USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 691 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 35 ASN : amide:sc= 0.811 K(o=1.8,f=-5.1!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ 177:sc= 0.971 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -173:sc= 1.27 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.76 K(o=1.8,f=-5.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 29 TYR OH : rot -99:sc= 1.24 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot -1:sc= -0.275 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0955) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -4:sc= 0.103 USER MOD Single : A 60 TYR OH : rot 174:sc= 1.35 USER MOD Single : A 61 GLN : amide:sc= 0.542 K(o=0.54,f=-4.8!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0.108 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.042) USER MOD Single : A 76 SER OG : rot -150:sc= -0.108 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -166:sc=-0.00474 (180deg=-0.18) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 85 LYS NZ :NH3+ -168:sc=-0.00829 (180deg=-0.154) USER MOD Single : A 90 ASN : amide:sc= -0.0342 K(o=-0.034,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 3.983 -11.743 -2.374 1.00 0.00 N ATOM 50 CA GLU A 4 3.657 -12.398 -1.110 1.00 0.00 C ATOM 51 C GLU A 4 2.664 -11.541 -0.332 1.00 0.00 C ATOM 52 O GLU A 4 2.605 -10.334 -0.539 1.00 0.00 O ATOM 53 CB GLU A 4 4.948 -12.631 -0.320 1.00 0.00 C ATOM 54 CG GLU A 4 4.775 -13.466 0.956 1.00 0.00 C ATOM 55 CD GLU A 4 6.124 -13.765 1.604 1.00 0.00 C ATOM 56 OE1 GLU A 4 6.870 -12.789 1.838 1.00 0.00 O ATOM 57 OE2 GLU A 4 6.387 -14.963 1.846 1.00 0.00 O ATOM 0 HA GLU A 4 3.189 -13.366 -1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.670 -13.127 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.373 -11.664 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.140 -12.930 1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.268 -14.401 0.717 1.00 0.00 H new ATOM 64 N ILE A 5 1.879 -12.165 0.548 1.00 0.00 N ATOM 65 CA ILE A 5 0.935 -11.475 1.416 1.00 0.00 C ATOM 66 C ILE A 5 1.682 -11.044 2.680 1.00 0.00 C ATOM 67 O ILE A 5 2.486 -11.818 3.196 1.00 0.00 O ATOM 68 CB ILE A 5 -0.261 -12.380 1.770 1.00 0.00 C ATOM 69 CG1 ILE A 5 -0.859 -13.119 0.556 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.380 -11.554 2.425 1.00 0.00 C ATOM 71 CD1 ILE A 5 -0.285 -14.527 0.362 1.00 0.00 C ATOM 0 H ILE A 5 1.884 -13.177 0.676 1.00 0.00 H new ATOM 0 HA ILE A 5 0.532 -10.603 0.902 1.00 0.00 H new ATOM 0 HB ILE A 5 0.133 -13.129 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.940 -13.188 0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.676 -12.532 -0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.218 -12.206 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.004 -11.090 3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.713 -10.779 1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.748 -14.992 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.792 -14.463 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.491 -15.129 1.247 1.00 0.00 H new ATOM 83 N ILE A 6 1.421 -9.838 3.189 1.00 0.00 N ATOM 84 CA ILE A 6 1.968 -9.366 4.453 1.00 0.00 C ATOM 85 C ILE A 6 0.920 -9.484 5.559 1.00 0.00 C ATOM 86 O ILE A 6 -0.282 -9.417 5.306 1.00 0.00 O ATOM 87 CB ILE A 6 2.516 -7.936 4.324 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.460 -6.914 3.868 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.728 -7.935 3.382 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.942 -5.467 4.008 1.00 0.00 C ATOM 0 H ILE A 6 0.817 -9.158 2.727 1.00 0.00 H new ATOM 0 HA ILE A 6 2.812 -9.999 4.726 1.00 0.00 H new ATOM 0 HB ILE A 6 2.821 -7.616 5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.199 -7.107 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.552 -7.049 4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.117 -6.921 3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.503 -8.586 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.426 -8.298 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.158 -4.788 3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.177 -5.261 5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.834 -5.320 3.399 1.00 0.00 H new ATOM 102 N ASP A 7 1.385 -9.667 6.795 1.00 0.00 N ATOM 103 CA ASP A 7 0.535 -9.781 7.965 1.00 0.00 C ATOM 104 C ASP A 7 -0.047 -8.409 8.274 1.00 0.00 C ATOM 105 O ASP A 7 0.694 -7.437 8.391 1.00 0.00 O ATOM 106 CB ASP A 7 1.349 -10.273 9.169 1.00 0.00 C ATOM 107 CG ASP A 7 1.955 -11.650 8.933 1.00 0.00 C ATOM 108 OD1 ASP A 7 3.066 -11.684 8.358 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.297 -12.638 9.323 1.00 0.00 O ATOM 0 H ASP A 7 2.380 -9.740 7.007 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.263 -10.497 7.768 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.145 -9.560 9.382 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.707 -10.307 10.049 1.00 0.00 H new ATOM 114 N ILE A 8 -1.365 -8.322 8.424 1.00 0.00 N ATOM 115 CA ILE A 8 -2.011 -7.144 8.960 1.00 0.00 C ATOM 116 C ILE A 8 -1.709 -7.070 10.461 1.00 0.00 C ATOM 117 O ILE A 8 -1.804 -8.070 11.168 1.00 0.00 O ATOM 118 CB ILE A 8 -3.520 -7.149 8.637 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.181 -8.508 8.336 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.761 -6.221 7.443 1.00 0.00 C ATOM 121 CD1 ILE A 8 -4.183 -9.467 9.532 1.00 0.00 C ATOM 0 H ILE A 8 -2.010 -9.072 8.175 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.619 -6.241 8.491 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.993 -6.820 9.562 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.209 -8.340 8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.660 -8.980 7.503 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.823 -6.211 7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.437 -5.211 7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.194 -6.579 6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.664 -10.403 9.247 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.157 -9.666 9.841 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.730 -9.015 10.360 1.00 0.00 H new ATOM 133 N GLY A 9 -1.298 -5.895 10.940 1.00 0.00 N ATOM 134 CA GLY A 9 -0.854 -5.675 12.304 1.00 0.00 C ATOM 135 C GLY A 9 -0.445 -4.208 12.432 1.00 0.00 C ATOM 136 O GLY A 9 -0.656 -3.456 11.479 1.00 0.00 O ATOM 0 H GLY A 9 -1.267 -5.051 10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.652 -5.912 13.008 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.014 -6.328 12.542 1.00 0.00 H new ATOM 140 N PRO A 10 0.150 -3.787 13.560 1.00 0.00 N ATOM 141 CA PRO A 10 0.458 -2.390 13.839 1.00 0.00 C ATOM 142 C PRO A 10 1.274 -1.731 12.723 1.00 0.00 C ATOM 143 O PRO A 10 0.956 -0.622 12.303 1.00 0.00 O ATOM 144 CB PRO A 10 1.168 -2.370 15.198 1.00 0.00 C ATOM 145 CG PRO A 10 1.610 -3.818 15.420 1.00 0.00 C ATOM 146 CD PRO A 10 0.548 -4.627 14.678 1.00 0.00 C ATOM 0 HA PRO A 10 -0.453 -1.792 13.878 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.021 -1.691 15.190 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.500 -2.033 15.990 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.607 -4.000 15.019 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.641 -4.071 16.480 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.948 -5.581 14.333 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.300 -4.852 15.324 1.00 0.00 H new ATOM 154 N PHE A 11 2.307 -2.414 12.219 1.00 0.00 N ATOM 155 CA PHE A 11 3.092 -1.966 11.074 1.00 0.00 C ATOM 156 C PHE A 11 2.178 -1.580 9.902 1.00 0.00 C ATOM 157 O PHE A 11 2.200 -0.460 9.393 1.00 0.00 O ATOM 158 CB PHE A 11 4.061 -3.087 10.670 1.00 0.00 C ATOM 159 CG PHE A 11 4.839 -2.818 9.397 1.00 0.00 C ATOM 160 CD1 PHE A 11 5.998 -2.022 9.435 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.399 -3.359 8.173 1.00 0.00 C ATOM 162 CE1 PHE A 11 6.724 -1.779 8.255 1.00 0.00 C ATOM 163 CE2 PHE A 11 5.127 -3.117 6.995 1.00 0.00 C ATOM 164 CZ PHE A 11 6.292 -2.328 7.037 1.00 0.00 C ATOM 0 H PHE A 11 2.622 -3.305 12.603 1.00 0.00 H new ATOM 0 HA PHE A 11 3.661 -1.077 11.347 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.767 -3.251 11.484 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.496 -4.011 10.547 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.331 -1.597 10.371 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.502 -3.960 8.140 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.615 -1.169 8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.792 -3.536 6.058 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.853 -2.145 6.133 1.00 0.00 H new ATOM 174 N THR A 12 1.356 -2.530 9.472 1.00 0.00 N ATOM 175 CA THR A 12 0.497 -2.409 8.314 1.00 0.00 C ATOM 176 C THR A 12 -0.548 -1.327 8.557 1.00 0.00 C ATOM 177 O THR A 12 -0.831 -0.516 7.677 1.00 0.00 O ATOM 178 CB THR A 12 -0.114 -3.787 8.050 1.00 0.00 C ATOM 179 OG1 THR A 12 0.826 -4.757 8.483 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.451 -3.978 6.572 1.00 0.00 C ATOM 0 H THR A 12 1.271 -3.433 9.939 1.00 0.00 H new ATOM 0 HA THR A 12 1.051 -2.100 7.427 1.00 0.00 H new ATOM 0 HB THR A 12 -1.052 -3.889 8.596 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.518 -5.650 8.223 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.883 -4.968 6.422 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.168 -3.218 6.261 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.457 -3.885 5.977 1.00 0.00 H new ATOM 188 N GLN A 13 -1.099 -1.287 9.771 1.00 0.00 N ATOM 189 CA GLN A 13 -2.005 -0.243 10.188 1.00 0.00 C ATOM 190 C GLN A 13 -1.327 1.119 10.066 1.00 0.00 C ATOM 191 O GLN A 13 -1.926 2.034 9.515 1.00 0.00 O ATOM 192 CB GLN A 13 -2.496 -0.530 11.607 1.00 0.00 C ATOM 193 CG GLN A 13 -3.488 -1.700 11.621 1.00 0.00 C ATOM 194 CD GLN A 13 -3.898 -2.056 13.044 1.00 0.00 C ATOM 195 OE1 GLN A 13 -3.131 -2.674 13.775 1.00 0.00 O ATOM 196 NE2 GLN A 13 -5.106 -1.677 13.451 1.00 0.00 N ATOM 0 H GLN A 13 -0.921 -1.988 10.490 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.879 -0.222 9.537 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.646 -0.762 12.249 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.973 0.360 12.017 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.372 -1.438 11.040 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.037 -2.569 11.141 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.720 -1.164 12.818 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.419 -1.899 14.396 1.00 0.00 H new ATOM 205 N ASN A 14 -0.082 1.258 10.532 1.00 0.00 N ATOM 206 CA ASN A 14 0.680 2.494 10.390 1.00 0.00 C ATOM 207 C ASN A 14 0.821 2.877 8.917 1.00 0.00 C ATOM 208 O ASN A 14 0.582 4.024 8.553 1.00 0.00 O ATOM 209 CB ASN A 14 2.055 2.368 11.057 1.00 0.00 C ATOM 210 CG ASN A 14 2.844 3.671 10.976 1.00 0.00 C ATOM 211 OD1 ASN A 14 2.287 4.756 11.096 1.00 0.00 O ATOM 212 ND2 ASN A 14 4.156 3.582 10.776 1.00 0.00 N ATOM 0 H ASN A 14 0.422 0.516 11.017 1.00 0.00 H new ATOM 0 HA ASN A 14 0.133 3.290 10.896 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.928 2.084 12.102 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.621 1.570 10.576 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.722 4.429 10.719 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.596 2.667 10.679 1.00 0.00 H new ATOM 219 N LEU A 15 1.185 1.922 8.054 1.00 0.00 N ATOM 220 CA LEU A 15 1.229 2.186 6.616 1.00 0.00 C ATOM 221 C LEU A 15 -0.138 2.642 6.095 1.00 0.00 C ATOM 222 O LEU A 15 -0.215 3.572 5.293 1.00 0.00 O ATOM 223 CB LEU A 15 1.735 0.975 5.820 1.00 0.00 C ATOM 224 CG LEU A 15 3.199 0.593 6.088 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.610 -0.478 5.071 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.158 1.782 5.954 1.00 0.00 C ATOM 0 H LEU A 15 1.449 0.974 8.323 1.00 0.00 H new ATOM 0 HA LEU A 15 1.943 2.996 6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.103 0.117 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.617 1.182 4.756 1.00 0.00 H new ATOM 0 HG LEU A 15 3.265 0.232 7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.648 -0.764 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.969 -1.352 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.506 -0.080 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.177 1.452 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.099 2.185 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.880 2.556 6.669 1.00 0.00 H new ATOM 238 N GLY A 16 -1.216 2.006 6.553 1.00 0.00 N ATOM 239 CA GLY A 16 -2.572 2.391 6.199 1.00 0.00 C ATOM 240 C GLY A 16 -2.834 3.839 6.600 1.00 0.00 C ATOM 241 O GLY A 16 -3.149 4.677 5.755 1.00 0.00 O ATOM 0 H GLY A 16 -1.167 1.205 7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.723 2.271 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.285 1.734 6.697 1.00 0.00 H new ATOM 245 N LYS A 17 -2.679 4.141 7.892 1.00 0.00 N ATOM 246 CA LYS A 17 -2.732 5.489 8.418 1.00 0.00 C ATOM 247 C LYS A 17 -1.945 6.466 7.544 1.00 0.00 C ATOM 248 O LYS A 17 -2.478 7.489 7.138 1.00 0.00 O ATOM 249 CB LYS A 17 -2.200 5.490 9.863 1.00 0.00 C ATOM 250 CG LYS A 17 -2.992 6.405 10.801 1.00 0.00 C ATOM 251 CD LYS A 17 -3.126 7.805 10.202 1.00 0.00 C ATOM 252 CE LYS A 17 -3.703 8.792 11.220 1.00 0.00 C ATOM 253 NZ LYS A 17 -3.887 10.127 10.625 1.00 0.00 N ATOM 0 H LYS A 17 -2.510 3.434 8.608 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.769 5.826 8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.226 4.472 10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.156 5.803 9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.981 5.984 10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.492 6.464 11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.150 8.154 9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.770 7.767 9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.659 8.421 11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.036 8.863 12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.279 10.774 11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.970 10.490 10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.542 10.061 9.820 1.00 0.00 H new ATOM 267 N PHE A 18 -0.683 6.150 7.259 1.00 0.00 N ATOM 268 CA PHE A 18 0.196 6.966 6.426 1.00 0.00 C ATOM 269 C PHE A 18 -0.433 7.219 5.061 1.00 0.00 C ATOM 270 O PHE A 18 -0.504 8.363 4.617 1.00 0.00 O ATOM 271 CB PHE A 18 1.581 6.314 6.292 1.00 0.00 C ATOM 272 CG PHE A 18 2.436 6.838 5.145 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.034 8.110 5.230 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.578 6.082 3.965 1.00 0.00 C ATOM 275 CE1 PHE A 18 3.807 8.600 4.161 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.355 6.573 2.897 1.00 0.00 C ATOM 277 CZ PHE A 18 3.985 7.824 3.002 1.00 0.00 C ATOM 0 H PHE A 18 -0.235 5.303 7.608 1.00 0.00 H new ATOM 0 HA PHE A 18 0.330 7.932 6.913 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.125 6.459 7.225 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.448 5.240 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.899 8.711 6.117 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.090 5.123 3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.265 9.576 4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.466 5.987 1.997 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.604 8.189 2.195 1.00 0.00 H new ATOM 287 N ALA A 19 -0.905 6.161 4.404 1.00 0.00 N ATOM 288 CA ALA A 19 -1.552 6.289 3.109 1.00 0.00 C ATOM 289 C ALA A 19 -2.718 7.269 3.204 1.00 0.00 C ATOM 290 O ALA A 19 -2.806 8.220 2.427 1.00 0.00 O ATOM 291 CB ALA A 19 -1.997 4.920 2.593 1.00 0.00 C ATOM 0 H ALA A 19 -0.849 5.204 4.753 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.838 6.688 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.479 5.036 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.128 4.270 2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.701 4.477 3.297 1.00 0.00 H new ATOM 297 N VAL A 20 -3.595 7.059 4.186 1.00 0.00 N ATOM 298 CA VAL A 20 -4.751 7.924 4.370 1.00 0.00 C ATOM 299 C VAL A 20 -4.304 9.351 4.692 1.00 0.00 C ATOM 300 O VAL A 20 -4.892 10.302 4.189 1.00 0.00 O ATOM 301 CB VAL A 20 -5.694 7.349 5.438 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.865 8.301 5.724 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.271 6.015 4.953 1.00 0.00 C ATOM 0 H VAL A 20 -3.524 6.299 4.862 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.316 7.967 3.439 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.114 7.213 6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.512 7.863 6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.479 9.255 6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.436 8.461 4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.939 5.610 5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.826 6.173 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.458 5.311 4.772 1.00 0.00 H new ATOM 313 N ASP A 21 -3.271 9.513 5.519 1.00 0.00 N ATOM 314 CA ASP A 21 -2.759 10.804 5.937 1.00 0.00 C ATOM 315 C ASP A 21 -2.237 11.581 4.730 1.00 0.00 C ATOM 316 O ASP A 21 -2.604 12.734 4.522 1.00 0.00 O ATOM 317 CB ASP A 21 -1.674 10.597 7.001 1.00 0.00 C ATOM 318 CG ASP A 21 -1.023 11.921 7.385 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.610 12.609 8.247 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.045 12.218 6.807 1.00 0.00 O ATOM 0 H ASP A 21 -2.760 8.728 5.922 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.559 11.398 6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.111 10.133 7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.916 9.911 6.623 1.00 0.00 H new ATOM 325 N GLU A 22 -1.394 10.939 3.924 1.00 0.00 N ATOM 326 CA GLU A 22 -0.811 11.518 2.726 1.00 0.00 C ATOM 327 C GLU A 22 -1.928 11.876 1.741 1.00 0.00 C ATOM 328 O GLU A 22 -1.977 12.990 1.217 1.00 0.00 O ATOM 329 CB GLU A 22 0.220 10.530 2.152 1.00 0.00 C ATOM 330 CG GLU A 22 1.095 11.156 1.058 1.00 0.00 C ATOM 331 CD GLU A 22 2.396 10.374 0.880 1.00 0.00 C ATOM 332 OE1 GLU A 22 2.357 9.335 0.187 1.00 0.00 O ATOM 333 OE2 GLU A 22 3.413 10.824 1.453 1.00 0.00 O ATOM 0 H GLU A 22 -1.093 9.979 4.094 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.282 12.445 2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.858 10.167 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.301 9.664 1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.547 11.175 0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.321 12.190 1.316 1.00 0.00 H new ATOM 340 N GLU A 23 -2.856 10.941 1.519 1.00 0.00 N ATOM 341 CA GLU A 23 -4.001 11.168 0.656 1.00 0.00 C ATOM 342 C GLU A 23 -4.798 12.380 1.142 1.00 0.00 C ATOM 343 O GLU A 23 -5.092 13.275 0.355 1.00 0.00 O ATOM 344 CB GLU A 23 -4.849 9.894 0.591 1.00 0.00 C ATOM 345 CG GLU A 23 -5.875 9.939 -0.546 1.00 0.00 C ATOM 346 CD GLU A 23 -7.108 10.772 -0.213 1.00 0.00 C ATOM 347 OE1 GLU A 23 -7.819 10.371 0.731 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.323 11.790 -0.907 1.00 0.00 O ATOM 0 H GLU A 23 -2.828 10.010 1.935 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.668 11.396 -0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.196 9.032 0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.367 9.755 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.400 10.346 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.186 8.922 -0.786 1.00 0.00 H new ATOM 355 N ASN A 24 -5.126 12.426 2.434 1.00 0.00 N ATOM 356 CA ASN A 24 -5.822 13.534 3.067 1.00 0.00 C ATOM 357 C ASN A 24 -5.045 14.830 2.859 1.00 0.00 C ATOM 358 O ASN A 24 -5.643 15.866 2.583 1.00 0.00 O ATOM 359 CB ASN A 24 -5.957 13.270 4.574 1.00 0.00 C ATOM 360 CG ASN A 24 -7.281 12.649 5.004 1.00 0.00 C ATOM 361 OD1 ASN A 24 -8.014 12.050 4.221 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.614 12.816 6.280 1.00 0.00 N ATOM 0 H ASN A 24 -4.906 11.670 3.082 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.811 13.627 2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.146 12.612 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.825 14.212 5.106 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.496 12.443 6.630 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.987 13.317 6.909 1.00 0.00 H new ATOM 369 N LYS A 25 -3.720 14.785 3.023 1.00 0.00 N ATOM 370 CA LYS A 25 -2.878 15.963 2.870 1.00 0.00 C ATOM 371 C LYS A 25 -3.014 16.537 1.456 1.00 0.00 C ATOM 372 O LYS A 25 -3.070 17.753 1.289 1.00 0.00 O ATOM 373 CB LYS A 25 -1.428 15.622 3.243 1.00 0.00 C ATOM 374 CG LYS A 25 -0.571 16.882 3.414 1.00 0.00 C ATOM 375 CD LYS A 25 0.816 16.495 3.941 1.00 0.00 C ATOM 376 CE LYS A 25 1.678 17.744 4.152 1.00 0.00 C ATOM 377 NZ LYS A 25 2.998 17.395 4.705 1.00 0.00 N ATOM 0 H LYS A 25 -3.209 13.936 3.264 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.208 16.744 3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.417 15.047 4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.993 14.989 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.477 17.402 2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.054 17.571 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.716 15.952 4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.305 15.823 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.805 18.266 3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.168 18.431 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.559 18.261 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.876 16.919 5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.493 16.759 4.048 1.00 0.00 H new ATOM 391 N ILE A 26 -3.086 15.670 0.439 1.00 0.00 N ATOM 392 CA ILE A 26 -3.403 16.099 -0.922 1.00 0.00 C ATOM 393 C ILE A 26 -4.859 16.590 -0.986 1.00 0.00 C ATOM 394 O ILE A 26 -5.145 17.620 -1.590 1.00 0.00 O ATOM 395 CB ILE A 26 -3.117 14.963 -1.926 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.618 14.602 -1.897 1.00 0.00 C ATOM 397 CG2 ILE A 26 -3.530 15.382 -3.347 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.295 13.330 -2.686 1.00 0.00 C ATOM 0 H ILE A 26 -2.928 14.667 0.536 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.762 16.935 -1.203 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.702 14.089 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.042 15.432 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.301 14.472 -0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.321 14.568 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.596 15.609 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.966 16.266 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.225 13.128 -2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.846 12.490 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.583 13.465 -3.728 1.00 0.00 H new ATOM 410 N GLY A 27 -5.781 15.833 -0.388 1.00 0.00 N ATOM 411 CA GLY A 27 -7.205 16.124 -0.346 1.00 0.00 C ATOM 412 C GLY A 27 -7.929 15.562 -1.566 1.00 0.00 C ATOM 413 O GLY A 27 -9.048 15.978 -1.867 1.00 0.00 O ATOM 0 H GLY A 27 -5.541 14.968 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.637 15.701 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.355 17.202 -0.298 1.00 0.00 H new ATOM 417 N GLN A 28 -7.308 14.612 -2.275 1.00 0.00 N ATOM 418 CA GLN A 28 -7.810 14.111 -3.548 1.00 0.00 C ATOM 419 C GLN A 28 -9.224 13.543 -3.402 1.00 0.00 C ATOM 420 O GLN A 28 -10.068 13.757 -4.267 1.00 0.00 O ATOM 421 CB GLN A 28 -6.830 13.076 -4.117 1.00 0.00 C ATOM 422 CG GLN A 28 -7.178 12.718 -5.568 1.00 0.00 C ATOM 423 CD GLN A 28 -6.143 11.777 -6.180 1.00 0.00 C ATOM 424 OE1 GLN A 28 -5.638 10.879 -5.517 1.00 0.00 O ATOM 425 NE2 GLN A 28 -5.812 11.975 -7.453 1.00 0.00 N ATOM 0 H GLN A 28 -6.439 14.171 -1.975 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.880 14.939 -4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.815 13.470 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.851 12.176 -3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.161 12.249 -5.602 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.239 13.629 -6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.248 12.730 -7.982 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.122 11.371 -7.900 1.00 0.00 H new ATOM 434 N TYR A 29 -9.475 12.837 -2.297 1.00 0.00 N ATOM 435 CA TYR A 29 -10.799 12.353 -1.916 1.00 0.00 C ATOM 436 C TYR A 29 -11.263 13.071 -0.644 1.00 0.00 C ATOM 437 O TYR A 29 -11.864 12.484 0.254 1.00 0.00 O ATOM 438 CB TYR A 29 -10.780 10.822 -1.782 1.00 0.00 C ATOM 439 CG TYR A 29 -11.253 10.075 -3.013 1.00 0.00 C ATOM 440 CD1 TYR A 29 -12.625 10.073 -3.323 1.00 0.00 C ATOM 441 CD2 TYR A 29 -10.365 9.292 -3.772 1.00 0.00 C ATOM 442 CE1 TYR A 29 -13.108 9.292 -4.385 1.00 0.00 C ATOM 443 CE2 TYR A 29 -10.859 8.462 -4.796 1.00 0.00 C ATOM 444 CZ TYR A 29 -12.230 8.474 -5.109 1.00 0.00 C ATOM 445 OH TYR A 29 -12.731 7.665 -6.082 1.00 0.00 O ATOM 0 H TYR A 29 -8.747 12.582 -1.630 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.528 12.585 -2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.764 10.503 -1.548 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.406 10.537 -0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.309 10.674 -2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.305 9.327 -3.569 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -14.156 9.322 -4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.186 7.817 -5.341 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.827 6.754 -5.733 1.00 0.00 H new ATOM 455 N GLY A 30 -11.011 14.376 -0.578 1.00 0.00 N ATOM 456 CA GLY A 30 -11.382 15.176 0.573 1.00 0.00 C ATOM 457 C GLY A 30 -10.614 14.714 1.810 1.00 0.00 C ATOM 458 O GLY A 30 -9.434 14.387 1.720 1.00 0.00 O ATOM 0 H GLY A 30 -10.546 14.901 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.171 16.227 0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.454 15.094 0.751 1.00 0.00 H new ATOM 462 N ARG A 31 -11.283 14.719 2.966 1.00 0.00 N ATOM 463 CA ARG A 31 -10.662 14.512 4.265 1.00 0.00 C ATOM 464 C ARG A 31 -11.332 13.321 4.956 1.00 0.00 C ATOM 465 O ARG A 31 -12.359 13.479 5.612 1.00 0.00 O ATOM 466 CB ARG A 31 -10.779 15.818 5.066 1.00 0.00 C ATOM 467 CG ARG A 31 -9.679 15.946 6.125 1.00 0.00 C ATOM 468 CD ARG A 31 -9.838 17.279 6.864 1.00 0.00 C ATOM 469 NE ARG A 31 -8.619 17.631 7.601 1.00 0.00 N ATOM 470 CZ ARG A 31 -8.430 18.803 8.225 1.00 0.00 C ATOM 471 NH1 ARG A 31 -9.428 19.691 8.310 1.00 0.00 N ATOM 472 NH2 ARG A 31 -7.236 19.083 8.756 1.00 0.00 N ATOM 0 H ARG A 31 -12.290 14.870 3.020 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.603 14.270 4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.726 16.667 4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.755 15.859 5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.739 15.117 6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.697 15.893 5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.073 18.067 6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.678 17.215 7.556 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.869 16.941 7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.337 19.478 7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.280 20.581 8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.475 18.407 8.685 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.085 19.973 9.232 1.00 0.00 H new ATOM 486 N LEU A 32 -10.766 12.124 4.791 1.00 0.00 N ATOM 487 CA LEU A 32 -11.244 10.920 5.458 1.00 0.00 C ATOM 488 C LEU A 32 -10.612 10.824 6.846 1.00 0.00 C ATOM 489 O LEU A 32 -9.979 11.759 7.336 1.00 0.00 O ATOM 490 CB LEU A 32 -10.931 9.688 4.594 1.00 0.00 C ATOM 491 CG LEU A 32 -11.589 9.778 3.206 1.00 0.00 C ATOM 492 CD1 LEU A 32 -10.520 9.964 2.127 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.401 8.514 2.902 1.00 0.00 C ATOM 0 H LEU A 32 -9.959 11.966 4.187 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.326 10.964 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.852 9.591 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.279 8.789 5.103 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.261 10.636 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.997 10.026 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.965 10.882 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.835 9.116 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.856 8.602 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.743 7.645 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.182 8.394 3.652 1.00 0.00 H new ATOM 505 N THR A 33 -10.780 9.684 7.507 1.00 0.00 N ATOM 506 CA THR A 33 -10.113 9.370 8.756 1.00 0.00 C ATOM 507 C THR A 33 -9.827 7.872 8.745 1.00 0.00 C ATOM 508 O THR A 33 -10.734 7.078 8.512 1.00 0.00 O ATOM 509 CB THR A 33 -11.023 9.792 9.914 1.00 0.00 C ATOM 510 OG1 THR A 33 -11.252 11.188 9.843 1.00 0.00 O ATOM 511 CG2 THR A 33 -10.412 9.472 11.282 1.00 0.00 C ATOM 0 H THR A 33 -11.397 8.941 7.179 1.00 0.00 H new ATOM 0 HA THR A 33 -9.170 9.903 8.878 1.00 0.00 H new ATOM 0 HB THR A 33 -11.953 9.231 9.817 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.835 11.462 10.581 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.095 9.790 12.069 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.241 8.398 11.362 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.464 9.999 11.389 1.00 0.00 H new ATOM 519 N PHE A 34 -8.565 7.483 8.931 1.00 0.00 N ATOM 520 CA PHE A 34 -8.163 6.085 8.904 1.00 0.00 C ATOM 521 C PHE A 34 -8.967 5.261 9.906 1.00 0.00 C ATOM 522 O PHE A 34 -9.218 5.724 11.017 1.00 0.00 O ATOM 523 CB PHE A 34 -6.670 5.990 9.208 1.00 0.00 C ATOM 524 CG PHE A 34 -6.172 4.590 9.485 1.00 0.00 C ATOM 525 CD1 PHE A 34 -5.938 3.706 8.419 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.966 4.161 10.809 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.402 2.436 8.673 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.385 2.907 11.058 1.00 0.00 C ATOM 529 CZ PHE A 34 -5.066 2.062 9.984 1.00 0.00 C ATOM 0 H PHE A 34 -7.797 8.131 9.104 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.361 5.678 7.912 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.114 6.399 8.364 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.448 6.618 10.071 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.170 4.004 7.407 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.255 4.796 11.634 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.247 1.744 7.859 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.184 2.594 12.072 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.562 1.124 10.166 1.00 0.00 H new ATOM 539 N ASN A 35 -9.348 4.046 9.504 1.00 0.00 N ATOM 540 CA ASN A 35 -10.051 3.096 10.358 1.00 0.00 C ATOM 541 C ASN A 35 -9.134 1.914 10.669 1.00 0.00 C ATOM 542 O ASN A 35 -8.766 1.702 11.821 1.00 0.00 O ATOM 543 CB ASN A 35 -11.360 2.649 9.688 1.00 0.00 C ATOM 544 CG ASN A 35 -12.504 2.554 10.692 1.00 0.00 C ATOM 545 OD1 ASN A 35 -12.764 1.494 11.249 1.00 0.00 O ATOM 546 ND2 ASN A 35 -13.214 3.653 10.924 1.00 0.00 N ATOM 0 H ASN A 35 -9.173 3.693 8.563 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.317 3.572 11.302 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.625 3.354 8.900 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.212 1.680 9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.996 3.626 11.579 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.977 4.523 10.447 1.00 0.00 H new ATOM 553 N LYS A 36 -8.760 1.147 9.637 1.00 0.00 N ATOM 554 CA LYS A 36 -7.848 0.005 9.750 1.00 0.00 C ATOM 555 C LYS A 36 -7.421 -0.451 8.353 1.00 0.00 C ATOM 556 O LYS A 36 -7.866 0.127 7.364 1.00 0.00 O ATOM 557 CB LYS A 36 -8.450 -1.147 10.580 1.00 0.00 C ATOM 558 CG LYS A 36 -9.792 -1.677 10.056 1.00 0.00 C ATOM 559 CD LYS A 36 -10.927 -1.292 11.009 1.00 0.00 C ATOM 560 CE LYS A 36 -12.287 -1.715 10.448 1.00 0.00 C ATOM 561 NZ LYS A 36 -13.378 -1.290 11.342 1.00 0.00 N ATOM 0 H LYS A 36 -9.089 1.306 8.685 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.961 0.326 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.735 -1.969 10.608 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.584 -0.806 11.607 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.988 -1.271 9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.747 -2.761 9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.768 -1.764 11.978 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.918 -0.215 11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.430 -1.278 9.460 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.313 -2.798 10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.293 -1.542 10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.280 -1.767 12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.333 -0.260 11.480 1.00 0.00 H new ATOM 575 N VAL A 37 -6.585 -1.490 8.263 1.00 0.00 N ATOM 576 CA VAL A 37 -6.259 -2.185 7.022 1.00 0.00 C ATOM 577 C VAL A 37 -6.777 -3.610 7.163 1.00 0.00 C ATOM 578 O VAL A 37 -6.702 -4.162 8.260 1.00 0.00 O ATOM 579 CB VAL A 37 -4.739 -2.182 6.780 1.00 0.00 C ATOM 580 CG1 VAL A 37 -4.385 -2.896 5.471 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.195 -0.755 6.715 1.00 0.00 C ATOM 0 H VAL A 37 -6.106 -1.878 9.075 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.720 -1.688 6.168 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.285 -2.710 7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.305 -2.878 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.728 -3.930 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.871 -2.389 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.119 -0.783 6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.679 -0.218 5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.399 -0.245 7.656 1.00 0.00 H new ATOM 591 N ILE A 38 -7.290 -4.199 6.078 1.00 0.00 N ATOM 592 CA ILE A 38 -7.691 -5.601 6.055 1.00 0.00 C ATOM 593 C ILE A 38 -7.199 -6.271 4.771 1.00 0.00 C ATOM 594 O ILE A 38 -6.750 -5.601 3.842 1.00 0.00 O ATOM 595 CB ILE A 38 -9.201 -5.774 6.324 1.00 0.00 C ATOM 596 CG1 ILE A 38 -10.132 -4.983 5.390 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.530 -5.373 7.770 1.00 0.00 C ATOM 598 CD1 ILE A 38 -10.229 -5.572 3.982 1.00 0.00 C ATOM 0 H ILE A 38 -7.437 -3.713 5.193 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.206 -6.123 6.880 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.390 -6.831 6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.129 -4.947 5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.776 -3.955 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.598 -5.499 7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.970 -6.005 8.459 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.256 -4.330 7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.902 -4.963 3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.240 -5.583 3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.614 -6.590 4.039 1.00 0.00 H new ATOM 610 N ARG A 39 -7.232 -7.605 4.759 1.00 0.00 N ATOM 611 CA ARG A 39 -6.710 -8.425 3.675 1.00 0.00 C ATOM 612 C ARG A 39 -7.526 -8.245 2.381 1.00 0.00 C ATOM 613 O ARG A 39 -8.691 -7.857 2.450 1.00 0.00 O ATOM 614 CB ARG A 39 -6.606 -9.894 4.140 1.00 0.00 C ATOM 615 CG ARG A 39 -7.841 -10.533 4.803 1.00 0.00 C ATOM 616 CD ARG A 39 -9.024 -10.751 3.852 1.00 0.00 C ATOM 617 NE ARG A 39 -10.070 -11.575 4.475 1.00 0.00 N ATOM 618 CZ ARG A 39 -10.056 -12.913 4.574 1.00 0.00 C ATOM 619 NH1 ARG A 39 -9.011 -13.618 4.129 1.00 0.00 N ATOM 620 NH2 ARG A 39 -11.100 -13.541 5.127 1.00 0.00 N ATOM 0 H ARG A 39 -7.632 -8.153 5.521 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.703 -8.092 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.341 -10.500 3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.776 -9.963 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.553 -11.493 5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.165 -9.899 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.443 -9.787 3.563 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.675 -11.233 2.939 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.876 -11.087 4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.214 -13.139 3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.010 -14.635 4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.896 -13.003 5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.099 -14.558 5.207 1.00 0.00 H new ATOM 634 N PRO A 40 -6.968 -8.558 1.198 1.00 0.00 N ATOM 635 CA PRO A 40 -5.573 -8.894 0.943 1.00 0.00 C ATOM 636 C PRO A 40 -4.655 -7.681 1.122 1.00 0.00 C ATOM 637 O PRO A 40 -5.067 -6.531 0.968 1.00 0.00 O ATOM 638 CB PRO A 40 -5.537 -9.405 -0.500 1.00 0.00 C ATOM 639 CG PRO A 40 -6.704 -8.672 -1.160 1.00 0.00 C ATOM 640 CD PRO A 40 -7.736 -8.627 -0.034 1.00 0.00 C ATOM 0 HA PRO A 40 -5.210 -9.641 1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.589 -9.173 -0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.663 -10.487 -0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.421 -7.673 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.078 -9.206 -2.034 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.391 -7.762 -0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.372 -9.512 -0.050 1.00 0.00 H new ATOM 648 N CYS A 41 -3.395 -7.957 1.468 1.00 0.00 N ATOM 649 CA CYS A 41 -2.337 -6.975 1.605 1.00 0.00 C ATOM 650 C CYS A 41 -1.111 -7.628 0.986 1.00 0.00 C ATOM 651 O CYS A 41 -0.526 -8.509 1.612 1.00 0.00 O ATOM 652 CB CYS A 41 -2.094 -6.654 3.081 1.00 0.00 C ATOM 653 SG CYS A 41 -3.575 -5.958 3.846 1.00 0.00 S ATOM 0 H CYS A 41 -3.081 -8.907 1.666 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.585 -6.032 1.118 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.799 -7.560 3.610 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.268 -5.949 3.172 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.516 -5.854 2.955 1.00 0.00 H new ATOM 659 N MET A 42 -0.779 -7.274 -0.259 1.00 0.00 N ATOM 660 CA MET A 42 0.202 -7.991 -1.059 1.00 0.00 C ATOM 661 C MET A 42 1.386 -7.098 -1.422 1.00 0.00 C ATOM 662 O MET A 42 1.226 -5.909 -1.686 1.00 0.00 O ATOM 663 CB MET A 42 -0.475 -8.598 -2.295 1.00 0.00 C ATOM 664 CG MET A 42 0.024 -10.026 -2.531 1.00 0.00 C ATOM 665 SD MET A 42 -0.621 -10.834 -4.014 1.00 0.00 S ATOM 666 CE MET A 42 0.068 -12.486 -3.769 1.00 0.00 C ATOM 0 H MET A 42 -1.191 -6.474 -0.739 1.00 0.00 H new ATOM 0 HA MET A 42 0.610 -8.810 -0.467 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.557 -8.602 -2.160 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.265 -7.984 -3.171 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.112 -10.008 -2.591 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.237 -10.633 -1.664 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.229 -13.130 -4.597 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.156 -12.424 -3.729 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.306 -12.901 -2.833 1.00 0.00 H new ATOM 676 N LYS A 43 2.575 -7.695 -1.421 1.00 0.00 N ATOM 677 CA LYS A 43 3.878 -7.065 -1.529 1.00 0.00 C ATOM 678 C LYS A 43 4.601 -7.620 -2.757 1.00 0.00 C ATOM 679 O LYS A 43 4.479 -8.815 -3.025 1.00 0.00 O ATOM 680 CB LYS A 43 4.621 -7.382 -0.221 1.00 0.00 C ATOM 681 CG LYS A 43 6.143 -7.484 -0.343 1.00 0.00 C ATOM 682 CD LYS A 43 6.730 -7.712 1.055 1.00 0.00 C ATOM 683 CE LYS A 43 8.121 -8.336 0.960 1.00 0.00 C ATOM 684 NZ LYS A 43 8.064 -9.761 0.579 1.00 0.00 N ATOM 0 H LYS A 43 2.653 -8.709 -1.338 1.00 0.00 H new ATOM 0 HA LYS A 43 3.815 -5.985 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.382 -6.609 0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.241 -8.324 0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.415 -8.305 -1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.550 -6.572 -0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.787 -6.764 1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.072 -8.364 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.714 -7.789 0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.629 -8.237 1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.983 -10.208 0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.325 -10.239 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.844 -9.841 -0.434 1.00 0.00 H new ATOM 698 N LYS A 44 5.358 -6.769 -3.465 1.00 0.00 N ATOM 699 CA LYS A 44 6.145 -7.109 -4.649 1.00 0.00 C ATOM 700 C LYS A 44 7.441 -6.290 -4.674 1.00 0.00 C ATOM 701 O LYS A 44 7.467 -5.148 -4.217 1.00 0.00 O ATOM 702 CB LYS A 44 5.299 -6.805 -5.891 1.00 0.00 C ATOM 703 CG LYS A 44 5.934 -7.152 -7.246 1.00 0.00 C ATOM 704 CD LYS A 44 6.183 -8.656 -7.413 1.00 0.00 C ATOM 705 CE LYS A 44 6.513 -8.970 -8.877 1.00 0.00 C ATOM 706 NZ LYS A 44 6.538 -10.421 -9.131 1.00 0.00 N ATOM 0 H LYS A 44 5.439 -5.784 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 44 6.413 -8.165 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.357 -7.347 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.056 -5.742 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.283 -6.804 -8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.879 -6.618 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.005 -8.971 -6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.302 -9.216 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.774 -8.500 -9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.481 -8.539 -9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.764 -10.595 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.261 -10.866 -8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.607 -10.828 -8.911 1.00 0.00 H new ATOM 720 N THR A 45 8.513 -6.870 -5.223 1.00 0.00 N ATOM 721 CA THR A 45 9.813 -6.241 -5.425 1.00 0.00 C ATOM 722 C THR A 45 9.803 -5.381 -6.699 1.00 0.00 C ATOM 723 O THR A 45 9.339 -5.862 -7.732 1.00 0.00 O ATOM 724 CB THR A 45 10.854 -7.366 -5.572 1.00 0.00 C ATOM 725 OG1 THR A 45 10.444 -8.547 -4.893 1.00 0.00 O ATOM 726 CG2 THR A 45 12.227 -6.927 -5.062 1.00 0.00 C ATOM 0 H THR A 45 8.492 -7.835 -5.552 1.00 0.00 H new ATOM 0 HA THR A 45 10.051 -5.594 -4.581 1.00 0.00 H new ATOM 0 HB THR A 45 10.932 -7.586 -6.637 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.125 -9.243 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.938 -7.745 -5.181 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.568 -6.064 -5.633 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.155 -6.659 -4.008 1.00 0.00 H new ATOM 734 N ILE A 46 10.337 -4.152 -6.653 1.00 0.00 N ATOM 735 CA ILE A 46 10.452 -3.248 -7.801 1.00 0.00 C ATOM 736 C ILE A 46 11.928 -3.035 -8.184 1.00 0.00 C ATOM 737 O ILE A 46 12.768 -2.692 -7.347 1.00 0.00 O ATOM 738 CB ILE A 46 9.655 -1.950 -7.543 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.386 -1.878 -8.412 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.451 -0.655 -7.769 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.387 -3.005 -8.123 1.00 0.00 C ATOM 0 H ILE A 46 10.710 -3.751 -5.793 1.00 0.00 H new ATOM 0 HA ILE A 46 9.995 -3.702 -8.681 1.00 0.00 H new ATOM 0 HB ILE A 46 9.402 -2.009 -6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.897 -0.918 -8.249 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.672 -1.916 -9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.813 0.205 -7.565 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.311 -0.635 -7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.794 -0.615 -8.803 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.516 -2.894 -8.770 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.860 -3.968 -8.313 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.073 -2.955 -7.080 1.00 0.00 H new ATOM 753 N TYR A 47 12.238 -3.256 -9.467 1.00 0.00 N ATOM 754 CA TYR A 47 13.579 -3.177 -10.033 1.00 0.00 C ATOM 755 C TYR A 47 13.759 -1.925 -10.891 1.00 0.00 C ATOM 756 O TYR A 47 12.787 -1.298 -11.311 1.00 0.00 O ATOM 757 CB TYR A 47 13.865 -4.429 -10.877 1.00 0.00 C ATOM 758 CG TYR A 47 14.343 -5.635 -10.090 1.00 0.00 C ATOM 759 CD1 TYR A 47 13.455 -6.355 -9.270 1.00 0.00 C ATOM 760 CD2 TYR A 47 15.681 -6.053 -10.206 1.00 0.00 C ATOM 761 CE1 TYR A 47 13.910 -7.486 -8.566 1.00 0.00 C ATOM 762 CE2 TYR A 47 16.137 -7.175 -9.496 1.00 0.00 C ATOM 763 CZ TYR A 47 15.250 -7.894 -8.681 1.00 0.00 C ATOM 764 OH TYR A 47 15.704 -8.977 -7.988 1.00 0.00 O ATOM 0 H TYR A 47 11.532 -3.503 -10.160 1.00 0.00 H new ATOM 0 HA TYR A 47 14.285 -3.120 -9.205 1.00 0.00 H new ATOM 0 HB2 TYR A 47 12.957 -4.701 -11.415 1.00 0.00 H new ATOM 0 HB3 TYR A 47 14.617 -4.181 -11.626 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.426 -6.040 -9.181 1.00 0.00 H new ATOM 0 HD2 TYR A 47 16.361 -5.508 -10.844 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.229 -8.040 -7.937 1.00 0.00 H new ATOM 0 HE2 TYR A 47 17.169 -7.484 -9.577 1.00 0.00 H new ATOM 0 HH TYR A 47 16.653 -9.118 -8.186 1.00 0.00 H new ATOM 884 N ILE A 55 17.301 -4.142 -7.596 1.00 0.00 N ATOM 885 CA ILE A 55 16.150 -3.758 -6.794 1.00 0.00 C ATOM 886 C ILE A 55 16.263 -2.262 -6.499 1.00 0.00 C ATOM 887 O ILE A 55 17.233 -1.841 -5.871 1.00 0.00 O ATOM 888 CB ILE A 55 16.104 -4.594 -5.500 1.00 0.00 C ATOM 889 CG1 ILE A 55 15.935 -6.085 -5.848 1.00 0.00 C ATOM 890 CG2 ILE A 55 14.952 -4.115 -4.601 1.00 0.00 C ATOM 891 CD1 ILE A 55 16.106 -7.015 -4.644 1.00 0.00 C ATOM 0 HA ILE A 55 15.220 -3.949 -7.330 1.00 0.00 H new ATOM 0 HB ILE A 55 17.040 -4.465 -4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.946 -6.240 -6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.662 -6.356 -6.613 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.929 -4.713 -3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.103 -3.067 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.006 -4.226 -5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.974 -8.049 -4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.104 -6.889 -4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.361 -6.770 -3.886 1.00 0.00 H new ATOM 903 N LYS A 56 15.289 -1.464 -6.943 1.00 0.00 N ATOM 904 CA LYS A 56 15.233 -0.045 -6.610 1.00 0.00 C ATOM 905 C LYS A 56 14.307 0.173 -5.413 1.00 0.00 C ATOM 906 O LYS A 56 14.459 1.144 -4.672 1.00 0.00 O ATOM 907 CB LYS A 56 14.764 0.788 -7.812 1.00 0.00 C ATOM 908 CG LYS A 56 15.393 2.191 -7.742 1.00 0.00 C ATOM 909 CD LYS A 56 14.573 3.261 -8.474 1.00 0.00 C ATOM 910 CE LYS A 56 13.469 3.812 -7.564 1.00 0.00 C ATOM 911 NZ LYS A 56 12.735 4.912 -8.214 1.00 0.00 N ATOM 0 H LYS A 56 14.525 -1.783 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 56 16.238 0.286 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.049 0.296 -8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.677 0.865 -7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.504 2.480 -6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 56 16.395 2.154 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.227 4.072 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.130 2.835 -9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.775 3.012 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.908 4.167 -6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.995 5.263 -7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.394 5.685 -8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.297 4.566 -9.091 1.00 0.00 H new ATOM 925 N GLY A 57 13.317 -0.702 -5.230 1.00 0.00 N ATOM 926 CA GLY A 57 12.320 -0.497 -4.203 1.00 0.00 C ATOM 927 C GLY A 57 11.344 -1.660 -4.164 1.00 0.00 C ATOM 928 O GLY A 57 11.649 -2.757 -4.628 1.00 0.00 O ATOM 0 H GLY A 57 13.193 -1.551 -5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.806 -0.391 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.781 0.431 -4.393 1.00 0.00 H new ATOM 932 N TYR A 58 10.166 -1.413 -3.598 1.00 0.00 N ATOM 933 CA TYR A 58 9.116 -2.392 -3.403 1.00 0.00 C ATOM 934 C TYR A 58 7.779 -1.675 -3.558 1.00 0.00 C ATOM 935 O TYR A 58 7.722 -0.454 -3.403 1.00 0.00 O ATOM 936 CB TYR A 58 9.231 -2.997 -1.999 1.00 0.00 C ATOM 937 CG TYR A 58 10.647 -3.321 -1.547 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.448 -2.312 -0.977 1.00 0.00 C ATOM 939 CD2 TYR A 58 11.219 -4.568 -1.856 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.825 -2.522 -0.784 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.591 -4.786 -1.641 1.00 0.00 C ATOM 942 CZ TYR A 58 13.399 -3.755 -1.135 1.00 0.00 C ATOM 943 OH TYR A 58 14.740 -3.957 -0.992 1.00 0.00 O ATOM 0 H TYR A 58 9.913 -0.488 -3.251 1.00 0.00 H new ATOM 0 HA TYR A 58 9.199 -3.198 -4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.789 -2.303 -1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.638 -3.911 -1.965 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.002 -1.372 -0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.604 -5.359 -2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.439 -1.738 -0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.025 -5.749 -1.866 1.00 0.00 H new ATOM 0 HH TYR A 58 15.166 -3.126 -0.695 1.00 0.00 H new ATOM 953 N GLU A 59 6.725 -2.443 -3.834 1.00 0.00 N ATOM 954 CA GLU A 59 5.337 -1.999 -3.867 1.00 0.00 C ATOM 955 C GLU A 59 4.520 -2.871 -2.919 1.00 0.00 C ATOM 956 O GLU A 59 4.691 -4.090 -2.918 1.00 0.00 O ATOM 957 CB GLU A 59 4.773 -2.079 -5.292 1.00 0.00 C ATOM 958 CG GLU A 59 5.222 -0.864 -6.113 1.00 0.00 C ATOM 959 CD GLU A 59 4.704 -0.875 -7.549 1.00 0.00 C ATOM 960 OE1 GLU A 59 3.750 -1.638 -7.823 1.00 0.00 O ATOM 961 OE2 GLU A 59 5.267 -0.109 -8.359 1.00 0.00 O ATOM 0 H GLU A 59 6.823 -3.435 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 59 5.282 -0.958 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.112 -2.996 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.684 -2.120 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.880 0.045 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.311 -0.828 -6.128 1.00 0.00 H new ATOM 968 N TYR A 60 3.653 -2.242 -2.123 1.00 0.00 N ATOM 969 CA TYR A 60 2.752 -2.876 -1.177 1.00 0.00 C ATOM 970 C TYR A 60 1.338 -2.386 -1.489 1.00 0.00 C ATOM 971 O TYR A 60 1.007 -1.234 -1.204 1.00 0.00 O ATOM 972 CB TYR A 60 3.149 -2.508 0.260 1.00 0.00 C ATOM 973 CG TYR A 60 4.634 -2.555 0.581 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.410 -3.671 0.221 1.00 0.00 C ATOM 975 CD2 TYR A 60 5.238 -1.478 1.257 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.783 -3.702 0.513 1.00 0.00 C ATOM 977 CE2 TYR A 60 6.604 -1.526 1.582 1.00 0.00 C ATOM 978 CZ TYR A 60 7.379 -2.634 1.200 1.00 0.00 C ATOM 979 OH TYR A 60 8.709 -2.686 1.487 1.00 0.00 O ATOM 0 H TYR A 60 3.561 -1.226 -2.126 1.00 0.00 H new ATOM 0 HA TYR A 60 2.802 -3.961 -1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.786 -1.502 0.468 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.630 -3.182 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.948 -4.508 -0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.650 -0.613 1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.381 -4.549 0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.059 -0.711 2.126 1.00 0.00 H new ATOM 0 HH TYR A 60 8.992 -1.835 1.881 1.00 0.00 H new ATOM 989 N GLN A 61 0.513 -3.247 -2.083 1.00 0.00 N ATOM 990 CA GLN A 61 -0.882 -2.976 -2.371 1.00 0.00 C ATOM 991 C GLN A 61 -1.733 -3.522 -1.228 1.00 0.00 C ATOM 992 O GLN A 61 -1.629 -4.703 -0.901 1.00 0.00 O ATOM 993 CB GLN A 61 -1.274 -3.563 -3.733 1.00 0.00 C ATOM 994 CG GLN A 61 -0.892 -5.034 -3.972 1.00 0.00 C ATOM 995 CD GLN A 61 -1.549 -5.590 -5.235 1.00 0.00 C ATOM 996 OE1 GLN A 61 -2.281 -4.892 -5.928 1.00 0.00 O ATOM 997 NE2 GLN A 61 -1.331 -6.863 -5.549 1.00 0.00 N ATOM 0 H GLN A 61 0.811 -4.175 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.054 -1.902 -2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.353 -3.465 -3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.812 -2.958 -4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.191 -5.120 -4.057 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.192 -5.632 -3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.720 -7.435 -4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.774 -7.268 -6.373 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.560 -2.684 -0.599 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.367 -3.102 0.537 1.00 0.00 C ATOM 1008 C LEU A 62 -4.699 -2.364 0.562 1.00 0.00 C ATOM 1009 O LEU A 62 -4.821 -1.267 0.016 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.563 -2.986 1.845 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.871 -1.635 2.117 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.825 -0.589 2.705 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.729 -1.861 3.117 1.00 0.00 C ATOM 0 H LEU A 62 -2.685 -1.707 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.619 -4.157 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.235 -3.197 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.800 -3.765 1.845 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.507 -1.256 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.284 0.342 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.643 -0.410 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.227 -0.954 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.230 -0.913 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.133 -2.264 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.012 -2.566 2.697 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.708 -2.998 1.161 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.041 -2.456 1.287 1.00 0.00 C ATOM 1027 C TYR A 63 -7.188 -1.771 2.645 1.00 0.00 C ATOM 1028 O TYR A 63 -7.302 -2.434 3.680 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.049 -3.585 1.094 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.403 -3.855 -0.352 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -9.104 -2.889 -1.098 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -8.055 -5.076 -0.950 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -9.520 -3.178 -2.406 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -8.517 -5.386 -2.241 1.00 0.00 C ATOM 1035 CZ TYR A 63 -9.276 -4.446 -2.958 1.00 0.00 C ATOM 1036 OH TYR A 63 -9.591 -4.673 -4.264 1.00 0.00 O ATOM 0 H TYR A 63 -5.608 -3.923 1.578 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.229 -1.701 0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.646 -4.497 1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.960 -3.342 1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.322 -1.925 -0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.431 -5.779 -0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.028 -2.425 -2.989 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.289 -6.346 -2.681 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.363 -5.596 -4.500 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.176 -0.437 2.626 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.308 0.400 3.804 1.00 0.00 C ATOM 1048 C VAL A 64 -8.757 0.868 3.945 1.00 0.00 C ATOM 1049 O VAL A 64 -9.319 1.446 3.016 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.275 1.543 3.768 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.351 2.449 2.531 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -6.385 2.399 5.031 1.00 0.00 C ATOM 0 H VAL A 64 -7.071 0.098 1.764 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.082 -0.171 4.705 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.307 1.044 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.585 3.222 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.188 1.853 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.334 2.916 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.649 3.202 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.386 2.826 5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.199 1.779 5.908 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.369 0.610 5.102 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.647 1.170 5.475 1.00 0.00 C ATOM 1064 C TYR A 65 -10.402 2.593 5.971 1.00 0.00 C ATOM 1065 O TYR A 65 -9.717 2.794 6.979 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.299 0.314 6.569 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.315 -0.703 6.090 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.459 -0.261 5.398 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -12.216 -2.052 6.479 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.465 -1.170 5.037 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -13.244 -2.954 6.154 1.00 0.00 C ATOM 1072 CZ TYR A 65 -14.359 -2.518 5.418 1.00 0.00 C ATOM 1073 OH TYR A 65 -15.338 -3.405 5.085 1.00 0.00 O ATOM 0 H TYR A 65 -8.974 -0.007 5.812 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.326 1.185 4.622 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.512 -0.213 7.110 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.786 0.979 7.282 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.563 0.784 5.144 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.351 -2.394 7.027 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.319 -0.834 4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.177 -3.984 6.471 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.104 -4.293 5.426 1.00 0.00 H new ATOM 1083 N ALA A 66 -10.974 3.567 5.260 1.00 0.00 N ATOM 1084 CA ALA A 66 -10.913 4.979 5.583 1.00 0.00 C ATOM 1085 C ALA A 66 -12.343 5.502 5.737 1.00 0.00 C ATOM 1086 O ALA A 66 -13.181 5.334 4.849 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.149 5.715 4.481 1.00 0.00 C ATOM 0 H ALA A 66 -11.511 3.378 4.413 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.382 5.147 6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.100 6.778 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.139 5.313 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.663 5.580 3.529 1.00 0.00 H new ATOM 1093 N SER A 67 -12.636 6.070 6.907 1.00 0.00 N ATOM 1094 CA SER A 67 -13.916 6.521 7.435 1.00 0.00 C ATOM 1095 C SER A 67 -14.747 5.293 7.792 1.00 0.00 C ATOM 1096 O SER A 67 -15.076 5.052 8.950 1.00 0.00 O ATOM 1097 CB SER A 67 -14.620 7.488 6.469 1.00 0.00 C ATOM 1098 OG SER A 67 -15.679 8.157 7.127 1.00 0.00 O ATOM 0 H SER A 67 -11.892 6.243 7.583 1.00 0.00 H new ATOM 0 HA SER A 67 -13.767 7.104 8.344 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.904 8.215 6.086 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.006 6.938 5.611 1.00 0.00 H new ATOM 0 HG SER A 67 -16.117 8.771 6.501 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.005 4.502 6.758 1.00 0.00 N ATOM 1105 CA ASP A 68 -15.799 3.286 6.719 1.00 0.00 C ATOM 1106 C ASP A 68 -15.782 2.637 5.324 1.00 0.00 C ATOM 1107 O ASP A 68 -16.441 1.617 5.138 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.250 3.581 7.130 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.026 4.364 6.071 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.496 5.398 5.612 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.138 3.907 5.728 1.00 0.00 O ATOM 0 H ASP A 68 -14.625 4.720 5.837 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.353 2.586 7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.764 2.640 7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.250 4.145 8.063 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.078 3.213 4.338 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.060 2.730 2.963 1.00 0.00 C ATOM 1118 C LYS A 69 -13.671 2.171 2.671 1.00 0.00 C ATOM 1119 O LYS A 69 -12.677 2.683 3.185 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.412 3.867 1.989 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.858 3.794 1.478 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.884 4.007 2.597 1.00 0.00 C ATOM 1123 CE LYS A 69 -19.324 3.796 2.115 1.00 0.00 C ATOM 1124 NZ LYS A 69 -19.690 4.720 1.027 1.00 0.00 N ATOM 0 H LYS A 69 -14.499 4.040 4.483 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.805 1.946 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.256 4.825 2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.730 3.834 1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.006 4.548 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -17.028 2.823 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.673 3.319 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.781 5.017 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.443 2.768 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.009 3.934 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.700 4.610 0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.506 5.699 1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.123 4.504 0.182 1.00 0.00 H new ATOM 1138 N LEU A 70 -13.614 1.102 1.876 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.392 0.366 1.607 1.00 0.00 C ATOM 1140 C LEU A 70 -11.733 0.931 0.348 1.00 0.00 C ATOM 1141 O LEU A 70 -12.367 0.959 -0.705 1.00 0.00 O ATOM 1142 CB LEU A 70 -12.751 -1.119 1.452 1.00 0.00 C ATOM 1143 CG LEU A 70 -11.542 -2.046 1.635 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.186 -2.187 3.120 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -11.881 -3.428 1.061 1.00 0.00 C ATOM 0 H LEU A 70 -14.431 0.723 1.397 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.678 0.466 2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.517 -1.381 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.182 -1.283 0.464 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.687 -1.618 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.326 -2.848 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.943 -1.207 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.035 -2.606 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.027 -4.094 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.742 -3.839 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.115 -3.334 0.001 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.481 1.384 0.446 1.00 0.00 N ATOM 1158 CA PHE A 71 -9.707 1.909 -0.673 1.00 0.00 C ATOM 1159 C PHE A 71 -8.472 1.040 -0.879 1.00 0.00 C ATOM 1160 O PHE A 71 -7.860 0.591 0.089 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.288 3.355 -0.398 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.434 4.348 -0.419 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.218 4.543 0.733 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.651 5.146 -1.557 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.197 5.551 0.756 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.594 6.186 -1.516 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.371 6.386 -0.362 1.00 0.00 C ATOM 0 H PHE A 71 -9.968 1.395 1.328 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.321 1.893 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -8.800 3.401 0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -8.548 3.655 -1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.067 3.917 1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.092 4.959 -2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -12.815 5.684 1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.722 6.832 -2.372 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.102 7.181 -0.334 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.110 0.815 -2.141 1.00 0.00 N ATOM 1178 CA ARG A 72 -6.918 0.091 -2.544 1.00 0.00 C ATOM 1179 C ARG A 72 -5.763 1.089 -2.594 1.00 0.00 C ATOM 1180 O ARG A 72 -5.686 1.890 -3.527 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.174 -0.537 -3.922 1.00 0.00 C ATOM 1182 CG ARG A 72 -6.075 -1.510 -4.367 1.00 0.00 C ATOM 1183 CD ARG A 72 -6.090 -2.787 -3.518 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.402 -3.895 -4.188 1.00 0.00 N ATOM 1185 CZ ARG A 72 -5.845 -4.542 -5.279 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -7.123 -4.457 -5.668 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -4.995 -5.276 -6.002 1.00 0.00 N ATOM 0 H ARG A 72 -8.661 1.145 -2.933 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.670 -0.707 -1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.128 -1.064 -3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.266 0.257 -4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.216 -1.766 -5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.102 -1.026 -4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.613 -2.591 -2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.121 -3.073 -3.309 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.513 -4.200 -3.793 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.783 -3.892 -5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.437 -4.957 -6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.016 -5.343 -5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.325 -5.770 -6.831 1.00 0.00 H new ATOM 1201 N ALA A 73 -4.879 1.057 -1.595 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.712 1.921 -1.524 1.00 0.00 C ATOM 1203 C ALA A 73 -2.483 1.115 -1.931 1.00 0.00 C ATOM 1204 O ALA A 73 -2.242 0.048 -1.364 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.559 2.461 -0.100 1.00 0.00 C ATOM 0 H ALA A 73 -4.960 0.419 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.825 2.768 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.684 3.108 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.448 3.031 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.436 1.629 0.593 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.709 1.621 -2.897 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.393 1.098 -3.232 1.00 0.00 C ATOM 1213 C ASP A 74 0.661 2.029 -2.654 1.00 0.00 C ATOM 1214 O ASP A 74 0.876 3.126 -3.170 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.209 0.940 -4.739 1.00 0.00 C ATOM 1216 CG ASP A 74 1.228 0.538 -5.073 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.716 -0.426 -4.444 1.00 0.00 O ATOM 1218 OD2 ASP A 74 1.819 1.209 -5.946 1.00 0.00 O ATOM 0 H ASP A 74 -1.989 2.416 -3.472 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.289 0.103 -2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.899 0.186 -5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.455 1.876 -5.240 1.00 0.00 H new ATOM 1223 N ILE A 75 1.313 1.569 -1.592 1.00 0.00 N ATOM 1224 CA ILE A 75 2.423 2.252 -0.959 1.00 0.00 C ATOM 1225 C ILE A 75 3.677 1.655 -1.581 1.00 0.00 C ATOM 1226 O ILE A 75 3.865 0.443 -1.511 1.00 0.00 O ATOM 1227 CB ILE A 75 2.402 2.051 0.570 1.00 0.00 C ATOM 1228 CG1 ILE A 75 1.127 2.614 1.228 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.621 2.750 1.192 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -0.055 1.638 1.191 1.00 0.00 C ATOM 0 H ILE A 75 1.074 0.687 -1.139 1.00 0.00 H new ATOM 0 HA ILE A 75 2.375 3.329 -1.117 1.00 0.00 H new ATOM 0 HB ILE A 75 2.425 0.976 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.345 2.871 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.843 3.537 0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.609 2.610 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.535 2.322 0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.585 3.815 0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.920 2.096 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.298 1.400 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.212 0.724 1.721 1.00 0.00 H new ATOM 1242 N SER A 76 4.531 2.480 -2.186 1.00 0.00 N ATOM 1243 CA SER A 76 5.842 2.029 -2.622 1.00 0.00 C ATOM 1244 C SER A 76 6.855 2.388 -1.546 1.00 0.00 C ATOM 1245 O SER A 76 6.611 3.309 -0.766 1.00 0.00 O ATOM 1246 CB SER A 76 6.204 2.638 -3.977 1.00 0.00 C ATOM 1247 OG SER A 76 5.162 2.391 -4.897 1.00 0.00 O ATOM 0 H SER A 76 4.334 3.461 -2.383 1.00 0.00 H new ATOM 0 HA SER A 76 5.841 0.948 -2.761 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.366 3.711 -3.874 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.136 2.209 -4.343 1.00 0.00 H new ATOM 0 HG SER A 76 5.533 2.327 -5.802 1.00 0.00 H new ATOM 1253 N GLU A 77 7.978 1.666 -1.519 1.00 0.00 N ATOM 1254 CA GLU A 77 9.127 1.949 -0.677 1.00 0.00 C ATOM 1255 C GLU A 77 10.364 1.969 -1.568 1.00 0.00 C ATOM 1256 O GLU A 77 10.612 1.000 -2.281 1.00 0.00 O ATOM 1257 CB GLU A 77 9.210 0.922 0.457 1.00 0.00 C ATOM 1258 CG GLU A 77 10.431 1.172 1.359 1.00 0.00 C ATOM 1259 CD GLU A 77 10.316 0.482 2.716 1.00 0.00 C ATOM 1260 OE1 GLU A 77 9.527 -0.484 2.818 1.00 0.00 O ATOM 1261 OE2 GLU A 77 11.015 0.937 3.644 1.00 0.00 O ATOM 0 H GLU A 77 8.110 0.842 -2.105 1.00 0.00 H new ATOM 0 HA GLU A 77 9.042 2.922 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.300 0.965 1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.267 -0.082 0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.329 0.819 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.551 2.245 1.511 1.00 0.00 H new ATOM 1268 N ASP A 78 11.103 3.081 -1.553 1.00 0.00 N ATOM 1269 CA ASP A 78 12.267 3.307 -2.392 1.00 0.00 C ATOM 1270 C ASP A 78 13.507 2.944 -1.584 1.00 0.00 C ATOM 1271 O ASP A 78 13.839 3.632 -0.618 1.00 0.00 O ATOM 1272 CB ASP A 78 12.302 4.778 -2.828 1.00 0.00 C ATOM 1273 CG ASP A 78 13.356 5.037 -3.902 1.00 0.00 C ATOM 1274 OD1 ASP A 78 14.380 4.321 -3.900 1.00 0.00 O ATOM 1275 OD2 ASP A 78 13.110 5.948 -4.720 1.00 0.00 O ATOM 0 H ASP A 78 10.896 3.867 -0.937 1.00 0.00 H new ATOM 0 HA ASP A 78 12.229 2.691 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.321 5.066 -3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.506 5.407 -1.962 1.00 0.00 H new ATOM 1280 N TYR A 79 14.205 1.883 -1.990 1.00 0.00 N ATOM 1281 CA TYR A 79 15.382 1.392 -1.294 1.00 0.00 C ATOM 1282 C TYR A 79 16.483 2.455 -1.252 1.00 0.00 C ATOM 1283 O TYR A 79 17.280 2.473 -0.319 1.00 0.00 O ATOM 1284 CB TYR A 79 15.866 0.100 -1.966 1.00 0.00 C ATOM 1285 CG TYR A 79 16.943 -0.644 -1.202 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.666 -1.164 0.076 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.212 -0.846 -1.778 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.648 -1.888 0.771 1.00 0.00 C ATOM 1289 CE2 TYR A 79 19.199 -1.559 -1.076 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.917 -2.079 0.199 1.00 0.00 C ATOM 1291 OH TYR A 79 19.867 -2.776 0.884 1.00 0.00 O ATOM 0 H TYR A 79 13.963 1.340 -2.819 1.00 0.00 H new ATOM 0 HA TYR A 79 15.121 1.171 -0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.013 -0.564 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.245 0.342 -2.959 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.696 -1.006 0.523 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.427 -0.453 -2.760 1.00 0.00 H new ATOM 0 HE1 TYR A 79 17.428 -2.298 1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.174 -1.707 -1.516 1.00 0.00 H new ATOM 0 HH TYR A 79 20.688 -2.820 0.351 1.00 0.00 H new ATOM 1301 N LYS A 80 16.505 3.365 -2.234 1.00 0.00 N ATOM 1302 CA LYS A 80 17.541 4.379 -2.370 1.00 0.00 C ATOM 1303 C LYS A 80 17.637 5.285 -1.138 1.00 0.00 C ATOM 1304 O LYS A 80 18.686 5.877 -0.889 1.00 0.00 O ATOM 1305 CB LYS A 80 17.294 5.187 -3.655 1.00 0.00 C ATOM 1306 CG LYS A 80 18.523 5.933 -4.195 1.00 0.00 C ATOM 1307 CD LYS A 80 19.552 4.965 -4.800 1.00 0.00 C ATOM 1308 CE LYS A 80 20.666 5.702 -5.554 1.00 0.00 C ATOM 1309 NZ LYS A 80 20.162 6.383 -6.761 1.00 0.00 N ATOM 0 H LYS A 80 15.792 3.413 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 80 18.506 3.878 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.929 4.511 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.502 5.911 -3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 80 18.209 6.651 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 80 18.987 6.501 -3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 80 19.991 4.361 -4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 80 19.047 4.279 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 80 21.129 6.434 -4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 80 21.443 4.992 -5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.963 6.663 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 19.542 5.738 -7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.625 7.229 -6.483 1.00 0.00 H new ATOM 1323 N THR A 81 16.555 5.422 -0.366 1.00 0.00 N ATOM 1324 CA THR A 81 16.621 6.096 0.932 1.00 0.00 C ATOM 1325 C THR A 81 15.671 5.448 1.949 1.00 0.00 C ATOM 1326 O THR A 81 15.372 6.038 2.982 1.00 0.00 O ATOM 1327 CB THR A 81 16.395 7.613 0.755 1.00 0.00 C ATOM 1328 OG1 THR A 81 17.023 8.060 -0.432 1.00 0.00 O ATOM 1329 CG2 THR A 81 16.983 8.441 1.904 1.00 0.00 C ATOM 0 H THR A 81 15.628 5.077 -0.616 1.00 0.00 H new ATOM 0 HA THR A 81 17.620 5.973 1.350 1.00 0.00 H new ATOM 0 HB THR A 81 15.314 7.754 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 81 16.874 9.023 -0.538 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.793 9.499 1.724 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.516 8.143 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 81 18.058 8.270 1.963 1.00 0.00 H new ATOM 1337 N ARG A 82 15.197 4.227 1.668 1.00 0.00 N ATOM 1338 CA ARG A 82 14.273 3.486 2.520 1.00 0.00 C ATOM 1339 C ARG A 82 13.039 4.337 2.867 1.00 0.00 C ATOM 1340 O ARG A 82 12.545 4.303 3.991 1.00 0.00 O ATOM 1341 CB ARG A 82 15.019 2.965 3.762 1.00 0.00 C ATOM 1342 CG ARG A 82 14.290 1.781 4.415 1.00 0.00 C ATOM 1343 CD ARG A 82 14.001 2.016 5.899 1.00 0.00 C ATOM 1344 NE ARG A 82 15.239 2.087 6.686 1.00 0.00 N ATOM 1345 CZ ARG A 82 15.278 2.255 8.015 1.00 0.00 C ATOM 1346 NH1 ARG A 82 14.144 2.409 8.707 1.00 0.00 N ATOM 1347 NH2 ARG A 82 16.456 2.269 8.646 1.00 0.00 N ATOM 0 H ARG A 82 15.455 3.720 0.821 1.00 0.00 H new ATOM 0 HA ARG A 82 13.894 2.618 1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.026 2.659 3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.123 3.772 4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.352 1.602 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.894 0.881 4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.439 2.943 6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.373 1.211 6.280 1.00 0.00 H new ATOM 0 HE ARG A 82 16.126 2.003 6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.246 2.399 8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.177 2.537 9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.320 2.152 8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.491 2.397 9.657 1.00 0.00 H new ATOM 1361 N GLY A 83 12.548 5.112 1.894 1.00 0.00 N ATOM 1362 CA GLY A 83 11.473 6.079 2.092 1.00 0.00 C ATOM 1363 C GLY A 83 10.224 5.613 1.358 1.00 0.00 C ATOM 1364 O GLY A 83 10.337 5.114 0.238 1.00 0.00 O ATOM 0 H GLY A 83 12.894 5.082 0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.262 6.190 3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.779 7.058 1.724 1.00 0.00 H new ATOM 1368 N ARG A 84 9.048 5.751 1.981 1.00 0.00 N ATOM 1369 CA ARG A 84 7.794 5.275 1.416 1.00 0.00 C ATOM 1370 C ARG A 84 6.958 6.400 0.826 1.00 0.00 C ATOM 1371 O ARG A 84 7.241 7.577 1.041 1.00 0.00 O ATOM 1372 CB ARG A 84 6.985 4.500 2.450 1.00 0.00 C ATOM 1373 CG ARG A 84 7.835 3.425 3.133 1.00 0.00 C ATOM 1374 CD ARG A 84 6.940 2.382 3.802 1.00 0.00 C ATOM 1375 NE ARG A 84 7.746 1.323 4.425 1.00 0.00 N ATOM 1376 CZ ARG A 84 8.303 1.379 5.642 1.00 0.00 C ATOM 1377 NH1 ARG A 84 8.097 2.431 6.443 1.00 0.00 N ATOM 1378 NH2 ARG A 84 9.082 0.371 6.047 1.00 0.00 N ATOM 0 H ARG A 84 8.946 6.198 2.892 1.00 0.00 H new ATOM 0 HA ARG A 84 8.057 4.603 0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.595 5.189 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.126 4.034 1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.480 2.942 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.486 3.885 3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.317 2.862 4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.268 1.946 3.063 1.00 0.00 H new ATOM 0 HE ARG A 84 7.894 0.471 3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.509 3.204 6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.527 2.460 7.367 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.245 -0.426 5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.513 0.399 6.971 1.00 0.00 H new ATOM 1392 N LYS A 85 5.930 6.011 0.071 1.00 0.00 N ATOM 1393 CA LYS A 85 5.162 6.924 -0.763 1.00 0.00 C ATOM 1394 C LYS A 85 3.898 6.273 -1.323 1.00 0.00 C ATOM 1395 O LYS A 85 3.963 5.181 -1.878 1.00 0.00 O ATOM 1396 CB LYS A 85 6.056 7.475 -1.887 1.00 0.00 C ATOM 1397 CG LYS A 85 6.805 6.384 -2.676 1.00 0.00 C ATOM 1398 CD LYS A 85 8.331 6.443 -2.501 1.00 0.00 C ATOM 1399 CE LYS A 85 8.976 7.601 -3.274 1.00 0.00 C ATOM 1400 NZ LYS A 85 8.887 7.408 -4.733 1.00 0.00 N ATOM 0 H LYS A 85 5.608 5.044 0.024 1.00 0.00 H new ATOM 0 HA LYS A 85 4.827 7.752 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.441 8.053 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.783 8.163 -1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.448 5.405 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.564 6.481 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.567 6.544 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.767 5.502 -2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.487 8.536 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.023 7.692 -2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.503 8.095 -5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.191 6.443 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.904 7.549 -5.043 1.00 0.00 H new ATOM 1414 N LEU A 86 2.748 6.937 -1.195 1.00 0.00 N ATOM 1415 CA LEU A 86 1.507 6.515 -1.830 1.00 0.00 C ATOM 1416 C LEU A 86 1.615 6.753 -3.340 1.00 0.00 C ATOM 1417 O LEU A 86 1.744 7.898 -3.766 1.00 0.00 O ATOM 1418 CB LEU A 86 0.354 7.319 -1.215 1.00 0.00 C ATOM 1419 CG LEU A 86 -1.040 6.979 -1.763 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.404 5.510 -1.524 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -2.049 7.888 -1.054 1.00 0.00 C ATOM 0 H LEU A 86 2.655 7.789 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 86 1.320 5.454 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.353 7.158 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.543 8.380 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.053 7.138 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.397 5.311 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.676 4.869 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.398 5.303 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.053 7.673 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.008 7.708 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.805 8.931 -1.257 1.00 0.00 H new ATOM 1433 N LEU A 87 1.571 5.687 -4.145 1.00 0.00 N ATOM 1434 CA LEU A 87 1.625 5.778 -5.601 1.00 0.00 C ATOM 1435 C LEU A 87 0.216 5.868 -6.177 1.00 0.00 C ATOM 1436 O LEU A 87 -0.093 6.795 -6.922 1.00 0.00 O ATOM 1437 CB LEU A 87 2.373 4.565 -6.186 1.00 0.00 C ATOM 1438 CG LEU A 87 3.826 4.862 -6.587 1.00 0.00 C ATOM 1439 CD1 LEU A 87 3.907 5.717 -7.856 1.00 0.00 C ATOM 1440 CD2 LEU A 87 4.616 5.516 -5.449 1.00 0.00 C ATOM 0 H LEU A 87 1.496 4.731 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 87 2.169 6.682 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.367 3.759 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.832 4.204 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 87 4.286 3.897 -6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.952 5.903 -8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.427 5.190 -8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.399 6.667 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.637 5.708 -5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.142 6.457 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.632 4.849 -4.587 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.625 4.881 -5.864 1.00 0.00 N ATOM 1453 CA ARG A 88 -1.980 4.773 -6.390 1.00 0.00 C ATOM 1454 C ARG A 88 -2.931 4.613 -5.209 1.00 0.00 C ATOM 1455 O ARG A 88 -2.590 3.953 -4.228 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.076 3.590 -7.364 1.00 0.00 C ATOM 1457 CG ARG A 88 -1.327 3.882 -8.675 1.00 0.00 C ATOM 1458 CD ARG A 88 -0.990 2.597 -9.438 1.00 0.00 C ATOM 1459 NE ARG A 88 0.067 1.844 -8.746 1.00 0.00 N ATOM 1460 CZ ARG A 88 0.753 0.817 -9.267 1.00 0.00 C ATOM 1461 NH1 ARG A 88 0.454 0.342 -10.482 1.00 0.00 N ATOM 1462 NH2 ARG A 88 1.745 0.274 -8.553 1.00 0.00 N ATOM 0 H ARG A 88 -0.376 4.124 -5.227 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.252 5.668 -6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.661 2.697 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.123 3.379 -7.580 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.937 4.529 -9.305 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.408 4.425 -8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.883 1.979 -9.531 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.666 2.843 -10.449 1.00 0.00 H new ATOM 0 HE ARG A 88 0.296 2.126 -7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.303 0.762 -11.022 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.983 -0.440 -10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.968 0.642 -7.628 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.278 -0.508 -8.933 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.103 5.244 -5.300 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.146 5.222 -4.290 1.00 0.00 C ATOM 1478 C PHE A 89 -6.467 5.066 -5.030 1.00 0.00 C ATOM 1479 O PHE A 89 -7.053 6.054 -5.472 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.103 6.513 -3.470 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.091 6.538 -2.320 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -5.769 5.920 -1.097 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -7.336 7.173 -2.474 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -6.675 5.969 -0.021 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.232 7.241 -1.393 1.00 0.00 C ATOM 1486 CZ PHE A 89 -7.904 6.637 -0.168 1.00 0.00 C ATOM 0 H PHE A 89 -4.355 5.805 -6.114 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.014 4.399 -3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.096 6.649 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.304 7.358 -4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.825 5.407 -0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.604 7.609 -3.425 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.427 5.494 0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.174 7.758 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.595 6.685 0.661 1.00 0.00 H new ATOM 1496 N ASN A 90 -6.899 3.822 -5.226 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.061 3.503 -6.035 1.00 0.00 C ATOM 1498 C ASN A 90 -9.194 3.082 -5.107 1.00 0.00 C ATOM 1499 O ASN A 90 -8.964 2.716 -3.955 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.721 2.397 -7.041 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.742 2.838 -8.133 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.871 3.676 -7.920 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -6.869 2.266 -9.328 1.00 0.00 N ATOM 0 H ASN A 90 -6.444 3.003 -4.822 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.374 4.376 -6.608 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.295 1.549 -6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.641 2.049 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -6.236 2.522 -10.086 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.599 1.571 -9.486 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.427 3.134 -5.610 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.628 2.882 -4.833 1.00 0.00 C ATOM 1512 C GLY A 91 -12.429 4.179 -4.691 1.00 0.00 C ATOM 1513 O GLY A 91 -12.174 5.123 -5.441 1.00 0.00 O ATOM 0 H GLY A 91 -10.617 3.357 -6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.235 2.119 -5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.362 2.497 -3.848 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.387 4.248 -3.754 1.00 0.00 N ATOM 1518 CA PRO A 92 -13.697 3.198 -2.797 1.00 0.00 C ATOM 1519 C PRO A 92 -14.264 1.974 -3.512 1.00 0.00 C ATOM 1520 O PRO A 92 -14.961 2.115 -4.515 1.00 0.00 O ATOM 1521 CB PRO A 92 -14.723 3.807 -1.844 1.00 0.00 C ATOM 1522 CG PRO A 92 -15.425 4.865 -2.697 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.315 5.360 -3.626 1.00 0.00 C ATOM 0 HA PRO A 92 -12.811 2.857 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.425 3.057 -1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.245 4.250 -0.970 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.259 4.442 -3.257 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -15.828 5.672 -2.086 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.717 5.649 -4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -13.820 6.238 -3.212 1.00 0.00 H new