USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 755 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 80 THR OG1 : rot 57:sc= 2.21 USER MOD Set 1.2: A 91 THR OG1 : rot -173:sc= 1.25 USER MOD Set 2.1: A 9 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 11 MET CE :methyl 178:sc= -0.222 (180deg=-0.238) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 5 THR OG1 : rot -150:sc= 1.17 USER MOD Single : A 12 ASN : amide:sc= 0.233 X(o=0.23,f=-0.078) USER MOD Single : A 13 MET CE :methyl -172:sc= -2.21 (180deg=-2.76) USER MOD Single : A 25 TYR OH : rot -163:sc= 0.48 USER MOD Single : A 36 CYS SG : rot -38:sc= -0.68 USER MOD Single : A 37 SER OG : rot 90:sc= 0.00175 USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.181 (180deg=-0.65) USER MOD Single : A 39 TYR OH : rot -103:sc= 0.961 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= -0.0141 (180deg=-0.083) USER MOD Single : A 67 THR OG1 : rot 97:sc= 1.42 USER MOD Single : A 68 SER OG : rot 42:sc= 1.21 USER MOD Single : A 72 CYS SG : rot 162:sc= -2.1 USER MOD Single : A 73 GLN : amide:sc= -0.788 K(o=-0.79,f=-1.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -178:sc= 0 (180deg=-0.00333) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc=-0.00378 X(o=-0.0038,f=-0.28) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.176 USER MOD Single : A 94 CYS SG : rot 143:sc= 0.852 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00514 USER MOD Single : A 99 TYR OH : rot 166:sc= 0.381 USER MOD Single : A 100 HIS : no HE2:sc= -0.214 K(o=-0.21,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 3 12.558 16.210 1.526 1.00 0.00 N ATOM 16 CA HIS A 3 11.435 17.062 1.146 1.00 0.00 C ATOM 17 C HIS A 3 10.107 16.279 1.193 1.00 0.00 C ATOM 18 O HIS A 3 10.107 15.044 1.136 1.00 0.00 O ATOM 19 CB HIS A 3 11.712 17.690 -0.231 1.00 0.00 C ATOM 20 CG HIS A 3 11.858 16.720 -1.378 1.00 0.00 C ATOM 21 ND1 HIS A 3 12.994 16.018 -1.714 1.00 0.00 N ATOM 22 CD2 HIS A 3 10.946 16.521 -2.382 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.779 15.417 -2.891 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.543 15.693 -3.334 1.00 0.00 N ATOM 0 HA HIS A 3 11.330 17.875 1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.901 18.380 -0.464 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.625 18.282 -0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.948 16.930 -2.428 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.497 14.799 -3.409 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.120 15.361 -4.201 1.00 0.00 H new ATOM 32 N PRO A 4 8.961 16.962 1.338 1.00 0.00 N ATOM 33 CA PRO A 4 7.650 16.353 1.149 1.00 0.00 C ATOM 34 C PRO A 4 7.446 16.094 -0.344 1.00 0.00 C ATOM 35 O PRO A 4 7.907 16.884 -1.169 1.00 0.00 O ATOM 36 CB PRO A 4 6.657 17.394 1.672 1.00 0.00 C ATOM 37 CG PRO A 4 7.370 18.724 1.412 1.00 0.00 C ATOM 38 CD PRO A 4 8.838 18.386 1.612 1.00 0.00 C ATOM 0 HA PRO A 4 7.530 15.401 1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.703 17.340 1.147 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.446 17.251 2.732 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.177 19.092 0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.039 19.499 2.104 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.468 18.969 0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.157 18.617 2.628 1.00 0.00 H new ATOM 46 N THR A 5 6.711 15.047 -0.702 1.00 0.00 N ATOM 47 CA THR A 5 6.437 14.673 -2.085 1.00 0.00 C ATOM 48 C THR A 5 4.959 14.323 -2.192 1.00 0.00 C ATOM 49 O THR A 5 4.375 13.916 -1.191 1.00 0.00 O ATOM 50 CB THR A 5 7.309 13.469 -2.473 1.00 0.00 C ATOM 51 OG1 THR A 5 7.132 12.432 -1.530 1.00 0.00 O ATOM 52 CG2 THR A 5 8.794 13.802 -2.515 1.00 0.00 C ATOM 0 H THR A 5 6.279 14.420 -0.023 1.00 0.00 H new ATOM 0 HA THR A 5 6.670 15.494 -2.763 1.00 0.00 H new ATOM 0 HB THR A 5 6.993 13.169 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.953 11.901 -1.470 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.359 12.913 -2.795 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.970 14.589 -3.248 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.118 14.143 -1.532 1.00 0.00 H new ATOM 60 N GLU A 6 4.366 14.439 -3.381 1.00 0.00 N ATOM 61 CA GLU A 6 2.930 14.254 -3.629 1.00 0.00 C ATOM 62 C GLU A 6 2.412 12.834 -3.389 1.00 0.00 C ATOM 63 O GLU A 6 1.208 12.599 -3.499 1.00 0.00 O ATOM 64 CB GLU A 6 2.591 14.753 -5.041 1.00 0.00 C ATOM 65 CG GLU A 6 3.187 13.880 -6.156 1.00 0.00 C ATOM 66 CD GLU A 6 3.133 14.544 -7.534 1.00 0.00 C ATOM 67 OE1 GLU A 6 2.556 15.644 -7.701 1.00 0.00 O ATOM 68 OE2 GLU A 6 3.748 13.994 -8.475 1.00 0.00 O ATOM 0 H GLU A 6 4.886 14.672 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 6 2.405 14.852 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.508 14.787 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.956 15.774 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.224 13.648 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.649 12.933 -6.195 1.00 0.00 H new ATOM 75 N VAL A 7 3.294 11.897 -3.046 1.00 0.00 N ATOM 76 CA VAL A 7 2.908 10.542 -2.704 1.00 0.00 C ATOM 77 C VAL A 7 2.726 10.406 -1.188 1.00 0.00 C ATOM 78 O VAL A 7 2.698 11.397 -0.450 1.00 0.00 O ATOM 79 CB VAL A 7 3.867 9.539 -3.381 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.089 9.858 -4.869 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.232 9.445 -2.726 1.00 0.00 C ATOM 0 H VAL A 7 4.299 12.064 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 7 1.926 10.291 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 7 3.358 8.582 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.770 9.125 -5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.135 9.821 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.519 10.855 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.844 8.719 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.717 10.421 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.117 9.127 -1.690 1.00 0.00 H new ATOM 91 N LEU A 8 2.625 9.171 -0.711 1.00 0.00 N ATOM 92 CA LEU A 8 2.559 8.765 0.680 1.00 0.00 C ATOM 93 C LEU A 8 3.237 7.400 0.749 1.00 0.00 C ATOM 94 O LEU A 8 3.306 6.694 -0.260 1.00 0.00 O ATOM 95 CB LEU A 8 1.081 8.624 1.089 1.00 0.00 C ATOM 96 CG LEU A 8 0.631 9.330 2.371 1.00 0.00 C ATOM 97 CD1 LEU A 8 1.493 9.014 3.593 1.00 0.00 C ATOM 98 CD2 LEU A 8 0.516 10.845 2.179 1.00 0.00 C ATOM 0 H LEU A 8 2.584 8.368 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 8 3.039 9.486 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.468 8.995 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.861 7.562 1.195 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.359 8.923 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.108 9.553 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.465 7.942 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.521 9.321 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.194 11.307 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.486 11.250 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.214 11.058 1.398 1.00 0.00 H new ATOM 110 N CYS A 9 3.666 6.986 1.936 1.00 0.00 N ATOM 111 CA CYS A 9 4.266 5.691 2.207 1.00 0.00 C ATOM 112 C CYS A 9 3.664 5.203 3.521 1.00 0.00 C ATOM 113 O CYS A 9 3.835 5.851 4.555 1.00 0.00 O ATOM 114 CB CYS A 9 5.790 5.886 2.262 1.00 0.00 C ATOM 115 SG CYS A 9 6.680 4.437 2.873 1.00 0.00 S ATOM 0 H CYS A 9 3.601 7.571 2.769 1.00 0.00 H new ATOM 0 HA CYS A 9 4.068 4.940 1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.153 6.132 1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.016 6.738 2.902 1.00 0.00 H new ATOM 0 HG CYS A 9 7.956 4.685 2.885 1.00 0.00 H new ATOM 121 N LEU A 10 2.889 4.119 3.497 1.00 0.00 N ATOM 122 CA LEU A 10 2.184 3.565 4.638 1.00 0.00 C ATOM 123 C LEU A 10 2.548 2.095 4.833 1.00 0.00 C ATOM 124 O LEU A 10 2.892 1.396 3.881 1.00 0.00 O ATOM 125 CB LEU A 10 0.678 3.700 4.421 1.00 0.00 C ATOM 126 CG LEU A 10 0.248 5.101 3.942 1.00 0.00 C ATOM 127 CD1 LEU A 10 0.023 5.134 2.427 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.046 5.516 4.610 1.00 0.00 C ATOM 0 H LEU A 10 2.733 3.585 2.642 1.00 0.00 H new ATOM 0 HA LEU A 10 2.476 4.115 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.357 2.960 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.163 3.470 5.353 1.00 0.00 H new ATOM 0 HG LEU A 10 1.054 5.785 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.279 6.137 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.947 4.864 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.760 4.424 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.334 6.507 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.830 4.801 4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.906 5.539 5.691 1.00 0.00 H new ATOM 140 N MET A 11 2.440 1.596 6.065 1.00 0.00 N ATOM 141 CA MET A 11 2.898 0.258 6.441 1.00 0.00 C ATOM 142 C MET A 11 1.892 -0.427 7.362 1.00 0.00 C ATOM 143 O MET A 11 0.980 0.222 7.881 1.00 0.00 O ATOM 144 CB MET A 11 4.242 0.369 7.170 1.00 0.00 C ATOM 145 CG MET A 11 5.377 0.974 6.336 1.00 0.00 C ATOM 146 SD MET A 11 6.181 2.403 7.112 1.00 0.00 S ATOM 147 CE MET A 11 5.030 3.725 6.699 1.00 0.00 C ATOM 0 H MET A 11 2.027 2.116 6.839 1.00 0.00 H new ATOM 0 HA MET A 11 3.003 -0.336 5.533 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.105 0.975 8.065 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.543 -0.625 7.501 1.00 0.00 H new ATOM 0 HG2 MET A 11 6.127 0.205 6.149 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.981 1.275 5.366 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.375 4.659 7.141 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.975 3.835 5.616 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.042 3.482 7.090 1.00 0.00 H new ATOM 157 N ASN A 12 2.107 -1.729 7.607 1.00 0.00 N ATOM 158 CA ASN A 12 1.291 -2.628 8.443 1.00 0.00 C ATOM 159 C ASN A 12 -0.132 -2.788 7.918 1.00 0.00 C ATOM 160 O ASN A 12 -1.018 -3.217 8.649 1.00 0.00 O ATOM 161 CB ASN A 12 1.219 -2.192 9.919 1.00 0.00 C ATOM 162 CG ASN A 12 2.498 -1.629 10.496 1.00 0.00 C ATOM 163 OD1 ASN A 12 3.580 -2.191 10.354 1.00 0.00 O ATOM 164 ND2 ASN A 12 2.413 -0.481 11.141 1.00 0.00 N ATOM 0 H ASN A 12 2.907 -2.215 7.201 1.00 0.00 H new ATOM 0 HA ASN A 12 1.809 -3.585 8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.435 -1.442 10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.918 -3.051 10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.253 -0.050 11.528 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.508 -0.024 11.252 1.00 0.00 H new ATOM 171 N MET A 13 -0.370 -2.351 6.687 1.00 0.00 N ATOM 172 CA MET A 13 -1.689 -2.251 6.116 1.00 0.00 C ATOM 173 C MET A 13 -2.135 -3.660 5.739 1.00 0.00 C ATOM 174 O MET A 13 -2.895 -4.289 6.474 1.00 0.00 O ATOM 175 CB MET A 13 -1.600 -1.241 4.965 1.00 0.00 C ATOM 176 CG MET A 13 -2.959 -0.846 4.410 1.00 0.00 C ATOM 177 SD MET A 13 -2.921 0.617 3.344 1.00 0.00 S ATOM 178 CE MET A 13 -2.311 1.897 4.464 1.00 0.00 C ATOM 0 H MET A 13 0.371 -2.052 6.052 1.00 0.00 H new ATOM 0 HA MET A 13 -2.456 -1.874 6.793 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.083 -0.347 5.314 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.996 -1.666 4.163 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.367 -1.684 3.845 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.640 -0.660 5.241 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.376 2.869 3.975 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.916 1.905 5.371 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.273 1.690 4.722 1.00 0.00 H new ATOM 188 N VAL A 14 -1.583 -4.171 4.642 1.00 0.00 N ATOM 189 CA VAL A 14 -1.857 -5.495 4.119 1.00 0.00 C ATOM 190 C VAL A 14 -0.761 -6.446 4.593 1.00 0.00 C ATOM 191 O VAL A 14 0.364 -6.028 4.901 1.00 0.00 O ATOM 192 CB VAL A 14 -1.972 -5.430 2.579 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.227 -4.643 2.183 1.00 0.00 C ATOM 194 CG2 VAL A 14 -0.732 -4.811 1.910 1.00 0.00 C ATOM 0 H VAL A 14 -0.910 -3.652 4.077 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.809 -5.875 4.491 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.045 -6.457 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.302 -4.601 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.110 -5.137 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.163 -3.631 2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.873 -4.793 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.592 -3.794 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.148 -5.408 2.151 1.00 0.00 H new ATOM 204 N LEU A 15 -1.094 -7.734 4.640 1.00 0.00 N ATOM 205 CA LEU A 15 -0.195 -8.822 4.976 1.00 0.00 C ATOM 206 C LEU A 15 0.063 -9.609 3.683 1.00 0.00 C ATOM 207 O LEU A 15 -0.798 -9.619 2.796 1.00 0.00 O ATOM 208 CB LEU A 15 -0.856 -9.732 6.031 1.00 0.00 C ATOM 209 CG LEU A 15 -1.164 -9.159 7.422 1.00 0.00 C ATOM 210 CD1 LEU A 15 0.087 -8.626 8.127 1.00 0.00 C ATOM 211 CD2 LEU A 15 -2.286 -8.116 7.439 1.00 0.00 C ATOM 0 H LEU A 15 -2.040 -8.056 4.435 1.00 0.00 H new ATOM 0 HA LEU A 15 0.741 -8.447 5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.793 -10.096 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.210 -10.599 6.168 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.535 -10.013 7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.187 -8.233 9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.808 -9.434 8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.531 -7.831 7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.439 -7.763 8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.011 -7.276 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.207 -8.566 7.069 1.00 0.00 H new ATOM 223 N PRO A 16 1.178 -10.350 3.581 1.00 0.00 N ATOM 224 CA PRO A 16 1.545 -11.095 2.373 1.00 0.00 C ATOM 225 C PRO A 16 0.573 -12.229 2.025 1.00 0.00 C ATOM 226 O PRO A 16 0.634 -12.793 0.936 1.00 0.00 O ATOM 227 CB PRO A 16 2.937 -11.659 2.677 1.00 0.00 C ATOM 228 CG PRO A 16 2.974 -11.763 4.199 1.00 0.00 C ATOM 229 CD PRO A 16 2.206 -10.507 4.598 1.00 0.00 C ATOM 0 HA PRO A 16 1.518 -10.439 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.084 -12.632 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.723 -11.003 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.494 -12.672 4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.993 -11.764 4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.766 -10.613 5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.863 -9.638 4.632 1.00 0.00 H new ATOM 237 N GLU A 17 -0.317 -12.581 2.944 1.00 0.00 N ATOM 238 CA GLU A 17 -1.152 -13.768 2.913 1.00 0.00 C ATOM 239 C GLU A 17 -2.591 -13.408 2.551 1.00 0.00 C ATOM 240 O GLU A 17 -3.463 -14.266 2.605 1.00 0.00 O ATOM 241 CB GLU A 17 -0.979 -14.549 4.228 1.00 0.00 C ATOM 242 CG GLU A 17 -1.132 -13.709 5.509 1.00 0.00 C ATOM 243 CD GLU A 17 -0.771 -14.474 6.789 1.00 0.00 C ATOM 244 OE1 GLU A 17 0.214 -15.252 6.801 1.00 0.00 O ATOM 245 OE2 GLU A 17 -1.376 -14.217 7.857 1.00 0.00 O ATOM 0 H GLU A 17 -0.482 -12.013 3.775 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.836 -14.446 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.710 -15.357 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.008 -15.012 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.498 -12.825 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.161 -13.358 5.583 1.00 0.00 H new ATOM 252 N GLU A 18 -2.841 -12.159 2.153 1.00 0.00 N ATOM 253 CA GLU A 18 -4.179 -11.624 1.902 1.00 0.00 C ATOM 254 C GLU A 18 -4.300 -11.047 0.485 1.00 0.00 C ATOM 255 O GLU A 18 -5.407 -10.845 -0.016 1.00 0.00 O ATOM 256 CB GLU A 18 -4.478 -10.531 2.940 1.00 0.00 C ATOM 257 CG GLU A 18 -4.163 -10.887 4.402 1.00 0.00 C ATOM 258 CD GLU A 18 -5.019 -11.989 5.026 1.00 0.00 C ATOM 259 OE1 GLU A 18 -6.012 -12.442 4.421 1.00 0.00 O ATOM 260 OE2 GLU A 18 -4.696 -12.400 6.164 1.00 0.00 O ATOM 0 H GLU A 18 -2.101 -11.476 1.993 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.901 -12.436 1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.911 -9.639 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.534 -10.270 2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.117 -11.189 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.271 -9.986 5.005 1.00 0.00 H new ATOM 267 N LEU A 19 -3.157 -10.788 -0.161 1.00 0.00 N ATOM 268 CA LEU A 19 -3.052 -10.169 -1.482 1.00 0.00 C ATOM 269 C LEU A 19 -3.074 -11.252 -2.558 1.00 0.00 C ATOM 270 O LEU A 19 -2.126 -11.395 -3.337 1.00 0.00 O ATOM 271 CB LEU A 19 -1.773 -9.328 -1.587 1.00 0.00 C ATOM 272 CG LEU A 19 -1.703 -8.137 -0.626 1.00 0.00 C ATOM 273 CD1 LEU A 19 -0.270 -7.589 -0.674 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.723 -7.065 -1.042 1.00 0.00 C ATOM 0 H LEU A 19 -2.247 -11.014 0.240 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.903 -9.504 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.915 -9.974 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.682 -8.958 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.949 -8.440 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.183 -6.737 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.428 -8.368 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.035 -7.272 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.666 -6.222 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.500 -6.723 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.727 -7.488 -1.015 1.00 0.00 H new ATOM 286 N LEU A 20 -4.122 -12.071 -2.553 1.00 0.00 N ATOM 287 CA LEU A 20 -4.279 -13.196 -3.459 1.00 0.00 C ATOM 288 C LEU A 20 -5.596 -13.038 -4.220 1.00 0.00 C ATOM 289 O LEU A 20 -5.576 -13.090 -5.448 1.00 0.00 O ATOM 290 CB LEU A 20 -4.181 -14.535 -2.708 1.00 0.00 C ATOM 291 CG LEU A 20 -2.839 -14.941 -2.058 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.618 -14.731 -2.965 1.00 0.00 C ATOM 293 CD2 LEU A 20 -2.580 -14.272 -0.701 1.00 0.00 C ATOM 0 H LEU A 20 -4.901 -11.965 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.465 -13.204 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.936 -14.526 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.458 -15.324 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.962 -16.012 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.715 -15.039 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.730 -15.327 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.540 -13.677 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.620 -14.606 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.564 -13.189 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.372 -14.545 -0.004 1.00 0.00 H new ATOM 305 N ASP A 21 -6.705 -12.768 -3.521 1.00 0.00 N ATOM 306 CA ASP A 21 -8.027 -12.480 -4.089 1.00 0.00 C ATOM 307 C ASP A 21 -7.957 -11.248 -5.008 1.00 0.00 C ATOM 308 O ASP A 21 -8.119 -10.118 -4.541 1.00 0.00 O ATOM 309 CB ASP A 21 -9.069 -12.233 -2.976 1.00 0.00 C ATOM 310 CG ASP A 21 -9.650 -13.499 -2.345 1.00 0.00 C ATOM 311 OD1 ASP A 21 -8.973 -14.132 -1.503 1.00 0.00 O ATOM 312 OD2 ASP A 21 -10.809 -13.848 -2.667 1.00 0.00 O ATOM 0 H ASP A 21 -6.705 -12.743 -2.501 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.336 -13.349 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.606 -11.633 -2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.887 -11.642 -3.389 1.00 0.00 H new ATOM 317 N ASP A 22 -7.729 -11.456 -6.311 1.00 0.00 N ATOM 318 CA ASP A 22 -7.578 -10.417 -7.348 1.00 0.00 C ATOM 319 C ASP A 22 -8.817 -9.538 -7.500 1.00 0.00 C ATOM 320 O ASP A 22 -8.758 -8.473 -8.117 1.00 0.00 O ATOM 321 CB ASP A 22 -7.365 -11.061 -8.739 1.00 0.00 C ATOM 322 CG ASP A 22 -6.179 -12.006 -8.923 1.00 0.00 C ATOM 323 OD1 ASP A 22 -5.092 -11.541 -9.328 1.00 0.00 O ATOM 324 OD2 ASP A 22 -6.367 -13.248 -8.862 1.00 0.00 O ATOM 0 H ASP A 22 -7.640 -12.397 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.726 -9.819 -7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.271 -11.611 -8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.265 -10.256 -9.467 1.00 0.00 H new ATOM 329 N GLU A 23 -9.945 -10.012 -6.991 1.00 0.00 N ATOM 330 CA GLU A 23 -11.256 -9.421 -7.159 1.00 0.00 C ATOM 331 C GLU A 23 -11.639 -8.594 -5.934 1.00 0.00 C ATOM 332 O GLU A 23 -12.232 -7.533 -6.088 1.00 0.00 O ATOM 333 CB GLU A 23 -12.230 -10.523 -7.558 1.00 0.00 C ATOM 334 CG GLU A 23 -12.441 -11.529 -6.435 1.00 0.00 C ATOM 335 CD GLU A 23 -13.026 -12.825 -6.994 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.222 -12.850 -7.365 1.00 0.00 O ATOM 337 OE2 GLU A 23 -12.244 -13.775 -7.241 1.00 0.00 O ATOM 0 H GLU A 23 -9.967 -10.859 -6.424 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.275 -8.693 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.187 -10.080 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.853 -11.039 -8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.493 -11.734 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.112 -11.112 -5.684 1.00 0.00 H new ATOM 344 N GLU A 24 -11.237 -9.021 -4.736 1.00 0.00 N ATOM 345 CA GLU A 24 -11.392 -8.280 -3.502 1.00 0.00 C ATOM 346 C GLU A 24 -10.391 -7.125 -3.424 1.00 0.00 C ATOM 347 O GLU A 24 -10.720 -6.048 -2.934 1.00 0.00 O ATOM 348 CB GLU A 24 -11.160 -9.269 -2.359 1.00 0.00 C ATOM 349 CG GLU A 24 -11.860 -8.767 -1.108 1.00 0.00 C ATOM 350 CD GLU A 24 -11.667 -9.703 0.082 1.00 0.00 C ATOM 351 OE1 GLU A 24 -11.632 -10.941 -0.102 1.00 0.00 O ATOM 352 OE2 GLU A 24 -11.528 -9.166 1.204 1.00 0.00 O ATOM 0 H GLU A 24 -10.780 -9.923 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.387 -7.840 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.541 -10.253 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.092 -9.381 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.479 -7.778 -0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.925 -8.656 -1.311 1.00 0.00 H new ATOM 359 N TYR A 25 -9.172 -7.335 -3.936 1.00 0.00 N ATOM 360 CA TYR A 25 -8.125 -6.335 -4.081 1.00 0.00 C ATOM 361 C TYR A 25 -8.660 -5.036 -4.696 1.00 0.00 C ATOM 362 O TYR A 25 -8.261 -3.945 -4.284 1.00 0.00 O ATOM 363 CB TYR A 25 -7.037 -6.971 -4.959 1.00 0.00 C ATOM 364 CG TYR A 25 -5.927 -6.045 -5.398 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.099 -5.289 -6.575 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.725 -5.965 -4.666 1.00 0.00 C ATOM 367 CE1 TYR A 25 -5.080 -4.433 -7.016 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.705 -5.102 -5.104 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.885 -4.332 -6.275 1.00 0.00 C ATOM 370 OH TYR A 25 -2.895 -3.513 -6.715 1.00 0.00 O ATOM 0 H TYR A 25 -8.882 -8.253 -4.274 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.724 -6.052 -3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.596 -7.804 -4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.511 -7.388 -5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.017 -5.369 -7.138 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.589 -6.562 -3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.210 -3.854 -7.918 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.784 -5.028 -4.545 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.055 -3.745 -6.266 1.00 0.00 H new ATOM 380 N GLU A 26 -9.546 -5.140 -5.690 1.00 0.00 N ATOM 381 CA GLU A 26 -10.149 -4.001 -6.362 1.00 0.00 C ATOM 382 C GLU A 26 -11.070 -3.229 -5.411 1.00 0.00 C ATOM 383 O GLU A 26 -11.006 -2.002 -5.341 1.00 0.00 O ATOM 384 CB GLU A 26 -10.929 -4.545 -7.572 1.00 0.00 C ATOM 385 CG GLU A 26 -10.202 -4.340 -8.906 1.00 0.00 C ATOM 386 CD GLU A 26 -10.113 -2.886 -9.391 1.00 0.00 C ATOM 387 OE1 GLU A 26 -11.023 -2.060 -9.165 1.00 0.00 O ATOM 388 OE2 GLU A 26 -9.115 -2.557 -10.073 1.00 0.00 O ATOM 0 H GLU A 26 -9.866 -6.038 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.382 -3.300 -6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.114 -5.609 -7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.902 -4.056 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.191 -4.737 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.708 -4.930 -9.670 1.00 0.00 H new ATOM 395 N GLU A 27 -11.919 -3.950 -4.681 1.00 0.00 N ATOM 396 CA GLU A 27 -12.935 -3.397 -3.791 1.00 0.00 C ATOM 397 C GLU A 27 -12.267 -2.649 -2.640 1.00 0.00 C ATOM 398 O GLU A 27 -12.630 -1.520 -2.316 1.00 0.00 O ATOM 399 CB GLU A 27 -13.816 -4.528 -3.239 1.00 0.00 C ATOM 400 CG GLU A 27 -14.422 -5.406 -4.338 1.00 0.00 C ATOM 401 CD GLU A 27 -15.401 -4.689 -5.267 1.00 0.00 C ATOM 402 OE1 GLU A 27 -15.960 -3.634 -4.894 1.00 0.00 O ATOM 403 OE2 GLU A 27 -15.711 -5.248 -6.349 1.00 0.00 O ATOM 0 H GLU A 27 -11.917 -4.970 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.559 -2.701 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.221 -5.151 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.619 -4.097 -2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.613 -5.822 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.936 -6.246 -3.870 1.00 0.00 H new ATOM 410 N ILE A 28 -11.262 -3.285 -2.037 1.00 0.00 N ATOM 411 CA ILE A 28 -10.550 -2.764 -0.885 1.00 0.00 C ATOM 412 C ILE A 28 -9.903 -1.424 -1.238 1.00 0.00 C ATOM 413 O ILE A 28 -9.978 -0.486 -0.441 1.00 0.00 O ATOM 414 CB ILE A 28 -9.523 -3.811 -0.397 1.00 0.00 C ATOM 415 CG1 ILE A 28 -10.244 -5.041 0.196 1.00 0.00 C ATOM 416 CG2 ILE A 28 -8.611 -3.192 0.678 1.00 0.00 C ATOM 417 CD1 ILE A 28 -9.316 -6.246 0.377 1.00 0.00 C ATOM 0 H ILE A 28 -10.919 -4.194 -2.347 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.242 -2.578 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.923 -4.126 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.675 -4.773 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.071 -5.321 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.890 -3.936 1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.080 -2.338 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.216 -2.863 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.879 -7.079 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.905 -6.537 -0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.503 -5.981 1.053 1.00 0.00 H new ATOM 429 N VAL A 29 -9.251 -1.335 -2.402 1.00 0.00 N ATOM 430 CA VAL A 29 -8.634 -0.100 -2.865 1.00 0.00 C ATOM 431 C VAL A 29 -9.688 1.001 -2.935 1.00 0.00 C ATOM 432 O VAL A 29 -9.429 2.115 -2.482 1.00 0.00 O ATOM 433 CB VAL A 29 -7.951 -0.352 -4.220 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.591 0.939 -4.974 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.650 -1.129 -3.974 1.00 0.00 C ATOM 0 H VAL A 29 -9.139 -2.119 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.866 0.233 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.661 -0.906 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.113 0.686 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.498 1.512 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.907 1.535 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.153 -1.316 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.993 -0.544 -3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.879 -2.079 -3.491 1.00 0.00 H new ATOM 445 N GLU A 30 -10.850 0.715 -3.524 1.00 0.00 N ATOM 446 CA GLU A 30 -11.875 1.721 -3.742 1.00 0.00 C ATOM 447 C GLU A 30 -12.416 2.232 -2.410 1.00 0.00 C ATOM 448 O GLU A 30 -12.669 3.435 -2.287 1.00 0.00 O ATOM 449 CB GLU A 30 -12.998 1.163 -4.628 1.00 0.00 C ATOM 450 CG GLU A 30 -12.552 0.861 -6.070 1.00 0.00 C ATOM 451 CD GLU A 30 -13.071 1.892 -7.070 1.00 0.00 C ATOM 452 OE1 GLU A 30 -14.215 1.736 -7.560 1.00 0.00 O ATOM 453 OE2 GLU A 30 -12.326 2.843 -7.418 1.00 0.00 O ATOM 0 H GLU A 30 -11.100 -0.215 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.429 2.567 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.385 0.249 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.820 1.879 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.463 0.835 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.906 -0.129 -6.357 1.00 0.00 H new ATOM 460 N ASP A 31 -12.567 1.366 -1.407 1.00 0.00 N ATOM 461 CA ASP A 31 -13.156 1.818 -0.146 1.00 0.00 C ATOM 462 C ASP A 31 -12.170 2.629 0.685 1.00 0.00 C ATOM 463 O ASP A 31 -12.562 3.508 1.453 1.00 0.00 O ATOM 464 CB ASP A 31 -13.701 0.664 0.705 1.00 0.00 C ATOM 465 CG ASP A 31 -14.957 1.125 1.473 1.00 0.00 C ATOM 466 OD1 ASP A 31 -15.708 2.012 0.992 1.00 0.00 O ATOM 467 OD2 ASP A 31 -15.184 0.631 2.597 1.00 0.00 O ATOM 0 H ASP A 31 -12.301 0.382 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.993 2.455 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.946 -0.186 0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.938 0.327 1.407 1.00 0.00 H new ATOM 472 N VAL A 32 -10.875 2.366 0.518 1.00 0.00 N ATOM 473 CA VAL A 32 -9.827 3.146 1.168 1.00 0.00 C ATOM 474 C VAL A 32 -9.671 4.470 0.427 1.00 0.00 C ATOM 475 O VAL A 32 -9.390 5.499 1.033 1.00 0.00 O ATOM 476 CB VAL A 32 -8.519 2.327 1.153 1.00 0.00 C ATOM 477 CG1 VAL A 32 -7.295 3.158 1.559 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.632 1.144 2.124 1.00 0.00 C ATOM 0 H VAL A 32 -10.525 1.609 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.082 3.363 2.205 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.380 1.986 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.404 2.531 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.175 3.991 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.436 3.543 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.705 0.570 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.811 1.517 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.460 0.503 1.822 1.00 0.00 H new ATOM 488 N ARG A 33 -9.859 4.479 -0.888 1.00 0.00 N ATOM 489 CA ARG A 33 -9.697 5.681 -1.682 1.00 0.00 C ATOM 490 C ARG A 33 -10.723 6.741 -1.311 1.00 0.00 C ATOM 491 O ARG A 33 -10.397 7.925 -1.376 1.00 0.00 O ATOM 492 CB ARG A 33 -9.754 5.225 -3.142 1.00 0.00 C ATOM 493 CG ARG A 33 -9.672 6.281 -4.240 1.00 0.00 C ATOM 494 CD ARG A 33 -9.375 5.511 -5.535 1.00 0.00 C ATOM 495 NE ARG A 33 -9.854 6.189 -6.744 1.00 0.00 N ATOM 496 CZ ARG A 33 -9.644 5.709 -7.973 1.00 0.00 C ATOM 497 NH1 ARG A 33 -8.608 4.916 -8.221 1.00 0.00 N ATOM 498 NH2 ARG A 33 -10.468 6.026 -8.961 1.00 0.00 N ATOM 0 H ARG A 33 -10.127 3.655 -1.427 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.745 6.178 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.939 4.519 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.684 4.674 -3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.607 6.836 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.887 7.007 -4.027 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.299 5.356 -5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.835 4.525 -5.475 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.369 7.064 -6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.964 4.668 -7.470 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.456 4.555 -9.163 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.265 6.638 -8.784 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.306 5.658 -9.898 1.00 0.00 H new ATOM 512 N ASP A 34 -11.908 6.352 -0.836 1.00 0.00 N ATOM 513 CA ASP A 34 -12.818 7.273 -0.153 1.00 0.00 C ATOM 514 C ASP A 34 -12.126 7.935 1.042 1.00 0.00 C ATOM 515 O ASP A 34 -12.258 9.145 1.244 1.00 0.00 O ATOM 516 CB ASP A 34 -14.068 6.528 0.334 1.00 0.00 C ATOM 517 CG ASP A 34 -14.786 7.283 1.456 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.667 8.131 1.185 1.00 0.00 O ATOM 519 OD2 ASP A 34 -14.521 7.016 2.651 1.00 0.00 O ATOM 0 H ASP A 34 -12.261 5.398 -0.913 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.111 8.044 -0.866 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.753 6.384 -0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.784 5.537 0.688 1.00 0.00 H new ATOM 524 N GLU A 35 -11.445 7.147 1.871 1.00 0.00 N ATOM 525 CA GLU A 35 -10.908 7.610 3.137 1.00 0.00 C ATOM 526 C GLU A 35 -9.732 8.561 2.904 1.00 0.00 C ATOM 527 O GLU A 35 -9.687 9.627 3.524 1.00 0.00 O ATOM 528 CB GLU A 35 -10.650 6.434 4.105 1.00 0.00 C ATOM 529 CG GLU A 35 -9.333 5.642 4.079 1.00 0.00 C ATOM 530 CD GLU A 35 -9.076 5.005 5.459 1.00 0.00 C ATOM 531 OE1 GLU A 35 -8.845 5.734 6.452 1.00 0.00 O ATOM 532 OE2 GLU A 35 -9.253 3.771 5.605 1.00 0.00 O ATOM 0 H GLU A 35 -11.252 6.164 1.677 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.651 8.213 3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.763 6.826 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.454 5.715 3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.380 4.867 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.507 6.302 3.814 1.00 0.00 H new ATOM 539 N CYS A 36 -8.820 8.253 1.970 1.00 0.00 N ATOM 540 CA CYS A 36 -7.761 9.174 1.604 1.00 0.00 C ATOM 541 C CYS A 36 -8.247 10.382 0.796 1.00 0.00 C ATOM 542 O CYS A 36 -7.651 11.450 0.942 1.00 0.00 O ATOM 543 CB CYS A 36 -6.515 8.454 1.056 1.00 0.00 C ATOM 544 SG CYS A 36 -6.801 6.946 0.106 1.00 0.00 S ATOM 0 H CYS A 36 -8.804 7.370 1.460 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.412 9.634 2.528 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.967 9.154 0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.867 8.208 1.897 1.00 0.00 H new ATOM 0 HG CYS A 36 -7.774 6.273 0.643 1.00 0.00 H new ATOM 550 N SER A 37 -9.356 10.301 0.053 1.00 0.00 N ATOM 551 CA SER A 37 -9.955 11.449 -0.623 1.00 0.00 C ATOM 552 C SER A 37 -10.410 12.548 0.348 1.00 0.00 C ATOM 553 O SER A 37 -10.747 13.644 -0.100 1.00 0.00 O ATOM 554 CB SER A 37 -11.175 10.981 -1.425 1.00 0.00 C ATOM 555 OG SER A 37 -10.895 10.701 -2.782 1.00 0.00 O ATOM 0 H SER A 37 -9.864 9.429 -0.095 1.00 0.00 H new ATOM 0 HA SER A 37 -9.186 11.873 -1.268 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.584 10.086 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.947 11.749 -1.374 1.00 0.00 H new ATOM 0 HG SER A 37 -10.637 9.760 -2.875 1.00 0.00 H new ATOM 561 N LYS A 38 -10.467 12.323 1.665 1.00 0.00 N ATOM 562 CA LYS A 38 -11.023 13.325 2.579 1.00 0.00 C ATOM 563 C LYS A 38 -10.241 14.634 2.614 1.00 0.00 C ATOM 564 O LYS A 38 -10.814 15.658 2.987 1.00 0.00 O ATOM 565 CB LYS A 38 -11.176 12.722 3.978 1.00 0.00 C ATOM 566 CG LYS A 38 -12.330 11.721 3.922 1.00 0.00 C ATOM 567 CD LYS A 38 -12.614 11.085 5.278 1.00 0.00 C ATOM 568 CE LYS A 38 -13.949 10.333 5.287 1.00 0.00 C ATOM 569 NZ LYS A 38 -15.092 11.172 4.877 1.00 0.00 N ATOM 0 H LYS A 38 -10.140 11.469 2.116 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.005 13.597 2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.254 12.228 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.380 13.502 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.228 12.225 3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.095 10.940 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.808 10.397 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.627 11.858 6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.879 9.474 4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.133 9.944 6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.975 10.752 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.981 12.127 5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.126 11.229 3.839 1.00 0.00 H new ATOM 583 N TYR A 39 -8.978 14.633 2.189 1.00 0.00 N ATOM 584 CA TYR A 39 -8.046 15.723 2.444 1.00 0.00 C ATOM 585 C TYR A 39 -7.565 16.402 1.150 1.00 0.00 C ATOM 586 O TYR A 39 -6.731 17.310 1.200 1.00 0.00 O ATOM 587 CB TYR A 39 -6.906 15.180 3.321 1.00 0.00 C ATOM 588 CG TYR A 39 -7.372 14.374 4.528 1.00 0.00 C ATOM 589 CD1 TYR A 39 -7.779 15.035 5.704 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.483 12.972 4.444 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.284 14.301 6.796 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.965 12.231 5.539 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.363 12.889 6.724 1.00 0.00 C ATOM 594 OH TYR A 39 -8.850 12.170 7.775 1.00 0.00 O ATOM 0 H TYR A 39 -8.572 13.866 1.653 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.549 16.524 2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.259 14.553 2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.301 16.017 3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.704 16.110 5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.197 12.464 3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -8.611 14.815 7.688 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.031 11.155 5.473 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.107 11.752 8.258 1.00 0.00 H new ATOM 604 N GLY A 40 -8.096 15.987 -0.005 1.00 0.00 N ATOM 605 CA GLY A 40 -7.607 16.329 -1.331 1.00 0.00 C ATOM 606 C GLY A 40 -8.179 15.307 -2.305 1.00 0.00 C ATOM 607 O GLY A 40 -9.351 14.949 -2.173 1.00 0.00 O ATOM 0 H GLY A 40 -8.913 15.378 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.917 17.337 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.517 16.313 -1.354 1.00 0.00 H new ATOM 611 N LEU A 41 -7.401 14.832 -3.280 1.00 0.00 N ATOM 612 CA LEU A 41 -7.840 13.835 -4.248 1.00 0.00 C ATOM 613 C LEU A 41 -6.734 12.805 -4.462 1.00 0.00 C ATOM 614 O LEU A 41 -5.566 13.162 -4.631 1.00 0.00 O ATOM 615 CB LEU A 41 -8.205 14.595 -5.527 1.00 0.00 C ATOM 616 CG LEU A 41 -8.887 13.817 -6.668 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.926 13.039 -7.563 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.971 12.883 -6.146 1.00 0.00 C ATOM 0 H LEU A 41 -6.437 15.135 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.711 13.276 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.861 15.420 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.291 15.035 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.338 14.590 -7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.490 12.521 -8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.221 13.729 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.380 12.310 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.428 12.353 -6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.530 12.163 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.732 13.464 -5.625 1.00 0.00 H new ATOM 630 N VAL A 42 -7.091 11.522 -4.439 1.00 0.00 N ATOM 631 CA VAL A 42 -6.163 10.410 -4.596 1.00 0.00 C ATOM 632 C VAL A 42 -5.956 10.157 -6.096 1.00 0.00 C ATOM 633 O VAL A 42 -6.909 9.907 -6.840 1.00 0.00 O ATOM 634 CB VAL A 42 -6.708 9.158 -3.881 1.00 0.00 C ATOM 635 CG1 VAL A 42 -5.611 8.096 -3.759 1.00 0.00 C ATOM 636 CG2 VAL A 42 -7.255 9.441 -2.473 1.00 0.00 C ATOM 0 H VAL A 42 -8.057 11.223 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.202 10.650 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.535 8.807 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.010 7.217 -3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.264 7.815 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.777 8.499 -3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.621 8.514 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.460 9.851 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.072 10.159 -2.538 1.00 0.00 H new ATOM 646 N LYS A 43 -4.708 10.227 -6.553 1.00 0.00 N ATOM 647 CA LYS A 43 -4.310 9.857 -7.905 1.00 0.00 C ATOM 648 C LYS A 43 -4.348 8.336 -8.032 1.00 0.00 C ATOM 649 O LYS A 43 -5.133 7.819 -8.823 1.00 0.00 O ATOM 650 CB LYS A 43 -2.908 10.407 -8.210 1.00 0.00 C ATOM 651 CG LYS A 43 -2.559 10.349 -9.704 1.00 0.00 C ATOM 652 CD LYS A 43 -3.163 11.540 -10.460 1.00 0.00 C ATOM 653 CE LYS A 43 -3.297 11.238 -11.956 1.00 0.00 C ATOM 654 NZ LYS A 43 -2.010 11.271 -12.677 1.00 0.00 N ATOM 0 H LYS A 43 -3.929 10.550 -5.979 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.000 10.288 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.845 11.440 -7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.169 9.838 -7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.476 10.347 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.930 9.417 -10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.143 11.778 -10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.535 12.420 -10.319 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.750 10.255 -12.082 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.976 11.962 -12.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.170 11.059 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.585 12.216 -12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.367 10.562 -12.272 1.00 0.00 H new ATOM 668 N SER A 44 -3.548 7.612 -7.246 1.00 0.00 N ATOM 669 CA SER A 44 -3.469 6.157 -7.290 1.00 0.00 C ATOM 670 C SER A 44 -3.068 5.633 -5.922 1.00 0.00 C ATOM 671 O SER A 44 -2.630 6.381 -5.044 1.00 0.00 O ATOM 672 CB SER A 44 -2.459 5.733 -8.371 1.00 0.00 C ATOM 673 OG SER A 44 -2.544 4.341 -8.614 1.00 0.00 O ATOM 0 H SER A 44 -2.929 8.030 -6.552 1.00 0.00 H new ATOM 0 HA SER A 44 -4.440 5.734 -7.546 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.653 6.281 -9.293 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.449 5.991 -8.054 1.00 0.00 H new ATOM 0 HG SER A 44 -1.896 4.089 -9.305 1.00 0.00 H new ATOM 679 N ILE A 45 -3.225 4.324 -5.742 1.00 0.00 N ATOM 680 CA ILE A 45 -2.778 3.580 -4.590 1.00 0.00 C ATOM 681 C ILE A 45 -2.095 2.347 -5.165 1.00 0.00 C ATOM 682 O ILE A 45 -2.682 1.590 -5.949 1.00 0.00 O ATOM 683 CB ILE A 45 -3.938 3.225 -3.646 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.743 4.437 -3.140 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.331 2.522 -2.422 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.239 4.143 -3.036 1.00 0.00 C ATOM 0 H ILE A 45 -3.690 3.735 -6.433 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.097 4.161 -3.968 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.633 2.604 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.366 4.737 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.587 5.280 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.125 2.253 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.809 1.621 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.628 3.193 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.760 5.030 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.625 3.870 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.400 3.319 -2.341 1.00 0.00 H new ATOM 698 N GLU A 46 -0.837 2.176 -4.785 1.00 0.00 N ATOM 699 CA GLU A 46 0.094 1.234 -5.381 1.00 0.00 C ATOM 700 C GLU A 46 0.397 0.111 -4.393 1.00 0.00 C ATOM 701 O GLU A 46 0.913 0.351 -3.298 1.00 0.00 O ATOM 702 CB GLU A 46 1.315 1.961 -5.966 1.00 0.00 C ATOM 703 CG GLU A 46 2.216 1.109 -6.884 1.00 0.00 C ATOM 704 CD GLU A 46 1.554 0.405 -8.092 1.00 0.00 C ATOM 705 OE1 GLU A 46 0.335 0.543 -8.365 1.00 0.00 O ATOM 706 OE2 GLU A 46 2.232 -0.425 -8.738 1.00 0.00 O ATOM 0 H GLU A 46 -0.422 2.712 -4.023 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.355 0.742 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.966 2.826 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.920 2.340 -5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.010 1.752 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.692 0.344 -6.270 1.00 0.00 H new ATOM 713 N ILE A 47 -0.035 -1.103 -4.756 1.00 0.00 N ATOM 714 CA ILE A 47 -0.096 -2.282 -3.896 1.00 0.00 C ATOM 715 C ILE A 47 0.457 -3.475 -4.689 1.00 0.00 C ATOM 716 O ILE A 47 -0.286 -4.165 -5.384 1.00 0.00 O ATOM 717 CB ILE A 47 -1.533 -2.543 -3.360 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.209 -1.261 -2.824 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.473 -3.660 -2.293 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.599 -1.479 -2.218 1.00 0.00 C ATOM 0 H ILE A 47 -0.366 -1.294 -5.702 1.00 0.00 H new ATOM 0 HA ILE A 47 0.514 -2.121 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.161 -2.872 -4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.563 -0.814 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.291 -0.541 -3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.475 -3.851 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.076 -4.571 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.825 -3.347 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.997 -0.526 -1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.265 -1.894 -2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.526 -2.172 -1.380 1.00 0.00 H new ATOM 732 N PRO A 48 1.779 -3.705 -4.691 1.00 0.00 N ATOM 733 CA PRO A 48 2.329 -4.906 -5.303 1.00 0.00 C ATOM 734 C PRO A 48 1.859 -6.145 -4.531 1.00 0.00 C ATOM 735 O PRO A 48 1.632 -6.094 -3.319 1.00 0.00 O ATOM 736 CB PRO A 48 3.846 -4.731 -5.260 1.00 0.00 C ATOM 737 CG PRO A 48 4.042 -3.873 -4.016 1.00 0.00 C ATOM 738 CD PRO A 48 2.810 -2.972 -3.977 1.00 0.00 C ATOM 0 HA PRO A 48 1.996 -5.048 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.363 -5.687 -5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.224 -4.239 -6.156 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.114 -4.486 -3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.960 -3.288 -4.077 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.506 -2.764 -2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.010 -2.011 -4.451 1.00 0.00 H new ATOM 746 N ARG A 49 1.733 -7.263 -5.238 1.00 0.00 N ATOM 747 CA ARG A 49 1.295 -8.565 -4.742 1.00 0.00 C ATOM 748 C ARG A 49 2.504 -9.503 -4.628 1.00 0.00 C ATOM 749 O ARG A 49 3.580 -9.177 -5.156 1.00 0.00 O ATOM 750 CB ARG A 49 0.207 -9.096 -5.703 1.00 0.00 C ATOM 751 CG ARG A 49 -1.179 -8.502 -5.383 1.00 0.00 C ATOM 752 CD ARG A 49 -1.893 -7.823 -6.559 1.00 0.00 C ATOM 753 NE ARG A 49 -2.494 -8.774 -7.513 1.00 0.00 N ATOM 754 CZ ARG A 49 -2.658 -8.582 -8.828 1.00 0.00 C ATOM 755 NH1 ARG A 49 -2.167 -7.493 -9.419 1.00 0.00 N ATOM 756 NH2 ARG A 49 -3.324 -9.462 -9.563 1.00 0.00 N ATOM 0 H ARG A 49 1.947 -7.287 -6.235 1.00 0.00 H new ATOM 0 HA ARG A 49 0.863 -8.494 -3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.479 -8.852 -6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.161 -10.183 -5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.818 -9.299 -5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.067 -7.774 -4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.673 -7.169 -6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.181 -7.190 -7.089 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.816 -9.665 -7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.662 -6.798 -8.869 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.296 -7.354 -10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.718 -10.296 -9.128 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.442 -9.305 -10.564 1.00 0.00 H new ATOM 770 N PRO A 50 2.383 -10.640 -3.922 1.00 0.00 N ATOM 771 CA PRO A 50 3.427 -11.659 -3.860 1.00 0.00 C ATOM 772 C PRO A 50 3.647 -12.301 -5.236 1.00 0.00 C ATOM 773 O PRO A 50 2.911 -12.027 -6.189 1.00 0.00 O ATOM 774 CB PRO A 50 2.955 -12.655 -2.795 1.00 0.00 C ATOM 775 CG PRO A 50 1.435 -12.535 -2.829 1.00 0.00 C ATOM 776 CD PRO A 50 1.221 -11.059 -3.151 1.00 0.00 C ATOM 0 HA PRO A 50 4.400 -11.249 -3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.281 -13.670 -3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.354 -12.407 -1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.995 -13.183 -3.587 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.986 -12.810 -1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.303 -10.914 -3.720 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.127 -10.471 -2.238 1.00 0.00 H new ATOM 866 N PRO A 57 10.639 -8.020 -2.720 1.00 0.00 N ATOM 867 CA PRO A 57 11.094 -6.779 -2.133 1.00 0.00 C ATOM 868 C PRO A 57 9.933 -5.782 -2.126 1.00 0.00 C ATOM 869 O PRO A 57 9.143 -5.693 -3.074 1.00 0.00 O ATOM 870 CB PRO A 57 12.280 -6.332 -2.988 1.00 0.00 C ATOM 871 CG PRO A 57 11.986 -6.938 -4.358 1.00 0.00 C ATOM 872 CD PRO A 57 11.302 -8.254 -3.997 1.00 0.00 C ATOM 0 HA PRO A 57 11.415 -6.872 -1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.351 -5.245 -3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.225 -6.695 -2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.340 -6.295 -4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.897 -7.099 -4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.583 -8.544 -4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.028 -9.063 -3.918 1.00 0.00 H new ATOM 880 N GLY A 58 9.816 -5.055 -1.021 1.00 0.00 N ATOM 881 CA GLY A 58 8.913 -3.921 -0.902 1.00 0.00 C ATOM 882 C GLY A 58 7.478 -4.325 -0.597 1.00 0.00 C ATOM 883 O GLY A 58 6.594 -3.470 -0.663 1.00 0.00 O ATOM 0 H GLY A 58 10.353 -5.240 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.273 -3.260 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.933 -3.350 -1.830 1.00 0.00 H new ATOM 887 N CYS A 59 7.233 -5.598 -0.280 1.00 0.00 N ATOM 888 CA CYS A 59 5.900 -6.123 -0.037 1.00 0.00 C ATOM 889 C CYS A 59 5.362 -5.681 1.342 1.00 0.00 C ATOM 890 O CYS A 59 6.124 -5.355 2.261 1.00 0.00 O ATOM 891 CB CYS A 59 5.968 -7.645 -0.227 1.00 0.00 C ATOM 892 SG CYS A 59 4.339 -8.364 -0.597 1.00 0.00 S ATOM 0 H CYS A 59 7.969 -6.298 -0.185 1.00 0.00 H new ATOM 0 HA CYS A 59 5.178 -5.718 -0.746 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.659 -7.878 -1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.370 -8.105 0.676 1.00 0.00 H new ATOM 0 HG CYS A 59 4.457 -9.650 -0.750 1.00 0.00 H new ATOM 898 N GLY A 60 4.036 -5.629 1.485 1.00 0.00 N ATOM 899 CA GLY A 60 3.325 -5.221 2.694 1.00 0.00 C ATOM 900 C GLY A 60 3.291 -3.708 2.954 1.00 0.00 C ATOM 901 O GLY A 60 2.656 -3.267 3.917 1.00 0.00 O ATOM 0 H GLY A 60 3.402 -5.882 0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.300 -5.586 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.788 -5.710 3.551 1.00 0.00 H new ATOM 905 N LYS A 61 3.972 -2.901 2.136 1.00 0.00 N ATOM 906 CA LYS A 61 3.941 -1.437 2.199 1.00 0.00 C ATOM 907 C LYS A 61 2.955 -0.945 1.145 1.00 0.00 C ATOM 908 O LYS A 61 2.846 -1.573 0.095 1.00 0.00 O ATOM 909 CB LYS A 61 5.341 -0.864 1.920 1.00 0.00 C ATOM 910 CG LYS A 61 6.443 -1.360 2.874 1.00 0.00 C ATOM 911 CD LYS A 61 7.496 -2.212 2.150 1.00 0.00 C ATOM 912 CE LYS A 61 8.634 -2.537 3.121 1.00 0.00 C ATOM 913 NZ LYS A 61 9.715 -3.352 2.523 1.00 0.00 N ATOM 0 H LYS A 61 4.575 -3.256 1.394 1.00 0.00 H new ATOM 0 HA LYS A 61 3.632 -1.108 3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.624 -1.116 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.292 0.223 1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.929 -0.504 3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.992 -1.946 3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.044 -3.132 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.883 -1.675 1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.058 -1.605 3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.225 -3.067 3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.389 -3.632 3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.307 -4.203 2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.210 -2.794 1.798 1.00 0.00 H new ATOM 927 N ILE A 62 2.246 0.153 1.372 1.00 0.00 N ATOM 928 CA ILE A 62 1.302 0.695 0.399 1.00 0.00 C ATOM 929 C ILE A 62 1.662 2.154 0.215 1.00 0.00 C ATOM 930 O ILE A 62 1.983 2.849 1.178 1.00 0.00 O ATOM 931 CB ILE A 62 -0.158 0.442 0.839 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.414 -1.074 0.637 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.138 1.306 0.021 1.00 0.00 C ATOM 934 CD1 ILE A 62 -1.815 -1.596 0.951 1.00 0.00 C ATOM 0 H ILE A 62 2.308 0.694 2.235 1.00 0.00 H new ATOM 0 HA ILE A 62 1.372 0.196 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.316 0.721 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.188 -1.319 -0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.297 -1.622 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.158 1.109 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.906 2.360 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.044 1.060 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.853 -2.670 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.051 -1.399 1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.542 -1.092 0.314 1.00 0.00 H new ATOM 946 N PHE A 63 1.604 2.615 -1.028 1.00 0.00 N ATOM 947 CA PHE A 63 2.013 3.952 -1.402 1.00 0.00 C ATOM 948 C PHE A 63 0.821 4.623 -2.074 1.00 0.00 C ATOM 949 O PHE A 63 0.130 3.993 -2.876 1.00 0.00 O ATOM 950 CB PHE A 63 3.244 3.838 -2.308 1.00 0.00 C ATOM 951 CG PHE A 63 4.335 2.955 -1.747 1.00 0.00 C ATOM 952 CD1 PHE A 63 5.289 3.489 -0.864 1.00 0.00 C ATOM 953 CD2 PHE A 63 4.347 1.582 -2.052 1.00 0.00 C ATOM 954 CE1 PHE A 63 6.248 2.646 -0.284 1.00 0.00 C ATOM 955 CE2 PHE A 63 5.287 0.737 -1.447 1.00 0.00 C ATOM 956 CZ PHE A 63 6.239 1.269 -0.561 1.00 0.00 C ATOM 0 H PHE A 63 1.266 2.058 -1.812 1.00 0.00 H new ATOM 0 HA PHE A 63 2.301 4.567 -0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.935 3.447 -3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.649 4.835 -2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.284 4.544 -0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.631 1.179 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.996 3.057 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.280 -0.321 -1.661 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.964 0.619 -0.093 1.00 0.00 H new ATOM 966 N VAL A 64 0.565 5.899 -1.795 1.00 0.00 N ATOM 967 CA VAL A 64 -0.680 6.550 -2.217 1.00 0.00 C ATOM 968 C VAL A 64 -0.291 7.882 -2.858 1.00 0.00 C ATOM 969 O VAL A 64 0.246 8.747 -2.177 1.00 0.00 O ATOM 970 CB VAL A 64 -1.638 6.681 -1.009 1.00 0.00 C ATOM 971 CG1 VAL A 64 -2.950 7.386 -1.367 1.00 0.00 C ATOM 972 CG2 VAL A 64 -1.991 5.374 -0.296 1.00 0.00 C ATOM 0 H VAL A 64 1.202 6.506 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.231 5.967 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.048 7.284 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.582 7.449 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.735 8.390 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.467 6.821 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.667 5.583 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.477 4.696 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.081 4.910 0.085 1.00 0.00 H new ATOM 982 N GLU A 65 -0.447 8.018 -4.170 1.00 0.00 N ATOM 983 CA GLU A 65 -0.138 9.232 -4.918 1.00 0.00 C ATOM 984 C GLU A 65 -1.386 10.117 -4.920 1.00 0.00 C ATOM 985 O GLU A 65 -2.503 9.606 -5.042 1.00 0.00 O ATOM 986 CB GLU A 65 0.408 8.816 -6.295 1.00 0.00 C ATOM 987 CG GLU A 65 0.763 9.949 -7.259 1.00 0.00 C ATOM 988 CD GLU A 65 1.553 9.521 -8.503 1.00 0.00 C ATOM 989 OE1 GLU A 65 1.155 8.547 -9.192 1.00 0.00 O ATOM 990 OE2 GLU A 65 2.500 10.266 -8.836 1.00 0.00 O ATOM 0 H GLU A 65 -0.802 7.265 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 65 0.646 9.843 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.300 8.209 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.332 8.177 -6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.159 10.433 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.343 10.697 -6.718 1.00 0.00 H new ATOM 997 N PHE A 66 -1.213 11.429 -4.747 1.00 0.00 N ATOM 998 CA PHE A 66 -2.286 12.422 -4.659 1.00 0.00 C ATOM 999 C PHE A 66 -2.131 13.467 -5.764 1.00 0.00 C ATOM 1000 O PHE A 66 -1.152 13.469 -6.507 1.00 0.00 O ATOM 1001 CB PHE A 66 -2.285 13.085 -3.270 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.740 12.192 -2.132 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -1.820 11.367 -1.459 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -4.090 12.193 -1.735 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -2.248 10.574 -0.381 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.509 11.417 -0.641 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.587 10.606 0.040 1.00 0.00 C ATOM 0 H PHE A 66 -0.286 11.845 -4.661 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.244 11.921 -4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.277 13.438 -3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.930 13.963 -3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.786 11.343 -1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.808 12.793 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.542 9.935 0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.541 11.444 -0.324 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.906 10.010 0.883 1.00 0.00 H new ATOM 1017 N THR A 67 -3.104 14.371 -5.874 1.00 0.00 N ATOM 1018 CA THR A 67 -3.115 15.464 -6.836 1.00 0.00 C ATOM 1019 C THR A 67 -1.901 16.392 -6.724 1.00 0.00 C ATOM 1020 O THR A 67 -1.464 16.929 -7.745 1.00 0.00 O ATOM 1021 CB THR A 67 -4.436 16.246 -6.679 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.941 16.187 -5.349 1.00 0.00 O ATOM 1023 CG2 THR A 67 -5.483 15.620 -7.599 1.00 0.00 C ATOM 0 H THR A 67 -3.930 14.359 -5.276 1.00 0.00 H new ATOM 0 HA THR A 67 -3.048 15.032 -7.834 1.00 0.00 H new ATOM 0 HB THR A 67 -4.236 17.288 -6.929 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.666 16.990 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.424 16.161 -7.500 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.139 15.675 -8.632 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.634 14.577 -7.322 1.00 0.00 H new ATOM 1031 N SER A 68 -1.351 16.593 -5.523 1.00 0.00 N ATOM 1032 CA SER A 68 -0.173 17.419 -5.287 1.00 0.00 C ATOM 1033 C SER A 68 0.343 17.212 -3.868 1.00 0.00 C ATOM 1034 O SER A 68 -0.366 16.706 -2.995 1.00 0.00 O ATOM 1035 CB SER A 68 -0.539 18.895 -5.496 1.00 0.00 C ATOM 1036 OG SER A 68 -0.355 19.238 -6.851 1.00 0.00 O ATOM 0 H SER A 68 -1.724 16.174 -4.671 1.00 0.00 H new ATOM 0 HA SER A 68 0.611 17.132 -5.988 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.574 19.069 -5.203 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.082 19.528 -4.862 1.00 0.00 H new ATOM 0 HG SER A 68 -0.696 18.517 -7.420 1.00 0.00 H new ATOM 1042 N VAL A 69 1.562 17.706 -3.618 1.00 0.00 N ATOM 1043 CA VAL A 69 2.203 17.710 -2.305 1.00 0.00 C ATOM 1044 C VAL A 69 1.265 18.325 -1.255 1.00 0.00 C ATOM 1045 O VAL A 69 1.105 17.841 -0.140 1.00 0.00 O ATOM 1046 CB VAL A 69 3.569 18.433 -2.358 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.399 18.029 -1.135 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.385 18.125 -3.625 1.00 0.00 C ATOM 0 H VAL A 69 2.142 18.124 -4.345 1.00 0.00 H new ATOM 0 HA VAL A 69 2.401 16.680 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 69 3.352 19.501 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.364 18.536 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.869 18.313 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.555 16.950 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.330 18.668 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.583 17.055 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.821 18.434 -4.505 1.00 0.00 H new ATOM 1058 N PHE A 70 0.567 19.385 -1.637 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.307 20.151 -0.765 1.00 0.00 C ATOM 1060 C PHE A 70 -1.609 19.437 -0.406 1.00 0.00 C ATOM 1061 O PHE A 70 -2.400 19.986 0.364 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.562 21.480 -1.470 1.00 0.00 C ATOM 1063 CG PHE A 70 0.628 22.395 -1.292 1.00 0.00 C ATOM 1064 CD1 PHE A 70 1.797 22.204 -2.056 1.00 0.00 C ATOM 1065 CD2 PHE A 70 0.633 23.316 -0.230 1.00 0.00 C ATOM 1066 CE1 PHE A 70 2.978 22.881 -1.719 1.00 0.00 C ATOM 1067 CE2 PHE A 70 1.804 24.025 0.076 1.00 0.00 C ATOM 1068 CZ PHE A 70 2.985 23.789 -0.650 1.00 0.00 C ATOM 0 H PHE A 70 0.595 19.745 -2.591 1.00 0.00 H new ATOM 0 HA PHE A 70 0.180 20.295 0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.745 21.309 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.457 21.951 -1.064 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.783 21.534 -2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.264 23.478 0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.882 22.703 -2.283 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.799 24.755 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.896 24.306 -0.385 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.850 18.244 -0.941 1.00 0.00 N ATOM 1079 CA ASP A 71 -2.995 17.411 -0.603 1.00 0.00 C ATOM 1080 C ASP A 71 -2.523 16.205 0.203 1.00 0.00 C ATOM 1081 O ASP A 71 -3.220 15.763 1.122 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.724 16.987 -1.887 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.452 18.153 -2.564 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -5.020 19.026 -1.864 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -4.400 18.228 -3.813 1.00 0.00 O ATOM 0 H ASP A 71 -1.238 17.821 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.700 17.972 0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.004 16.559 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.443 16.203 -1.650 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.323 15.683 -0.077 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.813 14.513 0.619 1.00 0.00 C ATOM 1092 C CYS A 72 -0.344 14.916 2.022 1.00 0.00 C ATOM 1093 O CYS A 72 -0.545 14.166 2.975 1.00 0.00 O ATOM 1094 CB CYS A 72 0.323 13.872 -0.175 1.00 0.00 C ATOM 1095 SG CYS A 72 1.770 14.926 -0.272 1.00 0.00 S ATOM 0 H CYS A 72 -0.691 16.059 -0.784 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.609 13.775 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.598 12.925 0.289 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.025 13.644 -1.182 1.00 0.00 H new ATOM 0 HG CYS A 72 2.805 14.212 -0.602 1.00 0.00 H new ATOM 1101 N GLN A 73 0.199 16.132 2.161 1.00 0.00 N ATOM 1102 CA GLN A 73 0.600 16.774 3.407 1.00 0.00 C ATOM 1103 C GLN A 73 -0.514 16.728 4.455 1.00 0.00 C ATOM 1104 O GLN A 73 -0.255 16.625 5.658 1.00 0.00 O ATOM 1105 CB GLN A 73 0.963 18.240 3.091 1.00 0.00 C ATOM 1106 CG GLN A 73 2.402 18.469 2.598 1.00 0.00 C ATOM 1107 CD GLN A 73 3.285 19.310 3.522 1.00 0.00 C ATOM 1108 OE1 GLN A 73 2.869 19.931 4.503 1.00 0.00 O ATOM 1109 NE2 GLN A 73 4.542 19.453 3.157 1.00 0.00 N ATOM 0 H GLN A 73 0.379 16.726 1.352 1.00 0.00 H new ATOM 0 HA GLN A 73 1.454 16.240 3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.273 18.613 2.334 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.804 18.838 3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.877 17.499 2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.361 18.953 1.622 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.899 18.945 2.348 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.159 20.072 3.684 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.761 16.841 4.003 1.00 0.00 N ATOM 1119 CA LYS A 74 -2.935 16.850 4.855 1.00 0.00 C ATOM 1120 C LYS A 74 -3.340 15.412 5.151 1.00 0.00 C ATOM 1121 O LYS A 74 -3.589 15.065 6.308 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.052 17.627 4.147 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.567 18.993 3.632 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.754 19.811 3.140 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.318 21.211 2.708 1.00 0.00 C ATOM 1126 NZ LYS A 74 -5.441 21.926 2.077 1.00 0.00 N ATOM 0 H LYS A 74 -1.982 16.931 3.011 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.730 17.343 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.430 17.038 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.884 17.774 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.049 19.529 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.850 18.853 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.229 19.300 2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.500 19.887 3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.962 21.771 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.485 21.140 2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.130 22.876 1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.763 21.398 1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.225 22.010 2.756 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.371 14.575 4.107 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.710 13.167 4.213 1.00 0.00 C ATOM 1142 C ALA A 75 -2.816 12.457 5.225 1.00 0.00 C ATOM 1143 O ALA A 75 -3.357 11.725 6.044 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.634 12.487 2.844 1.00 0.00 C ATOM 0 H ALA A 75 -3.157 14.870 3.154 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.737 13.096 4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.892 11.433 2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.334 12.967 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.622 12.576 2.449 1.00 0.00 H new ATOM 1150 N MET A 76 -1.489 12.679 5.194 1.00 0.00 N ATOM 1151 CA MET A 76 -0.521 12.041 6.089 1.00 0.00 C ATOM 1152 C MET A 76 -1.044 12.116 7.514 1.00 0.00 C ATOM 1153 O MET A 76 -1.346 11.102 8.141 1.00 0.00 O ATOM 1154 CB MET A 76 0.886 12.694 5.997 1.00 0.00 C ATOM 1155 CG MET A 76 1.921 11.726 5.426 1.00 0.00 C ATOM 1156 SD MET A 76 3.669 12.137 5.650 1.00 0.00 S ATOM 1157 CE MET A 76 3.997 11.456 7.287 1.00 0.00 C ATOM 0 H MET A 76 -1.056 13.321 4.530 1.00 0.00 H new ATOM 0 HA MET A 76 -0.407 11.001 5.782 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.834 13.584 5.369 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.201 13.021 6.988 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.747 10.747 5.872 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.734 11.627 4.357 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.028 11.668 7.569 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.321 11.910 8.012 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.840 10.377 7.271 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.172 13.332 8.033 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.527 13.539 9.421 1.00 0.00 C ATOM 1169 C GLN A 77 -2.964 13.101 9.699 1.00 0.00 C ATOM 1170 O GLN A 77 -3.228 12.589 10.786 1.00 0.00 O ATOM 1171 CB GLN A 77 -1.340 15.019 9.744 1.00 0.00 C ATOM 1172 CG GLN A 77 0.124 15.456 9.662 1.00 0.00 C ATOM 1173 CD GLN A 77 0.233 16.919 10.060 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -0.204 17.291 11.146 1.00 0.00 O ATOM 1175 NE2 GLN A 77 0.784 17.751 9.199 1.00 0.00 N ATOM 0 H GLN A 77 -1.033 14.192 7.503 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.883 12.932 10.057 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.933 15.616 9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.720 15.220 10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.737 14.841 10.321 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.502 15.313 8.650 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.135 17.403 8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.859 18.743 9.425 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.874 13.268 8.736 1.00 0.00 N ATOM 1185 CA GLY A 78 -5.272 12.892 8.890 1.00 0.00 C ATOM 1186 C GLY A 78 -5.510 11.386 8.861 1.00 0.00 C ATOM 1187 O GLY A 78 -6.645 10.961 9.086 1.00 0.00 O ATOM 0 H GLY A 78 -3.655 13.670 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.644 13.291 9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.854 13.358 8.095 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.484 10.580 8.561 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.587 9.130 8.406 1.00 0.00 C ATOM 1193 C LEU A 79 -3.501 8.392 9.204 1.00 0.00 C ATOM 1194 O LEU A 79 -3.510 7.161 9.280 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.583 8.774 6.907 1.00 0.00 C ATOM 1196 CG LEU A 79 -5.793 9.368 6.140 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -5.602 9.361 4.624 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.106 8.648 6.482 1.00 0.00 C ATOM 0 H LEU A 79 -3.537 10.930 8.416 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.533 8.790 8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.660 9.137 6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.587 7.690 6.797 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.854 10.404 6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.482 9.789 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.724 9.953 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.463 8.336 4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.925 9.099 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.022 7.594 6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.304 8.740 7.550 1.00 0.00 H new ATOM 1210 N THR A 80 -2.591 9.111 9.863 1.00 0.00 N ATOM 1211 CA THR A 80 -1.583 8.540 10.746 1.00 0.00 C ATOM 1212 C THR A 80 -2.281 7.848 11.925 1.00 0.00 C ATOM 1213 O THR A 80 -2.824 8.521 12.798 1.00 0.00 O ATOM 1214 CB THR A 80 -0.606 9.640 11.193 1.00 0.00 C ATOM 1215 OG1 THR A 80 0.091 10.127 10.064 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.449 9.127 12.176 1.00 0.00 C ATOM 0 H THR A 80 -2.536 10.127 9.794 1.00 0.00 H new ATOM 0 HA THR A 80 -0.995 7.785 10.225 1.00 0.00 H new ATOM 0 HB THR A 80 -1.203 10.410 11.681 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.551 10.453 9.399 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.112 9.945 12.458 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.043 8.735 13.066 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.031 8.335 11.705 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.262 6.512 11.966 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.855 5.701 13.030 1.00 0.00 C ATOM 1226 C GLY A 81 -4.282 5.255 12.720 1.00 0.00 C ATOM 1227 O GLY A 81 -4.861 4.530 13.531 1.00 0.00 O ATOM 0 H GLY A 81 -1.820 5.950 11.238 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.234 4.821 13.197 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.853 6.273 13.958 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.845 5.618 11.559 1.00 0.00 N ATOM 1232 CA ARG A 82 -6.064 4.991 11.066 1.00 0.00 C ATOM 1233 C ARG A 82 -5.793 3.514 10.770 1.00 0.00 C ATOM 1234 O ARG A 82 -4.678 3.013 10.949 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.605 5.789 9.863 1.00 0.00 C ATOM 1236 CG ARG A 82 -7.413 7.024 10.321 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.870 7.017 9.841 1.00 0.00 C ATOM 1238 NE ARG A 82 -9.760 7.668 10.824 1.00 0.00 N ATOM 1239 CZ ARG A 82 -10.948 7.187 11.214 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -11.603 6.285 10.496 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -11.482 7.599 12.352 1.00 0.00 N ATOM 0 H ARG A 82 -4.470 6.344 10.948 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.851 5.011 11.820 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.774 6.109 9.234 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.238 5.145 9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.398 7.074 11.410 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.922 7.925 9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.943 7.533 8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.196 5.990 9.675 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.447 8.547 11.236 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -11.204 5.940 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.506 5.936 10.817 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.989 8.281 12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.386 7.235 12.652 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.827 2.786 10.361 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.808 1.336 10.283 1.00 0.00 C ATOM 1257 C LYS A 83 -7.355 0.961 8.922 1.00 0.00 C ATOM 1258 O LYS A 83 -8.559 0.800 8.771 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.616 0.720 11.441 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.082 1.103 12.833 1.00 0.00 C ATOM 1261 CD LYS A 83 -7.992 0.538 13.926 1.00 0.00 C ATOM 1262 CE LYS A 83 -7.574 1.069 15.302 1.00 0.00 C ATOM 1263 NZ LYS A 83 -8.539 0.683 16.348 1.00 0.00 N ATOM 0 H LYS A 83 -7.714 3.197 10.071 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.797 0.941 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.655 1.039 11.359 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.607 -0.366 11.343 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.069 0.720 12.959 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.026 2.188 12.922 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.027 0.813 13.723 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.944 -0.551 13.920 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.587 0.684 15.557 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.492 2.155 15.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.225 1.059 17.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.476 1.072 16.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.598 -0.354 16.400 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.495 0.844 7.908 1.00 0.00 N ATOM 1278 CA PHE A 84 -6.963 0.738 6.514 1.00 0.00 C ATOM 1279 C PHE A 84 -7.418 -0.691 6.162 1.00 0.00 C ATOM 1280 O PHE A 84 -7.685 -1.004 5.003 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.838 1.215 5.578 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.672 2.716 5.378 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -5.946 3.654 6.392 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.188 3.178 4.140 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -5.707 5.020 6.172 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -4.963 4.544 3.912 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.214 5.468 4.936 1.00 0.00 C ATOM 0 H PHE A 84 -5.481 0.820 8.018 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.839 1.373 6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.896 0.821 5.959 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.001 0.762 4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.341 3.322 7.341 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.986 2.468 3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.904 5.732 6.960 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.599 4.882 2.953 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.029 6.520 4.775 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.587 -1.514 7.189 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.397 -2.706 7.305 1.00 0.00 C ATOM 1299 C ALA A 85 -8.555 -2.876 8.806 1.00 0.00 C ATOM 1300 O ALA A 85 -9.496 -2.354 9.394 1.00 0.00 O ATOM 1301 CB ALA A 85 -7.787 -3.915 6.595 1.00 0.00 C ATOM 0 H ALA A 85 -7.096 -1.333 8.064 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.361 -2.618 6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.441 -4.778 6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.673 -3.695 5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.811 -4.136 7.026 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.587 -3.509 9.468 1.00 0.00 N ATOM 1308 CA ASN A 86 -7.742 -3.951 10.849 1.00 0.00 C ATOM 1309 C ASN A 86 -6.420 -3.888 11.625 1.00 0.00 C ATOM 1310 O ASN A 86 -6.279 -4.546 12.656 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.384 -5.352 10.824 1.00 0.00 C ATOM 1312 CG ASN A 86 -9.909 -5.282 10.830 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -10.513 -4.597 11.651 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -10.564 -5.965 9.907 1.00 0.00 N ATOM 0 H ASN A 86 -6.677 -3.728 9.062 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.401 -3.276 11.396 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.049 -5.889 9.936 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.044 -5.922 11.688 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.583 -5.927 9.871 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -10.051 -6.530 9.231 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.422 -3.125 11.157 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.152 -2.911 11.862 1.00 0.00 C ATOM 1323 C ARG A 87 -3.799 -1.434 11.877 1.00 0.00 C ATOM 1324 O ARG A 87 -4.474 -0.631 11.238 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.032 -3.714 11.194 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.374 -5.203 11.160 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.172 -6.115 10.903 1.00 0.00 C ATOM 1328 NE ARG A 87 -1.521 -6.533 12.159 1.00 0.00 N ATOM 1329 CZ ARG A 87 -1.922 -7.538 12.952 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -3.077 -8.155 12.727 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -1.181 -7.910 13.990 1.00 0.00 N ATOM 0 H ARG A 87 -5.476 -2.633 10.265 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.264 -3.254 12.890 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.874 -3.350 10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.098 -3.564 11.736 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.831 -5.481 12.109 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.120 -5.376 10.384 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.497 -6.997 10.351 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.449 -5.595 10.275 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.694 -6.012 12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.666 -7.865 11.946 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.374 -8.918 13.335 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.302 -7.431 14.187 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.491 -8.675 14.590 1.00 0.00 H new ATOM 1345 N VAL A 88 -2.765 -1.069 12.625 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.409 0.329 12.870 1.00 0.00 C ATOM 1347 C VAL A 88 -1.495 0.798 11.744 1.00 0.00 C ATOM 1348 O VAL A 88 -0.337 0.386 11.632 1.00 0.00 O ATOM 1349 CB VAL A 88 -1.755 0.538 14.252 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -1.636 2.032 14.585 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -2.532 -0.176 15.374 1.00 0.00 C ATOM 0 H VAL A 88 -2.144 -1.736 13.083 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.320 0.927 12.882 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.759 0.100 14.194 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.172 2.151 15.564 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.023 2.525 13.831 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.629 2.482 14.597 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.035 -0.001 16.328 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.549 0.214 15.417 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.562 -1.247 15.171 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.022 1.669 10.895 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.286 2.268 9.802 1.00 0.00 C ATOM 1363 C VAL A 89 -0.313 3.296 10.387 1.00 0.00 C ATOM 1364 O VAL A 89 -0.710 4.216 11.108 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.314 2.872 8.826 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.680 3.564 7.627 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.256 1.782 8.282 1.00 0.00 C ATOM 0 H VAL A 89 -2.991 1.982 10.952 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.687 1.548 9.244 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.857 3.615 9.410 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.462 3.965 6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.041 4.377 7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.082 2.846 7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.973 2.231 7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.673 1.027 7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.790 1.316 9.110 1.00 0.00 H new ATOM 1377 N VAL A 90 0.973 3.150 10.077 1.00 0.00 N ATOM 1378 CA VAL A 90 1.956 4.225 10.201 1.00 0.00 C ATOM 1379 C VAL A 90 2.179 4.804 8.805 1.00 0.00 C ATOM 1380 O VAL A 90 1.800 4.185 7.807 1.00 0.00 O ATOM 1381 CB VAL A 90 3.221 3.725 10.938 1.00 0.00 C ATOM 1382 CG1 VAL A 90 3.899 2.524 10.272 1.00 0.00 C ATOM 1383 CG2 VAL A 90 4.282 4.822 11.125 1.00 0.00 C ATOM 0 H VAL A 90 1.366 2.275 9.730 1.00 0.00 H new ATOM 0 HA VAL A 90 1.605 5.043 10.830 1.00 0.00 H new ATOM 0 HB VAL A 90 2.834 3.415 11.908 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.777 2.235 10.850 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.200 1.688 10.231 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.203 2.793 9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.144 4.409 11.648 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.594 5.196 10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.861 5.640 11.710 1.00 0.00 H new ATOM 1393 N THR A 91 2.769 5.991 8.744 1.00 0.00 N ATOM 1394 CA THR A 91 2.882 6.855 7.585 1.00 0.00 C ATOM 1395 C THR A 91 4.336 7.343 7.472 1.00 0.00 C ATOM 1396 O THR A 91 5.122 7.244 8.421 1.00 0.00 O ATOM 1397 CB THR A 91 1.895 8.028 7.779 1.00 0.00 C ATOM 1398 OG1 THR A 91 2.042 8.510 9.104 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.439 7.603 7.562 1.00 0.00 C ATOM 0 H THR A 91 3.212 6.401 9.566 1.00 0.00 H new ATOM 0 HA THR A 91 2.634 6.333 6.661 1.00 0.00 H new ATOM 0 HB THR A 91 2.125 8.797 7.042 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.350 9.179 9.288 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.216 8.461 7.709 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.318 7.224 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.178 6.821 8.275 1.00 0.00 H new ATOM 1407 N LYS A 92 4.690 7.853 6.295 1.00 0.00 N ATOM 1408 CA LYS A 92 5.956 8.432 5.865 1.00 0.00 C ATOM 1409 C LYS A 92 5.645 9.184 4.571 1.00 0.00 C ATOM 1410 O LYS A 92 4.691 8.826 3.880 1.00 0.00 O ATOM 1411 CB LYS A 92 6.958 7.314 5.518 1.00 0.00 C ATOM 1412 CG LYS A 92 7.957 6.983 6.627 1.00 0.00 C ATOM 1413 CD LYS A 92 8.911 5.904 6.109 1.00 0.00 C ATOM 1414 CE LYS A 92 9.995 5.605 7.142 1.00 0.00 C ATOM 1415 NZ LYS A 92 10.865 4.501 6.693 1.00 0.00 N ATOM 0 H LYS A 92 4.014 7.871 5.531 1.00 0.00 H new ATOM 0 HA LYS A 92 6.380 9.065 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.401 6.411 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.511 7.605 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.513 7.875 6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.434 6.632 7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.353 4.995 5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.370 6.234 5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.595 6.499 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.533 5.344 8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.593 4.318 7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.293 3.644 6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.323 4.762 5.796 1.00 0.00 H new ATOM 1429 N TYR A 93 6.483 10.142 4.187 1.00 0.00 N ATOM 1430 CA TYR A 93 6.565 10.565 2.793 1.00 0.00 C ATOM 1431 C TYR A 93 7.460 9.550 2.055 1.00 0.00 C ATOM 1432 O TYR A 93 8.400 9.034 2.669 1.00 0.00 O ATOM 1433 CB TYR A 93 7.143 11.989 2.736 1.00 0.00 C ATOM 1434 CG TYR A 93 6.228 13.092 3.253 1.00 0.00 C ATOM 1435 CD1 TYR A 93 4.982 13.343 2.643 1.00 0.00 C ATOM 1436 CD2 TYR A 93 6.622 13.874 4.359 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.127 14.342 3.139 1.00 0.00 C ATOM 1438 CE2 TYR A 93 5.769 14.870 4.870 1.00 0.00 C ATOM 1439 CZ TYR A 93 4.519 15.113 4.258 1.00 0.00 C ATOM 1440 OH TYR A 93 3.696 16.080 4.749 1.00 0.00 O ATOM 0 H TYR A 93 7.112 10.638 4.818 1.00 0.00 H new ATOM 0 HA TYR A 93 5.586 10.589 2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.068 12.010 3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.406 12.214 1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.681 12.761 1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.586 13.707 4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.172 14.521 2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.070 15.449 5.731 1.00 0.00 H new ATOM 0 HH TYR A 93 4.121 16.511 5.520 1.00 0.00 H new ATOM 1450 N CYS A 94 7.180 9.246 0.780 1.00 0.00 N ATOM 1451 CA CYS A 94 8.027 8.429 -0.096 1.00 0.00 C ATOM 1452 C CYS A 94 8.836 9.343 -1.034 1.00 0.00 C ATOM 1453 O CYS A 94 8.949 10.555 -0.808 1.00 0.00 O ATOM 1454 CB CYS A 94 7.170 7.415 -0.886 1.00 0.00 C ATOM 1455 SG CYS A 94 8.024 5.818 -0.981 1.00 0.00 S ATOM 0 H CYS A 94 6.332 9.572 0.317 1.00 0.00 H new ATOM 0 HA CYS A 94 8.729 7.857 0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.202 7.290 -0.402 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.978 7.794 -1.890 1.00 0.00 H new ATOM 0 HG CYS A 94 7.156 4.855 -0.883 1.00 0.00 H new ATOM 1461 N ASP A 95 9.404 8.772 -2.096 1.00 0.00 N ATOM 1462 CA ASP A 95 9.791 9.502 -3.302 1.00 0.00 C ATOM 1463 C ASP A 95 8.839 9.078 -4.426 1.00 0.00 C ATOM 1464 O ASP A 95 8.461 7.907 -4.463 1.00 0.00 O ATOM 1465 CB ASP A 95 11.232 9.172 -3.705 1.00 0.00 C ATOM 1466 CG ASP A 95 12.261 9.721 -2.723 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.246 10.940 -2.419 1.00 0.00 O ATOM 1468 OD2 ASP A 95 13.129 8.939 -2.266 1.00 0.00 O ATOM 0 H ASP A 95 9.611 7.774 -2.143 1.00 0.00 H new ATOM 0 HA ASP A 95 9.732 10.574 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.346 8.090 -3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.429 9.579 -4.697 1.00 0.00 H new ATOM 1473 N PRO A 96 8.459 9.977 -5.352 1.00 0.00 N ATOM 1474 CA PRO A 96 7.583 9.665 -6.474 1.00 0.00 C ATOM 1475 C PRO A 96 8.340 8.966 -7.606 1.00 0.00 C ATOM 1476 O PRO A 96 7.720 8.331 -8.452 1.00 0.00 O ATOM 1477 CB PRO A 96 7.032 11.010 -6.952 1.00 0.00 C ATOM 1478 CG PRO A 96 8.189 11.948 -6.650 1.00 0.00 C ATOM 1479 CD PRO A 96 8.779 11.386 -5.362 1.00 0.00 C ATOM 0 HA PRO A 96 6.791 8.980 -6.171 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.784 10.996 -8.013 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.126 11.294 -6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.921 11.954 -7.457 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.849 12.975 -6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.858 11.540 -5.328 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.358 11.887 -4.490 1.00 0.00 H new ATOM 1487 N ASP A 97 9.669 9.068 -7.661 1.00 0.00 N ATOM 1488 CA ASP A 97 10.461 8.392 -8.692 1.00 0.00 C ATOM 1489 C ASP A 97 10.169 6.894 -8.627 1.00 0.00 C ATOM 1490 O ASP A 97 9.613 6.291 -9.550 1.00 0.00 O ATOM 1491 CB ASP A 97 11.963 8.659 -8.484 1.00 0.00 C ATOM 1492 CG ASP A 97 12.711 8.902 -9.792 1.00 0.00 C ATOM 1493 OD1 ASP A 97 12.324 8.327 -10.837 1.00 0.00 O ATOM 1494 OD2 ASP A 97 13.711 9.658 -9.784 1.00 0.00 O ATOM 0 H ASP A 97 10.222 9.615 -7.001 1.00 0.00 H new ATOM 0 HA ASP A 97 10.189 8.778 -9.675 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.086 9.526 -7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.410 7.809 -7.969 1.00 0.00 H new ATOM 1499 N SER A 98 10.456 6.342 -7.449 1.00 0.00 N ATOM 1500 CA SER A 98 10.290 4.959 -7.068 1.00 0.00 C ATOM 1501 C SER A 98 8.798 4.573 -6.932 1.00 0.00 C ATOM 1502 O SER A 98 8.501 3.441 -6.550 1.00 0.00 O ATOM 1503 CB SER A 98 11.011 4.778 -5.724 1.00 0.00 C ATOM 1504 OG SER A 98 12.303 5.373 -5.766 1.00 0.00 O ATOM 0 H SER A 98 10.839 6.900 -6.686 1.00 0.00 H new ATOM 0 HA SER A 98 10.708 4.310 -7.837 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.422 5.229 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.101 3.717 -5.493 1.00 0.00 H new ATOM 0 HG SER A 98 12.748 5.250 -4.902 1.00 0.00 H new ATOM 1510 N TYR A 99 7.870 5.517 -7.154 1.00 0.00 N ATOM 1511 CA TYR A 99 6.428 5.320 -7.071 1.00 0.00 C ATOM 1512 C TYR A 99 5.865 4.918 -8.428 1.00 0.00 C ATOM 1513 O TYR A 99 5.060 3.988 -8.529 1.00 0.00 O ATOM 1514 CB TYR A 99 5.729 6.605 -6.596 1.00 0.00 C ATOM 1515 CG TYR A 99 4.255 6.414 -6.333 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.302 6.507 -7.366 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.834 6.129 -5.031 1.00 0.00 C ATOM 1518 CE1 TYR A 99 1.976 6.101 -7.148 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.486 5.846 -4.793 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.562 5.731 -5.852 1.00 0.00 C ATOM 1521 OH TYR A 99 0.280 5.346 -5.596 1.00 0.00 O ATOM 0 H TYR A 99 8.121 6.473 -7.406 1.00 0.00 H new ATOM 0 HA TYR A 99 6.242 4.523 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.212 6.959 -5.685 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.860 7.382 -7.349 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.593 6.893 -8.332 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.543 6.127 -4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.276 6.072 -7.970 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.145 5.713 -3.777 1.00 0.00 H new ATOM 0 HH TYR A 99 0.236 4.920 -4.715 1.00 0.00 H new ATOM 1531 N HIS A 100 6.259 5.671 -9.457 1.00 0.00 N ATOM 1532 CA HIS A 100 5.905 5.409 -10.839 1.00 0.00 C ATOM 1533 C HIS A 100 6.609 4.140 -11.309 1.00 0.00 C ATOM 1534 O HIS A 100 6.018 3.310 -12.011 1.00 0.00 O ATOM 1535 CB HIS A 100 6.381 6.578 -11.703 1.00 0.00 C ATOM 1536 CG HIS A 100 5.774 7.909 -11.353 1.00 0.00 C ATOM 1537 ND1 HIS A 100 6.440 8.970 -10.785 1.00 0.00 N ATOM 1538 CD2 HIS A 100 4.473 8.278 -11.533 1.00 0.00 C ATOM 1539 CE1 HIS A 100 5.569 9.984 -10.672 1.00 0.00 C ATOM 1540 NE2 HIS A 100 4.378 9.626 -11.175 1.00 0.00 N ATOM 0 H HIS A 100 6.846 6.497 -9.342 1.00 0.00 H new ATOM 0 HA HIS A 100 4.825 5.289 -10.924 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.465 6.656 -11.619 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.157 6.355 -12.746 1.00 0.00 H new ATOM 0 HD1 HIS A 100 7.420 8.983 -10.501 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.669 7.648 -11.885 1.00 0.00 H new ATOM 0 HE1 HIS A 100 5.794 10.948 -10.239 1.00 0.00 H new ATOM 1548 N ARG A 101 7.904 4.029 -10.996 1.00 0.00 N ATOM 1549 CA ARG A 101 8.665 2.825 -11.274 1.00 0.00 C ATOM 1550 C ARG A 101 8.304 1.757 -10.252 1.00 0.00 C ATOM 1551 O ARG A 101 7.647 2.012 -9.247 1.00 0.00 O ATOM 1552 CB ARG A 101 10.169 3.131 -11.269 1.00 0.00 C ATOM 1553 CG ARG A 101 10.535 4.098 -12.405 1.00 0.00 C ATOM 1554 CD ARG A 101 12.003 3.918 -12.778 1.00 0.00 C ATOM 1555 NE ARG A 101 12.407 4.799 -13.879 1.00 0.00 N ATOM 1556 CZ ARG A 101 13.642 4.864 -14.383 1.00 0.00 C ATOM 1557 NH1 ARG A 101 14.606 4.063 -13.942 1.00 0.00 N ATOM 1558 NH2 ARG A 101 13.920 5.740 -15.333 1.00 0.00 N ATOM 0 H ARG A 101 8.443 4.769 -10.547 1.00 0.00 H new ATOM 0 HA ARG A 101 8.415 2.450 -12.267 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.453 3.566 -10.310 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.733 2.205 -11.378 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.903 3.911 -13.273 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.352 5.126 -12.094 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.625 4.120 -11.906 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.179 2.880 -13.062 1.00 0.00 H new ATOM 0 HE ARG A 101 11.695 5.404 -14.288 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.409 3.384 -13.207 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.543 4.127 -14.339 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.192 6.365 -15.680 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.863 5.791 -15.719 1.00 0.00 H new ATOM 1572 N ARG A 102 8.785 0.547 -10.501 1.00 0.00 N ATOM 1573 CA ARG A 102 8.613 -0.606 -9.649 1.00 0.00 C ATOM 1574 C ARG A 102 9.916 -0.756 -8.903 1.00 0.00 C ATOM 1575 O ARG A 102 10.688 -1.679 -9.165 1.00 0.00 O ATOM 1576 CB ARG A 102 8.218 -1.822 -10.490 1.00 0.00 C ATOM 1577 CG ARG A 102 8.034 -3.064 -9.605 1.00 0.00 C ATOM 1578 CD ARG A 102 6.897 -3.901 -10.164 1.00 0.00 C ATOM 1579 NE ARG A 102 6.569 -5.058 -9.316 1.00 0.00 N ATOM 1580 CZ ARG A 102 5.635 -5.947 -9.660 1.00 0.00 C ATOM 1581 NH1 ARG A 102 5.286 -6.096 -10.934 1.00 0.00 N ATOM 1582 NH2 ARG A 102 4.998 -6.649 -8.744 1.00 0.00 N ATOM 0 H ARG A 102 9.328 0.341 -11.340 1.00 0.00 H new ATOM 0 HA ARG A 102 7.803 -0.499 -8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.293 -1.613 -11.027 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.985 -2.015 -11.240 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.954 -3.648 -9.578 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.815 -2.767 -8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.012 -3.275 -10.275 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.166 -4.251 -11.160 1.00 0.00 H new ATOM 0 HE ARG A 102 7.071 -5.185 -8.437 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.733 -5.529 -11.655 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.571 -6.777 -11.191 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.216 -6.516 -7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.287 -7.325 -9.023 1.00 0.00 H new ATOM 1596 N ASP A 103 10.195 0.193 -8.022 1.00 0.00 N ATOM 1597 CA ASP A 103 11.289 0.052 -7.075 1.00 0.00 C ATOM 1598 C ASP A 103 10.720 0.035 -5.672 1.00 0.00 C ATOM 1599 O ASP A 103 10.758 1.013 -4.921 1.00 0.00 O ATOM 1600 CB ASP A 103 12.390 1.088 -7.259 1.00 0.00 C ATOM 1601 CG ASP A 103 13.612 0.642 -6.438 1.00 0.00 C ATOM 1602 OD1 ASP A 103 13.990 -0.554 -6.512 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.215 1.474 -5.716 1.00 0.00 O ATOM 0 H ASP A 103 9.678 1.069 -7.944 1.00 0.00 H new ATOM 0 HA ASP A 103 11.791 -0.896 -7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.653 1.180 -8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.048 2.069 -6.929 1.00 0.00 H new ATOM 1608 N PHE A 104 10.125 -1.103 -5.347 1.00 0.00 N ATOM 1609 CA PHE A 104 9.564 -1.374 -4.045 1.00 0.00 C ATOM 1610 C PHE A 104 10.639 -2.192 -3.335 1.00 0.00 C ATOM 1611 O PHE A 104 10.931 -3.314 -3.747 1.00 0.00 O ATOM 1612 CB PHE A 104 8.192 -2.064 -4.190 1.00 0.00 C ATOM 1613 CG PHE A 104 7.280 -1.482 -5.269 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.201 -0.091 -5.479 1.00 0.00 C ATOM 1615 CD2 PHE A 104 6.546 -2.339 -6.112 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.435 0.431 -6.537 1.00 0.00 C ATOM 1617 CE2 PHE A 104 5.760 -1.817 -7.155 1.00 0.00 C ATOM 1618 CZ PHE A 104 5.705 -0.429 -7.371 1.00 0.00 C ATOM 0 H PHE A 104 10.020 -1.878 -6.002 1.00 0.00 H new ATOM 0 HA PHE A 104 9.337 -0.487 -3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.356 -3.120 -4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.674 -2.011 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.733 0.581 -4.822 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.587 -3.407 -5.956 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.409 1.497 -6.708 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.197 -2.484 -7.791 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.105 -0.027 -8.174 1.00 0.00 H new