USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 749 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 83 ASN : amide:sc= -3.7! C(o=-2.8!,f=-14!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.857 USER MOD Set 2.1: A 73 SER OG : rot 81:sc= 0.13 USER MOD Set 2.2: A 82 HIS : no HD1:sc= -3.79! C(o=-3.7!,f=-5.2!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.131 F(o=-0.93,f=-0.13) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 57:sc= 0.928 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 33 TYR OH : rot -17:sc= -4.24! USER MOD Single : A 34 SER OG : rot -34:sc= 1.28 USER MOD Single : A 36 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.085) USER MOD Single : A 37 SER OG : rot 40:sc= 0.642 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -8.37! C(o=-8.4!,f=-8.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -38:sc= -4.51! USER MOD Single : A 48 TYR OH : rot 99:sc= 0.396 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.98 X(o=-2,f=-2.1!) USER MOD Single : A 68 SER OG : rot -19:sc= 0.324! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.14) USER MOD Single : A 76 SER OG : rot -51:sc= 0.851 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= -1.74! C(o=-2.8!,f=-1.7!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 66:sc= 0.0785 USER MOD Single : A 97 TYR OH : rot 15:sc= -3.07 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN :FLIP amide:sc= -2.67! F(o=-3.5,f=-2.7!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -73:sc= 0.652 USER MOD Single : A 108 ASN :FLIP amide:sc= 0.599! F(o=-2.4,f=0.6!) USER MOD Single : A 109 SER OG : rot 180:sc= 0.133 USER MOD Single : A 114 SER OG : rot 50:sc= 0.00125 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.831 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 -30.667 1.087 2.970 1.00 0.00 N ATOM 26 CA ARG A 8 -29.218 1.065 2.823 1.00 0.00 C ATOM 27 C ARG A 8 -28.720 -0.336 2.492 1.00 0.00 C ATOM 28 O ARG A 8 -29.476 -1.306 2.534 1.00 0.00 O ATOM 29 CB ARG A 8 -28.553 1.557 4.108 1.00 0.00 C ATOM 30 CG ARG A 8 -28.741 0.616 5.288 1.00 0.00 C ATOM 31 CD ARG A 8 -27.439 0.393 6.040 1.00 0.00 C ATOM 32 NE ARG A 8 -27.390 -0.924 6.669 1.00 0.00 N ATOM 33 CZ ARG A 8 -28.058 -1.238 7.774 1.00 0.00 C ATOM 34 NH1 ARG A 8 -27.963 -2.458 8.286 1.00 0.00 N ATOM 35 NH2 ARG A 8 -28.820 -0.331 8.371 1.00 0.00 N ATOM 0 HA ARG A 8 -28.953 1.728 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -27.487 1.691 3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -28.958 2.535 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -29.488 1.028 5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -29.125 -0.340 4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.600 0.498 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -27.324 1.164 6.802 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.811 -1.643 6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.376 -3.158 7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -28.477 -2.697 9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.894 0.609 7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.332 -0.574 9.219 1.00 0.00 H new ATOM 49 N CYS A 9 -27.438 -0.426 2.166 1.00 0.00 N ATOM 50 CA CYS A 9 -26.809 -1.698 1.845 1.00 0.00 C ATOM 51 C CYS A 9 -26.449 -2.438 3.136 1.00 0.00 C ATOM 52 O CYS A 9 -26.684 -1.923 4.229 1.00 0.00 O ATOM 53 CB CYS A 9 -25.570 -1.433 0.987 1.00 0.00 C ATOM 54 SG CYS A 9 -25.946 -0.731 -0.652 1.00 0.00 S ATOM 0 H CYS A 9 -26.809 0.375 2.117 1.00 0.00 H new ATOM 0 HA CYS A 9 -27.495 -2.330 1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -24.909 -0.750 1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.024 -2.367 0.855 1.00 0.00 H new ATOM 59 N PRO A 10 -25.932 -3.677 3.045 1.00 0.00 N ATOM 60 CA PRO A 10 -25.559 -4.459 4.209 1.00 0.00 C ATOM 61 C PRO A 10 -24.116 -4.212 4.623 1.00 0.00 C ATOM 62 O PRO A 10 -23.401 -3.448 3.977 1.00 0.00 O ATOM 63 CB PRO A 10 -25.740 -5.898 3.727 1.00 0.00 C ATOM 64 CG PRO A 10 -25.663 -5.846 2.231 1.00 0.00 C ATOM 65 CD PRO A 10 -25.594 -4.398 1.819 1.00 0.00 C ATOM 0 HA PRO A 10 -26.154 -4.209 5.087 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -24.965 -6.546 4.135 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -26.698 -6.301 4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -24.785 -6.386 1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.535 -6.327 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -24.601 -4.131 1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -26.297 -4.175 1.016 1.00 0.00 H new ATOM 73 N SER A 11 -23.684 -4.877 5.689 1.00 0.00 N ATOM 74 CA SER A 11 -22.316 -4.731 6.174 1.00 0.00 C ATOM 75 C SER A 11 -21.317 -4.874 5.026 1.00 0.00 C ATOM 76 O SER A 11 -21.078 -5.979 4.539 1.00 0.00 O ATOM 77 CB SER A 11 -22.022 -5.777 7.252 1.00 0.00 C ATOM 78 OG SER A 11 -20.646 -5.789 7.590 1.00 0.00 O ATOM 0 H SER A 11 -24.259 -5.521 6.232 1.00 0.00 H new ATOM 0 HA SER A 11 -22.211 -3.735 6.605 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.616 -5.564 8.141 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.321 -6.763 6.897 1.00 0.00 H new ATOM 0 HG SER A 11 -20.485 -6.464 8.282 1.00 0.00 H new ATOM 84 N PRO A 12 -20.740 -3.753 4.555 1.00 0.00 N ATOM 85 CA PRO A 12 -19.793 -3.774 3.447 1.00 0.00 C ATOM 86 C PRO A 12 -18.790 -4.914 3.558 1.00 0.00 C ATOM 87 O PRO A 12 -18.664 -5.545 4.608 1.00 0.00 O ATOM 88 CB PRO A 12 -19.067 -2.437 3.554 1.00 0.00 C ATOM 89 CG PRO A 12 -19.946 -1.536 4.360 1.00 0.00 C ATOM 90 CD PRO A 12 -20.971 -2.390 5.065 1.00 0.00 C ATOM 0 HA PRO A 12 -20.304 -3.924 2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.096 -2.561 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.883 -2.016 2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.355 -0.975 5.084 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.437 -0.806 3.716 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.846 -2.346 6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -21.984 -2.053 4.847 1.00 0.00 H new ATOM 98 N ARG A 13 -18.067 -5.161 2.472 1.00 0.00 N ATOM 99 CA ARG A 13 -17.033 -6.186 2.461 1.00 0.00 C ATOM 100 C ARG A 13 -15.848 -5.727 3.288 1.00 0.00 C ATOM 101 O ARG A 13 -15.895 -4.673 3.920 1.00 0.00 O ATOM 102 CB ARG A 13 -16.591 -6.484 1.026 1.00 0.00 C ATOM 103 CG ARG A 13 -16.254 -7.947 0.784 1.00 0.00 C ATOM 104 CD ARG A 13 -17.151 -8.557 -0.280 1.00 0.00 C ATOM 105 NE ARG A 13 -18.119 -9.490 0.288 1.00 0.00 N ATOM 106 CZ ARG A 13 -17.783 -10.638 0.866 1.00 0.00 C ATOM 107 NH1 ARG A 13 -16.508 -10.991 0.952 1.00 0.00 N ATOM 108 NH2 ARG A 13 -18.723 -11.434 1.360 1.00 0.00 N ATOM 0 H ARG A 13 -18.179 -4.665 1.588 1.00 0.00 H new ATOM 0 HA ARG A 13 -17.439 -7.100 2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -17.384 -6.184 0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -15.719 -5.875 0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.212 -8.035 0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -16.361 -8.505 1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -17.680 -7.763 -0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.538 -9.075 -1.017 1.00 0.00 H new ATOM 0 HE ARG A 13 -19.108 -9.247 0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.783 -10.381 0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.252 -11.873 1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -19.705 -11.165 1.296 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.464 -12.315 1.804 1.00 0.00 H new ATOM 122 N ASP A 14 -14.795 -6.523 3.293 1.00 0.00 N ATOM 123 CA ASP A 14 -13.603 -6.188 4.058 1.00 0.00 C ATOM 124 C ASP A 14 -12.333 -6.508 3.288 1.00 0.00 C ATOM 125 O ASP A 14 -12.375 -6.961 2.143 1.00 0.00 O ATOM 126 CB ASP A 14 -13.600 -6.927 5.390 1.00 0.00 C ATOM 127 CG ASP A 14 -13.011 -6.096 6.513 1.00 0.00 C ATOM 128 OD1 ASP A 14 -11.833 -5.696 6.401 1.00 0.00 O ATOM 129 OD2 ASP A 14 -13.729 -5.841 7.503 1.00 0.00 O ATOM 0 H ASP A 14 -14.738 -7.402 2.779 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.625 -5.114 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.621 -7.209 5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.030 -7.851 5.288 1.00 0.00 H new ATOM 134 N ILE A 15 -11.204 -6.260 3.934 1.00 0.00 N ATOM 135 CA ILE A 15 -9.899 -6.507 3.338 1.00 0.00 C ATOM 136 C ILE A 15 -8.894 -6.925 4.407 1.00 0.00 C ATOM 137 O ILE A 15 -8.951 -6.454 5.543 1.00 0.00 O ATOM 138 CB ILE A 15 -9.378 -5.261 2.600 1.00 0.00 C ATOM 139 CG1 ILE A 15 -8.064 -5.572 1.883 1.00 0.00 C ATOM 140 CG2 ILE A 15 -9.196 -4.108 3.573 1.00 0.00 C ATOM 141 CD1 ILE A 15 -7.760 -4.621 0.747 1.00 0.00 C ATOM 0 H ILE A 15 -11.166 -5.884 4.881 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.015 -7.315 2.616 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.115 -4.969 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.248 -5.537 2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.103 -6.590 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.827 -3.234 3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.152 -3.871 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.478 -4.391 4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.814 -4.899 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.557 -4.673 0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.689 -3.604 1.133 1.00 0.00 H new ATOM 153 N ASP A 16 -7.991 -7.829 4.046 1.00 0.00 N ATOM 154 CA ASP A 16 -7.001 -8.340 4.989 1.00 0.00 C ATOM 155 C ASP A 16 -5.884 -7.334 5.234 1.00 0.00 C ATOM 156 O ASP A 16 -5.705 -6.853 6.353 1.00 0.00 O ATOM 157 CB ASP A 16 -6.411 -9.654 4.474 1.00 0.00 C ATOM 158 CG ASP A 16 -5.632 -10.397 5.541 1.00 0.00 C ATOM 159 OD1 ASP A 16 -5.656 -9.955 6.709 1.00 0.00 O ATOM 160 OD2 ASP A 16 -4.997 -11.420 5.209 1.00 0.00 O ATOM 0 H ASP A 16 -7.923 -8.224 3.108 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.510 -8.515 5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.216 -10.291 4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.756 -9.448 3.628 1.00 0.00 H new ATOM 165 N ASN A 17 -5.124 -7.031 4.189 1.00 0.00 N ATOM 166 CA ASN A 17 -4.009 -6.097 4.302 1.00 0.00 C ATOM 167 C ASN A 17 -4.458 -4.674 4.012 1.00 0.00 C ATOM 168 O ASN A 17 -3.793 -3.936 3.285 1.00 0.00 O ATOM 169 CB ASN A 17 -2.883 -6.501 3.350 1.00 0.00 C ATOM 170 CG ASN A 17 -2.700 -8.005 3.288 1.00 0.00 C ATOM 171 OD1 ASN A 17 -2.919 -8.673 4.416 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 -2.382 -8.562 2.237 1.00 0.00 N flip ATOM 0 H ASN A 17 -5.258 -7.417 3.255 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.638 -6.133 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.099 -6.121 2.351 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.952 -6.036 3.673 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.224 -8.009 1.395 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.277 -9.576 2.209 1.00 0.00 H new ATOM 179 N GLY A 18 -5.587 -4.292 4.595 1.00 0.00 N ATOM 180 CA GLY A 18 -6.105 -2.953 4.388 1.00 0.00 C ATOM 181 C GLY A 18 -7.171 -2.567 5.395 1.00 0.00 C ATOM 182 O GLY A 18 -7.646 -3.404 6.162 1.00 0.00 O ATOM 0 H GLY A 18 -6.152 -4.883 5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.284 -2.239 4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.520 -2.881 3.383 1.00 0.00 H new ATOM 186 N GLN A 19 -7.548 -1.293 5.384 1.00 0.00 N ATOM 187 CA GLN A 19 -8.580 -0.785 6.279 1.00 0.00 C ATOM 188 C GLN A 19 -9.601 0.031 5.493 1.00 0.00 C ATOM 189 O GLN A 19 -9.235 0.891 4.693 1.00 0.00 O ATOM 190 CB GLN A 19 -7.960 0.075 7.384 1.00 0.00 C ATOM 191 CG GLN A 19 -6.580 -0.390 7.821 1.00 0.00 C ATOM 192 CD GLN A 19 -6.454 -0.509 9.327 1.00 0.00 C ATOM 193 OE1 GLN A 19 -6.988 -1.436 9.936 1.00 0.00 O ATOM 194 NE2 GLN A 19 -5.745 0.434 9.938 1.00 0.00 N ATOM 0 H GLN A 19 -7.151 -0.590 4.761 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.083 -1.634 6.742 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.892 1.105 7.035 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.624 0.074 8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.365 -1.356 7.365 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.831 0.310 7.452 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.319 1.185 9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.626 0.407 10.951 1.00 0.00 H new ATOM 203 N LEU A 20 -10.879 -0.256 5.709 1.00 0.00 N ATOM 204 CA LEU A 20 -11.941 0.428 4.990 1.00 0.00 C ATOM 205 C LEU A 20 -12.268 1.776 5.618 1.00 0.00 C ATOM 206 O LEU A 20 -11.956 2.029 6.781 1.00 0.00 O ATOM 207 CB LEU A 20 -13.190 -0.443 4.954 1.00 0.00 C ATOM 208 CG LEU A 20 -13.167 -1.533 3.888 1.00 0.00 C ATOM 209 CD1 LEU A 20 -14.413 -2.384 3.982 1.00 0.00 C ATOM 210 CD2 LEU A 20 -11.925 -2.397 4.027 1.00 0.00 C ATOM 0 H LEU A 20 -11.202 -0.957 6.376 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.591 0.609 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.321 -0.909 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.058 0.194 4.786 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.142 -1.055 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.384 -3.158 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.462 -2.850 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.293 -1.758 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.930 -3.168 3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.036 -1.777 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.917 -2.867 5.010 1.00 0.00 H new ATOM 222 N ASP A 21 -12.907 2.632 4.831 1.00 0.00 N ATOM 223 CA ASP A 21 -13.310 3.952 5.293 1.00 0.00 C ATOM 224 C ASP A 21 -14.775 4.200 4.956 1.00 0.00 C ATOM 225 O ASP A 21 -15.093 4.855 3.963 1.00 0.00 O ATOM 226 CB ASP A 21 -12.433 5.031 4.655 1.00 0.00 C ATOM 227 CG ASP A 21 -12.348 6.285 5.502 1.00 0.00 C ATOM 228 OD1 ASP A 21 -11.826 7.305 5.004 1.00 0.00 O ATOM 229 OD2 ASP A 21 -12.803 6.248 6.664 1.00 0.00 O ATOM 0 H ASP A 21 -13.158 2.433 3.863 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.184 3.996 6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.430 4.634 4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.832 5.286 3.673 1.00 0.00 H new ATOM 234 N ILE A 22 -15.663 3.643 5.773 1.00 0.00 N ATOM 235 CA ILE A 22 -17.096 3.770 5.546 1.00 0.00 C ATOM 236 C ILE A 22 -17.580 5.193 5.791 1.00 0.00 C ATOM 237 O ILE A 22 -17.494 5.714 6.904 1.00 0.00 O ATOM 238 CB ILE A 22 -17.900 2.800 6.435 1.00 0.00 C ATOM 239 CG1 ILE A 22 -17.462 1.356 6.176 1.00 0.00 C ATOM 240 CG2 ILE A 22 -19.396 2.954 6.180 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.243 0.339 6.977 1.00 0.00 C ATOM 0 H ILE A 22 -15.414 3.099 6.599 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.265 3.515 4.500 1.00 0.00 H new ATOM 0 HB ILE A 22 -17.702 3.044 7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.574 1.135 5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.402 1.258 6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -19.947 2.261 6.816 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -19.700 3.976 6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -19.611 2.735 5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -17.881 -0.663 6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -18.111 0.535 8.041 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.301 0.410 6.723 1.00 0.00 H new ATOM 253 N GLY A 23 -18.104 5.806 4.738 1.00 0.00 N ATOM 254 CA GLY A 23 -18.644 7.147 4.841 1.00 0.00 C ATOM 255 C GLY A 23 -20.075 7.219 4.341 1.00 0.00 C ATOM 256 O GLY A 23 -20.588 8.301 4.056 1.00 0.00 O ATOM 0 H GLY A 23 -18.165 5.394 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.605 7.476 5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.023 7.834 4.266 1.00 0.00 H new ATOM 260 N GLY A 24 -20.717 6.058 4.231 1.00 0.00 N ATOM 261 CA GLY A 24 -22.084 6.000 3.757 1.00 0.00 C ATOM 262 C GLY A 24 -22.463 4.610 3.287 1.00 0.00 C ATOM 263 O GLY A 24 -21.830 4.057 2.387 1.00 0.00 O ATOM 0 H GLY A 24 -20.309 5.153 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -22.758 6.309 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -22.214 6.708 2.938 1.00 0.00 H new ATOM 267 N VAL A 25 -23.487 4.036 3.907 1.00 0.00 N ATOM 268 CA VAL A 25 -23.946 2.698 3.552 1.00 0.00 C ATOM 269 C VAL A 25 -25.306 2.729 2.853 1.00 0.00 C ATOM 270 O VAL A 25 -25.785 1.701 2.374 1.00 0.00 O ATOM 271 CB VAL A 25 -24.044 1.791 4.793 1.00 0.00 C ATOM 272 CG1 VAL A 25 -22.664 1.539 5.380 1.00 0.00 C ATOM 273 CG2 VAL A 25 -24.968 2.405 5.833 1.00 0.00 C ATOM 0 H VAL A 25 -24.016 4.477 4.659 1.00 0.00 H new ATOM 0 HA VAL A 25 -23.204 2.293 2.864 1.00 0.00 H new ATOM 0 HB VAL A 25 -24.465 0.833 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -22.753 0.896 6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -22.035 1.052 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -22.213 2.488 5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -25.024 1.750 6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -24.579 3.377 6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -25.964 2.529 5.407 1.00 0.00 H new ATOM 283 N ASP A 26 -25.931 3.904 2.797 1.00 0.00 N ATOM 284 CA ASP A 26 -27.231 4.042 2.154 1.00 0.00 C ATOM 285 C ASP A 26 -27.109 3.889 0.643 1.00 0.00 C ATOM 286 O ASP A 26 -26.034 4.085 0.075 1.00 0.00 O ATOM 287 CB ASP A 26 -27.851 5.399 2.490 1.00 0.00 C ATOM 288 CG ASP A 26 -27.766 5.724 3.969 1.00 0.00 C ATOM 289 OD1 ASP A 26 -26.642 5.951 4.462 1.00 0.00 O ATOM 290 OD2 ASP A 26 -28.823 5.751 4.633 1.00 0.00 O ATOM 0 H ASP A 26 -25.558 4.769 3.188 1.00 0.00 H new ATOM 0 HA ASP A 26 -27.879 3.251 2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -27.344 6.178 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -28.896 5.405 2.179 1.00 0.00 H new ATOM 295 N PHE A 27 -28.216 3.540 -0.004 1.00 0.00 N ATOM 296 CA PHE A 27 -28.228 3.362 -1.450 1.00 0.00 C ATOM 297 C PHE A 27 -27.611 4.566 -2.150 1.00 0.00 C ATOM 298 O PHE A 27 -28.133 5.678 -2.076 1.00 0.00 O ATOM 299 CB PHE A 27 -29.656 3.141 -1.953 1.00 0.00 C ATOM 300 CG PHE A 27 -29.760 3.089 -3.450 1.00 0.00 C ATOM 301 CD1 PHE A 27 -28.748 2.519 -4.206 1.00 0.00 C ATOM 302 CD2 PHE A 27 -30.859 3.624 -4.101 1.00 0.00 C ATOM 303 CE1 PHE A 27 -28.834 2.478 -5.584 1.00 0.00 C ATOM 304 CE2 PHE A 27 -30.952 3.583 -5.479 1.00 0.00 C ATOM 305 CZ PHE A 27 -29.939 3.009 -6.222 1.00 0.00 C ATOM 0 H PHE A 27 -29.115 3.375 0.450 1.00 0.00 H new ATOM 0 HA PHE A 27 -27.631 2.480 -1.684 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -30.040 2.209 -1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -30.293 3.943 -1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -27.883 2.102 -3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -31.652 4.078 -3.525 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -28.039 2.031 -6.162 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -31.816 4.000 -5.975 1.00 0.00 H new ATOM 0 HZ PHE A 27 -30.010 2.975 -7.299 1.00 0.00 H new ATOM 315 N GLY A 28 -26.498 4.332 -2.831 1.00 0.00 N ATOM 316 CA GLY A 28 -25.821 5.403 -3.532 1.00 0.00 C ATOM 317 C GLY A 28 -24.586 5.897 -2.801 1.00 0.00 C ATOM 318 O GLY A 28 -23.916 6.819 -3.266 1.00 0.00 O ATOM 0 H GLY A 28 -26.052 3.418 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -25.535 5.057 -4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -26.512 6.234 -3.670 1.00 0.00 H new ATOM 322 N SER A 29 -24.279 5.291 -1.653 1.00 0.00 N ATOM 323 CA SER A 29 -23.108 5.688 -0.882 1.00 0.00 C ATOM 324 C SER A 29 -21.861 4.983 -1.404 1.00 0.00 C ATOM 325 O SER A 29 -21.956 4.036 -2.184 1.00 0.00 O ATOM 326 CB SER A 29 -23.315 5.364 0.597 1.00 0.00 C ATOM 327 OG SER A 29 -24.563 5.850 1.056 1.00 0.00 O ATOM 0 H SER A 29 -24.821 4.531 -1.243 1.00 0.00 H new ATOM 0 HA SER A 29 -22.970 6.764 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 29 -23.264 4.286 0.747 1.00 0.00 H new ATOM 0 HB3 SER A 29 -22.511 5.806 1.185 1.00 0.00 H new ATOM 0 HG SER A 29 -25.283 5.470 0.510 1.00 0.00 H new ATOM 333 N SER A 30 -20.694 5.456 -0.981 1.00 0.00 N ATOM 334 CA SER A 30 -19.437 4.859 -1.413 1.00 0.00 C ATOM 335 C SER A 30 -18.449 4.768 -0.258 1.00 0.00 C ATOM 336 O SER A 30 -18.435 5.618 0.631 1.00 0.00 O ATOM 337 CB SER A 30 -18.825 5.663 -2.564 1.00 0.00 C ATOM 338 OG SER A 30 -19.139 7.040 -2.450 1.00 0.00 O ATOM 0 H SER A 30 -20.593 6.246 -0.344 1.00 0.00 H new ATOM 0 HA SER A 30 -19.651 3.849 -1.763 1.00 0.00 H new ATOM 0 HB2 SER A 30 -17.743 5.533 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.195 5.280 -3.515 1.00 0.00 H new ATOM 0 HG SER A 30 -18.735 7.531 -3.196 1.00 0.00 H new ATOM 344 N ILE A 31 -17.627 3.726 -0.279 1.00 0.00 N ATOM 345 CA ILE A 31 -16.634 3.512 0.767 1.00 0.00 C ATOM 346 C ILE A 31 -15.232 3.790 0.240 1.00 0.00 C ATOM 347 O ILE A 31 -15.039 3.977 -0.960 1.00 0.00 O ATOM 348 CB ILE A 31 -16.676 2.072 1.327 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.037 1.414 1.091 1.00 0.00 C ATOM 350 CG2 ILE A 31 -16.364 2.074 2.810 1.00 0.00 C ATOM 351 CD1 ILE A 31 -18.077 -0.032 1.529 1.00 0.00 C ATOM 0 H ILE A 31 -17.628 3.015 -1.010 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.878 4.204 1.573 1.00 0.00 H new ATOM 0 HB ILE A 31 -15.921 1.493 0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.803 1.972 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -18.285 1.474 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -16.397 1.053 3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.369 2.489 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.101 2.681 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.068 -0.443 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.333 -0.602 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.859 -0.095 2.595 1.00 0.00 H new ATOM 363 N THR A 32 -14.254 3.807 1.141 1.00 0.00 N ATOM 364 CA THR A 32 -12.869 4.050 0.752 1.00 0.00 C ATOM 365 C THR A 32 -11.944 2.991 1.334 1.00 0.00 C ATOM 366 O THR A 32 -11.800 2.879 2.552 1.00 0.00 O ATOM 367 CB THR A 32 -12.423 5.442 1.200 1.00 0.00 C ATOM 368 OG1 THR A 32 -13.540 6.234 1.565 1.00 0.00 O ATOM 369 CG2 THR A 32 -11.655 6.191 0.133 1.00 0.00 C ATOM 0 H THR A 32 -14.394 3.656 2.140 1.00 0.00 H new ATOM 0 HA THR A 32 -12.812 3.995 -0.335 1.00 0.00 H new ATOM 0 HB THR A 32 -11.764 5.277 2.053 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.234 7.120 1.850 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.367 7.171 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.761 5.628 -0.134 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.283 6.314 -0.749 1.00 0.00 H new ATOM 377 N TYR A 33 -11.314 2.218 0.455 1.00 0.00 N ATOM 378 CA TYR A 33 -10.413 1.158 0.887 1.00 0.00 C ATOM 379 C TYR A 33 -8.968 1.633 0.918 1.00 0.00 C ATOM 380 O TYR A 33 -8.549 2.451 0.098 1.00 0.00 O ATOM 381 CB TYR A 33 -10.550 -0.053 -0.029 1.00 0.00 C ATOM 382 CG TYR A 33 -11.680 -0.961 0.374 1.00 0.00 C ATOM 383 CD1 TYR A 33 -12.997 -0.532 0.299 1.00 0.00 C ATOM 384 CD2 TYR A 33 -11.428 -2.235 0.858 1.00 0.00 C ATOM 385 CE1 TYR A 33 -14.038 -1.362 0.670 1.00 0.00 C ATOM 386 CE2 TYR A 33 -12.460 -3.071 1.237 1.00 0.00 C ATOM 387 CZ TYR A 33 -13.764 -2.629 1.142 1.00 0.00 C ATOM 388 OH TYR A 33 -14.797 -3.457 1.521 1.00 0.00 O ATOM 0 H TYR A 33 -11.411 2.306 -0.557 1.00 0.00 H new ATOM 0 HA TYR A 33 -10.692 0.874 1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.710 0.287 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.617 -0.616 -0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.212 0.466 -0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.408 -2.580 0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -15.060 -1.021 0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.248 -4.064 1.605 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.610 -2.926 1.654 1.00 0.00 H new ATOM 398 N SER A 34 -8.215 1.116 1.880 1.00 0.00 N ATOM 399 CA SER A 34 -6.811 1.471 2.032 1.00 0.00 C ATOM 400 C SER A 34 -6.020 0.292 2.580 1.00 0.00 C ATOM 401 O SER A 34 -6.593 -0.645 3.135 1.00 0.00 O ATOM 402 CB SER A 34 -6.663 2.678 2.961 1.00 0.00 C ATOM 403 OG SER A 34 -7.038 2.352 4.288 1.00 0.00 O ATOM 0 H SER A 34 -8.556 0.446 2.570 1.00 0.00 H new ATOM 0 HA SER A 34 -6.415 1.732 1.051 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.630 3.026 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.281 3.499 2.597 1.00 0.00 H new ATOM 0 HG SER A 34 -7.771 1.702 4.270 1.00 0.00 H new ATOM 409 N CYS A 35 -4.705 0.338 2.415 1.00 0.00 N ATOM 410 CA CYS A 35 -3.841 -0.734 2.890 1.00 0.00 C ATOM 411 C CYS A 35 -3.538 -0.572 4.377 1.00 0.00 C ATOM 412 O CYS A 35 -3.883 0.442 4.983 1.00 0.00 O ATOM 413 CB CYS A 35 -2.546 -0.757 2.082 1.00 0.00 C ATOM 414 SG CYS A 35 -2.537 -1.986 0.736 1.00 0.00 S ATOM 0 H CYS A 35 -4.214 1.105 1.956 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.361 -1.682 2.754 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.376 0.233 1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.713 -0.963 2.754 1.00 0.00 H new ATOM 419 N ASN A 36 -2.914 -1.589 4.966 1.00 0.00 N ATOM 420 CA ASN A 36 -2.595 -1.564 6.391 1.00 0.00 C ATOM 421 C ASN A 36 -1.649 -0.414 6.727 1.00 0.00 C ATOM 422 O ASN A 36 -2.082 0.639 7.195 1.00 0.00 O ATOM 423 CB ASN A 36 -1.982 -2.898 6.826 1.00 0.00 C ATOM 424 CG ASN A 36 -2.838 -3.618 7.850 1.00 0.00 C ATOM 425 OD1 ASN A 36 -3.269 -3.028 8.840 1.00 0.00 O ATOM 426 ND2 ASN A 36 -3.089 -4.901 7.615 1.00 0.00 N ATOM 0 H ASN A 36 -2.620 -2.437 4.481 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.525 -1.407 6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.850 -3.537 5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.991 -2.721 7.244 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.660 -5.437 8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.711 -5.350 6.781 1.00 0.00 H new ATOM 433 N SER A 37 -0.358 -0.623 6.494 1.00 0.00 N ATOM 434 CA SER A 37 0.643 0.398 6.778 1.00 0.00 C ATOM 435 C SER A 37 1.950 0.082 6.067 1.00 0.00 C ATOM 436 O SER A 37 2.575 -0.948 6.321 1.00 0.00 O ATOM 437 CB SER A 37 0.877 0.502 8.285 1.00 0.00 C ATOM 438 OG SER A 37 0.055 1.502 8.863 1.00 0.00 O ATOM 0 H SER A 37 0.019 -1.489 6.110 1.00 0.00 H new ATOM 0 HA SER A 37 0.272 1.354 6.410 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.670 -0.459 8.755 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.925 0.732 8.478 1.00 0.00 H new ATOM 0 HG SER A 37 -0.833 1.475 8.449 1.00 0.00 H new ATOM 444 N GLY A 38 2.352 0.968 5.164 1.00 0.00 N ATOM 445 CA GLY A 38 3.560 0.745 4.396 1.00 0.00 C ATOM 446 C GLY A 38 3.304 -0.091 3.154 1.00 0.00 C ATOM 447 O GLY A 38 4.175 -0.219 2.294 1.00 0.00 O ATOM 0 H GLY A 38 1.862 1.837 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.985 1.705 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.300 0.246 5.022 1.00 0.00 H new ATOM 451 N TYR A 39 2.103 -0.662 3.061 1.00 0.00 N ATOM 452 CA TYR A 39 1.726 -1.482 1.920 1.00 0.00 C ATOM 453 C TYR A 39 1.354 -0.609 0.729 1.00 0.00 C ATOM 454 O TYR A 39 1.489 0.613 0.778 1.00 0.00 O ATOM 455 CB TYR A 39 0.534 -2.364 2.293 1.00 0.00 C ATOM 456 CG TYR A 39 0.918 -3.718 2.832 1.00 0.00 C ATOM 457 CD1 TYR A 39 1.990 -3.861 3.702 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.194 -4.851 2.485 1.00 0.00 C ATOM 459 CE1 TYR A 39 2.340 -5.100 4.202 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.539 -6.094 2.979 1.00 0.00 C ATOM 461 CZ TYR A 39 1.611 -6.214 3.839 1.00 0.00 C ATOM 462 OH TYR A 39 1.958 -7.450 4.334 1.00 0.00 O ATOM 0 H TYR A 39 1.374 -0.568 3.768 1.00 0.00 H new ATOM 0 HA TYR A 39 2.577 -2.105 1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.069 -1.846 3.038 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.094 -2.500 1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.559 -2.990 3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.651 -4.759 1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.180 -5.196 4.874 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.028 -6.968 2.693 1.00 0.00 H new ATOM 0 HH TYR A 39 1.344 -8.128 3.982 1.00 0.00 H new ATOM 472 N HIS A 40 0.866 -1.240 -0.333 1.00 0.00 N ATOM 473 CA HIS A 40 0.424 -0.508 -1.508 1.00 0.00 C ATOM 474 C HIS A 40 -0.806 -1.174 -2.106 1.00 0.00 C ATOM 475 O HIS A 40 -0.739 -2.295 -2.607 1.00 0.00 O ATOM 476 CB HIS A 40 1.544 -0.401 -2.548 1.00 0.00 C ATOM 477 CG HIS A 40 1.827 -1.675 -3.282 1.00 0.00 C ATOM 478 ND1 HIS A 40 2.138 -1.714 -4.625 1.00 0.00 N ATOM 479 CD2 HIS A 40 1.863 -2.958 -2.853 1.00 0.00 C ATOM 480 CE1 HIS A 40 2.343 -2.967 -4.992 1.00 0.00 C ATOM 481 NE2 HIS A 40 2.183 -3.740 -3.935 1.00 0.00 N ATOM 0 H HIS A 40 0.768 -2.253 -0.402 1.00 0.00 H new ATOM 0 HA HIS A 40 0.161 0.505 -1.202 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.280 0.370 -3.271 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.456 -0.072 -2.050 1.00 0.00 H new ATOM 0 HD1 HIS A 40 2.200 -0.902 -5.239 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.675 -3.303 -1.847 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.598 -3.301 -5.987 1.00 0.00 H new ATOM 490 N LEU A 41 -1.940 -0.499 -1.987 1.00 0.00 N ATOM 491 CA LEU A 41 -3.198 -1.022 -2.491 1.00 0.00 C ATOM 492 C LEU A 41 -3.254 -0.918 -4.006 1.00 0.00 C ATOM 493 O LEU A 41 -3.125 0.170 -4.567 1.00 0.00 O ATOM 494 CB LEU A 41 -4.371 -0.259 -1.874 1.00 0.00 C ATOM 495 CG LEU A 41 -5.733 -0.564 -2.496 1.00 0.00 C ATOM 496 CD1 LEU A 41 -6.790 -0.731 -1.416 1.00 0.00 C ATOM 497 CD2 LEU A 41 -6.130 0.537 -3.462 1.00 0.00 C ATOM 0 H LEU A 41 -2.013 0.417 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.268 -2.073 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.415 -0.487 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.178 0.810 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.658 -1.501 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.753 -0.948 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.511 -1.554 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.865 0.188 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.102 0.306 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.187 1.486 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.386 0.611 -4.255 1.00 0.00 H new ATOM 509 N ILE A 42 -3.435 -2.053 -4.667 1.00 0.00 N ATOM 510 CA ILE A 42 -3.512 -2.071 -6.120 1.00 0.00 C ATOM 511 C ILE A 42 -4.950 -2.249 -6.579 1.00 0.00 C ATOM 512 O ILE A 42 -5.754 -2.897 -5.909 1.00 0.00 O ATOM 513 CB ILE A 42 -2.641 -3.179 -6.750 1.00 0.00 C ATOM 514 CG1 ILE A 42 -1.421 -3.474 -5.875 1.00 0.00 C ATOM 515 CG2 ILE A 42 -2.199 -2.763 -8.143 1.00 0.00 C ATOM 516 CD1 ILE A 42 -0.587 -2.248 -5.587 1.00 0.00 C ATOM 0 H ILE A 42 -3.531 -2.967 -4.224 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.127 -1.109 -6.457 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.238 -4.088 -6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.754 -3.909 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.799 -4.221 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.585 -3.550 -8.580 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.076 -2.597 -8.769 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.618 -1.843 -8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.262 -2.524 -4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.226 -1.825 -6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.195 -1.508 -5.066 1.00 0.00 H new ATOM 528 N GLY A 43 -5.268 -1.651 -7.714 1.00 0.00 N ATOM 529 CA GLY A 43 -6.615 -1.740 -8.246 1.00 0.00 C ATOM 530 C GLY A 43 -7.522 -0.644 -7.718 1.00 0.00 C ATOM 531 O GLY A 43 -7.136 0.524 -7.676 1.00 0.00 O ATOM 0 H GLY A 43 -4.619 -1.104 -8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.577 -1.683 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.039 -2.712 -7.992 1.00 0.00 H new ATOM 535 N GLU A 44 -8.728 -1.024 -7.303 1.00 0.00 N ATOM 536 CA GLU A 44 -9.702 -0.065 -6.795 1.00 0.00 C ATOM 537 C GLU A 44 -9.357 0.412 -5.395 1.00 0.00 C ATOM 538 O GLU A 44 -8.365 -0.011 -4.805 1.00 0.00 O ATOM 539 CB GLU A 44 -11.094 -0.685 -6.777 1.00 0.00 C ATOM 540 CG GLU A 44 -11.851 -0.484 -8.068 1.00 0.00 C ATOM 541 CD GLU A 44 -13.252 0.052 -7.851 1.00 0.00 C ATOM 542 OE1 GLU A 44 -14.134 -0.237 -8.686 1.00 0.00 O ATOM 543 OE2 GLU A 44 -13.467 0.759 -6.844 1.00 0.00 O ATOM 0 H GLU A 44 -9.053 -1.991 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.681 0.794 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.007 -1.753 -6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.667 -0.253 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.298 0.206 -8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.909 -1.433 -8.601 1.00 0.00 H new ATOM 550 N SER A 45 -10.232 1.251 -4.854 1.00 0.00 N ATOM 551 CA SER A 45 -10.055 1.810 -3.529 1.00 0.00 C ATOM 552 C SER A 45 -11.357 2.389 -2.995 1.00 0.00 C ATOM 553 O SER A 45 -11.345 3.275 -2.140 1.00 0.00 O ATOM 554 CB SER A 45 -9.019 2.916 -3.592 1.00 0.00 C ATOM 555 OG SER A 45 -9.228 3.746 -4.721 1.00 0.00 O ATOM 0 H SER A 45 -11.082 1.560 -5.325 1.00 0.00 H new ATOM 0 HA SER A 45 -9.730 1.012 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.066 3.515 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.020 2.481 -3.636 1.00 0.00 H new ATOM 0 HG SER A 45 -8.549 4.452 -4.738 1.00 0.00 H new ATOM 561 N LYS A 46 -12.477 1.904 -3.508 1.00 0.00 N ATOM 562 CA LYS A 46 -13.773 2.424 -3.105 1.00 0.00 C ATOM 563 C LYS A 46 -14.908 1.461 -3.449 1.00 0.00 C ATOM 564 O LYS A 46 -15.030 1.011 -4.589 1.00 0.00 O ATOM 565 CB LYS A 46 -14.019 3.760 -3.803 1.00 0.00 C ATOM 566 CG LYS A 46 -13.562 4.974 -3.013 1.00 0.00 C ATOM 567 CD LYS A 46 -14.671 6.006 -2.883 1.00 0.00 C ATOM 568 CE LYS A 46 -14.654 6.989 -4.042 1.00 0.00 C ATOM 569 NZ LYS A 46 -15.567 8.142 -3.808 1.00 0.00 N ATOM 0 H LYS A 46 -12.515 1.156 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.759 2.552 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.506 3.753 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.085 3.857 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.236 4.662 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.700 5.425 -3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.637 5.502 -2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.558 6.547 -1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.638 7.355 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.946 6.475 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.526 8.788 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.541 7.796 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.273 8.648 -2.948 1.00 0.00 H new ATOM 583 N SER A 47 -15.758 1.186 -2.465 1.00 0.00 N ATOM 584 CA SER A 47 -16.931 0.338 -2.664 1.00 0.00 C ATOM 585 C SER A 47 -18.151 1.212 -2.883 1.00 0.00 C ATOM 586 O SER A 47 -18.318 2.215 -2.192 1.00 0.00 O ATOM 587 CB SER A 47 -17.148 -0.557 -1.443 1.00 0.00 C ATOM 588 OG SER A 47 -17.385 -1.901 -1.816 1.00 0.00 O ATOM 0 H SER A 47 -15.656 1.541 -1.514 1.00 0.00 H new ATOM 0 HA SER A 47 -16.772 -0.294 -3.538 1.00 0.00 H new ATOM 0 HB2 SER A 47 -16.273 -0.508 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 47 -17.994 -0.185 -0.865 1.00 0.00 H new ATOM 0 HG SER A 47 -17.935 -1.923 -2.627 1.00 0.00 H new ATOM 594 N TYR A 48 -18.993 0.873 -3.857 1.00 0.00 N ATOM 595 CA TYR A 48 -20.173 1.714 -4.110 1.00 0.00 C ATOM 596 C TYR A 48 -21.473 0.999 -3.777 1.00 0.00 C ATOM 597 O TYR A 48 -21.823 -0.010 -4.387 1.00 0.00 O ATOM 598 CB TYR A 48 -20.215 2.236 -5.551 1.00 0.00 C ATOM 599 CG TYR A 48 -18.851 2.471 -6.148 1.00 0.00 C ATOM 600 CD1 TYR A 48 -17.962 3.347 -5.546 1.00 0.00 C ATOM 601 CD2 TYR A 48 -18.456 1.826 -7.312 1.00 0.00 C ATOM 602 CE1 TYR A 48 -16.710 3.571 -6.083 1.00 0.00 C ATOM 603 CE2 TYR A 48 -17.208 2.043 -7.857 1.00 0.00 C ATOM 604 CZ TYR A 48 -16.337 2.917 -7.240 1.00 0.00 C ATOM 605 OH TYR A 48 -15.090 3.137 -7.779 1.00 0.00 O ATOM 0 H TYR A 48 -18.894 0.059 -4.464 1.00 0.00 H new ATOM 0 HA TYR A 48 -20.075 2.569 -3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -20.756 1.522 -6.172 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -20.778 3.169 -5.574 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -18.253 3.863 -4.643 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.137 1.143 -7.799 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.026 4.254 -5.601 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.914 1.532 -8.762 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.485 2.414 -7.510 1.00 0.00 H new ATOM 615 N CYS A 49 -22.199 1.564 -2.820 1.00 0.00 N ATOM 616 CA CYS A 49 -23.491 1.026 -2.415 1.00 0.00 C ATOM 617 C CYS A 49 -24.520 1.271 -3.501 1.00 0.00 C ATOM 618 O CYS A 49 -25.400 2.121 -3.369 1.00 0.00 O ATOM 619 CB CYS A 49 -23.949 1.667 -1.111 1.00 0.00 C ATOM 620 SG CYS A 49 -25.638 1.215 -0.607 1.00 0.00 S ATOM 0 H CYS A 49 -21.913 2.399 -2.308 1.00 0.00 H new ATOM 0 HA CYS A 49 -23.387 -0.048 -2.259 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -23.257 1.383 -0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -23.890 2.751 -1.212 1.00 0.00 H new ATOM 625 N GLU A 50 -24.372 0.543 -4.591 1.00 0.00 N ATOM 626 CA GLU A 50 -25.262 0.691 -5.737 1.00 0.00 C ATOM 627 C GLU A 50 -26.416 -0.301 -5.657 1.00 0.00 C ATOM 628 O GLU A 50 -26.458 -1.160 -4.779 1.00 0.00 O ATOM 629 CB GLU A 50 -24.457 0.544 -7.047 1.00 0.00 C ATOM 630 CG GLU A 50 -25.164 -0.152 -8.208 1.00 0.00 C ATOM 631 CD GLU A 50 -24.209 -0.557 -9.314 1.00 0.00 C ATOM 632 OE1 GLU A 50 -24.628 -1.317 -10.212 1.00 0.00 O ATOM 633 OE2 GLU A 50 -23.041 -0.115 -9.281 1.00 0.00 O ATOM 0 H GLU A 50 -23.643 -0.160 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 50 -25.702 1.688 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.158 1.539 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.543 -0.006 -6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.680 -1.037 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -25.925 0.513 -8.616 1.00 0.00 H new ATOM 640 N LEU A 51 -27.361 -0.144 -6.568 1.00 0.00 N ATOM 641 CA LEU A 51 -28.531 -1.011 -6.622 1.00 0.00 C ATOM 642 C LEU A 51 -28.221 -2.307 -7.363 1.00 0.00 C ATOM 643 O LEU A 51 -27.403 -2.328 -8.283 1.00 0.00 O ATOM 644 CB LEU A 51 -29.696 -0.293 -7.302 1.00 0.00 C ATOM 645 CG LEU A 51 -29.486 -0.009 -8.786 1.00 0.00 C ATOM 646 CD1 LEU A 51 -29.115 1.449 -9.005 1.00 0.00 C ATOM 647 CD2 LEU A 51 -30.730 -0.373 -9.582 1.00 0.00 C ATOM 0 H LEU A 51 -27.342 0.580 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 51 -28.810 -1.257 -5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -30.596 -0.896 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -29.875 0.651 -6.786 1.00 0.00 H new ATOM 0 HG LEU A 51 -28.661 -0.627 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -28.969 1.631 -10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -29.916 2.088 -8.634 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -28.193 1.674 -8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -30.560 -0.163 -10.638 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -30.947 -1.433 -9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -31.575 0.216 -9.226 1.00 0.00 H new ATOM 709 N MET A 57 -30.168 -3.404 -2.978 1.00 0.00 N ATOM 710 CA MET A 57 -28.953 -2.689 -2.601 1.00 0.00 C ATOM 711 C MET A 57 -27.752 -3.625 -2.660 1.00 0.00 C ATOM 712 O MET A 57 -27.810 -4.759 -2.184 1.00 0.00 O ATOM 713 CB MET A 57 -29.071 -2.084 -1.191 1.00 0.00 C ATOM 714 CG MET A 57 -30.433 -2.270 -0.534 1.00 0.00 C ATOM 715 SD MET A 57 -30.572 -3.836 0.350 1.00 0.00 S ATOM 716 CE MET A 57 -32.325 -4.162 0.189 1.00 0.00 C ATOM 0 HA MET A 57 -28.814 -1.874 -3.311 1.00 0.00 H new ATOM 0 HB2 MET A 57 -28.310 -2.532 -0.552 1.00 0.00 H new ATOM 0 HB3 MET A 57 -28.852 -1.018 -1.248 1.00 0.00 H new ATOM 0 HG2 MET A 57 -30.612 -1.449 0.160 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.210 -2.218 -1.297 1.00 0.00 H new ATOM 0 HE1 MET A 57 -32.568 -5.101 0.687 1.00 0.00 H new ATOM 0 HE2 MET A 57 -32.890 -3.351 0.649 1.00 0.00 H new ATOM 0 HE3 MET A 57 -32.586 -4.233 -0.867 1.00 0.00 H new ATOM 726 N VAL A 58 -26.669 -3.148 -3.258 1.00 0.00 N ATOM 727 CA VAL A 58 -25.455 -3.940 -3.392 1.00 0.00 C ATOM 728 C VAL A 58 -24.219 -3.067 -3.226 1.00 0.00 C ATOM 729 O VAL A 58 -24.310 -1.838 -3.211 1.00 0.00 O ATOM 730 CB VAL A 58 -25.390 -4.657 -4.753 1.00 0.00 C ATOM 731 CG1 VAL A 58 -26.134 -5.983 -4.695 1.00 0.00 C ATOM 732 CG2 VAL A 58 -25.952 -3.768 -5.849 1.00 0.00 C ATOM 0 H VAL A 58 -26.607 -2.212 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.478 -4.692 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.346 -4.865 -4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -26.077 -6.475 -5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -25.680 -6.622 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -27.178 -5.803 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -25.898 -4.290 -6.804 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -26.991 -3.527 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -25.370 -2.848 -5.905 1.00 0.00 H new ATOM 742 N TRP A 59 -23.064 -3.706 -3.105 1.00 0.00 N ATOM 743 CA TRP A 59 -21.817 -2.984 -2.907 1.00 0.00 C ATOM 744 C TRP A 59 -20.839 -3.214 -4.054 1.00 0.00 C ATOM 745 O TRP A 59 -20.355 -4.327 -4.261 1.00 0.00 O ATOM 746 CB TRP A 59 -21.169 -3.415 -1.593 1.00 0.00 C ATOM 747 CG TRP A 59 -21.763 -2.766 -0.380 1.00 0.00 C ATOM 748 CD1 TRP A 59 -22.586 -3.349 0.540 1.00 0.00 C ATOM 749 CD2 TRP A 59 -21.542 -1.424 0.075 1.00 0.00 C ATOM 750 NE1 TRP A 59 -22.901 -2.452 1.529 1.00 0.00 N ATOM 751 CE2 TRP A 59 -22.277 -1.261 1.264 1.00 0.00 C ATOM 752 CE3 TRP A 59 -20.801 -0.341 -0.411 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -22.292 -0.063 1.973 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -20.821 0.849 0.292 1.00 0.00 C ATOM 755 CH2 TRP A 59 -21.557 0.978 1.472 1.00 0.00 C ATOM 0 H TRP A 59 -22.965 -4.721 -3.140 1.00 0.00 H new ATOM 0 HA TRP A 59 -22.055 -1.921 -2.875 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.257 -4.497 -1.494 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.104 -3.184 -1.632 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -22.938 -4.369 0.496 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -23.502 -2.641 2.331 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -20.224 -0.433 -1.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -22.862 0.041 2.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.258 1.693 -0.077 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.546 1.920 2.001 1.00 0.00 H new ATOM 766 N ASN A 60 -20.522 -2.140 -4.766 1.00 0.00 N ATOM 767 CA ASN A 60 -19.557 -2.191 -5.858 1.00 0.00 C ATOM 768 C ASN A 60 -18.160 -2.410 -5.305 1.00 0.00 C ATOM 769 O ASN A 60 -17.961 -2.287 -4.102 1.00 0.00 O ATOM 770 CB ASN A 60 -19.608 -0.893 -6.639 1.00 0.00 C ATOM 771 CG ASN A 60 -20.578 -0.947 -7.804 1.00 0.00 C ATOM 772 OD1 ASN A 60 -20.349 -0.333 -8.846 1.00 0.00 O ATOM 773 ND2 ASN A 60 -21.668 -1.690 -7.638 1.00 0.00 N ATOM 0 H ASN A 60 -20.923 -1.216 -4.605 1.00 0.00 H new ATOM 0 HA ASN A 60 -19.806 -3.020 -6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.896 -0.082 -5.970 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.611 -0.659 -7.012 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.352 -1.767 -8.391 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.820 -2.183 -6.758 1.00 0.00 H new ATOM 780 N PRO A 61 -17.183 -2.731 -6.185 1.00 0.00 N ATOM 781 CA PRO A 61 -15.795 -3.010 -5.841 1.00 0.00 C ATOM 782 C PRO A 61 -15.376 -2.553 -4.449 1.00 0.00 C ATOM 783 O PRO A 61 -15.084 -1.382 -4.221 1.00 0.00 O ATOM 784 CB PRO A 61 -15.067 -2.255 -6.938 1.00 0.00 C ATOM 785 CG PRO A 61 -15.987 -2.327 -8.130 1.00 0.00 C ATOM 786 CD PRO A 61 -17.331 -2.829 -7.636 1.00 0.00 C ATOM 0 HA PRO A 61 -15.581 -4.078 -5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.876 -1.222 -6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.100 -2.709 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -16.091 -1.346 -8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -15.582 -2.998 -8.888 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.154 -2.217 -8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.527 -3.852 -7.957 1.00 0.00 H new ATOM 794 N GLU A 62 -15.318 -3.517 -3.534 1.00 0.00 N ATOM 795 CA GLU A 62 -15.018 -3.243 -2.132 1.00 0.00 C ATOM 796 C GLU A 62 -13.557 -3.481 -1.775 1.00 0.00 C ATOM 797 O GLU A 62 -12.855 -2.552 -1.404 1.00 0.00 O ATOM 798 CB GLU A 62 -15.890 -4.117 -1.224 1.00 0.00 C ATOM 799 CG GLU A 62 -17.203 -4.565 -1.852 1.00 0.00 C ATOM 800 CD GLU A 62 -17.148 -5.992 -2.363 1.00 0.00 C ATOM 801 OE1 GLU A 62 -16.144 -6.683 -2.089 1.00 0.00 O ATOM 802 OE2 GLU A 62 -18.110 -6.418 -3.036 1.00 0.00 O ATOM 0 H GLU A 62 -15.476 -4.503 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.232 -2.185 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.320 -5.000 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.109 -3.565 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.002 -4.477 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.454 -3.897 -2.676 1.00 0.00 H new ATOM 809 N ALA A 63 -13.145 -4.743 -1.774 1.00 0.00 N ATOM 810 CA ALA A 63 -11.805 -5.119 -1.343 1.00 0.00 C ATOM 811 C ALA A 63 -10.881 -5.422 -2.516 1.00 0.00 C ATOM 812 O ALA A 63 -10.562 -6.580 -2.786 1.00 0.00 O ATOM 813 CB ALA A 63 -11.872 -6.315 -0.410 1.00 0.00 C ATOM 0 H ALA A 63 -13.725 -5.528 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.385 -4.264 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.865 -6.587 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.470 -6.061 0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.329 -7.157 -0.930 1.00 0.00 H new ATOM 819 N PRO A 64 -10.405 -4.375 -3.200 1.00 0.00 N ATOM 820 CA PRO A 64 -9.433 -4.503 -4.295 1.00 0.00 C ATOM 821 C PRO A 64 -8.162 -5.222 -3.825 1.00 0.00 C ATOM 822 O PRO A 64 -8.210 -6.019 -2.888 1.00 0.00 O ATOM 823 CB PRO A 64 -9.150 -3.041 -4.669 1.00 0.00 C ATOM 824 CG PRO A 64 -9.509 -2.287 -3.445 1.00 0.00 C ATOM 825 CD PRO A 64 -10.705 -2.969 -2.905 1.00 0.00 C ATOM 0 HA PRO A 64 -9.798 -5.096 -5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.104 -2.892 -4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.747 -2.724 -5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.692 -2.295 -2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.721 -1.243 -3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.829 -2.793 -1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.621 -2.635 -3.392 1.00 0.00 H new ATOM 833 N ILE A 65 -7.027 -4.936 -4.458 1.00 0.00 N ATOM 834 CA ILE A 65 -5.771 -5.586 -4.094 1.00 0.00 C ATOM 835 C ILE A 65 -5.009 -4.799 -3.028 1.00 0.00 C ATOM 836 O ILE A 65 -5.277 -3.622 -2.791 1.00 0.00 O ATOM 837 CB ILE A 65 -4.855 -5.772 -5.313 1.00 0.00 C ATOM 838 CG1 ILE A 65 -5.672 -6.119 -6.559 1.00 0.00 C ATOM 839 CG2 ILE A 65 -3.823 -6.850 -5.038 1.00 0.00 C ATOM 840 CD1 ILE A 65 -6.345 -7.472 -6.483 1.00 0.00 C ATOM 0 H ILE A 65 -6.951 -4.263 -5.221 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.044 -6.562 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.336 -4.831 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.432 -5.352 -6.710 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.018 -6.096 -7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.181 -6.970 -5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.217 -6.563 -4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.329 -7.792 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.906 -7.651 -7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.589 -8.248 -6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.025 -7.493 -5.631 1.00 0.00 H new ATOM 852 N CYS A 66 -4.042 -5.467 -2.408 1.00 0.00 N ATOM 853 CA CYS A 66 -3.207 -4.863 -1.374 1.00 0.00 C ATOM 854 C CYS A 66 -2.016 -5.762 -1.072 1.00 0.00 C ATOM 855 O CYS A 66 -2.182 -6.920 -0.688 1.00 0.00 O ATOM 856 CB CYS A 66 -4.012 -4.630 -0.095 1.00 0.00 C ATOM 857 SG CYS A 66 -4.454 -2.889 0.203 1.00 0.00 S ATOM 0 H CYS A 66 -3.815 -6.441 -2.607 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.850 -3.901 -1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.926 -5.222 -0.142 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.437 -4.998 0.755 1.00 0.00 H new ATOM 862 N GLU A 67 -0.816 -5.229 -1.259 1.00 0.00 N ATOM 863 CA GLU A 67 0.399 -5.996 -1.024 1.00 0.00 C ATOM 864 C GLU A 67 1.392 -5.211 -0.180 1.00 0.00 C ATOM 865 O GLU A 67 1.170 -4.042 0.135 1.00 0.00 O ATOM 866 CB GLU A 67 1.040 -6.379 -2.358 1.00 0.00 C ATOM 867 CG GLU A 67 1.025 -7.874 -2.634 1.00 0.00 C ATOM 868 CD GLU A 67 2.418 -8.446 -2.812 1.00 0.00 C ATOM 869 OE1 GLU A 67 3.181 -8.468 -1.824 1.00 0.00 O ATOM 870 OE2 GLU A 67 2.745 -8.870 -3.941 1.00 0.00 O ATOM 0 H GLU A 67 -0.658 -4.271 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 67 0.128 -6.899 -0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.517 -5.864 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.071 -6.026 -2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.528 -8.387 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.438 -8.069 -3.532 1.00 0.00 H new ATOM 877 N SER A 68 2.491 -5.863 0.178 1.00 0.00 N ATOM 878 CA SER A 68 3.528 -5.229 0.976 1.00 0.00 C ATOM 879 C SER A 68 4.662 -4.733 0.086 1.00 0.00 C ATOM 880 O SER A 68 5.261 -5.506 -0.661 1.00 0.00 O ATOM 881 CB SER A 68 4.069 -6.211 2.020 1.00 0.00 C ATOM 882 OG SER A 68 5.217 -6.892 1.542 1.00 0.00 O ATOM 0 H SER A 68 2.686 -6.832 -0.073 1.00 0.00 H new ATOM 0 HA SER A 68 3.091 -4.373 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.318 -5.672 2.934 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.295 -6.934 2.277 1.00 0.00 H new ATOM 0 HG SER A 68 5.254 -6.825 0.565 1.00 0.00 H new ATOM 888 N VAL A 69 4.952 -3.439 0.172 1.00 0.00 N ATOM 889 CA VAL A 69 6.011 -2.837 -0.626 1.00 0.00 C ATOM 890 C VAL A 69 7.288 -3.662 -0.557 1.00 0.00 C ATOM 891 O VAL A 69 8.033 -3.593 0.420 1.00 0.00 O ATOM 892 CB VAL A 69 6.324 -1.407 -0.164 1.00 0.00 C ATOM 893 CG1 VAL A 69 5.135 -0.490 -0.403 1.00 0.00 C ATOM 894 CG2 VAL A 69 6.735 -1.394 1.300 1.00 0.00 C ATOM 0 H VAL A 69 4.467 -2.787 0.788 1.00 0.00 H new ATOM 0 HA VAL A 69 5.648 -2.810 -1.653 1.00 0.00 H new ATOM 0 HB VAL A 69 7.161 -1.033 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.380 0.518 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.898 -0.471 -1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.274 -0.858 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.953 -0.371 1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.923 -1.791 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.624 -2.010 1.434 1.00 0.00 H new ATOM 904 N LYS A 70 7.535 -4.436 -1.601 1.00 0.00 N ATOM 905 CA LYS A 70 8.713 -5.289 -1.652 1.00 0.00 C ATOM 906 C LYS A 70 9.863 -4.619 -2.394 1.00 0.00 C ATOM 907 O LYS A 70 9.911 -4.634 -3.624 1.00 0.00 O ATOM 908 CB LYS A 70 8.378 -6.618 -2.330 1.00 0.00 C ATOM 909 CG LYS A 70 7.980 -7.715 -1.358 1.00 0.00 C ATOM 910 CD LYS A 70 9.165 -8.602 -1.016 1.00 0.00 C ATOM 911 CE LYS A 70 9.000 -9.247 0.350 1.00 0.00 C ATOM 912 NZ LYS A 70 8.084 -10.421 0.305 1.00 0.00 N ATOM 0 H LYS A 70 6.936 -4.492 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 70 9.027 -5.469 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.565 -6.460 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.242 -6.950 -2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.581 -7.270 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.184 -8.319 -1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.272 -9.377 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.081 -8.011 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.975 -9.562 0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.612 -8.511 1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.999 -10.832 1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.146 -10.117 -0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.467 -11.135 -0.347 1.00 0.00 H new ATOM 926 N CYS A 71 10.800 -4.051 -1.642 1.00 0.00 N ATOM 927 CA CYS A 71 11.988 -3.461 -2.233 1.00 0.00 C ATOM 928 C CYS A 71 12.959 -4.569 -2.587 1.00 0.00 C ATOM 929 O CYS A 71 13.231 -5.444 -1.764 1.00 0.00 O ATOM 930 CB CYS A 71 12.653 -2.487 -1.264 1.00 0.00 C ATOM 931 SG CYS A 71 11.484 -1.517 -0.259 1.00 0.00 S ATOM 0 H CYS A 71 10.757 -3.988 -0.625 1.00 0.00 H new ATOM 0 HA CYS A 71 11.702 -2.908 -3.128 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.310 -3.047 -0.598 1.00 0.00 H new ATOM 0 HB3 CYS A 71 13.283 -1.801 -1.831 1.00 0.00 H new ATOM 936 N GLN A 72 13.471 -4.556 -3.804 1.00 0.00 N ATOM 937 CA GLN A 72 14.396 -5.587 -4.214 1.00 0.00 C ATOM 938 C GLN A 72 15.701 -5.431 -3.450 1.00 0.00 C ATOM 939 O GLN A 72 15.812 -4.592 -2.557 1.00 0.00 O ATOM 940 CB GLN A 72 14.593 -5.570 -5.741 1.00 0.00 C ATOM 941 CG GLN A 72 15.814 -4.813 -6.242 1.00 0.00 C ATOM 942 CD GLN A 72 15.474 -3.835 -7.347 1.00 0.00 C ATOM 943 OE1 GLN A 72 16.166 -3.758 -8.362 1.00 0.00 O ATOM 944 NE2 GLN A 72 14.400 -3.078 -7.150 1.00 0.00 N ATOM 0 H GLN A 72 13.264 -3.853 -4.514 1.00 0.00 H new ATOM 0 HA GLN A 72 13.986 -6.567 -3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.658 -6.600 -6.092 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.705 -5.133 -6.198 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.270 -4.274 -5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.555 -5.525 -6.606 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.857 -3.177 -6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.119 -2.398 -7.856 1.00 0.00 H new ATOM 953 N SER A 73 16.676 -6.242 -3.797 1.00 0.00 N ATOM 954 CA SER A 73 17.952 -6.218 -3.115 1.00 0.00 C ATOM 955 C SER A 73 18.718 -4.929 -3.385 1.00 0.00 C ATOM 956 O SER A 73 19.230 -4.721 -4.485 1.00 0.00 O ATOM 957 CB SER A 73 18.785 -7.415 -3.548 1.00 0.00 C ATOM 958 OG SER A 73 20.173 -7.157 -3.419 1.00 0.00 O ATOM 0 H SER A 73 16.610 -6.928 -4.549 1.00 0.00 H new ATOM 0 HA SER A 73 17.758 -6.267 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.518 -8.283 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.555 -7.664 -4.584 1.00 0.00 H new ATOM 0 HG SER A 73 20.445 -7.289 -2.487 1.00 0.00 H new ATOM 964 N PRO A 74 18.832 -4.051 -2.372 1.00 0.00 N ATOM 965 CA PRO A 74 19.633 -2.836 -2.452 1.00 0.00 C ATOM 966 C PRO A 74 20.883 -3.010 -3.204 1.00 0.00 C ATOM 967 O PRO A 74 21.345 -4.142 -3.354 1.00 0.00 O ATOM 968 CB PRO A 74 20.107 -2.698 -1.027 1.00 0.00 C ATOM 969 CG PRO A 74 18.942 -3.082 -0.257 1.00 0.00 C ATOM 970 CD PRO A 74 18.318 -4.238 -1.002 1.00 0.00 C ATOM 0 HA PRO A 74 19.057 -2.031 -2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.959 -3.346 -0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 74 20.421 -1.678 -0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 74 19.221 -3.375 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.242 -2.251 -0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 74 18.618 -5.199 -0.584 1.00 0.00 H new ATOM 0 HD3 PRO A 74 17.229 -4.202 -0.969 1.00 0.00 H new ATOM 978 N PRO A 75 21.661 -1.952 -3.285 1.00 0.00 N ATOM 979 CA PRO A 75 21.280 -0.549 -3.059 1.00 0.00 C ATOM 980 C PRO A 75 20.347 0.018 -4.115 1.00 0.00 C ATOM 981 O PRO A 75 19.842 -0.694 -4.983 1.00 0.00 O ATOM 982 CB PRO A 75 22.638 0.134 -3.247 1.00 0.00 C ATOM 983 CG PRO A 75 23.213 -0.698 -4.312 1.00 0.00 C ATOM 984 CD PRO A 75 23.000 -2.039 -3.733 1.00 0.00 C ATOM 0 HA PRO A 75 20.761 -0.418 -2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 75 22.539 1.178 -3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 75 23.239 0.117 -2.338 1.00 0.00 H new ATOM 0 HG2 PRO A 75 22.699 -0.569 -5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 75 24.267 -0.482 -4.486 1.00 0.00 H new ATOM 0 HD2 PRO A 75 23.133 -2.829 -4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 75 23.692 -2.246 -2.916 1.00 0.00 H new ATOM 992 N SER A 76 20.230 1.339 -4.077 1.00 0.00 N ATOM 993 CA SER A 76 19.513 2.104 -5.082 1.00 0.00 C ATOM 994 C SER A 76 20.357 3.324 -5.474 1.00 0.00 C ATOM 995 O SER A 76 19.845 4.298 -6.027 1.00 0.00 O ATOM 996 CB SER A 76 18.149 2.550 -4.552 1.00 0.00 C ATOM 997 OG SER A 76 17.424 3.260 -5.541 1.00 0.00 O ATOM 0 H SER A 76 20.636 1.913 -3.338 1.00 0.00 H new ATOM 0 HA SER A 76 19.343 1.478 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 76 17.577 1.679 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.285 3.181 -3.674 1.00 0.00 H new ATOM 0 HG SER A 76 17.986 3.974 -5.909 1.00 0.00 H new ATOM 1003 N ILE A 77 21.661 3.257 -5.164 1.00 0.00 N ATOM 1004 CA ILE A 77 22.591 4.343 -5.422 1.00 0.00 C ATOM 1005 C ILE A 77 23.534 4.004 -6.577 1.00 0.00 C ATOM 1006 O ILE A 77 23.250 3.120 -7.386 1.00 0.00 O ATOM 1007 CB ILE A 77 23.412 4.644 -4.143 1.00 0.00 C ATOM 1008 CG1 ILE A 77 24.480 3.568 -3.890 1.00 0.00 C ATOM 1009 CG2 ILE A 77 22.481 4.734 -2.948 1.00 0.00 C ATOM 1010 CD1 ILE A 77 25.428 3.911 -2.761 1.00 0.00 C ATOM 0 H ILE A 77 22.091 2.442 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 77 22.015 5.224 -5.704 1.00 0.00 H new ATOM 0 HB ILE A 77 23.923 5.596 -4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 77 23.986 2.623 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 77 25.055 3.417 -4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 77 23.061 4.946 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 77 21.758 5.533 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 77 21.954 3.788 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 77 26.154 3.107 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 77 25.950 4.839 -2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 77 24.864 4.033 -1.837 1.00 0.00 H new ATOM 1022 N SER A 78 24.671 4.693 -6.629 1.00 0.00 N ATOM 1023 CA SER A 78 25.670 4.442 -7.658 1.00 0.00 C ATOM 1024 C SER A 78 27.058 4.323 -7.042 1.00 0.00 C ATOM 1025 O SER A 78 27.440 5.119 -6.184 1.00 0.00 O ATOM 1026 CB SER A 78 25.651 5.559 -8.703 1.00 0.00 C ATOM 1027 OG SER A 78 24.345 6.084 -8.867 1.00 0.00 O ATOM 0 H SER A 78 24.921 5.429 -5.969 1.00 0.00 H new ATOM 0 HA SER A 78 25.427 3.499 -8.148 1.00 0.00 H new ATOM 0 HB2 SER A 78 26.331 6.355 -8.400 1.00 0.00 H new ATOM 0 HB3 SER A 78 26.014 5.175 -9.656 1.00 0.00 H new ATOM 0 HG SER A 78 24.361 6.797 -9.539 1.00 0.00 H new ATOM 1033 N ASN A 79 27.804 3.315 -7.478 1.00 0.00 N ATOM 1034 CA ASN A 79 29.148 3.077 -6.966 1.00 0.00 C ATOM 1035 C ASN A 79 29.098 2.586 -5.527 1.00 0.00 C ATOM 1036 O ASN A 79 30.021 2.827 -4.750 1.00 0.00 O ATOM 1037 CB ASN A 79 30.006 4.347 -7.043 1.00 0.00 C ATOM 1038 CG ASN A 79 29.579 5.299 -8.135 1.00 0.00 C ATOM 1039 OD1 ASN A 79 29.121 4.752 -9.246 1.00 0.00 O flip ATOM 1040 ND2 ASN A 79 29.648 6.518 -7.976 1.00 0.00 N flip ATOM 0 H ASN A 79 27.500 2.648 -8.187 1.00 0.00 H new ATOM 0 HA ASN A 79 29.603 2.309 -7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 79 29.962 4.864 -6.084 1.00 0.00 H new ATOM 0 HB3 ASN A 79 31.046 4.064 -7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 79 30.009 6.899 -7.101 1.00 0.00 H new ATOM 0 HD22 ASN A 79 29.345 7.147 -8.719 1.00 0.00 H new ATOM 1047 N GLY A 80 28.013 1.907 -5.170 1.00 0.00 N ATOM 1048 CA GLY A 80 27.886 1.394 -3.820 1.00 0.00 C ATOM 1049 C GLY A 80 27.166 0.064 -3.758 1.00 0.00 C ATOM 1050 O GLY A 80 26.809 -0.501 -4.791 1.00 0.00 O ATOM 0 H GLY A 80 27.226 1.704 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 80 28.879 1.284 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 80 27.349 2.120 -3.210 1.00 0.00 H new ATOM 1054 N ARG A 81 26.970 -0.446 -2.542 1.00 0.00 N ATOM 1055 CA ARG A 81 26.343 -1.749 -2.355 1.00 0.00 C ATOM 1056 C ARG A 81 25.626 -1.855 -1.020 1.00 0.00 C ATOM 1057 O ARG A 81 25.428 -0.865 -0.316 1.00 0.00 O ATOM 1058 CB ARG A 81 27.396 -2.845 -2.447 1.00 0.00 C ATOM 1059 CG ARG A 81 28.300 -2.706 -3.650 1.00 0.00 C ATOM 1060 CD ARG A 81 29.017 -4.004 -3.954 1.00 0.00 C ATOM 1061 NE ARG A 81 28.106 -5.026 -4.461 1.00 0.00 N ATOM 1062 CZ ARG A 81 28.491 -6.246 -4.821 1.00 0.00 C ATOM 1063 NH1 ARG A 81 27.599 -7.117 -5.273 1.00 0.00 N ATOM 1064 NH2 ARG A 81 29.766 -6.596 -4.731 1.00 0.00 N ATOM 0 H ARG A 81 27.236 0.023 -1.676 1.00 0.00 H new ATOM 0 HA ARG A 81 25.600 -1.868 -3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 81 28.003 -2.833 -1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 81 26.899 -3.814 -2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 81 27.712 -2.402 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 81 29.031 -1.918 -3.469 1.00 0.00 H new ATOM 0 HD2 ARG A 81 29.802 -3.821 -4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 81 29.505 -4.369 -3.050 1.00 0.00 H new ATOM 0 HE ARG A 81 27.117 -4.790 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 81 26.617 -6.851 -5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 81 27.895 -8.053 -5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 81 30.455 -5.928 -4.385 1.00 0.00 H new ATOM 0 HH22 ARG A 81 30.058 -7.533 -5.008 1.00 0.00 H new ATOM 1078 N HIS A 82 25.256 -3.083 -0.681 1.00 0.00 N ATOM 1079 CA HIS A 82 24.539 -3.363 0.553 1.00 0.00 C ATOM 1080 C HIS A 82 25.073 -4.617 1.232 1.00 0.00 C ATOM 1081 O HIS A 82 25.966 -5.290 0.716 1.00 0.00 O ATOM 1082 CB HIS A 82 23.052 -3.560 0.247 1.00 0.00 C ATOM 1083 CG HIS A 82 22.756 -4.842 -0.479 1.00 0.00 C ATOM 1084 ND1 HIS A 82 23.118 -5.066 -1.791 1.00 0.00 N ATOM 1085 CD2 HIS A 82 22.129 -5.969 -0.066 1.00 0.00 C ATOM 1086 CE1 HIS A 82 22.725 -6.275 -2.154 1.00 0.00 C ATOM 1087 NE2 HIS A 82 22.124 -6.842 -1.125 1.00 0.00 N ATOM 0 H HIS A 82 25.444 -3.908 -1.251 1.00 0.00 H new ATOM 0 HA HIS A 82 24.681 -2.516 1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.491 -3.543 1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.698 -2.722 -0.353 1.00 0.00 H new ATOM 0 HD2 HIS A 82 21.711 -6.147 0.914 1.00 0.00 H new ATOM 0 HE1 HIS A 82 22.871 -6.722 -3.126 1.00 0.00 H new ATOM 0 HE2 HIS A 82 21.720 -7.779 -1.118 1.00 0.00 H new ATOM 1096 N ASN A 83 24.460 -4.959 2.356 1.00 0.00 N ATOM 1097 CA ASN A 83 24.791 -6.184 3.073 1.00 0.00 C ATOM 1098 C ASN A 83 23.533 -7.033 3.245 1.00 0.00 C ATOM 1099 O ASN A 83 23.385 -8.075 2.607 1.00 0.00 O ATOM 1100 CB ASN A 83 25.419 -5.879 4.436 1.00 0.00 C ATOM 1101 CG ASN A 83 24.861 -4.625 5.078 1.00 0.00 C ATOM 1102 OD1 ASN A 83 23.809 -4.126 4.680 1.00 0.00 O ATOM 1103 ND2 ASN A 83 25.556 -4.122 6.091 1.00 0.00 N ATOM 0 H ASN A 83 23.726 -4.402 2.794 1.00 0.00 H new ATOM 0 HA ASN A 83 25.525 -6.738 2.488 1.00 0.00 H new ATOM 0 HB2 ASN A 83 25.255 -6.726 5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 83 26.497 -5.771 4.317 1.00 0.00 H new ATOM 0 HD21 ASN A 83 25.222 -3.288 6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 83 26.423 -4.570 6.387 1.00 0.00 H new ATOM 1165 N PHE A 88 14.963 -9.991 -0.484 1.00 0.00 N ATOM 1166 CA PHE A 88 13.949 -8.960 -0.650 1.00 0.00 C ATOM 1167 C PHE A 88 13.644 -8.296 0.685 1.00 0.00 C ATOM 1168 O PHE A 88 14.178 -8.693 1.720 1.00 0.00 O ATOM 1169 CB PHE A 88 12.674 -9.552 -1.249 1.00 0.00 C ATOM 1170 CG PHE A 88 12.619 -9.449 -2.741 1.00 0.00 C ATOM 1171 CD1 PHE A 88 11.819 -8.499 -3.350 1.00 0.00 C ATOM 1172 CD2 PHE A 88 13.374 -10.295 -3.533 1.00 0.00 C ATOM 1173 CE1 PHE A 88 11.767 -8.398 -4.723 1.00 0.00 C ATOM 1174 CE2 PHE A 88 13.328 -10.200 -4.908 1.00 0.00 C ATOM 1175 CZ PHE A 88 12.523 -9.250 -5.506 1.00 0.00 C ATOM 0 HA PHE A 88 14.336 -8.206 -1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.598 -10.600 -0.961 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.810 -9.041 -0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.229 -7.829 -2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.006 -11.038 -3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.136 -7.654 -5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 88 13.920 -10.867 -5.516 1.00 0.00 H new ATOM 0 HZ PHE A 88 12.484 -9.173 -6.583 1.00 0.00 H new ATOM 1185 N TYR A 89 12.794 -7.278 0.659 1.00 0.00 N ATOM 1186 CA TYR A 89 12.464 -6.543 1.870 1.00 0.00 C ATOM 1187 C TYR A 89 11.005 -6.101 1.871 1.00 0.00 C ATOM 1188 O TYR A 89 10.267 -6.371 0.924 1.00 0.00 O ATOM 1189 CB TYR A 89 13.394 -5.338 1.993 1.00 0.00 C ATOM 1190 CG TYR A 89 14.855 -5.715 1.967 1.00 0.00 C ATOM 1191 CD1 TYR A 89 15.593 -5.787 3.141 1.00 0.00 C ATOM 1192 CD2 TYR A 89 15.488 -6.036 0.773 1.00 0.00 C ATOM 1193 CE1 TYR A 89 16.931 -6.131 3.122 1.00 0.00 C ATOM 1194 CE2 TYR A 89 16.832 -6.356 0.744 1.00 0.00 C ATOM 1195 CZ TYR A 89 17.545 -6.415 1.922 1.00 0.00 C ATOM 1196 OH TYR A 89 18.877 -6.758 1.899 1.00 0.00 O ATOM 0 H TYR A 89 12.324 -6.945 -0.183 1.00 0.00 H new ATOM 0 HA TYR A 89 12.603 -7.199 2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.189 -4.643 1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.177 -4.812 2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 89 15.113 -5.571 4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.921 -6.035 -0.146 1.00 0.00 H new ATOM 0 HE1 TYR A 89 17.493 -6.177 4.043 1.00 0.00 H new ATOM 0 HE2 TYR A 89 17.321 -6.559 -0.197 1.00 0.00 H new ATOM 0 HH TYR A 89 19.155 -6.928 0.975 1.00 0.00 H new ATOM 1206 N THR A 90 10.586 -5.443 2.949 1.00 0.00 N ATOM 1207 CA THR A 90 9.202 -5.001 3.076 1.00 0.00 C ATOM 1208 C THR A 90 9.107 -3.603 3.679 1.00 0.00 C ATOM 1209 O THR A 90 10.117 -2.971 3.986 1.00 0.00 O ATOM 1210 CB THR A 90 8.413 -5.990 3.935 1.00 0.00 C ATOM 1211 OG1 THR A 90 9.096 -6.255 5.148 1.00 0.00 O ATOM 1212 CG2 THR A 90 8.166 -7.313 3.246 1.00 0.00 C ATOM 0 H THR A 90 11.182 -5.206 3.742 1.00 0.00 H new ATOM 0 HA THR A 90 8.775 -4.963 2.074 1.00 0.00 H new ATOM 0 HB THR A 90 7.451 -5.512 4.121 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.575 -6.888 5.685 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.602 -7.969 3.909 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.598 -7.146 2.331 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.120 -7.779 3.001 1.00 0.00 H new ATOM 1220 N ASP A 91 7.875 -3.134 3.847 1.00 0.00 N ATOM 1221 CA ASP A 91 7.615 -1.810 4.394 1.00 0.00 C ATOM 1222 C ASP A 91 8.234 -1.639 5.768 1.00 0.00 C ATOM 1223 O ASP A 91 7.632 -1.983 6.785 1.00 0.00 O ATOM 1224 CB ASP A 91 6.111 -1.555 4.482 1.00 0.00 C ATOM 1225 CG ASP A 91 5.340 -2.772 4.956 1.00 0.00 C ATOM 1226 OD1 ASP A 91 5.177 -2.930 6.185 1.00 0.00 O ATOM 1227 OD2 ASP A 91 4.900 -3.567 4.099 1.00 0.00 O ATOM 0 H ASP A 91 7.034 -3.659 3.609 1.00 0.00 H new ATOM 0 HA ASP A 91 8.072 -1.087 3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.926 -0.724 5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.740 -1.253 3.503 1.00 0.00 H new ATOM 1232 N GLY A 92 9.424 -1.065 5.790 1.00 0.00 N ATOM 1233 CA GLY A 92 10.090 -0.792 7.046 1.00 0.00 C ATOM 1234 C GLY A 92 11.356 -1.599 7.246 1.00 0.00 C ATOM 1235 O GLY A 92 11.653 -2.023 8.363 1.00 0.00 O ATOM 0 H GLY A 92 9.943 -0.782 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.333 0.269 7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.402 -1.000 7.866 1.00 0.00 H new ATOM 1239 N SER A 93 12.120 -1.794 6.177 1.00 0.00 N ATOM 1240 CA SER A 93 13.378 -2.534 6.279 1.00 0.00 C ATOM 1241 C SER A 93 14.570 -1.583 6.203 1.00 0.00 C ATOM 1242 O SER A 93 14.465 -0.487 5.653 1.00 0.00 O ATOM 1243 CB SER A 93 13.477 -3.596 5.182 1.00 0.00 C ATOM 1244 OG SER A 93 12.193 -3.986 4.728 1.00 0.00 O ATOM 0 H SER A 93 11.897 -1.456 5.241 1.00 0.00 H new ATOM 0 HA SER A 93 13.395 -3.036 7.246 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.058 -3.206 4.346 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.011 -4.467 5.563 1.00 0.00 H new ATOM 0 HG SER A 93 11.758 -3.227 4.285 1.00 0.00 H new ATOM 1250 N VAL A 94 15.696 -1.999 6.774 1.00 0.00 N ATOM 1251 CA VAL A 94 16.898 -1.171 6.781 1.00 0.00 C ATOM 1252 C VAL A 94 18.132 -1.986 6.412 1.00 0.00 C ATOM 1253 O VAL A 94 18.236 -3.166 6.747 1.00 0.00 O ATOM 1254 CB VAL A 94 17.108 -0.498 8.155 1.00 0.00 C ATOM 1255 CG1 VAL A 94 15.957 0.446 8.453 1.00 0.00 C ATOM 1256 CG2 VAL A 94 18.436 0.248 8.210 1.00 0.00 C ATOM 0 H VAL A 94 15.802 -2.902 7.237 1.00 0.00 H new ATOM 0 HA VAL A 94 16.755 -0.393 6.031 1.00 0.00 H new ATOM 0 HB VAL A 94 17.134 -1.279 8.915 1.00 0.00 H new ATOM 0 HG11 VAL A 94 16.114 0.916 9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 94 15.908 1.215 7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.022 -0.114 8.468 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.553 0.710 9.190 1.00 0.00 H new ATOM 0 HG22 VAL A 94 19.254 -0.452 8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.452 1.020 7.441 1.00 0.00 H new ATOM 1266 N VAL A 95 19.072 -1.338 5.731 1.00 0.00 N ATOM 1267 CA VAL A 95 20.297 -2.007 5.301 1.00 0.00 C ATOM 1268 C VAL A 95 21.469 -1.029 5.230 1.00 0.00 C ATOM 1269 O VAL A 95 21.327 0.090 4.737 1.00 0.00 O ATOM 1270 CB VAL A 95 20.125 -2.675 3.918 1.00 0.00 C ATOM 1271 CG1 VAL A 95 21.072 -3.852 3.764 1.00 0.00 C ATOM 1272 CG2 VAL A 95 18.687 -3.122 3.691 1.00 0.00 C ATOM 0 H VAL A 95 19.011 -0.355 5.466 1.00 0.00 H new ATOM 0 HA VAL A 95 20.508 -2.774 6.046 1.00 0.00 H new ATOM 0 HB VAL A 95 20.370 -1.929 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 95 20.932 -4.306 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 95 22.101 -3.506 3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 95 20.863 -4.590 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.601 -3.587 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.404 -3.841 4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 95 18.025 -2.258 3.742 1.00 0.00 H new ATOM 1282 N THR A 96 22.629 -1.463 5.719 1.00 0.00 N ATOM 1283 CA THR A 96 23.838 -0.642 5.672 1.00 0.00 C ATOM 1284 C THR A 96 24.570 -0.878 4.356 1.00 0.00 C ATOM 1285 O THR A 96 24.731 -2.019 3.925 1.00 0.00 O ATOM 1286 CB THR A 96 24.755 -0.958 6.855 1.00 0.00 C ATOM 1287 OG1 THR A 96 24.267 -2.071 7.583 1.00 0.00 O ATOM 1288 CG2 THR A 96 24.905 0.196 7.821 1.00 0.00 C ATOM 0 H THR A 96 22.758 -2.378 6.152 1.00 0.00 H new ATOM 0 HA THR A 96 23.551 0.407 5.738 1.00 0.00 H new ATOM 0 HB THR A 96 25.730 -1.170 6.417 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.867 -2.259 8.334 1.00 0.00 H new ATOM 0 HG21 THR A 96 25.568 -0.095 8.636 1.00 0.00 H new ATOM 0 HG22 THR A 96 25.327 1.055 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 96 23.928 0.461 8.225 1.00 0.00 H new ATOM 1296 N TYR A 97 24.963 0.203 3.689 1.00 0.00 N ATOM 1297 CA TYR A 97 25.578 0.091 2.372 1.00 0.00 C ATOM 1298 C TYR A 97 27.092 0.195 2.426 1.00 0.00 C ATOM 1299 O TYR A 97 27.655 0.904 3.260 1.00 0.00 O ATOM 1300 CB TYR A 97 25.035 1.171 1.435 1.00 0.00 C ATOM 1301 CG TYR A 97 23.627 0.926 0.952 1.00 0.00 C ATOM 1302 CD1 TYR A 97 22.705 0.240 1.735 1.00 0.00 C ATOM 1303 CD2 TYR A 97 23.203 1.415 -0.274 1.00 0.00 C ATOM 1304 CE1 TYR A 97 21.419 0.026 1.300 1.00 0.00 C ATOM 1305 CE2 TYR A 97 21.906 1.237 -0.690 1.00 0.00 C ATOM 1306 CZ TYR A 97 21.021 0.531 0.092 1.00 0.00 C ATOM 1307 OH TYR A 97 19.734 0.322 -0.352 1.00 0.00 O ATOM 0 H TYR A 97 24.868 1.158 4.035 1.00 0.00 H new ATOM 0 HA TYR A 97 25.322 -0.898 1.993 1.00 0.00 H new ATOM 0 HB2 TYR A 97 25.068 2.131 1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 97 25.694 1.250 0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 97 23.005 -0.132 2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 97 23.900 1.942 -0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 97 20.727 -0.537 1.908 1.00 0.00 H new ATOM 0 HE2 TYR A 97 21.580 1.652 -1.632 1.00 0.00 H new ATOM 0 HH TYR A 97 19.177 0.015 0.393 1.00 0.00 H new ATOM 1317 N SER A 98 27.737 -0.483 1.486 1.00 0.00 N ATOM 1318 CA SER A 98 29.189 -0.445 1.367 1.00 0.00 C ATOM 1319 C SER A 98 29.590 -0.128 -0.070 1.00 0.00 C ATOM 1320 O SER A 98 28.975 -0.621 -1.015 1.00 0.00 O ATOM 1321 CB SER A 98 29.798 -1.776 1.801 1.00 0.00 C ATOM 1322 OG SER A 98 29.352 -2.837 0.974 1.00 0.00 O ATOM 0 H SER A 98 27.275 -1.069 0.791 1.00 0.00 H new ATOM 0 HA SER A 98 29.569 0.339 2.022 1.00 0.00 H new ATOM 0 HB2 SER A 98 30.885 -1.712 1.760 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.529 -1.981 2.837 1.00 0.00 H new ATOM 0 HG SER A 98 29.758 -3.677 1.273 1.00 0.00 H new ATOM 1328 N CYS A 99 30.616 0.701 -0.234 1.00 0.00 N ATOM 1329 CA CYS A 99 31.050 1.110 -1.562 1.00 0.00 C ATOM 1330 C CYS A 99 31.691 -0.040 -2.333 1.00 0.00 C ATOM 1331 O CYS A 99 32.436 -0.844 -1.774 1.00 0.00 O ATOM 1332 CB CYS A 99 32.021 2.281 -1.472 1.00 0.00 C ATOM 1333 SG CYS A 99 31.267 3.833 -0.889 1.00 0.00 S ATOM 0 H CYS A 99 31.159 1.100 0.532 1.00 0.00 H new ATOM 0 HA CYS A 99 30.160 1.422 -2.108 1.00 0.00 H new ATOM 0 HB2 CYS A 99 32.836 2.012 -0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 99 32.460 2.450 -2.455 1.00 0.00 H new ATOM 1338 N ASN A 100 31.407 -0.086 -3.632 1.00 0.00 N ATOM 1339 CA ASN A 100 31.925 -1.141 -4.505 1.00 0.00 C ATOM 1340 C ASN A 100 33.454 -1.228 -4.471 1.00 0.00 C ATOM 1341 O ASN A 100 34.023 -2.055 -3.759 1.00 0.00 O ATOM 1342 CB ASN A 100 31.467 -0.904 -5.947 1.00 0.00 C ATOM 1343 CG ASN A 100 30.138 -1.554 -6.257 1.00 0.00 C ATOM 1344 OD1 ASN A 100 29.081 -0.758 -6.213 1.00 0.00 O flip ATOM 1345 ND2 ASN A 100 30.065 -2.745 -6.554 1.00 0.00 N flip ATOM 0 H ASN A 100 30.818 0.598 -4.107 1.00 0.00 H new ATOM 0 HA ASN A 100 31.527 -2.085 -4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 100 31.392 0.168 -6.127 1.00 0.00 H new ATOM 0 HB3 ASN A 100 32.223 -1.290 -6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 100 30.908 -3.318 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 100 29.161 -3.160 -6.780 1.00 0.00 H new ATOM 1352 N SER A 101 34.108 -0.411 -5.299 1.00 0.00 N ATOM 1353 CA SER A 101 35.561 -0.444 -5.438 1.00 0.00 C ATOM 1354 C SER A 101 36.276 0.102 -4.206 1.00 0.00 C ATOM 1355 O SER A 101 37.476 -0.113 -4.034 1.00 0.00 O ATOM 1356 CB SER A 101 35.973 0.360 -6.671 1.00 0.00 C ATOM 1357 OG SER A 101 36.924 -0.347 -7.449 1.00 0.00 O ATOM 0 H SER A 101 33.649 0.285 -5.886 1.00 0.00 H new ATOM 0 HA SER A 101 35.857 -1.487 -5.549 1.00 0.00 H new ATOM 0 HB2 SER A 101 35.094 0.578 -7.277 1.00 0.00 H new ATOM 0 HB3 SER A 101 36.392 1.317 -6.361 1.00 0.00 H new ATOM 0 HG SER A 101 37.169 0.189 -8.232 1.00 0.00 H new ATOM 1363 N GLY A 102 35.552 0.827 -3.366 1.00 0.00 N ATOM 1364 CA GLY A 102 36.157 1.381 -2.169 1.00 0.00 C ATOM 1365 C GLY A 102 35.914 2.871 -2.013 1.00 0.00 C ATOM 1366 O GLY A 102 36.712 3.573 -1.394 1.00 0.00 O ATOM 0 H GLY A 102 34.562 1.042 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 102 35.762 0.861 -1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 102 37.231 1.195 -2.192 1.00 0.00 H new ATOM 1370 N TYR A 103 34.788 3.344 -2.533 1.00 0.00 N ATOM 1371 CA TYR A 103 34.427 4.747 -2.427 1.00 0.00 C ATOM 1372 C TYR A 103 34.105 5.094 -0.979 1.00 0.00 C ATOM 1373 O TYR A 103 34.321 4.286 -0.075 1.00 0.00 O ATOM 1374 CB TYR A 103 33.216 5.040 -3.319 1.00 0.00 C ATOM 1375 CG TYR A 103 33.565 5.265 -4.772 1.00 0.00 C ATOM 1376 CD1 TYR A 103 34.134 6.460 -5.193 1.00 0.00 C ATOM 1377 CD2 TYR A 103 33.311 4.287 -5.726 1.00 0.00 C ATOM 1378 CE1 TYR A 103 34.448 6.671 -6.523 1.00 0.00 C ATOM 1379 CE2 TYR A 103 33.622 4.491 -7.057 1.00 0.00 C ATOM 1380 CZ TYR A 103 34.190 5.684 -7.450 1.00 0.00 C ATOM 1381 OH TYR A 103 34.502 5.891 -8.774 1.00 0.00 O ATOM 0 H TYR A 103 34.108 2.772 -3.034 1.00 0.00 H new ATOM 0 HA TYR A 103 35.268 5.357 -2.757 1.00 0.00 H new ATOM 0 HB2 TYR A 103 32.516 4.208 -3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 103 32.702 5.922 -2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 103 34.334 7.237 -4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 103 32.863 3.352 -5.422 1.00 0.00 H new ATOM 0 HE1 TYR A 103 34.893 7.605 -6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 103 33.421 3.720 -7.786 1.00 0.00 H new ATOM 0 HH TYR A 103 34.258 5.098 -9.295 1.00 0.00 H new ATOM 1391 N SER A 104 33.596 6.297 -0.761 1.00 0.00 N ATOM 1392 CA SER A 104 33.253 6.745 0.577 1.00 0.00 C ATOM 1393 C SER A 104 31.744 6.796 0.763 1.00 0.00 C ATOM 1394 O SER A 104 31.067 7.663 0.206 1.00 0.00 O ATOM 1395 CB SER A 104 33.860 8.124 0.845 1.00 0.00 C ATOM 1396 OG SER A 104 32.967 9.158 0.467 1.00 0.00 O ATOM 0 H SER A 104 33.412 6.980 -1.496 1.00 0.00 H new ATOM 0 HA SER A 104 33.663 6.030 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 104 34.103 8.218 1.903 1.00 0.00 H new ATOM 0 HB3 SER A 104 34.794 8.227 0.293 1.00 0.00 H new ATOM 0 HG SER A 104 32.925 9.213 -0.511 1.00 0.00 H new ATOM 1402 N LEU A 105 31.226 5.860 1.552 1.00 0.00 N ATOM 1403 CA LEU A 105 29.800 5.802 1.854 1.00 0.00 C ATOM 1404 C LEU A 105 29.298 7.173 2.285 1.00 0.00 C ATOM 1405 O LEU A 105 29.559 7.619 3.402 1.00 0.00 O ATOM 1406 CB LEU A 105 29.541 4.784 2.965 1.00 0.00 C ATOM 1407 CG LEU A 105 28.465 3.735 2.669 1.00 0.00 C ATOM 1408 CD1 LEU A 105 28.622 3.172 1.265 1.00 0.00 C ATOM 1409 CD2 LEU A 105 27.073 4.319 2.870 1.00 0.00 C ATOM 0 H LEU A 105 31.777 5.126 1.997 1.00 0.00 H new ATOM 0 HA LEU A 105 29.265 5.495 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 105 30.475 4.267 3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 105 29.257 5.324 3.868 1.00 0.00 H new ATOM 0 HG LEU A 105 28.593 2.913 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 105 27.845 2.430 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.532 3.979 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.601 2.704 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 105 26.324 3.557 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 105 26.964 4.653 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 105 26.933 5.166 2.198 1.00 0.00 H new ATOM 1421 N ILE A 106 28.617 7.853 1.378 1.00 0.00 N ATOM 1422 CA ILE A 106 28.103 9.181 1.651 1.00 0.00 C ATOM 1423 C ILE A 106 26.793 9.106 2.412 1.00 0.00 C ATOM 1424 O ILE A 106 26.080 8.111 2.340 1.00 0.00 O ATOM 1425 CB ILE A 106 27.891 9.968 0.352 1.00 0.00 C ATOM 1426 CG1 ILE A 106 29.202 10.062 -0.423 1.00 0.00 C ATOM 1427 CG2 ILE A 106 27.343 11.353 0.647 1.00 0.00 C ATOM 1428 CD1 ILE A 106 30.263 10.873 0.288 1.00 0.00 C ATOM 0 H ILE A 106 28.408 7.504 0.443 1.00 0.00 H new ATOM 0 HA ILE A 106 28.843 9.698 2.261 1.00 0.00 H new ATOM 0 HB ILE A 106 27.160 9.439 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 106 29.583 9.056 -0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 106 29.008 10.507 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 106 27.200 11.894 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 106 26.388 11.264 1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 106 28.047 11.896 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 106 31.168 10.899 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 106 29.901 11.889 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 106 30.485 10.416 1.252 1.00 0.00 H new ATOM 1440 N GLY A 107 26.482 10.169 3.135 1.00 0.00 N ATOM 1441 CA GLY A 107 25.265 10.196 3.917 1.00 0.00 C ATOM 1442 C GLY A 107 25.175 9.014 4.856 1.00 0.00 C ATOM 1443 O GLY A 107 26.129 8.703 5.569 1.00 0.00 O ATOM 0 H GLY A 107 27.050 11.014 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 107 25.223 11.121 4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 107 24.404 10.196 3.249 1.00 0.00 H new ATOM 1447 N ASN A 108 24.041 8.331 4.830 1.00 0.00 N ATOM 1448 CA ASN A 108 23.822 7.190 5.695 1.00 0.00 C ATOM 1449 C ASN A 108 23.851 5.879 4.932 1.00 0.00 C ATOM 1450 O ASN A 108 23.178 5.720 3.914 1.00 0.00 O ATOM 1451 CB ASN A 108 22.481 7.323 6.403 1.00 0.00 C ATOM 1452 CG ASN A 108 21.389 7.889 5.517 1.00 0.00 C ATOM 1453 OD1 ASN A 108 21.390 9.205 5.340 1.00 0.00 O flip ATOM 1454 ND2 ASN A 108 20.540 7.154 5.018 1.00 0.00 N flip ATOM 0 H ASN A 108 23.257 8.551 4.215 1.00 0.00 H new ATOM 0 HA ASN A 108 24.635 7.177 6.421 1.00 0.00 H new ATOM 0 HB2 ASN A 108 22.172 6.344 6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 108 22.601 7.965 7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 108 20.578 6.148 5.180 1.00 0.00 H new ATOM 0 HD22 ASN A 108 19.798 7.550 4.441 1.00 0.00 H new ATOM 1461 N SER A 109 24.599 4.925 5.465 1.00 0.00 N ATOM 1462 CA SER A 109 24.635 3.589 4.903 1.00 0.00 C ATOM 1463 C SER A 109 23.285 2.926 5.132 1.00 0.00 C ATOM 1464 O SER A 109 22.820 2.130 4.316 1.00 0.00 O ATOM 1465 CB SER A 109 25.752 2.772 5.546 1.00 0.00 C ATOM 1466 OG SER A 109 26.545 3.574 6.403 1.00 0.00 O ATOM 0 H SER A 109 25.189 5.054 6.287 1.00 0.00 H new ATOM 0 HA SER A 109 24.836 3.644 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 109 25.322 1.945 6.112 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.379 2.334 4.769 1.00 0.00 H new ATOM 0 HG SER A 109 27.252 3.025 6.803 1.00 0.00 H new ATOM 1472 N GLY A 110 22.638 3.314 6.230 1.00 0.00 N ATOM 1473 CA GLY A 110 21.315 2.817 6.528 1.00 0.00 C ATOM 1474 C GLY A 110 20.308 3.288 5.503 1.00 0.00 C ATOM 1475 O GLY A 110 20.178 4.487 5.251 1.00 0.00 O ATOM 0 H GLY A 110 23.013 3.967 6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 110 21.330 1.727 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 110 21.012 3.153 7.520 1.00 0.00 H new ATOM 1479 N VAL A 111 19.623 2.343 4.884 1.00 0.00 N ATOM 1480 CA VAL A 111 18.667 2.651 3.834 1.00 0.00 C ATOM 1481 C VAL A 111 17.314 2.039 4.146 1.00 0.00 C ATOM 1482 O VAL A 111 17.224 0.847 4.401 1.00 0.00 O ATOM 1483 CB VAL A 111 19.188 2.121 2.496 1.00 0.00 C ATOM 1484 CG1 VAL A 111 18.282 2.495 1.343 1.00 0.00 C ATOM 1485 CG2 VAL A 111 20.597 2.639 2.263 1.00 0.00 C ATOM 0 H VAL A 111 19.712 1.348 5.092 1.00 0.00 H new ATOM 0 HA VAL A 111 18.547 3.733 3.773 1.00 0.00 H new ATOM 0 HB VAL A 111 19.202 1.032 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 111 18.692 2.098 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 111 17.289 2.077 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 111 18.211 3.580 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 111 20.970 2.263 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 111 20.585 3.729 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 111 21.248 2.298 3.068 1.00 0.00 H new ATOM 1495 N LEU A 112 16.274 2.869 4.169 1.00 0.00 N ATOM 1496 CA LEU A 112 14.933 2.405 4.515 1.00 0.00 C ATOM 1497 C LEU A 112 14.216 1.778 3.327 1.00 0.00 C ATOM 1498 O LEU A 112 14.187 2.341 2.234 1.00 0.00 O ATOM 1499 CB LEU A 112 14.092 3.570 5.057 1.00 0.00 C ATOM 1500 CG LEU A 112 12.588 3.289 5.185 1.00 0.00 C ATOM 1501 CD1 LEU A 112 11.841 4.546 5.601 1.00 0.00 C ATOM 1502 CD2 LEU A 112 12.339 2.166 6.180 1.00 0.00 C ATOM 0 H LEU A 112 16.334 3.864 3.953 1.00 0.00 H new ATOM 0 HA LEU A 112 15.049 1.638 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 112 14.477 3.849 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.230 4.431 4.403 1.00 0.00 H new ATOM 0 HG LEU A 112 12.214 2.976 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.777 4.326 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.218 4.892 6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.992 5.323 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.268 1.980 6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.841 1.260 5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.730 2.452 7.157 1.00 0.00 H new ATOM 1514 N CYS A 113 13.580 0.639 3.577 1.00 0.00 N ATOM 1515 CA CYS A 113 12.765 -0.025 2.572 1.00 0.00 C ATOM 1516 C CYS A 113 11.312 0.354 2.787 1.00 0.00 C ATOM 1517 O CYS A 113 10.686 -0.090 3.754 1.00 0.00 O ATOM 1518 CB CYS A 113 12.921 -1.543 2.661 1.00 0.00 C ATOM 1519 SG CYS A 113 11.714 -2.491 1.676 1.00 0.00 S ATOM 0 H CYS A 113 13.615 0.155 4.474 1.00 0.00 H new ATOM 0 HA CYS A 113 13.093 0.293 1.583 1.00 0.00 H new ATOM 0 HB2 CYS A 113 13.926 -1.811 2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 113 12.833 -1.843 3.705 1.00 0.00 H new ATOM 1524 N SER A 114 10.799 1.212 1.916 1.00 0.00 N ATOM 1525 CA SER A 114 9.424 1.675 2.028 1.00 0.00 C ATOM 1526 C SER A 114 8.941 2.295 0.724 1.00 0.00 C ATOM 1527 O SER A 114 9.730 2.575 -0.179 1.00 0.00 O ATOM 1528 CB SER A 114 9.300 2.695 3.161 1.00 0.00 C ATOM 1529 OG SER A 114 8.542 2.173 4.238 1.00 0.00 O ATOM 0 H SER A 114 11.314 1.601 1.126 1.00 0.00 H new ATOM 0 HA SER A 114 8.799 0.810 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.293 2.974 3.513 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.828 3.603 2.787 1.00 0.00 H new ATOM 0 HG SER A 114 8.890 1.291 4.485 1.00 0.00 H new ATOM 1535 N GLY A 115 7.633 2.494 0.636 1.00 0.00 N ATOM 1536 CA GLY A 115 7.041 3.091 -0.549 1.00 0.00 C ATOM 1537 C GLY A 115 7.288 2.287 -1.814 1.00 0.00 C ATOM 1538 O GLY A 115 7.070 2.783 -2.920 1.00 0.00 O ATOM 0 H GLY A 115 6.966 2.251 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.967 3.195 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.443 4.096 -0.681 1.00 0.00 H new ATOM 1542 N GLY A 116 7.721 1.038 -1.658 1.00 0.00 N ATOM 1543 CA GLY A 116 8.003 0.202 -2.811 1.00 0.00 C ATOM 1544 C GLY A 116 9.425 0.369 -3.314 1.00 0.00 C ATOM 1545 O GLY A 116 9.781 -0.152 -4.371 1.00 0.00 O ATOM 0 H GLY A 116 7.881 0.591 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.834 -0.842 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.306 0.447 -3.613 1.00 0.00 H new ATOM 1549 N GLU A 117 10.239 1.093 -2.552 1.00 0.00 N ATOM 1550 CA GLU A 117 11.629 1.329 -2.914 1.00 0.00 C ATOM 1551 C GLU A 117 12.451 1.663 -1.679 1.00 0.00 C ATOM 1552 O GLU A 117 11.942 1.647 -0.558 1.00 0.00 O ATOM 1553 CB GLU A 117 11.728 2.471 -3.924 1.00 0.00 C ATOM 1554 CG GLU A 117 10.808 2.307 -5.120 1.00 0.00 C ATOM 1555 CD GLU A 117 11.103 3.303 -6.224 1.00 0.00 C ATOM 1556 OE1 GLU A 117 12.295 3.580 -6.470 1.00 0.00 O ATOM 1557 OE2 GLU A 117 10.141 3.809 -6.839 1.00 0.00 O ATOM 0 H GLU A 117 9.955 1.528 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 117 12.024 0.419 -3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.494 3.410 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.757 2.546 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.906 1.295 -5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.774 2.424 -4.797 1.00 0.00 H new ATOM 1564 N TRP A 118 13.720 1.978 -1.891 1.00 0.00 N ATOM 1565 CA TRP A 118 14.610 2.324 -0.794 1.00 0.00 C ATOM 1566 C TRP A 118 14.689 3.834 -0.614 1.00 0.00 C ATOM 1567 O TRP A 118 14.879 4.578 -1.577 1.00 0.00 O ATOM 1568 CB TRP A 118 15.999 1.743 -1.037 1.00 0.00 C ATOM 1569 CG TRP A 118 16.047 0.271 -0.875 1.00 0.00 C ATOM 1570 CD1 TRP A 118 16.038 -0.650 -1.876 1.00 0.00 C ATOM 1571 CD2 TRP A 118 16.103 -0.463 0.352 1.00 0.00 C ATOM 1572 NE1 TRP A 118 16.088 -1.904 -1.354 1.00 0.00 N ATOM 1573 CE2 TRP A 118 16.093 -1.820 0.009 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.136 -0.111 1.706 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 16.188 -2.825 0.954 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.199 -1.123 2.651 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.224 -2.465 2.268 1.00 0.00 C ATOM 0 H TRP A 118 14.156 2.001 -2.813 1.00 0.00 H new ATOM 0 HA TRP A 118 14.206 1.894 0.123 1.00 0.00 H new ATOM 0 HB2 TRP A 118 16.324 2.003 -2.044 1.00 0.00 H new ATOM 0 HB3 TRP A 118 16.705 2.202 -0.345 1.00 0.00 H new ATOM 0 HD1 TRP A 118 15.997 -0.419 -2.930 1.00 0.00 H new ATOM 0 HE1 TRP A 118 16.117 -2.769 -1.894 1.00 0.00 H new ATOM 0 HE3 TRP A 118 16.113 0.926 2.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 16.232 -3.863 0.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 16.229 -0.869 3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.273 -3.232 3.027 1.00 0.00 H new ATOM 1588 N SER A 119 14.519 4.280 0.624 1.00 0.00 N ATOM 1589 CA SER A 119 14.547 5.703 0.935 1.00 0.00 C ATOM 1590 C SER A 119 15.785 6.067 1.744 1.00 0.00 C ATOM 1591 O SER A 119 16.369 5.225 2.426 1.00 0.00 O ATOM 1592 CB SER A 119 13.287 6.099 1.708 1.00 0.00 C ATOM 1593 OG SER A 119 12.392 5.006 1.822 1.00 0.00 O ATOM 0 H SER A 119 14.360 3.676 1.430 1.00 0.00 H new ATOM 0 HA SER A 119 14.581 6.251 -0.007 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.563 6.452 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.791 6.927 1.201 1.00 0.00 H new ATOM 0 HG SER A 119 11.596 5.285 2.321 1.00 0.00 H new ATOM 1599 N ASP A 120 16.175 7.334 1.665 1.00 0.00 N ATOM 1600 CA ASP A 120 17.340 7.828 2.387 1.00 0.00 C ATOM 1601 C ASP A 120 18.600 7.023 2.063 1.00 0.00 C ATOM 1602 O ASP A 120 19.379 6.701 2.957 1.00 0.00 O ATOM 1603 CB ASP A 120 17.077 7.786 3.892 1.00 0.00 C ATOM 1604 CG ASP A 120 17.457 9.081 4.583 1.00 0.00 C ATOM 1605 OD1 ASP A 120 18.619 9.200 5.024 1.00 0.00 O ATOM 1606 OD2 ASP A 120 16.591 9.976 4.684 1.00 0.00 O ATOM 0 H ASP A 120 15.698 8.041 1.105 1.00 0.00 H new ATOM 0 HA ASP A 120 17.511 8.856 2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 120 16.021 7.580 4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 120 17.640 6.963 4.333 1.00 0.00 H new ATOM 1611 N PRO A 121 18.844 6.715 0.777 1.00 0.00 N ATOM 1612 CA PRO A 121 20.033 5.969 0.361 1.00 0.00 C ATOM 1613 C PRO A 121 21.277 6.854 0.322 1.00 0.00 C ATOM 1614 O PRO A 121 21.178 8.067 0.136 1.00 0.00 O ATOM 1615 CB PRO A 121 19.664 5.495 -1.041 1.00 0.00 C ATOM 1616 CG PRO A 121 18.757 6.555 -1.560 1.00 0.00 C ATOM 1617 CD PRO A 121 17.982 7.056 -0.370 1.00 0.00 C ATOM 0 HA PRO A 121 20.282 5.160 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 121 20.548 5.385 -1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 121 19.168 4.525 -1.015 1.00 0.00 H new ATOM 0 HG2 PRO A 121 19.325 7.362 -2.024 1.00 0.00 H new ATOM 0 HG3 PRO A 121 18.087 6.157 -2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 121 17.803 8.130 -0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 121 17.007 6.574 -0.295 1.00 0.00 H new ATOM 1625 N PRO A 122 22.468 6.259 0.499 1.00 0.00 N ATOM 1626 CA PRO A 122 23.724 7.000 0.506 1.00 0.00 C ATOM 1627 C PRO A 122 24.340 7.148 -0.870 1.00 0.00 C ATOM 1628 O PRO A 122 23.729 6.825 -1.887 1.00 0.00 O ATOM 1629 CB PRO A 122 24.627 6.130 1.372 1.00 0.00 C ATOM 1630 CG PRO A 122 24.120 4.733 1.198 1.00 0.00 C ATOM 1631 CD PRO A 122 22.685 4.822 0.739 1.00 0.00 C ATOM 0 HA PRO A 122 23.581 8.019 0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 122 25.668 6.212 1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 122 24.583 6.437 2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 122 24.723 4.195 0.467 1.00 0.00 H new ATOM 0 HG3 PRO A 122 24.189 4.181 2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 122 22.520 4.238 -0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 122 22.001 4.437 1.495 1.00 0.00 H new ATOM 1639 N THR A 123 25.570 7.628 -0.878 1.00 0.00 N ATOM 1640 CA THR A 123 26.333 7.770 -2.109 1.00 0.00 C ATOM 1641 C THR A 123 27.721 7.179 -1.918 1.00 0.00 C ATOM 1642 O THR A 123 28.060 6.716 -0.830 1.00 0.00 O ATOM 1643 CB THR A 123 26.434 9.239 -2.528 1.00 0.00 C ATOM 1644 OG1 THR A 123 25.635 10.054 -1.688 1.00 0.00 O ATOM 1645 CG2 THR A 123 26.002 9.486 -3.956 1.00 0.00 C ATOM 0 H THR A 123 26.067 7.929 -0.040 1.00 0.00 H new ATOM 0 HA THR A 123 25.816 7.231 -2.903 1.00 0.00 H new ATOM 0 HB THR A 123 27.490 9.494 -2.438 1.00 0.00 H new ATOM 0 HG1 THR A 123 25.713 10.989 -1.969 1.00 0.00 H new ATOM 0 HG21 THR A 123 26.099 10.547 -4.187 1.00 0.00 H new ATOM 0 HG22 THR A 123 26.633 8.909 -4.632 1.00 0.00 H new ATOM 0 HG23 THR A 123 24.963 9.181 -4.080 1.00 0.00 H new ATOM 1653 N CYS A 124 28.517 7.176 -2.975 1.00 0.00 N ATOM 1654 CA CYS A 124 29.860 6.626 -2.898 1.00 0.00 C ATOM 1655 C CYS A 124 30.847 7.497 -3.661 1.00 0.00 C ATOM 1656 O CYS A 124 30.965 7.400 -4.882 1.00 0.00 O ATOM 1657 CB CYS A 124 29.874 5.197 -3.442 1.00 0.00 C ATOM 1658 SG CYS A 124 29.497 3.936 -2.182 1.00 0.00 S ATOM 0 H CYS A 124 28.259 7.545 -3.890 1.00 0.00 H new ATOM 0 HA CYS A 124 30.166 6.607 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 124 29.149 5.118 -4.252 1.00 0.00 H new ATOM 0 HB3 CYS A 124 30.855 4.989 -3.870 1.00 0.00 H new ATOM 1663 N GLN A 125 31.544 8.362 -2.931 1.00 0.00 N ATOM 1664 CA GLN A 125 32.509 9.265 -3.537 1.00 0.00 C ATOM 1665 C GLN A 125 33.875 9.126 -2.880 1.00 0.00 C ATOM 1666 O GLN A 125 34.000 8.573 -1.788 1.00 0.00 O ATOM 1667 CB GLN A 125 32.022 10.710 -3.424 1.00 0.00 C ATOM 1668 CG GLN A 125 31.129 11.139 -4.574 1.00 0.00 C ATOM 1669 CD GLN A 125 30.220 12.296 -4.209 1.00 0.00 C ATOM 1670 OE1 GLN A 125 30.663 13.439 -4.103 1.00 0.00 O ATOM 1671 NE2 GLN A 125 28.939 12.003 -4.017 1.00 0.00 N ATOM 0 H GLN A 125 31.457 8.455 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 125 32.606 8.999 -4.590 1.00 0.00 H new ATOM 0 HB2 GLN A 125 31.477 10.829 -2.487 1.00 0.00 H new ATOM 0 HB3 GLN A 125 32.885 11.374 -3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.750 11.424 -5.424 1.00 0.00 H new ATOM 0 HG3 GLN A 125 30.522 10.292 -4.893 1.00 0.00 H new ATOM 0 HE21 GLN A 125 28.616 11.041 -4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 125 28.279 12.740 -3.771 1.00 0.00 H new ATOM 1680 N ILE A 126 34.893 9.636 -3.556 1.00 0.00 N ATOM 1681 CA ILE A 126 36.258 9.575 -3.049 1.00 0.00 C ATOM 1682 C ILE A 126 36.595 10.817 -2.232 1.00 0.00 C ATOM 1683 O ILE A 126 37.258 11.732 -2.719 1.00 0.00 O ATOM 1684 CB ILE A 126 37.275 9.438 -4.195 1.00 0.00 C ATOM 1685 CG1 ILE A 126 36.944 8.216 -5.053 1.00 0.00 C ATOM 1686 CG2 ILE A 126 38.689 9.340 -3.641 1.00 0.00 C ATOM 1687 CD1 ILE A 126 37.268 6.899 -4.383 1.00 0.00 C ATOM 0 H ILE A 126 34.800 10.099 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 126 36.320 8.694 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 126 37.216 10.326 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 126 35.883 8.235 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 126 37.495 8.282 -5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 126 39.397 9.244 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 126 38.919 10.239 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 126 38.766 8.467 -2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 126 37.007 6.077 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 126 38.334 6.858 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 126 36.697 6.811 -3.459 1.00 0.00 H new