USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 459 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 56 SER OG : rot 66:sc= 1.23 USER MOD Set 1.2: A 60 HIS : no HE2:sc= -2.63 K(o=-1.4,f=-2.6!) USER MOD Set 2.1: A 47 ASN : amide:sc= 1.5 K(o=2.4,f=-4.1!) USER MOD Set 2.2: A 49 THR OG1 : rot -168:sc= 0.873 USER MOD Set 3.1: A 3 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0.513) USER MOD Set 3.2: A 29 TYR OH : rot 172:sc= 1.74 USER MOD Set 4.1: A 2 THR OG1 : rot -130:sc= 1.55 USER MOD Set 4.2: A 5 GLN : amide:sc= 0.735 K(o=2.3,f=-4.1!) USER MOD Single : A 1 LEU N :NH3+ -105:sc= -0.078 (180deg=-1.41) USER MOD Single : A 9 SER OG : rot 64:sc= 1.16 USER MOD Single : A 10 HIS : no HE2:sc= 0.371 K(o=0.37,f=-2.7!) USER MOD Single : A 15 HIS : no HE2:sc= 0.723 K(o=0.72,f=-4.3!) USER MOD Single : A 18 SER OG : rot -36:sc= 1.22 USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 0.964 (180deg=0.883) USER MOD Single : A 26 ASN : amide:sc= 0.936 K(o=0.94,f=0) USER MOD Single : A 28 ASN : amide:sc= 1.09 K(o=1.1,f=-1.9) USER MOD Single : A 33 GLN : amide:sc= 3.06 K(o=3.1,f=-6.5!) USER MOD Single : A 35 TYR OH : rot 22:sc= 1.26 USER MOD Single : A 37 SER OG : rot 100:sc= 0.882 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -98:sc= 1.78 USER MOD Single : A 59 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0.019) USER MOD Single : A 61 ASN : amide:sc= 0.0264 K(o=0.026,f=-1.1) USER MOD Single : A 63 SER OG : rot 79:sc= 1.22 USER MOD Single : A 65 SER OG : rot 42:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.140 9.781 1.576 1.00 0.00 N ATOM 2 CA LEU A 1 13.913 9.164 1.081 1.00 0.00 C ATOM 3 C LEU A 1 12.891 8.979 2.221 1.00 0.00 C ATOM 4 O LEU A 1 13.253 9.045 3.397 1.00 0.00 O ATOM 5 CB LEU A 1 14.270 7.868 0.315 1.00 0.00 C ATOM 6 CG LEU A 1 14.512 6.588 1.144 1.00 0.00 C ATOM 7 CD1 LEU A 1 14.882 5.427 0.214 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.640 6.718 2.174 1.00 0.00 C ATOM 0 H1 LEU A 1 15.172 10.777 1.278 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.160 9.729 2.615 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.963 9.277 1.188 1.00 0.00 H new ATOM 0 HA LEU A 1 13.413 9.819 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.465 7.663 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 1 15.168 8.062 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 1 13.580 6.410 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.051 4.527 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 1 14.068 5.251 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 1 15.790 5.676 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.748 5.778 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.574 6.952 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 1 15.401 7.516 2.877 1.00 0.00 H new ATOM 20 N THR A 2 11.612 8.772 1.890 1.00 0.00 N ATOM 21 CA THR A 2 10.518 8.726 2.871 1.00 0.00 C ATOM 22 C THR A 2 10.360 7.354 3.533 1.00 0.00 C ATOM 23 O THR A 2 10.886 6.355 3.051 1.00 0.00 O ATOM 24 CB THR A 2 9.167 9.084 2.228 1.00 0.00 C ATOM 25 OG1 THR A 2 8.783 8.050 1.346 1.00 0.00 O ATOM 26 CG2 THR A 2 9.178 10.439 1.519 1.00 0.00 C ATOM 0 H THR A 2 11.303 8.631 0.928 1.00 0.00 H new ATOM 0 HA THR A 2 10.793 9.459 3.629 1.00 0.00 H new ATOM 0 HB THR A 2 8.434 9.178 3.029 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.532 8.435 0.480 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.196 10.632 1.087 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.419 11.223 2.237 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.927 10.429 0.727 1.00 0.00 H new ATOM 34 N LYS A 3 9.527 7.272 4.583 1.00 0.00 N ATOM 35 CA LYS A 3 9.104 6.016 5.220 1.00 0.00 C ATOM 36 C LYS A 3 8.525 5.005 4.213 1.00 0.00 C ATOM 37 O LYS A 3 8.852 3.821 4.277 1.00 0.00 O ATOM 38 CB LYS A 3 8.124 6.358 6.354 1.00 0.00 C ATOM 39 CG LYS A 3 7.843 5.171 7.290 1.00 0.00 C ATOM 40 CD LYS A 3 7.044 5.586 8.540 1.00 0.00 C ATOM 41 CE LYS A 3 5.713 6.290 8.244 1.00 0.00 C ATOM 42 NZ LYS A 3 4.723 5.388 7.629 1.00 0.00 N ATOM 0 H LYS A 3 9.120 8.097 5.022 1.00 0.00 H new ATOM 0 HA LYS A 3 9.975 5.512 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.528 7.185 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.184 6.702 5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.290 4.406 6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.788 4.723 7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.844 4.697 9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.662 6.247 9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.305 6.694 9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.892 7.135 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.917 5.944 7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.163 4.879 6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.390 4.703 8.337 1.00 0.00 H new ATOM 56 N CYS A 4 7.747 5.484 3.232 1.00 0.00 N ATOM 57 CA CYS A 4 7.279 4.682 2.102 1.00 0.00 C ATOM 58 C CYS A 4 8.463 4.160 1.282 1.00 0.00 C ATOM 59 O CYS A 4 8.646 2.950 1.150 1.00 0.00 O ATOM 60 CB CYS A 4 6.315 5.500 1.228 1.00 0.00 C ATOM 61 SG CYS A 4 5.417 4.508 0.006 1.00 0.00 S ATOM 0 H CYS A 4 7.423 6.451 3.204 1.00 0.00 H new ATOM 0 HA CYS A 4 6.736 3.819 2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.595 6.005 1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.879 6.276 0.710 1.00 0.00 H new ATOM 66 N GLN A 5 9.284 5.074 0.756 1.00 0.00 N ATOM 67 CA GLN A 5 10.417 4.743 -0.105 1.00 0.00 C ATOM 68 C GLN A 5 11.443 3.835 0.592 1.00 0.00 C ATOM 69 O GLN A 5 11.994 2.956 -0.064 1.00 0.00 O ATOM 70 CB GLN A 5 11.073 6.042 -0.586 1.00 0.00 C ATOM 71 CG GLN A 5 10.179 6.860 -1.531 1.00 0.00 C ATOM 72 CD GLN A 5 10.798 8.222 -1.833 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.194 8.957 -0.940 1.00 0.00 O ATOM 74 NE2 GLN A 5 10.891 8.616 -3.087 1.00 0.00 N ATOM 0 H GLN A 5 9.177 6.075 0.920 1.00 0.00 H new ATOM 0 HA GLN A 5 10.043 4.177 -0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.330 6.653 0.279 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.006 5.803 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.030 6.311 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.196 6.996 -1.080 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.563 8.009 -3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.291 9.528 -3.307 1.00 0.00 H new ATOM 83 N GLU A 6 11.662 3.991 1.904 1.00 0.00 N ATOM 84 CA GLU A 6 12.456 3.099 2.751 1.00 0.00 C ATOM 85 C GLU A 6 11.870 1.692 2.753 1.00 0.00 C ATOM 86 O GLU A 6 12.552 0.760 2.347 1.00 0.00 O ATOM 87 CB GLU A 6 12.499 3.617 4.197 1.00 0.00 C ATOM 88 CG GLU A 6 13.454 4.801 4.394 1.00 0.00 C ATOM 89 CD GLU A 6 13.402 5.326 5.829 1.00 0.00 C ATOM 90 OE1 GLU A 6 12.392 5.983 6.165 1.00 0.00 O ATOM 91 OE2 GLU A 6 14.369 5.054 6.574 1.00 0.00 O ATOM 0 H GLU A 6 11.273 4.777 2.424 1.00 0.00 H new ATOM 0 HA GLU A 6 13.466 3.073 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.495 3.916 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.800 2.804 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.472 4.493 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.191 5.601 3.702 1.00 0.00 H new ATOM 98 N GLU A 7 10.610 1.532 3.179 1.00 0.00 N ATOM 99 CA GLU A 7 9.958 0.218 3.226 1.00 0.00 C ATOM 100 C GLU A 7 9.992 -0.476 1.861 1.00 0.00 C ATOM 101 O GLU A 7 10.340 -1.650 1.776 1.00 0.00 O ATOM 102 CB GLU A 7 8.507 0.347 3.706 1.00 0.00 C ATOM 103 CG GLU A 7 8.392 0.598 5.215 1.00 0.00 C ATOM 104 CD GLU A 7 6.928 0.647 5.663 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.144 1.390 5.025 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.606 -0.062 6.640 1.00 0.00 O ATOM 0 H GLU A 7 10.020 2.301 3.497 1.00 0.00 H new ATOM 0 HA GLU A 7 10.515 -0.394 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.025 1.164 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.965 -0.564 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.914 -0.190 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.883 1.538 5.468 1.00 0.00 H new ATOM 113 N VAL A 8 9.682 0.256 0.790 1.00 0.00 N ATOM 114 CA VAL A 8 9.691 -0.254 -0.588 1.00 0.00 C ATOM 115 C VAL A 8 11.114 -0.588 -1.074 1.00 0.00 C ATOM 116 O VAL A 8 11.302 -1.505 -1.873 1.00 0.00 O ATOM 117 CB VAL A 8 8.978 0.759 -1.502 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.939 0.358 -2.980 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.505 0.880 -1.081 1.00 0.00 C ATOM 0 H VAL A 8 9.412 1.238 0.854 1.00 0.00 H new ATOM 0 HA VAL A 8 9.147 -1.198 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 8 9.549 1.681 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.419 1.127 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.957 0.252 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.413 -0.591 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.999 1.597 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.020 -0.092 -1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.449 1.221 -0.047 1.00 0.00 H new ATOM 129 N SER A 9 12.122 0.111 -0.546 1.00 0.00 N ATOM 130 CA SER A 9 13.558 -0.189 -0.713 1.00 0.00 C ATOM 131 C SER A 9 14.097 -1.259 0.255 1.00 0.00 C ATOM 132 O SER A 9 15.304 -1.510 0.264 1.00 0.00 O ATOM 133 CB SER A 9 14.411 1.078 -0.544 1.00 0.00 C ATOM 134 OG SER A 9 13.956 2.119 -1.377 1.00 0.00 O ATOM 0 H SER A 9 11.960 0.935 0.033 1.00 0.00 H new ATOM 0 HA SER A 9 13.638 -0.585 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.381 1.403 0.496 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.451 0.852 -0.777 1.00 0.00 H new ATOM 0 HG SER A 9 13.051 2.382 -1.108 1.00 0.00 H new ATOM 140 N HIS A 10 13.259 -1.868 1.104 1.00 0.00 N ATOM 141 CA HIS A 10 13.665 -2.890 2.084 1.00 0.00 C ATOM 142 C HIS A 10 12.871 -4.192 1.918 1.00 0.00 C ATOM 143 O HIS A 10 13.424 -5.273 2.105 1.00 0.00 O ATOM 144 CB HIS A 10 13.564 -2.320 3.508 1.00 0.00 C ATOM 145 CG HIS A 10 14.474 -1.142 3.787 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.505 -0.689 2.988 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.379 -0.291 4.854 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.010 0.415 3.564 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.361 0.694 4.705 1.00 0.00 N ATOM 0 H HIS A 10 12.260 -1.662 1.131 1.00 0.00 H new ATOM 0 HA HIS A 10 14.707 -3.152 1.899 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.533 -2.016 3.690 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.792 -3.114 4.219 1.00 0.00 H new ATOM 0 HD1 HIS A 10 15.825 -1.115 2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.672 -0.366 5.667 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.826 0.998 3.164 1.00 0.00 H new ATOM 157 N ILE A 11 11.600 -4.095 1.521 1.00 0.00 N ATOM 158 CA ILE A 11 10.749 -5.195 1.074 1.00 0.00 C ATOM 159 C ILE A 11 10.899 -5.213 -0.457 1.00 0.00 C ATOM 160 O ILE A 11 10.353 -4.322 -1.112 1.00 0.00 O ATOM 161 CB ILE A 11 9.279 -4.979 1.517 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.187 -4.875 3.059 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.404 -6.133 0.989 1.00 0.00 C ATOM 164 CD1 ILE A 11 7.787 -4.534 3.580 1.00 0.00 C ATOM 0 H ILE A 11 11.113 -3.199 1.503 1.00 0.00 H new ATOM 0 HA ILE A 11 11.040 -6.150 1.512 1.00 0.00 H new ATOM 0 HB ILE A 11 8.913 -4.042 1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.505 -5.822 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.887 -4.114 3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.371 -5.979 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.454 -6.159 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.768 -7.079 1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.807 -4.480 4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.472 -3.573 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.085 -5.307 3.268 1.00 0.00 H new ATOM 176 N PRO A 12 11.680 -6.138 -1.049 1.00 0.00 N ATOM 177 CA PRO A 12 11.956 -6.132 -2.485 1.00 0.00 C ATOM 178 C PRO A 12 10.718 -6.537 -3.297 1.00 0.00 C ATOM 179 O PRO A 12 9.777 -7.114 -2.758 1.00 0.00 O ATOM 180 CB PRO A 12 13.103 -7.133 -2.667 1.00 0.00 C ATOM 181 CG PRO A 12 12.854 -8.147 -1.552 1.00 0.00 C ATOM 182 CD PRO A 12 12.337 -7.272 -0.411 1.00 0.00 C ATOM 0 HA PRO A 12 12.223 -5.139 -2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.078 -7.601 -3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.077 -6.654 -2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.124 -8.901 -1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.766 -8.676 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.640 -7.823 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.154 -6.941 0.230 1.00 0.00 H new ATOM 190 N ALA A 13 10.749 -6.304 -4.615 1.00 0.00 N ATOM 191 CA ALA A 13 9.630 -6.584 -5.520 1.00 0.00 C ATOM 192 C ALA A 13 9.128 -8.041 -5.460 1.00 0.00 C ATOM 193 O ALA A 13 7.938 -8.291 -5.649 1.00 0.00 O ATOM 194 CB ALA A 13 10.044 -6.196 -6.942 1.00 0.00 C ATOM 0 H ALA A 13 11.563 -5.911 -5.088 1.00 0.00 H new ATOM 0 HA ALA A 13 8.781 -5.984 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.222 -6.398 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.289 -5.134 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.916 -6.779 -7.239 1.00 0.00 H new ATOM 200 N VAL A 14 10.004 -9.001 -5.133 1.00 0.00 N ATOM 201 CA VAL A 14 9.639 -10.392 -4.823 1.00 0.00 C ATOM 202 C VAL A 14 9.065 -10.461 -3.394 1.00 0.00 C ATOM 203 O VAL A 14 9.628 -11.089 -2.500 1.00 0.00 O ATOM 204 CB VAL A 14 10.827 -11.359 -5.049 1.00 0.00 C ATOM 205 CG1 VAL A 14 10.362 -12.824 -5.020 1.00 0.00 C ATOM 206 CG2 VAL A 14 11.499 -11.136 -6.416 1.00 0.00 C ATOM 0 H VAL A 14 11.008 -8.829 -5.075 1.00 0.00 H new ATOM 0 HA VAL A 14 8.863 -10.726 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 14 11.532 -11.154 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.217 -13.480 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.913 -13.044 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.625 -12.988 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.327 -11.835 -6.533 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.771 -11.300 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.876 -10.115 -6.474 1.00 0.00 H new ATOM 216 N HIS A 15 7.929 -9.788 -3.182 1.00 0.00 N ATOM 217 CA HIS A 15 7.229 -9.695 -1.899 1.00 0.00 C ATOM 218 C HIS A 15 6.098 -10.713 -1.595 1.00 0.00 C ATOM 219 O HIS A 15 5.615 -10.643 -0.457 1.00 0.00 O ATOM 220 CB HIS A 15 6.710 -8.261 -1.725 1.00 0.00 C ATOM 221 CG HIS A 15 5.430 -7.937 -2.454 1.00 0.00 C ATOM 222 ND1 HIS A 15 4.169 -7.979 -1.903 1.00 0.00 N ATOM 223 CD2 HIS A 15 5.320 -7.389 -3.704 1.00 0.00 C ATOM 224 CE1 HIS A 15 3.320 -7.457 -2.803 1.00 0.00 C ATOM 225 NE2 HIS A 15 3.970 -7.097 -3.918 1.00 0.00 N ATOM 0 H HIS A 15 7.456 -9.275 -3.926 1.00 0.00 H new ATOM 0 HA HIS A 15 7.989 -9.972 -1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.558 -8.075 -0.662 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.483 -7.571 -2.062 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.925 -8.340 -0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.129 -7.214 -4.398 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.257 -7.343 -2.649 1.00 0.00 H new ATOM 233 N PRO A 16 5.632 -11.622 -2.497 1.00 0.00 N ATOM 234 CA PRO A 16 4.534 -12.558 -2.219 1.00 0.00 C ATOM 235 C PRO A 16 4.570 -13.218 -0.836 1.00 0.00 C ATOM 236 O PRO A 16 5.577 -13.785 -0.419 1.00 0.00 O ATOM 237 CB PRO A 16 4.566 -13.595 -3.342 1.00 0.00 C ATOM 238 CG PRO A 16 5.016 -12.753 -4.528 1.00 0.00 C ATOM 239 CD PRO A 16 6.022 -11.796 -3.895 1.00 0.00 C ATOM 0 HA PRO A 16 3.598 -12.000 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.261 -14.407 -3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.589 -14.048 -3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.472 -13.363 -5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.183 -12.220 -4.986 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.033 -12.198 -3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.023 -10.839 -4.416 1.00 0.00 H new ATOM 247 N GLY A 17 3.449 -13.099 -0.120 1.00 0.00 N ATOM 248 CA GLY A 17 3.287 -13.446 1.291 1.00 0.00 C ATOM 249 C GLY A 17 3.306 -12.214 2.201 1.00 0.00 C ATOM 250 O GLY A 17 2.698 -12.241 3.270 1.00 0.00 O ATOM 0 H GLY A 17 2.587 -12.740 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.346 -13.979 1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.084 -14.127 1.589 1.00 0.00 H new ATOM 254 N SER A 18 3.919 -11.106 1.764 1.00 0.00 N ATOM 255 CA SER A 18 4.107 -9.872 2.537 1.00 0.00 C ATOM 256 C SER A 18 3.513 -8.634 1.849 1.00 0.00 C ATOM 257 O SER A 18 3.299 -8.617 0.633 1.00 0.00 O ATOM 258 CB SER A 18 5.603 -9.677 2.814 1.00 0.00 C ATOM 259 OG SER A 18 6.306 -9.308 1.644 1.00 0.00 O ATOM 0 H SER A 18 4.313 -11.043 0.825 1.00 0.00 H new ATOM 0 HA SER A 18 3.563 -9.982 3.475 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.735 -8.909 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.022 -10.600 3.215 1.00 0.00 H new ATOM 0 HG SER A 18 5.920 -9.771 0.871 1.00 0.00 H new ATOM 265 N PHE A 19 3.257 -7.581 2.633 1.00 0.00 N ATOM 266 CA PHE A 19 2.776 -6.290 2.146 1.00 0.00 C ATOM 267 C PHE A 19 3.943 -5.373 1.751 1.00 0.00 C ATOM 268 O PHE A 19 4.630 -4.833 2.617 1.00 0.00 O ATOM 269 CB PHE A 19 1.894 -5.612 3.208 1.00 0.00 C ATOM 270 CG PHE A 19 1.573 -4.156 2.900 1.00 0.00 C ATOM 271 CD1 PHE A 19 1.028 -3.797 1.652 1.00 0.00 C ATOM 272 CD2 PHE A 19 1.895 -3.148 3.830 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.826 -2.444 1.330 1.00 0.00 C ATOM 274 CE2 PHE A 19 1.681 -1.795 3.513 1.00 0.00 C ATOM 275 CZ PHE A 19 1.154 -1.442 2.259 1.00 0.00 C ATOM 0 H PHE A 19 3.382 -7.606 3.645 1.00 0.00 H new ATOM 0 HA PHE A 19 2.176 -6.470 1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.961 -6.168 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.396 -5.667 4.174 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.764 -4.565 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.308 -3.416 4.791 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.418 -2.174 0.367 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.922 -1.027 4.233 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.001 -0.402 2.010 1.00 0.00 H new ATOM 285 N ARG A 20 4.151 -5.188 0.443 1.00 0.00 N ATOM 286 CA ARG A 20 5.048 -4.169 -0.105 1.00 0.00 C ATOM 287 C ARG A 20 4.228 -2.894 -0.369 1.00 0.00 C ATOM 288 O ARG A 20 3.274 -2.967 -1.147 1.00 0.00 O ATOM 289 CB ARG A 20 5.702 -4.696 -1.388 1.00 0.00 C ATOM 290 CG ARG A 20 6.802 -3.752 -1.880 1.00 0.00 C ATOM 291 CD ARG A 20 7.517 -4.320 -3.108 1.00 0.00 C ATOM 292 NE ARG A 20 8.811 -3.649 -3.292 1.00 0.00 N ATOM 293 CZ ARG A 20 9.309 -3.079 -4.377 1.00 0.00 C ATOM 294 NH1 ARG A 20 8.665 -3.079 -5.519 1.00 0.00 N ATOM 295 NH2 ARG A 20 10.473 -2.481 -4.308 1.00 0.00 N ATOM 0 H ARG A 20 3.693 -5.751 -0.274 1.00 0.00 H new ATOM 0 HA ARG A 20 5.847 -3.935 0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.123 -5.684 -1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.945 -4.811 -2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.369 -2.782 -2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.525 -3.585 -1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.668 -5.393 -2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.898 -4.184 -3.995 1.00 0.00 H new ATOM 0 HE ARG A 20 9.410 -3.618 -2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.752 -3.528 -5.589 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.077 -2.630 -6.337 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.984 -2.459 -3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.868 -2.038 -5.137 1.00 0.00 H new ATOM 309 N PRO A 21 4.529 -1.750 0.277 1.00 0.00 N ATOM 310 CA PRO A 21 3.848 -0.488 -0.008 1.00 0.00 C ATOM 311 C PRO A 21 4.037 0.014 -1.449 1.00 0.00 C ATOM 312 O PRO A 21 4.816 -0.527 -2.233 1.00 0.00 O ATOM 313 CB PRO A 21 4.388 0.530 1.003 1.00 0.00 C ATOM 314 CG PRO A 21 5.008 -0.322 2.106 1.00 0.00 C ATOM 315 CD PRO A 21 5.471 -1.578 1.373 1.00 0.00 C ATOM 0 HA PRO A 21 2.772 -0.634 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.127 1.189 0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.592 1.165 1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.840 0.190 2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.284 -0.557 2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.490 -1.464 1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.467 -2.444 2.035 1.00 0.00 H new ATOM 323 N LYS A 22 3.339 1.106 -1.772 1.00 0.00 N ATOM 324 CA LYS A 22 3.416 1.840 -3.036 1.00 0.00 C ATOM 325 C LYS A 22 3.494 3.346 -2.762 1.00 0.00 C ATOM 326 O LYS A 22 2.804 3.846 -1.872 1.00 0.00 O ATOM 327 CB LYS A 22 2.198 1.517 -3.924 1.00 0.00 C ATOM 328 CG LYS A 22 1.973 0.030 -4.247 1.00 0.00 C ATOM 329 CD LYS A 22 1.020 -0.674 -3.264 1.00 0.00 C ATOM 330 CE LYS A 22 0.701 -2.093 -3.737 1.00 0.00 C ATOM 331 NZ LYS A 22 1.887 -2.969 -3.681 1.00 0.00 N ATOM 0 H LYS A 22 2.670 1.523 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 22 4.317 1.531 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.304 1.901 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.304 2.060 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.571 -0.058 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.934 -0.485 -4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.474 -0.710 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.097 -0.101 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.091 -2.513 -3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.322 -2.059 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.601 -3.952 -3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.574 -2.670 -4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.323 -2.903 -2.739 1.00 0.00 H new ATOM 345 N CYS A 23 4.281 4.077 -3.553 1.00 0.00 N ATOM 346 CA CYS A 23 4.530 5.518 -3.422 1.00 0.00 C ATOM 347 C CYS A 23 4.504 6.174 -4.807 1.00 0.00 C ATOM 348 O CYS A 23 4.741 5.504 -5.813 1.00 0.00 O ATOM 349 CB CYS A 23 5.920 5.750 -2.776 1.00 0.00 C ATOM 350 SG CYS A 23 6.597 4.485 -1.652 1.00 0.00 S ATOM 0 H CYS A 23 4.786 3.665 -4.338 1.00 0.00 H new ATOM 0 HA CYS A 23 3.756 5.958 -2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.638 5.890 -3.584 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.873 6.689 -2.224 1.00 0.00 H new ATOM 355 N ASP A 24 4.255 7.486 -4.861 1.00 0.00 N ATOM 356 CA ASP A 24 4.373 8.276 -6.086 1.00 0.00 C ATOM 357 C ASP A 24 5.665 9.113 -6.144 1.00 0.00 C ATOM 358 O ASP A 24 6.507 9.042 -5.253 1.00 0.00 O ATOM 359 CB ASP A 24 3.090 9.079 -6.369 1.00 0.00 C ATOM 360 CG ASP A 24 2.814 10.204 -5.382 1.00 0.00 C ATOM 361 OD1 ASP A 24 3.569 11.203 -5.441 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.825 10.065 -4.628 1.00 0.00 O ATOM 0 H ASP A 24 3.964 8.031 -4.050 1.00 0.00 H new ATOM 0 HA ASP A 24 4.474 7.572 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.156 9.501 -7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.241 8.395 -6.366 1.00 0.00 H new ATOM 367 N GLU A 25 5.826 9.908 -7.210 1.00 0.00 N ATOM 368 CA GLU A 25 7.030 10.691 -7.515 1.00 0.00 C ATOM 369 C GLU A 25 7.420 11.679 -6.408 1.00 0.00 C ATOM 370 O GLU A 25 8.590 12.034 -6.307 1.00 0.00 O ATOM 371 CB GLU A 25 6.799 11.423 -8.852 1.00 0.00 C ATOM 372 CG GLU A 25 7.932 12.357 -9.318 1.00 0.00 C ATOM 373 CD GLU A 25 9.301 11.678 -9.474 1.00 0.00 C ATOM 374 OE1 GLU A 25 9.321 10.443 -9.683 1.00 0.00 O ATOM 375 OE2 GLU A 25 10.308 12.415 -9.418 1.00 0.00 O ATOM 0 H GLU A 25 5.094 10.028 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 25 7.872 10.002 -7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.630 10.676 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.884 12.009 -8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.650 12.799 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.027 13.175 -8.604 1.00 0.00 H new ATOM 382 N ASN A 26 6.473 12.088 -5.555 1.00 0.00 N ATOM 383 CA ASN A 26 6.762 12.979 -4.427 1.00 0.00 C ATOM 384 C ASN A 26 7.254 12.200 -3.189 1.00 0.00 C ATOM 385 O ASN A 26 7.548 12.800 -2.157 1.00 0.00 O ATOM 386 CB ASN A 26 5.524 13.829 -4.110 1.00 0.00 C ATOM 387 CG ASN A 26 4.941 14.537 -5.324 1.00 0.00 C ATOM 388 OD1 ASN A 26 5.374 15.607 -5.716 1.00 0.00 O ATOM 389 ND2 ASN A 26 3.935 13.958 -5.949 1.00 0.00 N ATOM 0 H ASN A 26 5.493 11.813 -5.627 1.00 0.00 H new ATOM 0 HA ASN A 26 7.577 13.644 -4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.758 13.190 -3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.788 14.573 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.516 14.405 -6.764 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.576 13.063 -5.617 1.00 0.00 H new ATOM 396 N GLY A 27 7.332 10.866 -3.278 1.00 0.00 N ATOM 397 CA GLY A 27 7.801 9.965 -2.231 1.00 0.00 C ATOM 398 C GLY A 27 6.758 9.636 -1.163 1.00 0.00 C ATOM 399 O GLY A 27 7.064 8.861 -0.257 1.00 0.00 O ATOM 0 H GLY A 27 7.056 10.368 -4.124 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.136 9.036 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.670 10.412 -1.747 1.00 0.00 H new ATOM 403 N ASN A 28 5.541 10.182 -1.238 1.00 0.00 N ATOM 404 CA ASN A 28 4.491 9.867 -0.267 1.00 0.00 C ATOM 405 C ASN A 28 3.885 8.502 -0.594 1.00 0.00 C ATOM 406 O ASN A 28 3.962 8.059 -1.743 1.00 0.00 O ATOM 407 CB ASN A 28 3.413 10.962 -0.269 1.00 0.00 C ATOM 408 CG ASN A 28 2.729 11.103 -1.617 1.00 0.00 C ATOM 409 OD1 ASN A 28 3.197 11.830 -2.472 1.00 0.00 O ATOM 410 ND2 ASN A 28 1.647 10.400 -1.878 1.00 0.00 N ATOM 0 H ASN A 28 5.259 10.844 -1.961 1.00 0.00 H new ATOM 0 HA ASN A 28 4.924 9.827 0.732 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.666 10.733 0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.867 11.914 0.006 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.204 10.466 -2.795 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.251 9.789 -1.164 1.00 0.00 H new ATOM 417 N TYR A 29 3.212 7.882 0.381 1.00 0.00 N ATOM 418 CA TYR A 29 2.414 6.688 0.112 1.00 0.00 C ATOM 419 C TYR A 29 1.353 7.031 -0.934 1.00 0.00 C ATOM 420 O TYR A 29 0.662 8.047 -0.805 1.00 0.00 O ATOM 421 CB TYR A 29 1.764 6.147 1.391 1.00 0.00 C ATOM 422 CG TYR A 29 2.733 5.526 2.379 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.443 6.347 3.273 1.00 0.00 C ATOM 424 CD2 TYR A 29 2.918 4.128 2.415 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.329 5.783 4.205 1.00 0.00 C ATOM 426 CE2 TYR A 29 3.812 3.556 3.342 1.00 0.00 C ATOM 427 CZ TYR A 29 4.516 4.388 4.240 1.00 0.00 C ATOM 428 OH TYR A 29 5.394 3.870 5.135 1.00 0.00 O ATOM 0 H TYR A 29 3.205 8.186 1.355 1.00 0.00 H new ATOM 0 HA TYR A 29 3.066 5.902 -0.269 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.234 6.961 1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.018 5.401 1.116 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.306 7.418 3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.373 3.495 1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.866 6.418 4.894 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.958 2.486 3.366 1.00 0.00 H new ATOM 0 HH TYR A 29 5.324 2.893 5.134 1.00 0.00 H new ATOM 438 N LEU A 30 1.247 6.203 -1.979 1.00 0.00 N ATOM 439 CA LEU A 30 0.162 6.303 -2.949 1.00 0.00 C ATOM 440 C LEU A 30 -1.175 6.165 -2.186 1.00 0.00 C ATOM 441 O LEU A 30 -1.240 5.361 -1.252 1.00 0.00 O ATOM 442 CB LEU A 30 0.311 5.219 -4.037 1.00 0.00 C ATOM 443 CG LEU A 30 0.971 5.720 -5.334 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.418 4.532 -6.189 1.00 0.00 C ATOM 445 CD2 LEU A 30 0.035 6.593 -6.175 1.00 0.00 C ATOM 0 H LEU A 30 1.909 5.451 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 30 0.190 7.267 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.901 4.395 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.675 4.819 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 30 1.824 6.327 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.884 4.897 -7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.137 3.932 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.553 3.920 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.553 6.918 -7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.849 6.018 -6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.267 7.466 -5.596 1.00 0.00 H new ATOM 457 N PRO A 31 -2.250 6.888 -2.553 1.00 0.00 N ATOM 458 CA PRO A 31 -3.460 6.952 -1.731 1.00 0.00 C ATOM 459 C PRO A 31 -4.210 5.614 -1.636 1.00 0.00 C ATOM 460 O PRO A 31 -5.000 5.446 -0.714 1.00 0.00 O ATOM 461 CB PRO A 31 -4.303 8.076 -2.342 1.00 0.00 C ATOM 462 CG PRO A 31 -3.881 8.071 -3.808 1.00 0.00 C ATOM 463 CD PRO A 31 -2.392 7.737 -3.724 1.00 0.00 C ATOM 0 HA PRO A 31 -3.214 7.161 -0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.370 7.885 -2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.099 9.036 -1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.431 7.328 -4.386 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.054 9.037 -4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.054 7.224 -4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.792 8.642 -3.628 1.00 0.00 H new ATOM 471 N LEU A 32 -3.939 4.658 -2.536 1.00 0.00 N ATOM 472 CA LEU A 32 -4.372 3.259 -2.485 1.00 0.00 C ATOM 473 C LEU A 32 -3.159 2.382 -2.136 1.00 0.00 C ATOM 474 O LEU A 32 -2.083 2.561 -2.709 1.00 0.00 O ATOM 475 CB LEU A 32 -4.947 2.864 -3.863 1.00 0.00 C ATOM 476 CG LEU A 32 -5.464 1.410 -3.959 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.830 1.213 -3.310 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.581 0.985 -5.426 1.00 0.00 C ATOM 0 H LEU A 32 -3.379 4.854 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.143 3.120 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.765 3.542 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.175 3.011 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.736 0.801 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.135 0.171 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.771 1.472 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.562 1.855 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.946 -0.041 -5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.278 1.646 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.602 1.047 -5.902 1.00 0.00 H new ATOM 490 N GLN A 33 -3.349 1.397 -1.253 1.00 0.00 N ATOM 491 CA GLN A 33 -2.379 0.339 -0.964 1.00 0.00 C ATOM 492 C GLN A 33 -3.066 -1.028 -1.079 1.00 0.00 C ATOM 493 O GLN A 33 -4.264 -1.147 -0.813 1.00 0.00 O ATOM 494 CB GLN A 33 -1.796 0.519 0.446 1.00 0.00 C ATOM 495 CG GLN A 33 -1.088 1.859 0.697 1.00 0.00 C ATOM 496 CD GLN A 33 0.208 2.066 -0.080 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.126 1.260 -0.034 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.370 3.183 -0.756 1.00 0.00 N ATOM 0 H GLN A 33 -4.205 1.312 -0.705 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.563 0.396 -1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.603 0.411 1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.088 -0.288 0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.775 2.667 0.447 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.871 1.943 1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.387 3.865 -0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.253 3.367 -1.233 1.00 0.00 H new ATOM 507 N CYS A 34 -2.307 -2.064 -1.451 1.00 0.00 N ATOM 508 CA CYS A 34 -2.817 -3.420 -1.653 1.00 0.00 C ATOM 509 C CYS A 34 -1.839 -4.482 -1.141 1.00 0.00 C ATOM 510 O CYS A 34 -0.625 -4.291 -1.170 1.00 0.00 O ATOM 511 CB CYS A 34 -3.100 -3.648 -3.145 1.00 0.00 C ATOM 512 SG CYS A 34 -4.439 -2.678 -3.891 1.00 0.00 S ATOM 0 H CYS A 34 -1.305 -1.980 -1.622 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.739 -3.518 -1.080 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.184 -3.441 -3.698 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.327 -4.704 -3.288 1.00 0.00 H new ATOM 517 N TYR A 35 -2.388 -5.630 -0.741 1.00 0.00 N ATOM 518 CA TYR A 35 -1.684 -6.813 -0.252 1.00 0.00 C ATOM 519 C TYR A 35 -2.258 -8.039 -0.982 1.00 0.00 C ATOM 520 O TYR A 35 -3.100 -8.778 -0.467 1.00 0.00 O ATOM 521 CB TYR A 35 -1.803 -6.855 1.281 1.00 0.00 C ATOM 522 CG TYR A 35 -1.028 -7.909 2.061 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.164 -8.845 1.450 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.193 -7.937 3.460 1.00 0.00 C ATOM 525 CE1 TYR A 35 0.502 -9.809 2.232 1.00 0.00 C ATOM 526 CE2 TYR A 35 -0.520 -8.889 4.244 1.00 0.00 C ATOM 527 CZ TYR A 35 0.329 -9.834 3.634 1.00 0.00 C ATOM 528 OH TYR A 35 0.981 -10.739 4.415 1.00 0.00 O ATOM 0 H TYR A 35 -3.399 -5.765 -0.751 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.615 -6.796 -0.467 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.500 -5.879 1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.858 -6.978 1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.014 -8.821 0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.844 -7.218 3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.148 -10.533 1.757 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.654 -8.897 5.316 1.00 0.00 H new ATOM 0 HH TYR A 35 1.772 -11.070 3.941 1.00 0.00 H new ATOM 538 N GLY A 36 -1.812 -8.222 -2.231 1.00 0.00 N ATOM 539 CA GLY A 36 -2.369 -9.201 -3.171 1.00 0.00 C ATOM 540 C GLY A 36 -2.399 -10.637 -2.642 1.00 0.00 C ATOM 541 O GLY A 36 -3.355 -11.356 -2.909 1.00 0.00 O ATOM 0 H GLY A 36 -1.040 -7.684 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.384 -8.901 -3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.784 -9.177 -4.091 1.00 0.00 H new ATOM 545 N SER A 37 -1.402 -11.041 -1.845 1.00 0.00 N ATOM 546 CA SER A 37 -1.290 -12.392 -1.277 1.00 0.00 C ATOM 547 C SER A 37 -2.415 -12.786 -0.307 1.00 0.00 C ATOM 548 O SER A 37 -2.571 -13.974 -0.044 1.00 0.00 O ATOM 549 CB SER A 37 0.063 -12.559 -0.583 1.00 0.00 C ATOM 550 OG SER A 37 1.104 -12.178 -1.465 1.00 0.00 O ATOM 0 H SER A 37 -0.635 -10.427 -1.571 1.00 0.00 H new ATOM 0 HA SER A 37 -1.383 -13.067 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.097 -11.949 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.198 -13.595 -0.273 1.00 0.00 H new ATOM 0 HG SER A 37 1.399 -11.269 -1.249 1.00 0.00 H new ATOM 556 N ILE A 38 -3.211 -11.828 0.191 1.00 0.00 N ATOM 557 CA ILE A 38 -4.448 -12.077 0.939 1.00 0.00 C ATOM 558 C ILE A 38 -5.691 -11.579 0.179 1.00 0.00 C ATOM 559 O ILE A 38 -6.812 -11.717 0.672 1.00 0.00 O ATOM 560 CB ILE A 38 -4.356 -11.469 2.354 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.044 -9.959 2.342 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.343 -12.243 3.213 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.301 -9.268 3.688 1.00 0.00 C ATOM 0 H ILE A 38 -3.005 -10.835 0.081 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.564 -13.156 1.044 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.343 -11.570 2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.001 -9.814 2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.650 -9.477 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.293 -11.798 4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.657 -13.284 3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.359 -12.197 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.060 -8.208 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.350 -9.381 3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.676 -9.723 4.456 1.00 0.00 H new ATOM 575 N GLY A 39 -5.516 -10.999 -1.016 1.00 0.00 N ATOM 576 CA GLY A 39 -6.585 -10.421 -1.819 1.00 0.00 C ATOM 577 C GLY A 39 -7.253 -9.257 -1.098 1.00 0.00 C ATOM 578 O GLY A 39 -8.452 -9.316 -0.850 1.00 0.00 O ATOM 0 H GLY A 39 -4.599 -10.920 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.182 -10.078 -2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.328 -11.186 -2.044 1.00 0.00 H new ATOM 582 N TYR A 40 -6.483 -8.224 -0.737 1.00 0.00 N ATOM 583 CA TYR A 40 -7.007 -7.006 -0.102 1.00 0.00 C ATOM 584 C TYR A 40 -6.342 -5.719 -0.593 1.00 0.00 C ATOM 585 O TYR A 40 -5.165 -5.709 -0.958 1.00 0.00 O ATOM 586 CB TYR A 40 -6.791 -7.062 1.422 1.00 0.00 C ATOM 587 CG TYR A 40 -7.889 -7.721 2.226 1.00 0.00 C ATOM 588 CD1 TYR A 40 -8.976 -6.948 2.678 1.00 0.00 C ATOM 589 CD2 TYR A 40 -7.798 -9.081 2.573 1.00 0.00 C ATOM 590 CE1 TYR A 40 -9.962 -7.529 3.494 1.00 0.00 C ATOM 591 CE2 TYR A 40 -8.780 -9.669 3.391 1.00 0.00 C ATOM 592 CZ TYR A 40 -9.861 -8.889 3.856 1.00 0.00 C ATOM 593 OH TYR A 40 -10.834 -9.459 4.615 1.00 0.00 O ATOM 0 H TYR A 40 -5.473 -8.208 -0.877 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.063 -6.979 -0.370 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.858 -7.591 1.617 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.662 -6.043 1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -9.052 -5.908 2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.972 -9.675 2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.795 -6.936 3.843 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.707 -10.712 3.662 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.615 -10.401 4.775 1.00 0.00 H new ATOM 603 N CYS A 41 -7.097 -4.621 -0.481 1.00 0.00 N ATOM 604 CA CYS A 41 -6.646 -3.243 -0.626 1.00 0.00 C ATOM 605 C CYS A 41 -7.365 -2.342 0.386 1.00 0.00 C ATOM 606 O CYS A 41 -8.430 -2.685 0.908 1.00 0.00 O ATOM 607 CB CYS A 41 -6.877 -2.709 -2.043 1.00 0.00 C ATOM 608 SG CYS A 41 -6.158 -3.667 -3.400 1.00 0.00 S ATOM 0 H CYS A 41 -8.094 -4.679 -0.275 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.573 -3.232 -0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.952 -2.638 -2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.479 -1.696 -2.094 1.00 0.00 H new ATOM 613 N TRP A 42 -6.770 -1.181 0.640 1.00 0.00 N ATOM 614 CA TRP A 42 -7.315 -0.101 1.457 1.00 0.00 C ATOM 615 C TRP A 42 -6.780 1.238 0.940 1.00 0.00 C ATOM 616 O TRP A 42 -5.771 1.277 0.226 1.00 0.00 O ATOM 617 CB TRP A 42 -6.931 -0.327 2.924 1.00 0.00 C ATOM 618 CG TRP A 42 -5.461 -0.394 3.208 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.691 0.645 3.606 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.560 -1.540 3.084 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.396 0.206 3.805 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.259 -1.125 3.486 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.705 -2.887 2.681 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.162 -1.995 3.501 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.607 -3.770 2.676 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.338 -3.326 3.088 1.00 0.00 C ATOM 0 H TRP A 42 -5.849 -0.956 0.263 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.403 -0.086 1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.361 0.477 3.521 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.390 -1.256 3.262 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.035 1.659 3.746 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.636 0.795 4.146 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.675 -3.246 2.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.193 -1.647 3.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.741 -4.792 2.354 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.500 -4.007 3.087 1.00 0.00 H new ATOM 637 N CYS A 43 -7.416 2.348 1.321 1.00 0.00 N ATOM 638 CA CYS A 43 -6.830 3.663 1.069 1.00 0.00 C ATOM 639 C CYS A 43 -5.945 4.045 2.257 1.00 0.00 C ATOM 640 O CYS A 43 -6.223 3.652 3.392 1.00 0.00 O ATOM 641 CB CYS A 43 -7.899 4.743 0.860 1.00 0.00 C ATOM 642 SG CYS A 43 -9.066 4.486 -0.496 1.00 0.00 S ATOM 0 H CYS A 43 -8.319 2.363 1.796 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.244 3.602 0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.469 4.840 1.784 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.393 5.694 0.696 1.00 0.00 H new ATOM 647 N VAL A 44 -4.933 4.878 2.023 1.00 0.00 N ATOM 648 CA VAL A 44 -4.108 5.489 3.068 1.00 0.00 C ATOM 649 C VAL A 44 -3.992 6.993 2.847 1.00 0.00 C ATOM 650 O VAL A 44 -4.050 7.472 1.714 1.00 0.00 O ATOM 651 CB VAL A 44 -2.680 4.903 3.132 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.672 3.412 3.466 1.00 0.00 C ATOM 653 CG2 VAL A 44 -1.875 5.125 1.847 1.00 0.00 C ATOM 0 H VAL A 44 -4.656 5.154 1.081 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.612 5.270 4.009 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.199 5.455 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.644 3.052 3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.142 3.254 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.224 2.865 2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.882 4.689 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.387 4.650 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.782 6.194 1.656 1.00 0.00 H new ATOM 663 N PHE A 45 -3.787 7.738 3.930 1.00 0.00 N ATOM 664 CA PHE A 45 -3.371 9.134 3.843 1.00 0.00 C ATOM 665 C PHE A 45 -1.879 9.166 3.426 1.00 0.00 C ATOM 666 O PHE A 45 -1.193 8.147 3.551 1.00 0.00 O ATOM 667 CB PHE A 45 -3.644 9.813 5.193 1.00 0.00 C ATOM 668 CG PHE A 45 -5.120 9.876 5.549 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.992 10.691 4.800 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.631 9.106 6.613 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.363 10.736 5.114 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.999 9.159 6.934 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.865 9.975 6.184 1.00 0.00 C ATOM 0 H PHE A 45 -3.903 7.395 4.884 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.932 9.689 3.091 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.111 9.274 5.977 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.240 10.825 5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.607 11.283 3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.969 8.472 7.184 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.030 11.355 4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.384 8.574 7.756 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.916 10.017 6.430 1.00 0.00 H new ATOM 683 N PRO A 46 -1.330 10.297 2.933 1.00 0.00 N ATOM 684 CA PRO A 46 0.010 10.354 2.324 1.00 0.00 C ATOM 685 C PRO A 46 1.177 9.851 3.199 1.00 0.00 C ATOM 686 O PRO A 46 2.231 9.498 2.668 1.00 0.00 O ATOM 687 CB PRO A 46 0.207 11.824 1.934 1.00 0.00 C ATOM 688 CG PRO A 46 -1.215 12.318 1.692 1.00 0.00 C ATOM 689 CD PRO A 46 -2.009 11.573 2.761 1.00 0.00 C ATOM 0 HA PRO A 46 0.039 9.664 1.480 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.699 12.388 2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.825 11.924 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.294 13.399 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.563 12.078 0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.032 12.134 3.695 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.044 11.428 2.451 1.00 0.00 H new ATOM 697 N ASN A 47 0.987 9.797 4.523 1.00 0.00 N ATOM 698 CA ASN A 47 1.903 9.273 5.531 1.00 0.00 C ATOM 699 C ASN A 47 1.836 7.740 5.730 1.00 0.00 C ATOM 700 O ASN A 47 2.657 7.200 6.471 1.00 0.00 O ATOM 701 CB ASN A 47 1.584 9.979 6.862 1.00 0.00 C ATOM 702 CG ASN A 47 0.326 9.415 7.517 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.666 9.129 6.859 1.00 0.00 O ATOM 704 ND2 ASN A 47 0.356 9.178 8.809 1.00 0.00 N ATOM 0 H ASN A 47 0.125 10.145 4.943 1.00 0.00 H new ATOM 0 HA ASN A 47 2.916 9.473 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.428 9.869 7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.454 11.047 6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.450 8.754 9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.185 9.418 9.352 1.00 0.00 H new ATOM 711 N GLY A 48 0.856 7.055 5.124 1.00 0.00 N ATOM 712 CA GLY A 48 0.627 5.614 5.244 1.00 0.00 C ATOM 713 C GLY A 48 -0.500 5.207 6.205 1.00 0.00 C ATOM 714 O GLY A 48 -0.767 4.014 6.333 1.00 0.00 O ATOM 0 H GLY A 48 0.177 7.510 4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.401 5.215 4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.552 5.142 5.574 1.00 0.00 H new ATOM 718 N THR A 49 -1.180 6.151 6.876 1.00 0.00 N ATOM 719 CA THR A 49 -2.294 5.844 7.790 1.00 0.00 C ATOM 720 C THR A 49 -3.518 5.378 6.999 1.00 0.00 C ATOM 721 O THR A 49 -4.078 6.153 6.227 1.00 0.00 O ATOM 722 CB THR A 49 -2.655 7.056 8.670 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.591 7.332 9.555 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.877 6.816 9.563 1.00 0.00 C ATOM 0 H THR A 49 -0.974 7.147 6.801 1.00 0.00 H new ATOM 0 HA THR A 49 -1.970 5.039 8.450 1.00 0.00 H new ATOM 0 HB THR A 49 -2.863 7.870 7.975 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.889 7.971 10.236 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.076 7.709 10.156 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.744 6.593 8.941 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.682 5.975 10.228 1.00 0.00 H new ATOM 732 N GLU A 50 -3.934 4.123 7.195 1.00 0.00 N ATOM 733 CA GLU A 50 -5.137 3.535 6.594 1.00 0.00 C ATOM 734 C GLU A 50 -6.408 4.351 6.881 1.00 0.00 C ATOM 735 O GLU A 50 -6.668 4.734 8.019 1.00 0.00 O ATOM 736 CB GLU A 50 -5.274 2.075 7.065 1.00 0.00 C ATOM 737 CG GLU A 50 -6.529 1.368 6.514 1.00 0.00 C ATOM 738 CD GLU A 50 -6.529 -0.152 6.735 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.439 -0.765 6.703 1.00 0.00 O ATOM 740 OE2 GLU A 50 -7.634 -0.712 6.913 1.00 0.00 O ATOM 0 H GLU A 50 -3.429 3.469 7.793 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.022 3.555 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.389 1.518 6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.303 2.054 8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.413 1.795 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.610 1.571 5.446 1.00 0.00 H new ATOM 747 N VAL A 51 -7.224 4.550 5.839 1.00 0.00 N ATOM 748 CA VAL A 51 -8.553 5.162 5.904 1.00 0.00 C ATOM 749 C VAL A 51 -9.562 4.071 6.303 1.00 0.00 C ATOM 750 O VAL A 51 -9.782 3.141 5.509 1.00 0.00 O ATOM 751 CB VAL A 51 -8.950 5.780 4.549 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.297 6.510 4.655 1.00 0.00 C ATOM 753 CG2 VAL A 51 -7.911 6.786 4.035 1.00 0.00 C ATOM 0 H VAL A 51 -6.965 4.278 4.891 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.546 5.966 6.640 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.016 4.947 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.556 6.938 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.070 5.804 4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.222 7.307 5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.239 7.191 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.803 7.597 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.952 6.285 3.907 1.00 0.00 H new ATOM 763 N PRO A 52 -10.154 4.138 7.517 1.00 0.00 N ATOM 764 CA PRO A 52 -11.082 3.127 8.023 1.00 0.00 C ATOM 765 C PRO A 52 -12.214 2.791 7.050 1.00 0.00 C ATOM 766 O PRO A 52 -12.660 3.632 6.272 1.00 0.00 O ATOM 767 CB PRO A 52 -11.644 3.689 9.334 1.00 0.00 C ATOM 768 CG PRO A 52 -10.531 4.607 9.824 1.00 0.00 C ATOM 769 CD PRO A 52 -9.976 5.180 8.522 1.00 0.00 C ATOM 0 HA PRO A 52 -10.552 2.185 8.165 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.574 4.234 9.173 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.859 2.898 10.052 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.910 5.389 10.482 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.771 4.061 10.383 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.505 6.090 8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.924 5.444 8.629 1.00 0.00 H new ATOM 777 N ASN A 53 -12.696 1.547 7.130 1.00 0.00 N ATOM 778 CA ASN A 53 -13.777 0.979 6.319 1.00 0.00 C ATOM 779 C ASN A 53 -13.539 0.961 4.795 1.00 0.00 C ATOM 780 O ASN A 53 -14.408 0.481 4.072 1.00 0.00 O ATOM 781 CB ASN A 53 -15.115 1.639 6.704 1.00 0.00 C ATOM 782 CG ASN A 53 -15.372 1.614 8.203 1.00 0.00 C ATOM 783 OD1 ASN A 53 -15.278 0.587 8.854 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.686 2.746 8.801 1.00 0.00 N ATOM 0 H ASN A 53 -12.322 0.873 7.798 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.808 -0.083 6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.119 2.672 6.356 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.929 1.127 6.191 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.850 2.763 9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.765 3.605 8.257 1.00 0.00 H new ATOM 791 N THR A 54 -12.378 1.405 4.285 1.00 0.00 N ATOM 792 CA THR A 54 -12.026 1.195 2.871 1.00 0.00 C ATOM 793 C THR A 54 -11.669 -0.262 2.620 1.00 0.00 C ATOM 794 O THR A 54 -11.967 -0.776 1.545 1.00 0.00 O ATOM 795 CB THR A 54 -10.876 2.094 2.377 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.704 1.972 3.164 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.325 3.557 2.391 1.00 0.00 C ATOM 0 H THR A 54 -11.673 1.907 4.825 1.00 0.00 H new ATOM 0 HA THR A 54 -12.914 1.473 2.303 1.00 0.00 H new ATOM 0 HB THR A 54 -10.633 1.767 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.669 2.704 3.815 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.510 4.191 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.187 3.679 1.735 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.598 3.844 3.406 1.00 0.00 H new ATOM 805 N ARG A 55 -11.081 -0.933 3.623 1.00 0.00 N ATOM 806 CA ARG A 55 -10.515 -2.278 3.550 1.00 0.00 C ATOM 807 C ARG A 55 -11.439 -3.263 2.820 1.00 0.00 C ATOM 808 O ARG A 55 -12.451 -3.702 3.360 1.00 0.00 O ATOM 809 CB ARG A 55 -10.100 -2.746 4.951 1.00 0.00 C ATOM 810 CG ARG A 55 -9.502 -4.161 4.905 1.00 0.00 C ATOM 811 CD ARG A 55 -8.708 -4.509 6.165 1.00 0.00 C ATOM 812 NE ARG A 55 -7.430 -3.783 6.201 1.00 0.00 N ATOM 813 CZ ARG A 55 -6.305 -4.131 5.591 1.00 0.00 C ATOM 814 NH1 ARG A 55 -6.212 -5.239 4.893 1.00 0.00 N ATOM 815 NH2 ARG A 55 -5.247 -3.357 5.655 1.00 0.00 N ATOM 0 H ARG A 55 -10.986 -0.525 4.553 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.613 -2.245 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.370 -2.052 5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.966 -2.735 5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.305 -4.886 4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.851 -4.247 4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.296 -4.262 7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.521 -5.582 6.196 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.406 -2.924 6.751 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.018 -5.858 4.809 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.333 -5.481 4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.287 -2.481 6.176 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.385 -3.631 5.183 1.00 0.00 H new ATOM 829 N SER A 56 -11.083 -3.575 1.571 1.00 0.00 N ATOM 830 CA SER A 56 -11.893 -4.345 0.620 1.00 0.00 C ATOM 831 C SER A 56 -11.026 -5.382 -0.090 1.00 0.00 C ATOM 832 O SER A 56 -9.799 -5.291 -0.070 1.00 0.00 O ATOM 833 CB SER A 56 -12.514 -3.421 -0.440 1.00 0.00 C ATOM 834 OG SER A 56 -13.307 -2.389 0.110 1.00 0.00 O ATOM 0 H SER A 56 -10.187 -3.287 1.178 1.00 0.00 H new ATOM 0 HA SER A 56 -12.686 -4.840 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.717 -2.978 -1.037 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.125 -4.017 -1.117 1.00 0.00 H new ATOM 0 HG SER A 56 -12.739 -1.780 0.627 1.00 0.00 H new ATOM 840 N ARG A 57 -11.650 -6.328 -0.802 1.00 0.00 N ATOM 841 CA ARG A 57 -10.966 -7.413 -1.527 1.00 0.00 C ATOM 842 C ARG A 57 -10.380 -6.978 -2.886 1.00 0.00 C ATOM 843 O ARG A 57 -10.028 -7.805 -3.721 1.00 0.00 O ATOM 844 CB ARG A 57 -11.889 -8.642 -1.656 1.00 0.00 C ATOM 845 CG ARG A 57 -12.568 -9.105 -0.350 1.00 0.00 C ATOM 846 CD ARG A 57 -11.640 -9.251 0.866 1.00 0.00 C ATOM 847 NE ARG A 57 -10.582 -10.257 0.675 1.00 0.00 N ATOM 848 CZ ARG A 57 -10.585 -11.517 1.088 1.00 0.00 C ATOM 849 NH1 ARG A 57 -11.665 -12.063 1.597 1.00 0.00 N ATOM 850 NH2 ARG A 57 -9.501 -12.254 1.006 1.00 0.00 N ATOM 0 H ARG A 57 -12.665 -6.364 -0.894 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.100 -7.694 -0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.665 -8.416 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.306 -9.472 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.356 -8.395 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.051 -10.065 -0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.180 -8.287 1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.235 -9.521 1.738 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.752 -9.950 0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.522 -11.516 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.647 -13.034 1.909 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.643 -11.858 0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.517 -13.222 1.327 1.00 0.00 H new ATOM 864 N GLY A 58 -10.311 -5.665 -3.114 1.00 0.00 N ATOM 865 CA GLY A 58 -9.946 -5.013 -4.372 1.00 0.00 C ATOM 866 C GLY A 58 -9.924 -3.483 -4.255 1.00 0.00 C ATOM 867 O GLY A 58 -10.129 -2.941 -3.169 1.00 0.00 O ATOM 0 H GLY A 58 -10.521 -4.988 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.964 -5.364 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.654 -5.305 -5.148 1.00 0.00 H new ATOM 871 N HIS A 59 -9.636 -2.804 -5.373 1.00 0.00 N ATOM 872 CA HIS A 59 -9.398 -1.354 -5.454 1.00 0.00 C ATOM 873 C HIS A 59 -10.611 -0.490 -5.052 1.00 0.00 C ATOM 874 O HIS A 59 -11.759 -0.935 -5.076 1.00 0.00 O ATOM 875 CB HIS A 59 -8.991 -0.983 -6.896 1.00 0.00 C ATOM 876 CG HIS A 59 -7.703 -1.567 -7.433 1.00 0.00 C ATOM 877 ND1 HIS A 59 -7.173 -1.291 -8.673 1.00 0.00 N ATOM 878 CD2 HIS A 59 -6.840 -2.425 -6.805 1.00 0.00 C ATOM 879 CE1 HIS A 59 -6.018 -1.972 -8.788 1.00 0.00 C ATOM 880 NE2 HIS A 59 -5.778 -2.677 -7.674 1.00 0.00 N ATOM 0 H HIS A 59 -9.559 -3.265 -6.280 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.605 -1.140 -4.737 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.800 -1.285 -7.561 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.918 0.103 -6.955 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.960 -2.834 -5.813 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -5.375 -1.953 -9.656 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.975 -3.280 -7.496 1.00 0.00 H new ATOM 888 N HIS A 60 -10.345 0.793 -4.769 1.00 0.00 N ATOM 889 CA HIS A 60 -11.335 1.850 -4.531 1.00 0.00 C ATOM 890 C HIS A 60 -10.760 3.226 -4.938 1.00 0.00 C ATOM 891 O HIS A 60 -9.565 3.359 -5.203 1.00 0.00 O ATOM 892 CB HIS A 60 -11.869 1.806 -3.076 1.00 0.00 C ATOM 893 CG HIS A 60 -11.059 0.978 -2.108 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.431 -0.213 -1.530 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.777 1.227 -1.717 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.379 -0.650 -0.815 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.349 0.194 -0.903 1.00 0.00 N ATOM 0 H HIS A 60 -9.388 1.137 -4.697 1.00 0.00 H new ATOM 0 HA HIS A 60 -12.204 1.675 -5.166 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.923 2.827 -2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.888 1.419 -3.094 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.334 -0.677 -1.625 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.191 2.090 -1.997 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.369 -1.566 -0.243 1.00 0.00 H new ATOM 905 N ASN A 61 -11.616 4.256 -4.991 1.00 0.00 N ATOM 906 CA ASN A 61 -11.411 5.595 -5.562 1.00 0.00 C ATOM 907 C ASN A 61 -10.507 6.524 -4.723 1.00 0.00 C ATOM 908 O ASN A 61 -10.793 7.719 -4.572 1.00 0.00 O ATOM 909 CB ASN A 61 -12.803 6.222 -5.796 1.00 0.00 C ATOM 910 CG ASN A 61 -13.737 5.328 -6.599 1.00 0.00 C ATOM 911 OD1 ASN A 61 -14.281 4.362 -6.086 1.00 0.00 O ATOM 912 ND2 ASN A 61 -13.943 5.608 -7.870 1.00 0.00 N ATOM 0 H ASN A 61 -12.554 4.165 -4.600 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.865 5.479 -6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.262 6.442 -4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.683 7.172 -6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.559 5.017 -8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.487 6.415 -8.295 1.00 0.00 H new ATOM 919 N CYS A 62 -9.431 5.979 -4.148 1.00 0.00 N ATOM 920 CA CYS A 62 -8.615 6.668 -3.158 1.00 0.00 C ATOM 921 C CYS A 62 -8.082 8.011 -3.658 1.00 0.00 C ATOM 922 O CYS A 62 -7.211 8.067 -4.525 1.00 0.00 O ATOM 923 CB CYS A 62 -7.441 5.809 -2.711 1.00 0.00 C ATOM 924 SG CYS A 62 -7.864 4.180 -2.103 1.00 0.00 S ATOM 0 H CYS A 62 -9.103 5.037 -4.363 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.278 6.857 -2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.755 5.697 -3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -6.902 6.341 -1.927 1.00 0.00 H new ATOM 929 N SER A 63 -8.597 9.091 -3.074 1.00 0.00 N ATOM 930 CA SER A 63 -8.390 10.468 -3.498 1.00 0.00 C ATOM 931 C SER A 63 -7.664 11.288 -2.424 1.00 0.00 C ATOM 932 O SER A 63 -7.734 12.512 -2.386 1.00 0.00 O ATOM 933 CB SER A 63 -9.741 11.065 -3.914 1.00 0.00 C ATOM 934 OG SER A 63 -10.324 10.315 -4.971 1.00 0.00 O ATOM 0 H SER A 63 -9.198 9.023 -2.253 1.00 0.00 H new ATOM 0 HA SER A 63 -7.729 10.495 -4.364 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.416 11.079 -3.058 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.604 12.099 -4.229 1.00 0.00 H new ATOM 0 HG SER A 63 -10.740 9.506 -4.607 1.00 0.00 H new ATOM 940 N GLU A 64 -6.942 10.591 -1.542 1.00 0.00 N ATOM 941 CA GLU A 64 -6.336 11.083 -0.294 1.00 0.00 C ATOM 942 C GLU A 64 -5.092 11.971 -0.466 1.00 0.00 C ATOM 943 O GLU A 64 -4.343 12.196 0.481 1.00 0.00 O ATOM 944 CB GLU A 64 -6.016 9.897 0.646 1.00 0.00 C ATOM 945 CG GLU A 64 -6.998 8.711 0.632 1.00 0.00 C ATOM 946 CD GLU A 64 -8.463 9.128 0.770 1.00 0.00 C ATOM 947 OE1 GLU A 64 -8.797 9.729 1.814 1.00 0.00 O ATOM 948 OE2 GLU A 64 -9.221 8.843 -0.187 1.00 0.00 O ATOM 0 H GLU A 64 -6.750 9.600 -1.688 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.090 11.736 0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.026 9.520 0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.959 10.278 1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.873 8.157 -0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.744 8.030 1.445 1.00 0.00 H new ATOM 955 N SER A 65 -4.864 12.455 -1.682 1.00 0.00 N ATOM 956 CA SER A 65 -3.661 13.175 -2.105 1.00 0.00 C ATOM 957 C SER A 65 -3.980 14.137 -3.254 1.00 0.00 C ATOM 958 O SER A 65 -4.086 13.704 -4.405 1.00 0.00 O ATOM 959 CB SER A 65 -2.564 12.171 -2.506 1.00 0.00 C ATOM 960 OG SER A 65 -2.957 11.440 -3.650 1.00 0.00 O ATOM 0 H SER A 65 -5.542 12.353 -2.437 1.00 0.00 H new ATOM 0 HA SER A 65 -3.294 13.772 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.633 12.701 -2.708 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.368 11.488 -1.680 1.00 0.00 H new ATOM 0 HG SER A 65 -3.386 12.043 -4.292 1.00 0.00 H new TER 966 SER A 65