USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 934 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 29 THR OG1 : rot 55:sc= 1.13 USER MOD Set 1.2: A 31 HIS : no HE2:sc= 0.859 K(o=2,f=-4.6!) USER MOD Set 2.1: A 23 SER OG : rot -30:sc= 1.01 USER MOD Set 2.2: A 26 GLN : amide:sc= -0.768 K(o=0.24,f=-0.69!) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= -0.0177 (180deg=-0.269) USER MOD Single : A 9 LYS NZ :NH3+ 134:sc= -0.0425 (180deg=-0.336) USER MOD Single : A 12 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.007) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN :FLIP amide:sc= -1.32 F(o=-2.3,f=-1.3) USER MOD Single : A 15 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -107:sc= -0.209 (180deg=-1.99!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -176:sc= -1.39 USER MOD Single : A 39 LYS NZ :NH3+ -111:sc= -0.663 (180deg=-2.58!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.102 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.899 F(o=-3.9!,f=-0.9) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -177:sc= 0 (180deg=-0.00307) USER MOD Single : A 54 ASN : amide:sc= -0.475 K(o=-0.47,f=-3.8!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.03 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 68 THR OG1 : rot -14:sc= 0.137 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.8!) USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= -0.0617 (180deg=-0.358) USER MOD Single : A 76 GLN : amide:sc=-0.00767 K(o=-0.0077,f=-0.95) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= -0.957 (180deg=-1.03) USER MOD Single : A 79 ASN : amide:sc= -1.76 X(o=-1.8,f=-2) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 97:sc= 0.648 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0184 K(o=-0.018,f=-0.87) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 123:sc= 0.217 USER MOD Single : A 112 GLN : amide:sc= -1.59 K(o=-1.6,f=-7.1!) USER MOD Single : A 113 SER OG : rot 150:sc= 0 USER MOD Single : A 118 THR OG1 : rot 100:sc= -1.05 USER MOD Single : A 120 LYS NZ :NH3+ -166:sc= -0.0461 (180deg=-0.297) USER MOD Single : A 123 THR OG1 : rot 9:sc= 0.695 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 8 -10.649 24.368 -4.964 1.00 0.00 N ATOM 2 CA LYS A 8 -10.622 22.954 -4.511 1.00 0.00 C ATOM 3 C LYS A 8 -9.338 22.263 -4.958 1.00 0.00 C ATOM 4 O LYS A 8 -9.264 21.035 -5.004 1.00 0.00 O ATOM 5 CB LYS A 8 -11.835 22.200 -5.061 1.00 0.00 C ATOM 6 CG LYS A 8 -11.914 22.199 -6.579 1.00 0.00 C ATOM 7 CD LYS A 8 -13.131 21.434 -7.074 1.00 0.00 C ATOM 8 CE LYS A 8 -13.209 21.433 -8.592 1.00 0.00 C ATOM 9 NZ LYS A 8 -12.011 20.802 -9.210 1.00 0.00 N ATOM 0 HA LYS A 8 -10.657 22.947 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.803 21.170 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.744 22.648 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.956 23.226 -6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.010 21.752 -6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.089 20.407 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.036 21.882 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.105 20.899 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.305 22.458 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.201 20.606 -10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.199 21.447 -9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.795 19.912 -8.718 1.00 0.00 H new ATOM 23 N LYS A 9 -8.327 23.063 -5.280 1.00 0.00 N ATOM 24 CA LYS A 9 -7.042 22.533 -5.724 1.00 0.00 C ATOM 25 C LYS A 9 -6.109 22.306 -4.539 1.00 0.00 C ATOM 26 O LYS A 9 -5.875 23.212 -3.738 1.00 0.00 O ATOM 27 CB LYS A 9 -6.392 23.489 -6.727 1.00 0.00 C ATOM 28 CG LYS A 9 -5.062 22.992 -7.274 1.00 0.00 C ATOM 29 CD LYS A 9 -5.226 21.713 -8.084 1.00 0.00 C ATOM 30 CE LYS A 9 -6.033 21.951 -9.350 1.00 0.00 C ATOM 31 NZ LYS A 9 -5.393 22.960 -10.238 1.00 0.00 N ATOM 0 H LYS A 9 -8.372 24.081 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.220 21.574 -6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.078 23.651 -7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.239 24.456 -6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.615 23.764 -7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.373 22.813 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.244 21.320 -8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.720 20.956 -7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.145 21.011 -9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.035 22.286 -9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.394 22.611 -11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.924 23.853 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.413 23.123 -9.929 1.00 0.00 H new ATOM 45 N ASP A 10 -5.579 21.092 -4.434 1.00 0.00 N ATOM 46 CA ASP A 10 -4.670 20.743 -3.348 1.00 0.00 C ATOM 47 C ASP A 10 -3.517 19.886 -3.857 1.00 0.00 C ATOM 48 O ASP A 10 -3.663 19.147 -4.831 1.00 0.00 O ATOM 49 CB ASP A 10 -5.424 20.001 -2.243 1.00 0.00 C ATOM 50 CG ASP A 10 -6.544 20.831 -1.647 1.00 0.00 C ATOM 51 OD1 ASP A 10 -7.677 20.758 -2.164 1.00 0.00 O ATOM 52 OD2 ASP A 10 -6.286 21.554 -0.661 1.00 0.00 O ATOM 0 H ASP A 10 -5.764 20.332 -5.089 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.259 21.667 -2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.836 19.076 -2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.725 19.721 -1.455 1.00 0.00 H new ATOM 57 N GLU A 11 -2.370 19.990 -3.193 1.00 0.00 N ATOM 58 CA GLU A 11 -1.190 19.223 -3.577 1.00 0.00 C ATOM 59 C GLU A 11 -0.540 18.574 -2.360 1.00 0.00 C ATOM 60 O GLU A 11 0.033 19.259 -1.511 1.00 0.00 O ATOM 61 CB GLU A 11 -0.180 20.125 -4.290 1.00 0.00 C ATOM 62 CG GLU A 11 -0.717 20.753 -5.566 1.00 0.00 C ATOM 63 CD GLU A 11 0.302 21.640 -6.253 1.00 0.00 C ATOM 64 OE1 GLU A 11 1.067 21.125 -7.095 1.00 0.00 O ATOM 65 OE2 GLU A 11 0.337 22.851 -5.948 1.00 0.00 O ATOM 0 H GLU A 11 -2.233 20.598 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.507 18.434 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.131 20.917 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.710 19.542 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.028 19.965 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.605 21.340 -5.332 1.00 0.00 H new ATOM 72 N HIS A 12 -0.636 17.250 -2.280 1.00 0.00 N ATOM 73 CA HIS A 12 -0.057 16.507 -1.166 1.00 0.00 C ATOM 74 C HIS A 12 0.680 15.268 -1.664 1.00 0.00 C ATOM 75 O HIS A 12 1.897 15.158 -1.520 1.00 0.00 O ATOM 76 CB HIS A 12 -1.148 16.101 -0.174 1.00 0.00 C ATOM 77 CG HIS A 12 -1.849 17.264 0.456 1.00 0.00 C ATOM 78 ND1 HIS A 12 -3.096 17.697 0.057 1.00 0.00 N ATOM 79 CD2 HIS A 12 -1.472 18.085 1.465 1.00 0.00 C ATOM 80 CE1 HIS A 12 -3.455 18.734 0.793 1.00 0.00 C ATOM 81 NE2 HIS A 12 -2.488 18.989 1.654 1.00 0.00 N ATOM 0 H HIS A 12 -1.109 16.670 -2.973 1.00 0.00 H new ATOM 0 HA HIS A 12 0.659 17.156 -0.662 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.882 15.480 -0.688 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -0.704 15.487 0.610 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.545 18.037 2.018 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.382 19.280 0.705 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -2.494 19.737 2.348 1.00 0.00 H new ATOM 90 N LYS A 13 -0.072 14.340 -2.249 1.00 0.00 N ATOM 91 CA LYS A 13 0.495 13.101 -2.774 1.00 0.00 C ATOM 92 C LYS A 13 1.182 12.300 -1.673 1.00 0.00 C ATOM 93 O LYS A 13 2.305 12.606 -1.275 1.00 0.00 O ATOM 94 CB LYS A 13 1.490 13.401 -3.898 1.00 0.00 C ATOM 95 CG LYS A 13 0.847 14.002 -5.136 1.00 0.00 C ATOM 96 CD LYS A 13 1.873 14.255 -6.229 1.00 0.00 C ATOM 97 CE LYS A 13 1.218 14.760 -7.502 1.00 0.00 C ATOM 98 NZ LYS A 13 2.217 15.037 -8.571 1.00 0.00 N ATOM 0 H LYS A 13 -1.081 14.423 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.324 12.504 -3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.251 14.087 -3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.001 12.479 -4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.075 13.330 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.355 14.938 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.604 14.984 -5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.417 13.334 -6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.501 14.021 -7.859 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.657 15.669 -7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.728 15.380 -9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.887 15.761 -8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.735 14.164 -8.797 1.00 0.00 H new ATOM 112 N GLN A 14 0.498 11.270 -1.184 1.00 0.00 N ATOM 113 CA GLN A 14 1.042 10.419 -0.134 1.00 0.00 C ATOM 114 C GLN A 14 2.246 9.633 -0.638 1.00 0.00 C ATOM 115 O GLN A 14 2.097 8.624 -1.327 1.00 0.00 O ATOM 116 CB GLN A 14 -0.029 9.456 0.379 1.00 0.00 C ATOM 117 CG GLN A 14 -0.926 10.053 1.450 1.00 0.00 C ATOM 118 CD GLN A 14 -0.151 10.523 2.665 1.00 0.00 C ATOM 119 OE1 GLN A 14 0.042 9.628 3.626 1.00 0.00 O flip ATOM 120 NE2 GLN A 14 0.273 11.676 2.737 1.00 0.00 N flip ATOM 0 H GLN A 14 -0.435 11.005 -1.499 1.00 0.00 H new ATOM 0 HA GLN A 14 1.366 11.061 0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.646 9.132 -0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.457 8.566 0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.478 10.893 1.029 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.662 9.310 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.101 12.331 1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.796 11.977 3.559 1.00 0.00 H new ATOM 129 N GLN A 15 3.441 10.101 -0.293 1.00 0.00 N ATOM 130 CA GLN A 15 4.670 9.439 -0.711 1.00 0.00 C ATOM 131 C GLN A 15 5.550 9.117 0.492 1.00 0.00 C ATOM 132 O GLN A 15 5.786 9.969 1.348 1.00 0.00 O ATOM 133 CB GLN A 15 5.442 10.317 -1.696 1.00 0.00 C ATOM 134 CG GLN A 15 4.613 10.772 -2.886 1.00 0.00 C ATOM 135 CD GLN A 15 5.384 11.687 -3.817 1.00 0.00 C ATOM 136 OE1 GLN A 15 6.061 11.100 -4.797 1.00 0.00 O flip ATOM 137 NE2 GLN A 15 5.372 12.907 -3.657 1.00 0.00 N flip ATOM 0 H GLN A 15 3.584 10.936 0.275 1.00 0.00 H new ATOM 0 HA GLN A 15 4.397 8.506 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.819 11.194 -1.170 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.310 9.766 -2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.271 9.899 -3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.723 11.290 -2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.838 13.316 -2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.896 13.510 -4.291 1.00 0.00 H new ATOM 146 N GLY A 16 6.030 7.881 0.548 1.00 0.00 N ATOM 147 CA GLY A 16 6.880 7.462 1.646 1.00 0.00 C ATOM 148 C GLY A 16 7.298 6.008 1.534 1.00 0.00 C ATOM 149 O GLY A 16 7.713 5.556 0.467 1.00 0.00 O ATOM 0 H GLY A 16 5.845 7.160 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.769 8.091 1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.353 7.614 2.588 1.00 0.00 H new ATOM 153 N GLU A 17 7.186 5.275 2.638 1.00 0.00 N ATOM 154 CA GLU A 17 7.559 3.866 2.659 1.00 0.00 C ATOM 155 C GLU A 17 6.469 3.021 3.312 1.00 0.00 C ATOM 156 O GLU A 17 5.920 3.392 4.349 1.00 0.00 O ATOM 157 CB GLU A 17 8.880 3.681 3.406 1.00 0.00 C ATOM 158 CG GLU A 17 10.018 4.517 2.843 1.00 0.00 C ATOM 159 CD GLU A 17 11.311 4.340 3.616 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.450 4.960 4.690 1.00 0.00 O ATOM 161 OE2 GLU A 17 12.184 3.580 3.145 1.00 0.00 O ATOM 0 H GLU A 17 6.840 5.634 3.528 1.00 0.00 H new ATOM 0 HA GLU A 17 7.680 3.533 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.734 3.940 4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.162 2.629 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.182 4.245 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.732 5.569 2.857 1.00 0.00 H new ATOM 168 N LEU A 18 6.160 1.884 2.694 1.00 0.00 N ATOM 169 CA LEU A 18 5.137 0.983 3.212 1.00 0.00 C ATOM 170 C LEU A 18 5.580 -0.472 3.087 1.00 0.00 C ATOM 171 O LEU A 18 6.530 -0.781 2.368 1.00 0.00 O ATOM 172 CB LEU A 18 3.817 1.191 2.467 1.00 0.00 C ATOM 173 CG LEU A 18 2.678 1.772 3.307 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.442 1.991 2.450 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.357 0.854 4.479 1.00 0.00 C ATOM 0 H LEU A 18 6.605 1.565 1.833 1.00 0.00 H new ATOM 0 HA LEU A 18 4.990 1.211 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.997 1.854 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.494 0.233 2.059 1.00 0.00 H new ATOM 0 HG LEU A 18 2.999 2.736 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.642 2.405 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.677 2.686 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.120 1.040 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.545 1.283 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.056 -0.124 4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.240 0.745 5.108 1.00 0.00 H new ATOM 187 N TYR A 19 4.886 -1.361 3.791 1.00 0.00 N ATOM 188 CA TYR A 19 5.209 -2.781 3.759 1.00 0.00 C ATOM 189 C TYR A 19 4.101 -3.575 3.078 1.00 0.00 C ATOM 190 O TYR A 19 2.916 -3.329 3.304 1.00 0.00 O ATOM 191 CB TYR A 19 5.433 -3.307 5.178 1.00 0.00 C ATOM 192 CG TYR A 19 6.638 -2.704 5.864 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.640 -1.374 6.263 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.773 -3.465 6.111 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.739 -0.819 6.890 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.876 -2.918 6.738 1.00 0.00 C ATOM 197 CZ TYR A 19 8.854 -1.594 7.125 1.00 0.00 C ATOM 198 OH TYR A 19 9.951 -1.045 7.749 1.00 0.00 O ATOM 0 H TYR A 19 4.096 -1.122 4.390 1.00 0.00 H new ATOM 0 HA TYR A 19 6.127 -2.907 3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.545 -3.103 5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.551 -4.390 5.141 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.768 -0.763 6.080 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.794 -4.501 5.808 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.724 0.217 7.194 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.751 -3.524 6.924 1.00 0.00 H new ATOM 0 HH TYR A 19 10.650 -1.725 7.839 1.00 0.00 H new ATOM 208 N MET A 20 4.498 -4.525 2.242 1.00 0.00 N ATOM 209 CA MET A 20 3.549 -5.362 1.520 1.00 0.00 C ATOM 210 C MET A 20 3.922 -6.834 1.649 1.00 0.00 C ATOM 211 O MET A 20 5.100 -7.181 1.723 1.00 0.00 O ATOM 212 CB MET A 20 3.503 -4.954 0.047 1.00 0.00 C ATOM 213 CG MET A 20 2.773 -3.642 -0.201 1.00 0.00 C ATOM 214 SD MET A 20 3.086 -2.971 -1.846 1.00 0.00 S ATOM 215 CE MET A 20 2.447 -4.287 -2.878 1.00 0.00 C ATOM 0 H MET A 20 5.477 -4.736 2.046 1.00 0.00 H new ATOM 0 HA MET A 20 2.561 -5.220 1.957 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.522 -4.869 -0.330 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.017 -5.744 -0.525 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.702 -3.798 -0.074 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.080 -2.913 0.549 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.277 -4.824 -3.338 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.863 -4.976 -2.268 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.812 -3.863 -3.656 1.00 0.00 H new ATOM 225 N TRP A 21 2.910 -7.696 1.677 1.00 0.00 N ATOM 226 CA TRP A 21 3.131 -9.131 1.806 1.00 0.00 C ATOM 227 C TRP A 21 3.843 -9.699 0.583 1.00 0.00 C ATOM 228 O TRP A 21 3.396 -9.520 -0.550 1.00 0.00 O ATOM 229 CB TRP A 21 1.800 -9.856 2.017 1.00 0.00 C ATOM 230 CG TRP A 21 1.913 -11.350 1.945 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.263 -12.179 1.075 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.726 -12.193 2.771 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.619 -13.485 1.313 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.513 -13.518 2.348 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.612 -11.959 3.827 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.151 -14.601 2.943 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.245 -13.038 4.415 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.011 -14.343 3.971 1.00 0.00 C ATOM 0 H TRP A 21 1.929 -7.425 1.612 1.00 0.00 H new ATOM 0 HA TRP A 21 3.771 -9.290 2.674 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.394 -9.577 2.989 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.088 -9.517 1.265 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.571 -11.855 0.312 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.273 -14.297 0.802 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.798 -10.954 4.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 2.972 -15.611 2.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.932 -12.870 5.231 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.522 -15.164 4.452 1.00 0.00 H new ATOM 249 N ASP A 22 4.955 -10.385 0.826 1.00 0.00 N ATOM 250 CA ASP A 22 5.731 -10.998 -0.244 1.00 0.00 C ATOM 251 C ASP A 22 5.765 -12.512 -0.072 1.00 0.00 C ATOM 252 O ASP A 22 6.601 -13.040 0.657 1.00 0.00 O ATOM 253 CB ASP A 22 7.157 -10.442 -0.255 1.00 0.00 C ATOM 254 CG ASP A 22 7.219 -9.023 -0.785 1.00 0.00 C ATOM 255 OD1 ASP A 22 6.975 -8.084 0.001 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.514 -8.850 -1.987 1.00 0.00 O ATOM 0 H ASP A 22 5.340 -10.530 1.759 1.00 0.00 H new ATOM 0 HA ASP A 22 5.254 -10.761 -1.195 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.562 -10.467 0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.790 -11.084 -0.868 1.00 0.00 H new ATOM 261 N SER A 23 4.844 -13.204 -0.741 1.00 0.00 N ATOM 262 CA SER A 23 4.770 -14.658 -0.649 1.00 0.00 C ATOM 263 C SER A 23 5.948 -15.317 -1.361 1.00 0.00 C ATOM 264 O SER A 23 6.124 -16.532 -1.288 1.00 0.00 O ATOM 265 CB SER A 23 3.450 -15.167 -1.232 1.00 0.00 C ATOM 266 OG SER A 23 3.341 -16.574 -1.098 1.00 0.00 O ATOM 0 H SER A 23 4.142 -12.782 -1.349 1.00 0.00 H new ATOM 0 HA SER A 23 4.816 -14.927 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.615 -14.685 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.384 -14.893 -2.285 1.00 0.00 H new ATOM 0 HG SER A 23 4.235 -16.975 -1.123 1.00 0.00 H new ATOM 272 N ILE A 24 6.750 -14.510 -2.051 1.00 0.00 N ATOM 273 CA ILE A 24 7.915 -15.026 -2.760 1.00 0.00 C ATOM 274 C ILE A 24 8.894 -15.627 -1.761 1.00 0.00 C ATOM 275 O ILE A 24 9.483 -16.682 -1.995 1.00 0.00 O ATOM 276 CB ILE A 24 8.625 -13.922 -3.570 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.644 -13.255 -4.541 1.00 0.00 C ATOM 278 CG2 ILE A 24 9.819 -14.496 -4.321 1.00 0.00 C ATOM 279 CD1 ILE A 24 7.048 -14.205 -5.560 1.00 0.00 C ATOM 0 H ILE A 24 6.615 -13.502 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 24 7.571 -15.789 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 24 8.989 -13.164 -2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.837 -12.798 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.158 -12.450 -5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.308 -13.703 -4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.526 -14.923 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.479 -15.274 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.365 -13.659 -6.210 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.846 -14.644 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.504 -14.997 -5.045 1.00 0.00 H new ATOM 291 N ASP A 25 9.051 -14.931 -0.644 1.00 0.00 N ATOM 292 CA ASP A 25 9.923 -15.369 0.435 1.00 0.00 C ATOM 293 C ASP A 25 9.117 -15.455 1.722 1.00 0.00 C ATOM 294 O ASP A 25 9.636 -15.808 2.780 1.00 0.00 O ATOM 295 CB ASP A 25 11.091 -14.397 0.610 1.00 0.00 C ATOM 296 CG ASP A 25 12.100 -14.497 -0.516 1.00 0.00 C ATOM 297 OD1 ASP A 25 11.902 -13.827 -1.552 1.00 0.00 O ATOM 298 OD2 ASP A 25 13.088 -15.245 -0.364 1.00 0.00 O ATOM 0 H ASP A 25 8.577 -14.047 -0.461 1.00 0.00 H new ATOM 0 HA ASP A 25 10.331 -16.350 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.707 -13.378 0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.588 -14.598 1.559 1.00 0.00 H new ATOM 303 N GLN A 26 7.833 -15.126 1.605 1.00 0.00 N ATOM 304 CA GLN A 26 6.917 -15.141 2.732 1.00 0.00 C ATOM 305 C GLN A 26 7.473 -14.329 3.891 1.00 0.00 C ATOM 306 O GLN A 26 7.935 -14.878 4.892 1.00 0.00 O ATOM 307 CB GLN A 26 6.612 -16.574 3.156 1.00 0.00 C ATOM 308 CG GLN A 26 5.797 -17.320 2.113 1.00 0.00 C ATOM 309 CD GLN A 26 4.378 -17.606 2.558 1.00 0.00 C ATOM 310 OE1 GLN A 26 4.110 -17.800 3.743 1.00 0.00 O ATOM 311 NE2 GLN A 26 3.459 -17.626 1.599 1.00 0.00 N ATOM 0 H GLN A 26 7.403 -14.842 0.725 1.00 0.00 H new ATOM 0 HA GLN A 26 5.981 -14.677 2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.547 -17.106 3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.068 -16.564 4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.772 -16.735 1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.294 -18.261 1.878 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.730 -17.459 0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.483 -17.808 1.832 1.00 0.00 H new ATOM 320 N LYS A 27 7.428 -13.009 3.734 1.00 0.00 N ATOM 321 CA LYS A 27 7.931 -12.097 4.753 1.00 0.00 C ATOM 322 C LYS A 27 7.532 -10.656 4.439 1.00 0.00 C ATOM 323 O LYS A 27 6.932 -10.380 3.398 1.00 0.00 O ATOM 324 CB LYS A 27 9.456 -12.202 4.840 1.00 0.00 C ATOM 325 CG LYS A 27 10.170 -11.742 3.579 1.00 0.00 C ATOM 326 CD LYS A 27 11.672 -11.951 3.681 1.00 0.00 C ATOM 327 CE LYS A 27 12.390 -11.441 2.443 1.00 0.00 C ATOM 328 NZ LYS A 27 13.862 -11.645 2.532 1.00 0.00 N ATOM 0 H LYS A 27 7.047 -12.547 2.908 1.00 0.00 H new ATOM 0 HA LYS A 27 7.491 -12.378 5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.805 -11.606 5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.730 -13.237 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.783 -12.290 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.960 -10.687 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.053 -11.435 4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.885 -13.012 3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.005 -11.955 1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.178 -10.380 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.315 -11.284 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.234 -11.134 3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.066 -12.660 2.632 1.00 0.00 H new ATOM 342 N TRP A 28 7.867 -9.746 5.349 1.00 0.00 N ATOM 343 CA TRP A 28 7.556 -8.332 5.170 1.00 0.00 C ATOM 344 C TRP A 28 8.799 -7.557 4.744 1.00 0.00 C ATOM 345 O TRP A 28 9.834 -7.613 5.408 1.00 0.00 O ATOM 346 CB TRP A 28 6.996 -7.737 6.465 1.00 0.00 C ATOM 347 CG TRP A 28 5.602 -8.186 6.778 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.233 -9.173 7.648 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.388 -7.662 6.226 1.00 0.00 C ATOM 350 NE1 TRP A 28 3.863 -9.293 7.672 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.324 -8.377 6.806 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.097 -6.655 5.298 1.00 0.00 C ATOM 353 CZ2 TRP A 28 1.993 -8.119 6.488 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.776 -6.401 4.985 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.738 -7.131 5.578 1.00 0.00 C ATOM 0 H TRP A 28 8.354 -9.963 6.218 1.00 0.00 H new ATOM 0 HA TRP A 28 6.803 -8.249 4.386 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.651 -8.009 7.293 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.010 -6.650 6.391 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.917 -9.771 8.231 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.335 -9.955 8.241 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.891 -6.087 4.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.190 -8.680 6.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.539 -5.626 4.271 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.715 -6.909 5.311 1.00 0.00 H new ATOM 366 N THR A 29 8.690 -6.834 3.634 1.00 0.00 N ATOM 367 CA THR A 29 9.808 -6.049 3.121 1.00 0.00 C ATOM 368 C THR A 29 9.460 -4.565 3.062 1.00 0.00 C ATOM 369 O THR A 29 8.292 -4.185 3.141 1.00 0.00 O ATOM 370 CB THR A 29 10.230 -6.518 1.717 1.00 0.00 C ATOM 371 OG1 THR A 29 9.084 -6.612 0.866 1.00 0.00 O ATOM 372 CG2 THR A 29 10.932 -7.864 1.778 1.00 0.00 C ATOM 0 H THR A 29 7.840 -6.775 3.073 1.00 0.00 H new ATOM 0 HA THR A 29 10.638 -6.199 3.812 1.00 0.00 H new ATOM 0 HB THR A 29 10.926 -5.784 1.311 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.611 -5.754 0.858 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.219 -8.171 0.772 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.823 -7.782 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.258 -8.607 2.205 1.00 0.00 H new ATOM 380 N ARG A 30 10.486 -3.733 2.918 1.00 0.00 N ATOM 381 CA ARG A 30 10.299 -2.288 2.843 1.00 0.00 C ATOM 382 C ARG A 30 10.242 -1.826 1.390 1.00 0.00 C ATOM 383 O ARG A 30 11.100 -2.183 0.583 1.00 0.00 O ATOM 384 CB ARG A 30 11.434 -1.571 3.579 1.00 0.00 C ATOM 385 CG ARG A 30 11.316 -0.057 3.559 1.00 0.00 C ATOM 386 CD ARG A 30 12.449 0.598 4.332 1.00 0.00 C ATOM 387 NE ARG A 30 12.448 0.210 5.740 1.00 0.00 N ATOM 388 CZ ARG A 30 13.248 0.749 6.655 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.111 1.696 6.310 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.186 0.341 7.914 1.00 0.00 N ATOM 0 H ARG A 30 11.458 -4.035 2.851 1.00 0.00 H new ATOM 0 HA ARG A 30 9.352 -2.038 3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.455 -1.911 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.385 -1.858 3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.325 0.297 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.360 0.241 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.402 0.322 3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.361 1.682 4.255 1.00 0.00 H new ATOM 0 HE ARG A 30 11.796 -0.516 6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.161 2.012 5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.724 2.108 7.013 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.524 -0.387 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.800 0.755 8.615 1.00 0.00 H new ATOM 404 N HIS A 31 9.228 -1.029 1.065 1.00 0.00 N ATOM 405 CA HIS A 31 9.061 -0.524 -0.293 1.00 0.00 C ATOM 406 C HIS A 31 8.867 0.989 -0.296 1.00 0.00 C ATOM 407 O HIS A 31 8.354 1.561 0.667 1.00 0.00 O ATOM 408 CB HIS A 31 7.857 -1.186 -0.966 1.00 0.00 C ATOM 409 CG HIS A 31 7.810 -2.673 -0.804 1.00 0.00 C ATOM 410 ND1 HIS A 31 8.239 -3.552 -1.776 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.366 -3.438 0.221 1.00 0.00 C ATOM 412 CE1 HIS A 31 8.060 -4.791 -1.357 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.532 -4.749 -0.147 1.00 0.00 N ATOM 0 H HIS A 31 8.512 -0.720 1.722 1.00 0.00 H new ATOM 0 HA HIS A 31 9.968 -0.765 -0.848 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.943 -0.757 -0.555 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.871 -0.947 -2.029 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.633 -3.286 -2.678 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.957 -3.082 1.155 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.304 -5.686 -1.909 1.00 0.00 H new ATOM 422 N TYR A 32 9.280 1.631 -1.384 1.00 0.00 N ATOM 423 CA TYR A 32 9.132 3.075 -1.522 1.00 0.00 C ATOM 424 C TYR A 32 7.858 3.392 -2.297 1.00 0.00 C ATOM 425 O TYR A 32 7.848 3.381 -3.528 1.00 0.00 O ATOM 426 CB TYR A 32 10.347 3.674 -2.233 1.00 0.00 C ATOM 427 CG TYR A 32 10.303 5.182 -2.348 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.708 5.989 -1.292 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.859 5.797 -3.512 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.669 7.366 -1.392 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.818 7.174 -3.618 1.00 0.00 C ATOM 432 CZ TYR A 32 10.224 7.954 -2.556 1.00 0.00 C ATOM 433 OH TYR A 32 10.184 9.326 -2.660 1.00 0.00 O ATOM 0 H TYR A 32 9.720 1.174 -2.183 1.00 0.00 H new ATOM 0 HA TYR A 32 9.064 3.517 -0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.250 3.386 -1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.420 3.244 -3.232 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.059 5.532 -0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.541 5.190 -4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.986 7.979 -0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.469 7.638 -4.529 1.00 0.00 H new ATOM 0 HH TYR A 32 9.847 9.577 -3.545 1.00 0.00 H new ATOM 443 N CYS A 33 6.782 3.668 -1.567 1.00 0.00 N ATOM 444 CA CYS A 33 5.495 3.966 -2.185 1.00 0.00 C ATOM 445 C CYS A 33 5.360 5.448 -2.517 1.00 0.00 C ATOM 446 O CYS A 33 6.080 6.290 -1.982 1.00 0.00 O ATOM 447 CB CYS A 33 4.356 3.533 -1.262 1.00 0.00 C ATOM 448 SG CYS A 33 4.297 1.754 -0.947 1.00 0.00 S ATOM 0 H CYS A 33 6.776 3.691 -0.547 1.00 0.00 H new ATOM 0 HA CYS A 33 5.439 3.407 -3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.454 4.056 -0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.408 3.845 -1.701 1.00 0.00 H new ATOM 0 HG CYS A 33 3.253 1.476 -0.224 1.00 0.00 H new ATOM 454 N ALA A 34 4.423 5.749 -3.411 1.00 0.00 N ATOM 455 CA ALA A 34 4.164 7.119 -3.834 1.00 0.00 C ATOM 456 C ALA A 34 2.873 7.188 -4.643 1.00 0.00 C ATOM 457 O ALA A 34 2.770 6.590 -5.713 1.00 0.00 O ATOM 458 CB ALA A 34 5.331 7.657 -4.646 1.00 0.00 C ATOM 0 H ALA A 34 3.826 5.054 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 34 4.050 7.740 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.119 8.681 -4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.236 7.640 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.476 7.036 -5.530 1.00 0.00 H new ATOM 464 N ILE A 35 1.892 7.921 -4.128 1.00 0.00 N ATOM 465 CA ILE A 35 0.608 8.055 -4.804 1.00 0.00 C ATOM 466 C ILE A 35 0.616 9.220 -5.786 1.00 0.00 C ATOM 467 O ILE A 35 0.641 10.384 -5.388 1.00 0.00 O ATOM 468 CB ILE A 35 -0.544 8.242 -3.793 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.703 6.979 -2.942 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.842 8.573 -4.516 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.777 7.088 -1.880 1.00 0.00 C ATOM 0 H ILE A 35 1.961 8.430 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 35 0.444 7.130 -5.357 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.303 9.077 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.936 6.139 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.249 6.754 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.642 8.701 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.717 9.495 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.097 7.760 -5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.830 6.155 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.536 7.906 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.739 7.281 -2.354 1.00 0.00 H new ATOM 483 N ALA A 36 0.595 8.891 -7.073 1.00 0.00 N ATOM 484 CA ALA A 36 0.596 9.897 -8.126 1.00 0.00 C ATOM 485 C ALA A 36 -0.791 10.044 -8.741 1.00 0.00 C ATOM 486 O ALA A 36 -1.395 9.060 -9.170 1.00 0.00 O ATOM 487 CB ALA A 36 1.613 9.535 -9.197 1.00 0.00 C ATOM 0 H ALA A 36 0.577 7.929 -7.412 1.00 0.00 H new ATOM 0 HA ALA A 36 0.874 10.854 -7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.604 10.295 -9.979 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.607 9.483 -8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.358 8.567 -9.629 1.00 0.00 H new ATOM 493 N ASP A 37 -1.287 11.277 -8.782 1.00 0.00 N ATOM 494 CA ASP A 37 -2.604 11.563 -9.344 1.00 0.00 C ATOM 495 C ASP A 37 -3.704 10.843 -8.566 1.00 0.00 C ATOM 496 O ASP A 37 -4.300 11.412 -7.651 1.00 0.00 O ATOM 497 CB ASP A 37 -2.656 11.163 -10.822 1.00 0.00 C ATOM 498 CG ASP A 37 -4.002 11.460 -11.455 1.00 0.00 C ATOM 499 OD1 ASP A 37 -4.184 12.587 -11.962 1.00 0.00 O ATOM 500 OD2 ASP A 37 -4.873 10.565 -11.445 1.00 0.00 O ATOM 0 H ASP A 37 -0.794 12.098 -8.431 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.775 12.636 -9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.876 11.695 -11.367 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.441 10.099 -10.915 1.00 0.00 H new ATOM 505 N ALA A 38 -3.969 9.591 -8.932 1.00 0.00 N ATOM 506 CA ALA A 38 -5.000 8.804 -8.263 1.00 0.00 C ATOM 507 C ALA A 38 -4.556 7.358 -8.051 1.00 0.00 C ATOM 508 O ALA A 38 -5.264 6.574 -7.418 1.00 0.00 O ATOM 509 CB ALA A 38 -6.294 8.846 -9.061 1.00 0.00 C ATOM 0 H ALA A 38 -3.486 9.102 -9.685 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.170 9.246 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.055 8.255 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.634 9.878 -9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.122 8.435 -10.056 1.00 0.00 H new ATOM 515 N LYS A 39 -3.389 7.007 -8.580 1.00 0.00 N ATOM 516 CA LYS A 39 -2.866 5.652 -8.445 1.00 0.00 C ATOM 517 C LYS A 39 -1.692 5.604 -7.473 1.00 0.00 C ATOM 518 O LYS A 39 -0.979 6.591 -7.295 1.00 0.00 O ATOM 519 CB LYS A 39 -2.431 5.110 -9.807 1.00 0.00 C ATOM 520 CG LYS A 39 -3.596 4.693 -10.690 1.00 0.00 C ATOM 521 CD LYS A 39 -3.122 3.980 -11.945 1.00 0.00 C ATOM 522 CE LYS A 39 -4.187 3.989 -13.030 1.00 0.00 C ATOM 523 NZ LYS A 39 -5.435 3.307 -12.592 1.00 0.00 N ATOM 0 H LYS A 39 -2.788 7.641 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.666 5.028 -8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.848 5.872 -10.324 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.774 4.253 -9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.262 4.038 -10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.175 5.573 -10.968 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.218 4.461 -12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.858 2.951 -11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.414 5.019 -13.306 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.799 3.498 -13.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.551 2.421 -13.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.377 3.096 -11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.250 3.927 -12.770 1.00 0.00 H new ATOM 537 N LEU A 40 -1.501 4.446 -6.849 1.00 0.00 N ATOM 538 CA LEU A 40 -0.409 4.255 -5.904 1.00 0.00 C ATOM 539 C LEU A 40 0.663 3.364 -6.518 1.00 0.00 C ATOM 540 O LEU A 40 0.421 2.193 -6.792 1.00 0.00 O ATOM 541 CB LEU A 40 -0.935 3.626 -4.611 1.00 0.00 C ATOM 542 CG LEU A 40 0.124 2.952 -3.734 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.150 3.967 -3.255 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.531 2.254 -2.552 1.00 0.00 C ATOM 0 H LEU A 40 -2.091 3.624 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 40 0.028 5.226 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.430 4.400 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.694 2.887 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 40 0.641 2.203 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.893 3.468 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.642 4.421 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.651 4.741 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.236 1.780 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.074 2.985 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.225 1.496 -2.916 1.00 0.00 H new ATOM 556 N SER A 41 1.854 3.915 -6.708 1.00 0.00 N ATOM 557 CA SER A 41 2.948 3.161 -7.305 1.00 0.00 C ATOM 558 C SER A 41 3.988 2.774 -6.259 1.00 0.00 C ATOM 559 O SER A 41 4.617 3.637 -5.646 1.00 0.00 O ATOM 560 CB SER A 41 3.600 3.979 -8.421 1.00 0.00 C ATOM 561 OG SER A 41 2.621 4.576 -9.253 1.00 0.00 O ATOM 0 H SER A 41 2.087 4.876 -6.459 1.00 0.00 H new ATOM 0 HA SER A 41 2.537 2.243 -7.726 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.234 4.752 -7.987 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.246 3.336 -9.018 1.00 0.00 H new ATOM 0 HG SER A 41 3.063 5.095 -9.957 1.00 0.00 H new ATOM 567 N PHE A 42 4.164 1.470 -6.063 1.00 0.00 N ATOM 568 CA PHE A 42 5.132 0.967 -5.095 1.00 0.00 C ATOM 569 C PHE A 42 6.426 0.558 -5.791 1.00 0.00 C ATOM 570 O PHE A 42 6.402 -0.091 -6.836 1.00 0.00 O ATOM 571 CB PHE A 42 4.547 -0.220 -4.320 1.00 0.00 C ATOM 572 CG PHE A 42 4.073 -1.347 -5.194 1.00 0.00 C ATOM 573 CD1 PHE A 42 2.773 -1.370 -5.675 1.00 0.00 C ATOM 574 CD2 PHE A 42 4.926 -2.385 -5.532 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.334 -2.407 -6.476 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.493 -3.424 -6.333 1.00 0.00 C ATOM 577 CZ PHE A 42 3.196 -3.435 -6.806 1.00 0.00 C ATOM 0 H PHE A 42 3.649 0.744 -6.561 1.00 0.00 H new ATOM 0 HA PHE A 42 5.358 1.767 -4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.303 -0.600 -3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.712 0.131 -3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.096 -0.568 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.942 -2.382 -5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.318 -2.414 -6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.168 -4.227 -6.589 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.856 -4.246 -7.433 1.00 0.00 H new ATOM 587 N SER A 43 7.556 0.944 -5.204 1.00 0.00 N ATOM 588 CA SER A 43 8.861 0.624 -5.772 1.00 0.00 C ATOM 589 C SER A 43 9.446 -0.635 -5.141 1.00 0.00 C ATOM 590 O SER A 43 9.011 -1.068 -4.073 1.00 0.00 O ATOM 591 CB SER A 43 9.824 1.798 -5.578 1.00 0.00 C ATOM 592 OG SER A 43 11.093 1.516 -6.140 1.00 0.00 O ATOM 0 H SER A 43 7.593 1.478 -4.336 1.00 0.00 H new ATOM 0 HA SER A 43 8.726 0.440 -6.838 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.409 2.693 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.933 2.011 -4.515 1.00 0.00 H new ATOM 0 HG SER A 43 11.689 2.282 -6.004 1.00 0.00 H new ATOM 598 N ASP A 44 10.435 -1.217 -5.813 1.00 0.00 N ATOM 599 CA ASP A 44 11.090 -2.426 -5.323 1.00 0.00 C ATOM 600 C ASP A 44 11.850 -2.144 -4.031 1.00 0.00 C ATOM 601 O ASP A 44 12.077 -0.987 -3.677 1.00 0.00 O ATOM 602 CB ASP A 44 12.048 -2.975 -6.382 1.00 0.00 C ATOM 603 CG ASP A 44 13.145 -1.989 -6.735 1.00 0.00 C ATOM 604 OD1 ASP A 44 12.932 -1.168 -7.651 1.00 0.00 O ATOM 605 OD2 ASP A 44 14.217 -2.039 -6.096 1.00 0.00 O ATOM 0 H ASP A 44 10.801 -0.870 -6.700 1.00 0.00 H new ATOM 0 HA ASP A 44 10.321 -3.171 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.497 -3.899 -6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.486 -3.226 -7.281 1.00 0.00 H new ATOM 610 N ASP A 45 12.236 -3.208 -3.329 1.00 0.00 N ATOM 611 CA ASP A 45 12.974 -3.075 -2.077 1.00 0.00 C ATOM 612 C ASP A 45 14.147 -2.110 -2.235 1.00 0.00 C ATOM 613 O ASP A 45 14.683 -1.945 -3.331 1.00 0.00 O ATOM 614 CB ASP A 45 13.485 -4.441 -1.619 1.00 0.00 C ATOM 615 CG ASP A 45 12.399 -5.499 -1.639 1.00 0.00 C ATOM 616 OD1 ASP A 45 11.473 -5.415 -0.806 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.472 -6.409 -2.491 1.00 0.00 O ATOM 0 H ASP A 45 12.049 -4.171 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 45 12.295 -2.674 -1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.306 -4.754 -2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.887 -4.356 -0.610 1.00 0.00 H new ATOM 622 N ILE A 46 14.538 -1.475 -1.134 1.00 0.00 N ATOM 623 CA ILE A 46 15.644 -0.524 -1.156 1.00 0.00 C ATOM 624 C ILE A 46 16.818 -1.013 -0.314 1.00 0.00 C ATOM 625 O ILE A 46 17.959 -0.604 -0.528 1.00 0.00 O ATOM 626 CB ILE A 46 15.201 0.860 -0.643 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.661 0.749 0.786 1.00 0.00 C ATOM 628 CG2 ILE A 46 14.151 1.454 -1.571 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.334 2.085 1.419 1.00 0.00 C ATOM 0 H ILE A 46 14.107 -1.601 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 46 15.962 -0.438 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 46 16.065 1.524 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.763 0.131 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.397 0.235 1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.846 2.432 -1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.569 1.562 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.284 0.794 -1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.957 1.926 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.234 2.698 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.575 2.593 0.824 1.00 0.00 H new ATOM 641 N GLU A 47 16.531 -1.889 0.644 1.00 0.00 N ATOM 642 CA GLU A 47 17.567 -2.429 1.519 1.00 0.00 C ATOM 643 C GLU A 47 17.535 -3.953 1.534 1.00 0.00 C ATOM 644 O GLU A 47 18.567 -4.603 1.698 1.00 0.00 O ATOM 645 CB GLU A 47 17.395 -1.887 2.939 1.00 0.00 C ATOM 646 CG GLU A 47 16.009 -2.124 3.517 1.00 0.00 C ATOM 647 CD GLU A 47 15.869 -1.596 4.931 1.00 0.00 C ATOM 648 OE1 GLU A 47 15.519 -0.408 5.089 1.00 0.00 O ATOM 649 OE2 GLU A 47 16.110 -2.371 5.881 1.00 0.00 O ATOM 0 H GLU A 47 15.592 -2.240 0.834 1.00 0.00 H new ATOM 0 HA GLU A 47 18.535 -2.113 1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.135 -2.353 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.601 -0.817 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.266 -1.645 2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.794 -3.193 3.509 1.00 0.00 H new ATOM 656 N GLN A 48 16.343 -4.519 1.363 1.00 0.00 N ATOM 657 CA GLN A 48 16.178 -5.968 1.357 1.00 0.00 C ATOM 658 C GLN A 48 15.924 -6.480 -0.059 1.00 0.00 C ATOM 659 O GLN A 48 15.131 -7.400 -0.264 1.00 0.00 O ATOM 660 CB GLN A 48 15.026 -6.373 2.276 1.00 0.00 C ATOM 661 CG GLN A 48 15.254 -6.003 3.734 1.00 0.00 C ATOM 662 CD GLN A 48 14.119 -6.445 4.637 1.00 0.00 C ATOM 663 OE1 GLN A 48 12.906 -6.476 4.097 1.00 0.00 O flip ATOM 664 NE2 GLN A 48 14.330 -6.752 5.811 1.00 0.00 N flip ATOM 0 H GLN A 48 15.478 -3.996 1.227 1.00 0.00 H new ATOM 0 HA GLN A 48 17.100 -6.417 1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.109 -5.897 1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.874 -7.450 2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.184 -6.457 4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.377 -4.923 3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.278 -6.714 6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.557 -7.044 6.409 1.00 0.00 H new ATOM 673 N THR A 49 16.609 -5.881 -1.028 1.00 0.00 N ATOM 674 CA THR A 49 16.462 -6.269 -2.425 1.00 0.00 C ATOM 675 C THR A 49 16.745 -7.755 -2.622 1.00 0.00 C ATOM 676 O THR A 49 17.653 -8.312 -2.005 1.00 0.00 O ATOM 677 CB THR A 49 17.403 -5.457 -3.335 1.00 0.00 C ATOM 678 OG1 THR A 49 18.768 -5.702 -2.974 1.00 0.00 O ATOM 679 CG2 THR A 49 17.105 -3.970 -3.229 1.00 0.00 C ATOM 0 H THR A 49 17.273 -5.123 -0.870 1.00 0.00 H new ATOM 0 HA THR A 49 15.428 -6.061 -2.700 1.00 0.00 H new ATOM 0 HB THR A 49 17.239 -5.773 -4.365 1.00 0.00 H new ATOM 0 HG1 THR A 49 19.359 -5.183 -3.559 1.00 0.00 H new ATOM 0 HG21 THR A 49 17.781 -3.416 -3.880 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.075 -3.783 -3.532 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.245 -3.643 -2.198 1.00 0.00 H new ATOM 687 N MET A 50 15.959 -8.391 -3.485 1.00 0.00 N ATOM 688 CA MET A 50 16.121 -9.813 -3.767 1.00 0.00 C ATOM 689 C MET A 50 16.965 -10.023 -5.020 1.00 0.00 C ATOM 690 O MET A 50 17.057 -11.136 -5.539 1.00 0.00 O ATOM 691 CB MET A 50 14.753 -10.477 -3.943 1.00 0.00 C ATOM 692 CG MET A 50 13.846 -10.332 -2.733 1.00 0.00 C ATOM 693 SD MET A 50 12.227 -11.083 -2.985 1.00 0.00 S ATOM 694 CE MET A 50 11.435 -10.715 -1.421 1.00 0.00 C ATOM 0 H MET A 50 15.202 -7.943 -4.002 1.00 0.00 H new ATOM 0 HA MET A 50 16.634 -10.272 -2.922 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.257 -10.044 -4.812 1.00 0.00 H new ATOM 0 HB3 MET A 50 14.897 -11.537 -4.153 1.00 0.00 H new ATOM 0 HG2 MET A 50 14.325 -10.791 -1.868 1.00 0.00 H new ATOM 0 HG3 MET A 50 13.720 -9.274 -2.503 1.00 0.00 H new ATOM 0 HE1 MET A 50 10.441 -11.163 -1.402 1.00 0.00 H new ATOM 0 HE2 MET A 50 12.032 -11.123 -0.606 1.00 0.00 H new ATOM 0 HE3 MET A 50 11.349 -9.635 -1.302 1.00 0.00 H new ATOM 704 N GLU A 51 17.578 -8.946 -5.500 1.00 0.00 N ATOM 705 CA GLU A 51 18.414 -9.008 -6.695 1.00 0.00 C ATOM 706 C GLU A 51 19.559 -9.999 -6.515 1.00 0.00 C ATOM 707 O GLU A 51 20.288 -9.948 -5.525 1.00 0.00 O ATOM 708 CB GLU A 51 18.977 -7.623 -7.021 1.00 0.00 C ATOM 709 CG GLU A 51 17.910 -6.596 -7.361 1.00 0.00 C ATOM 710 CD GLU A 51 18.487 -5.216 -7.611 1.00 0.00 C ATOM 711 OE1 GLU A 51 18.830 -4.917 -8.774 1.00 0.00 O ATOM 712 OE2 GLU A 51 18.597 -4.435 -6.643 1.00 0.00 O ATOM 0 H GLU A 51 17.512 -8.019 -5.080 1.00 0.00 H new ATOM 0 HA GLU A 51 17.790 -9.348 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.555 -7.265 -6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.667 -7.709 -7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.365 -6.924 -8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.190 -6.542 -6.545 1.00 0.00 H new ATOM 719 N GLU A 52 19.710 -10.900 -7.481 1.00 0.00 N ATOM 720 CA GLU A 52 20.771 -11.900 -7.434 1.00 0.00 C ATOM 721 C GLU A 52 22.130 -11.243 -7.640 1.00 0.00 C ATOM 722 O GLU A 52 22.972 -11.237 -6.743 1.00 0.00 O ATOM 723 CB GLU A 52 20.540 -12.968 -8.505 1.00 0.00 C ATOM 724 CG GLU A 52 21.544 -14.108 -8.454 1.00 0.00 C ATOM 725 CD GLU A 52 21.278 -15.168 -9.506 1.00 0.00 C ATOM 726 OE1 GLU A 52 21.808 -15.035 -10.629 1.00 0.00 O ATOM 727 OE2 GLU A 52 20.538 -16.128 -9.206 1.00 0.00 O ATOM 0 H GLU A 52 19.112 -10.958 -8.305 1.00 0.00 H new ATOM 0 HA GLU A 52 20.755 -12.374 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 52 19.535 -13.374 -8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 52 20.584 -12.500 -9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.549 -13.709 -8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 52 21.517 -14.567 -7.466 1.00 0.00 H new ATOM 734 N ASP A 53 22.330 -10.690 -8.829 1.00 0.00 N ATOM 735 CA ASP A 53 23.581 -10.019 -9.165 1.00 0.00 C ATOM 736 C ASP A 53 23.351 -8.523 -9.341 1.00 0.00 C ATOM 737 O ASP A 53 24.202 -7.811 -9.878 1.00 0.00 O ATOM 738 CB ASP A 53 24.177 -10.611 -10.443 1.00 0.00 C ATOM 739 CG ASP A 53 24.480 -12.090 -10.308 1.00 0.00 C ATOM 740 OD1 ASP A 53 25.606 -12.430 -9.888 1.00 0.00 O ATOM 741 OD2 ASP A 53 23.592 -12.910 -10.625 1.00 0.00 O ATOM 0 H ASP A 53 21.640 -10.693 -9.580 1.00 0.00 H new ATOM 0 HA ASP A 53 24.284 -10.172 -8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 53 23.482 -10.459 -11.269 1.00 0.00 H new ATOM 0 HB3 ASP A 53 25.093 -10.077 -10.695 1.00 0.00 H new ATOM 746 N ASN A 54 22.194 -8.054 -8.880 1.00 0.00 N ATOM 747 CA ASN A 54 21.835 -6.644 -8.984 1.00 0.00 C ATOM 748 C ASN A 54 21.884 -6.176 -10.437 1.00 0.00 C ATOM 749 O ASN A 54 22.724 -5.352 -10.804 1.00 0.00 O ATOM 750 CB ASN A 54 22.765 -5.788 -8.122 1.00 0.00 C ATOM 751 CG ASN A 54 22.723 -6.177 -6.657 1.00 0.00 C ATOM 752 OD1 ASN A 54 22.493 -7.337 -6.315 1.00 0.00 O ATOM 753 ND2 ASN A 54 22.944 -5.204 -5.780 1.00 0.00 N ATOM 0 H ASN A 54 21.487 -8.634 -8.429 1.00 0.00 H new ATOM 0 HA ASN A 54 20.814 -6.528 -8.619 1.00 0.00 H new ATOM 0 HB2 ASN A 54 23.786 -5.884 -8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 54 22.486 -4.739 -8.224 1.00 0.00 H new ATOM 0 HD21 ASN A 54 22.927 -5.405 -4.780 1.00 0.00 H new ATOM 0 HD22 ASN A 54 23.131 -4.256 -6.106 1.00 0.00 H new ATOM 760 N PRO A 55 20.983 -6.702 -11.287 1.00 0.00 N ATOM 761 CA PRO A 55 20.925 -6.337 -12.706 1.00 0.00 C ATOM 762 C PRO A 55 20.479 -4.894 -12.910 1.00 0.00 C ATOM 763 O PRO A 55 21.193 -4.090 -13.509 1.00 0.00 O ATOM 764 CB PRO A 55 19.887 -7.305 -13.296 1.00 0.00 C ATOM 765 CG PRO A 55 19.690 -8.359 -12.257 1.00 0.00 C ATOM 766 CD PRO A 55 19.957 -7.694 -10.941 1.00 0.00 C ATOM 0 HA PRO A 55 21.904 -6.409 -13.180 1.00 0.00 H new ATOM 0 HB2 PRO A 55 18.951 -6.791 -13.516 1.00 0.00 H new ATOM 0 HB3 PRO A 55 20.241 -7.737 -14.232 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.677 -8.759 -12.294 1.00 0.00 H new ATOM 0 HG3 PRO A 55 20.369 -9.196 -12.416 1.00 0.00 H new ATOM 0 HD2 PRO A 55 19.061 -7.226 -10.534 1.00 0.00 H new ATOM 0 HD3 PRO A 55 20.314 -8.403 -10.193 1.00 0.00 H new ATOM 774 N LEU A 56 19.292 -4.574 -12.407 1.00 0.00 N ATOM 775 CA LEU A 56 18.744 -3.228 -12.531 1.00 0.00 C ATOM 776 C LEU A 56 17.614 -3.007 -11.530 1.00 0.00 C ATOM 777 O LEU A 56 16.796 -3.898 -11.295 1.00 0.00 O ATOM 778 CB LEU A 56 18.234 -2.989 -13.953 1.00 0.00 C ATOM 779 CG LEU A 56 17.722 -1.574 -14.228 1.00 0.00 C ATOM 780 CD1 LEU A 56 18.864 -0.570 -14.163 1.00 0.00 C ATOM 781 CD2 LEU A 56 17.027 -1.511 -15.579 1.00 0.00 C ATOM 0 H LEU A 56 18.690 -5.229 -11.909 1.00 0.00 H new ATOM 0 HA LEU A 56 19.542 -2.518 -12.315 1.00 0.00 H new ATOM 0 HB2 LEU A 56 19.039 -3.210 -14.653 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.430 -3.696 -14.158 1.00 0.00 H new ATOM 0 HG LEU A 56 16.996 -1.315 -13.458 1.00 0.00 H new ATOM 0 HD11 LEU A 56 18.480 0.431 -14.361 1.00 0.00 H new ATOM 0 HD12 LEU A 56 19.315 -0.596 -13.171 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.616 -0.825 -14.910 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.669 -0.497 -15.757 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.730 -1.791 -16.363 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.182 -2.200 -15.586 1.00 0.00 H new ATOM 793 N GLY A 57 17.576 -1.815 -10.943 1.00 0.00 N ATOM 794 CA GLY A 57 16.543 -1.496 -9.975 1.00 0.00 C ATOM 795 C GLY A 57 15.979 -0.102 -10.167 1.00 0.00 C ATOM 796 O GLY A 57 16.250 0.799 -9.374 1.00 0.00 O ATOM 0 H GLY A 57 18.243 -1.064 -11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.737 -2.225 -10.055 1.00 0.00 H new ATOM 0 HA3 GLY A 57 16.953 -1.583 -8.969 1.00 0.00 H new ATOM 800 N SER A 58 15.193 0.075 -11.225 1.00 0.00 N ATOM 801 CA SER A 58 14.589 1.368 -11.522 1.00 0.00 C ATOM 802 C SER A 58 13.393 1.633 -10.614 1.00 0.00 C ATOM 803 O SER A 58 12.808 0.705 -10.055 1.00 0.00 O ATOM 804 CB SER A 58 14.155 1.426 -12.987 1.00 0.00 C ATOM 805 OG SER A 58 13.575 2.681 -13.299 1.00 0.00 O ATOM 0 H SER A 58 14.960 -0.662 -11.891 1.00 0.00 H new ATOM 0 HA SER A 58 15.337 2.140 -11.340 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.016 1.250 -13.632 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.438 0.630 -13.189 1.00 0.00 H new ATOM 0 HG SER A 58 13.308 2.693 -14.242 1.00 0.00 H new ATOM 811 N LEU A 59 13.035 2.906 -10.472 1.00 0.00 N ATOM 812 CA LEU A 59 11.908 3.297 -9.633 1.00 0.00 C ATOM 813 C LEU A 59 10.604 2.718 -10.173 1.00 0.00 C ATOM 814 O LEU A 59 10.533 2.295 -11.327 1.00 0.00 O ATOM 815 CB LEU A 59 11.808 4.823 -9.556 1.00 0.00 C ATOM 816 CG LEU A 59 11.897 5.417 -8.146 1.00 0.00 C ATOM 817 CD1 LEU A 59 10.746 4.926 -7.281 1.00 0.00 C ATOM 818 CD2 LEU A 59 13.232 5.072 -7.503 1.00 0.00 C ATOM 0 H LEU A 59 13.510 3.685 -10.928 1.00 0.00 H new ATOM 0 HA LEU A 59 12.076 2.900 -8.632 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.604 5.253 -10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.863 5.131 -10.003 1.00 0.00 H new ATOM 0 HG LEU A 59 11.824 6.501 -8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.829 5.360 -6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.799 5.227 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.784 3.839 -7.208 1.00 0.00 H new ATOM 0 HD21 LEU A 59 13.276 5.503 -6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.335 3.989 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.043 5.477 -8.108 1.00 0.00 H new ATOM 830 N CYS A 60 9.577 2.705 -9.328 1.00 0.00 N ATOM 831 CA CYS A 60 8.268 2.184 -9.708 1.00 0.00 C ATOM 832 C CYS A 60 8.350 0.710 -10.093 1.00 0.00 C ATOM 833 O CYS A 60 8.719 0.369 -11.218 1.00 0.00 O ATOM 834 CB CYS A 60 7.684 2.997 -10.866 1.00 0.00 C ATOM 835 SG CYS A 60 7.455 4.751 -10.495 1.00 0.00 S ATOM 0 H CYS A 60 9.627 3.052 -8.370 1.00 0.00 H new ATOM 0 HA CYS A 60 7.610 2.274 -8.843 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.342 2.902 -11.730 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.723 2.568 -11.148 1.00 0.00 H new ATOM 0 HG CYS A 60 6.959 5.353 -11.535 1.00 0.00 H new ATOM 841 N ARG A 61 8.005 -0.159 -9.149 1.00 0.00 N ATOM 842 CA ARG A 61 8.030 -1.598 -9.381 1.00 0.00 C ATOM 843 C ARG A 61 6.664 -2.087 -9.846 1.00 0.00 C ATOM 844 O ARG A 61 6.559 -3.064 -10.589 1.00 0.00 O ATOM 845 CB ARG A 61 8.441 -2.332 -8.102 1.00 0.00 C ATOM 846 CG ARG A 61 8.545 -3.840 -8.267 1.00 0.00 C ATOM 847 CD ARG A 61 9.722 -4.225 -9.148 1.00 0.00 C ATOM 848 NE ARG A 61 9.778 -5.664 -9.392 1.00 0.00 N ATOM 849 CZ ARG A 61 10.707 -6.249 -10.141 1.00 0.00 C ATOM 850 NH1 ARG A 61 11.654 -5.522 -10.718 1.00 0.00 N ATOM 851 NH2 ARG A 61 10.689 -7.564 -10.314 1.00 0.00 N ATOM 0 H ARG A 61 7.704 0.110 -8.212 1.00 0.00 H new ATOM 0 HA ARG A 61 8.761 -1.809 -10.162 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.403 -1.945 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.717 -2.111 -7.318 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.654 -4.307 -7.288 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.622 -4.224 -8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.649 -3.699 -10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.649 -3.902 -8.675 1.00 0.00 H new ATOM 0 HE ARG A 61 9.064 -6.253 -8.963 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.671 -4.511 -10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.365 -5.974 -11.292 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.962 -8.127 -9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.402 -8.013 -10.889 1.00 0.00 H new ATOM 865 N GLY A 62 5.619 -1.397 -9.401 1.00 0.00 N ATOM 866 CA GLY A 62 4.266 -1.763 -9.774 1.00 0.00 C ATOM 867 C GLY A 62 3.261 -0.690 -9.406 1.00 0.00 C ATOM 868 O GLY A 62 3.483 0.079 -8.471 1.00 0.00 O ATOM 0 H GLY A 62 5.687 -0.587 -8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.224 -1.945 -10.848 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.995 -2.697 -9.281 1.00 0.00 H new ATOM 872 N ILE A 63 2.154 -0.636 -10.139 1.00 0.00 N ATOM 873 CA ILE A 63 1.118 0.356 -9.879 1.00 0.00 C ATOM 874 C ILE A 63 -0.144 -0.292 -9.319 1.00 0.00 C ATOM 875 O ILE A 63 -0.514 -1.400 -9.708 1.00 0.00 O ATOM 876 CB ILE A 63 0.758 1.145 -11.155 1.00 0.00 C ATOM 877 CG1 ILE A 63 1.996 1.862 -11.702 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.356 2.142 -10.866 1.00 0.00 C ATOM 879 CD1 ILE A 63 1.734 2.657 -12.963 1.00 0.00 C ATOM 0 H ILE A 63 1.952 -1.266 -10.916 1.00 0.00 H new ATOM 0 HA ILE A 63 1.524 1.045 -9.139 1.00 0.00 H new ATOM 0 HB ILE A 63 0.403 0.444 -11.911 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.385 2.532 -10.935 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.772 1.124 -11.904 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.598 2.691 -11.776 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.240 1.609 -10.517 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.028 2.842 -10.097 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.657 3.136 -13.290 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.375 1.989 -13.746 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.981 3.419 -12.763 1.00 0.00 H new ATOM 891 N LEU A 64 -0.797 0.413 -8.402 1.00 0.00 N ATOM 892 CA LEU A 64 -2.019 -0.072 -7.778 1.00 0.00 C ATOM 893 C LEU A 64 -3.191 0.834 -8.142 1.00 0.00 C ATOM 894 O LEU A 64 -3.434 1.843 -7.479 1.00 0.00 O ATOM 895 CB LEU A 64 -1.848 -0.123 -6.254 1.00 0.00 C ATOM 896 CG LEU A 64 -2.764 -1.101 -5.509 1.00 0.00 C ATOM 897 CD1 LEU A 64 -4.220 -0.682 -5.635 1.00 0.00 C ATOM 898 CD2 LEU A 64 -2.562 -2.519 -6.021 1.00 0.00 C ATOM 0 H LEU A 64 -0.496 1.330 -8.073 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.225 -1.078 -8.145 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.813 -0.384 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.016 0.877 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.499 -1.079 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.850 -1.391 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.350 0.313 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.505 -0.667 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.221 -3.198 -5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.795 -2.558 -7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.525 -2.818 -5.865 1.00 0.00 H new ATOM 910 N ASP A 65 -3.904 0.477 -9.205 1.00 0.00 N ATOM 911 CA ASP A 65 -5.053 1.257 -9.651 1.00 0.00 C ATOM 912 C ASP A 65 -6.057 1.427 -8.515 1.00 0.00 C ATOM 913 O ASP A 65 -6.865 0.539 -8.252 1.00 0.00 O ATOM 914 CB ASP A 65 -5.725 0.575 -10.845 1.00 0.00 C ATOM 915 CG ASP A 65 -5.781 -0.932 -10.693 1.00 0.00 C ATOM 916 OD1 ASP A 65 -6.701 -1.427 -10.011 1.00 0.00 O ATOM 917 OD2 ASP A 65 -4.902 -1.618 -11.255 1.00 0.00 O ATOM 0 H ASP A 65 -3.707 -0.347 -9.773 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.702 2.242 -9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.737 0.964 -10.960 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.182 0.826 -11.756 1.00 0.00 H new ATOM 922 N LEU A 66 -6.000 2.573 -7.845 1.00 0.00 N ATOM 923 CA LEU A 66 -6.897 2.856 -6.729 1.00 0.00 C ATOM 924 C LEU A 66 -8.311 3.168 -7.213 1.00 0.00 C ATOM 925 O LEU A 66 -9.093 3.803 -6.505 1.00 0.00 O ATOM 926 CB LEU A 66 -6.354 4.024 -5.905 1.00 0.00 C ATOM 927 CG LEU A 66 -4.974 3.793 -5.288 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.444 5.077 -4.668 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.030 2.681 -4.251 1.00 0.00 C ATOM 0 H LEU A 66 -5.341 3.323 -8.055 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.947 1.964 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.307 4.908 -6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.061 4.244 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.291 3.487 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.461 4.893 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.363 5.846 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.127 5.414 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.038 2.532 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.728 2.956 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.363 1.758 -4.725 1.00 0.00 H new ATOM 941 N ASN A 67 -8.636 2.713 -8.419 1.00 0.00 N ATOM 942 CA ASN A 67 -9.956 2.941 -8.991 1.00 0.00 C ATOM 943 C ASN A 67 -10.780 1.655 -8.997 1.00 0.00 C ATOM 944 O ASN A 67 -11.991 1.686 -9.211 1.00 0.00 O ATOM 945 CB ASN A 67 -9.831 3.486 -10.416 1.00 0.00 C ATOM 946 CG ASN A 67 -9.076 4.801 -10.471 1.00 0.00 C ATOM 947 OD1 ASN A 67 -9.198 5.600 -9.417 1.00 0.00 O flip ATOM 948 ND2 ASN A 67 -8.392 5.095 -11.451 1.00 0.00 N flip ATOM 0 H ASN A 67 -8.002 2.184 -9.018 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.469 3.676 -8.371 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.321 2.751 -11.039 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.827 3.625 -10.837 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.327 4.451 -12.239 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.891 5.983 -11.475 1.00 0.00 H new ATOM 955 N THR A 68 -10.116 0.525 -8.759 1.00 0.00 N ATOM 956 CA THR A 68 -10.794 -0.767 -8.741 1.00 0.00 C ATOM 957 C THR A 68 -10.286 -1.653 -7.604 1.00 0.00 C ATOM 958 O THR A 68 -9.718 -2.719 -7.841 1.00 0.00 O ATOM 959 CB THR A 68 -10.617 -1.517 -10.076 1.00 0.00 C ATOM 960 OG1 THR A 68 -9.231 -1.798 -10.302 1.00 0.00 O ATOM 961 CG2 THR A 68 -11.166 -0.700 -11.235 1.00 0.00 C ATOM 0 H THR A 68 -9.113 0.479 -8.577 1.00 0.00 H new ATOM 0 HA THR A 68 -11.852 -0.557 -8.585 1.00 0.00 H new ATOM 0 HB THR A 68 -11.173 -2.453 -10.015 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.684 -1.260 -9.692 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.029 -1.251 -12.166 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.228 -0.513 -11.077 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.635 0.250 -11.294 1.00 0.00 H new ATOM 969 N TYR A 69 -10.494 -1.203 -6.370 1.00 0.00 N ATOM 970 CA TYR A 69 -10.068 -1.959 -5.194 1.00 0.00 C ATOM 971 C TYR A 69 -10.931 -1.613 -3.984 1.00 0.00 C ATOM 972 O TYR A 69 -11.741 -0.687 -4.028 1.00 0.00 O ATOM 973 CB TYR A 69 -8.600 -1.679 -4.861 1.00 0.00 C ATOM 974 CG TYR A 69 -7.615 -2.578 -5.575 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.318 -3.841 -5.081 1.00 0.00 C ATOM 976 CD2 TYR A 69 -6.973 -2.161 -6.734 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.410 -4.665 -5.722 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.066 -2.978 -7.381 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.789 -4.228 -6.871 1.00 0.00 C ATOM 980 OH TYR A 69 -4.885 -5.044 -7.512 1.00 0.00 O ATOM 0 H TYR A 69 -10.955 -0.318 -6.157 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.184 -3.017 -5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.375 -0.642 -5.111 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.457 -1.786 -3.786 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.804 -4.186 -4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.186 -1.182 -7.136 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.190 -5.644 -5.324 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.576 -2.639 -8.282 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.538 -4.587 -8.307 1.00 0.00 H new ATOM 990 N ASN A 70 -10.748 -2.367 -2.906 1.00 0.00 N ATOM 991 CA ASN A 70 -11.495 -2.147 -1.672 1.00 0.00 C ATOM 992 C ASN A 70 -10.569 -2.267 -0.465 1.00 0.00 C ATOM 993 O ASN A 70 -9.813 -3.230 -0.347 1.00 0.00 O ATOM 994 CB ASN A 70 -12.643 -3.152 -1.559 1.00 0.00 C ATOM 995 CG ASN A 70 -13.697 -2.946 -2.629 1.00 0.00 C ATOM 996 OD1 ASN A 70 -13.992 -1.816 -3.016 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.267 -4.042 -3.118 1.00 0.00 N ATOM 0 H ASN A 70 -10.085 -3.141 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.913 -1.141 -1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.245 -4.164 -1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.105 -3.063 -0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.980 -3.966 -3.844 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.992 -4.960 -2.768 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.636 -1.291 0.431 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.790 -1.288 1.617 1.00 0.00 C ATOM 1006 C VAL A 71 -10.521 -1.869 2.824 1.00 0.00 C ATOM 1007 O VAL A 71 -11.643 -1.471 3.136 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.310 0.138 1.957 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.429 0.128 3.196 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.572 0.749 0.776 1.00 0.00 C ATOM 0 H VAL A 71 -11.266 -0.492 0.359 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.926 -1.913 1.389 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.185 0.753 2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.102 1.144 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.995 -0.264 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.558 -0.503 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.241 1.755 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.706 0.134 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.239 0.797 -0.085 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.871 -2.814 3.498 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.444 -3.455 4.675 1.00 0.00 C ATOM 1022 C VAL A 72 -9.415 -3.550 5.797 1.00 0.00 C ATOM 1023 O VAL A 72 -8.358 -4.160 5.633 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.975 -4.866 4.352 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.393 -4.792 3.805 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -10.055 -5.579 3.376 1.00 0.00 C ATOM 0 H VAL A 72 -8.943 -3.153 3.246 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.279 -2.834 5.000 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.996 -5.443 5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.750 -5.798 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.045 -4.331 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.401 -4.195 2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.450 -6.572 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.993 -5.007 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.061 -5.670 3.813 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.733 -2.945 6.936 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.834 -2.950 8.085 1.00 0.00 C ATOM 1038 C LYS A 73 -8.830 -4.306 8.784 1.00 0.00 C ATOM 1039 O LYS A 73 -9.778 -4.654 9.488 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.237 -1.857 9.077 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.367 -1.815 10.324 1.00 0.00 C ATOM 1042 CD LYS A 73 -8.817 -0.724 11.286 1.00 0.00 C ATOM 1043 CE LYS A 73 -10.196 -1.013 11.856 1.00 0.00 C ATOM 1044 NZ LYS A 73 -10.234 -2.305 12.594 1.00 0.00 N ATOM 0 H LYS A 73 -10.608 -2.444 7.089 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.826 -2.753 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.189 -0.889 8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.275 -2.011 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.404 -2.782 10.826 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.329 -1.643 10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.097 -0.637 12.100 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.831 0.235 10.768 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.488 -0.204 12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.926 -1.036 11.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.088 -2.341 13.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.250 -3.092 11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.390 -2.385 13.197 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.760 -5.066 8.581 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.625 -6.377 9.206 1.00 0.00 C ATOM 1060 C ALA A 74 -7.088 -6.240 10.632 1.00 0.00 C ATOM 1061 O ALA A 74 -5.994 -5.705 10.840 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.710 -7.267 8.378 1.00 0.00 C ATOM 0 H ALA A 74 -6.974 -4.798 7.989 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.611 -6.840 9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.619 -8.242 8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.129 -7.391 7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.725 -6.806 8.303 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.847 -6.730 11.634 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.447 -6.655 13.043 1.00 0.00 C ATOM 1070 C PRO A 75 -6.414 -7.710 13.420 1.00 0.00 C ATOM 1071 O PRO A 75 -6.281 -8.731 12.745 1.00 0.00 O ATOM 1072 CB PRO A 75 -8.757 -6.907 13.778 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.491 -7.830 12.879 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.158 -7.392 11.479 1.00 0.00 C ATOM 0 HA PRO A 75 -6.971 -5.704 13.284 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.587 -7.353 14.758 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.310 -5.982 13.940 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.188 -8.863 13.048 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.565 -7.779 13.059 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.103 -8.239 10.795 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.909 -6.709 11.081 1.00 0.00 H new ATOM 1082 N GLN A 76 -5.684 -7.451 14.502 1.00 0.00 N ATOM 1083 CA GLN A 76 -4.657 -8.373 14.979 1.00 0.00 C ATOM 1084 C GLN A 76 -3.602 -8.613 13.906 1.00 0.00 C ATOM 1085 O GLN A 76 -2.761 -9.504 14.033 1.00 0.00 O ATOM 1086 CB GLN A 76 -5.288 -9.701 15.400 1.00 0.00 C ATOM 1087 CG GLN A 76 -6.392 -9.543 16.430 1.00 0.00 C ATOM 1088 CD GLN A 76 -6.870 -10.873 16.982 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -6.108 -11.835 17.062 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -8.139 -10.930 17.368 1.00 0.00 N ATOM 0 H GLN A 76 -5.785 -6.607 15.066 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.172 -7.921 15.844 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.692 -10.199 14.518 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.513 -10.351 15.806 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.032 -8.922 17.250 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.233 -9.018 15.978 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.735 -10.107 17.283 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.518 -11.797 17.749 1.00 0.00 H new ATOM 1099 N GLY A 77 -3.651 -7.806 12.851 1.00 0.00 N ATOM 1100 CA GLY A 77 -2.701 -7.942 11.764 1.00 0.00 C ATOM 1101 C GLY A 77 -2.748 -9.312 11.120 1.00 0.00 C ATOM 1102 O GLY A 77 -3.616 -10.126 11.436 1.00 0.00 O ATOM 0 H GLY A 77 -4.334 -7.058 12.730 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.906 -7.182 11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.695 -7.755 12.140 1.00 0.00 H new ATOM 1106 N LYS A 78 -1.812 -9.568 10.214 1.00 0.00 N ATOM 1107 CA LYS A 78 -1.745 -10.850 9.525 1.00 0.00 C ATOM 1108 C LYS A 78 -0.303 -11.340 9.445 1.00 0.00 C ATOM 1109 O LYS A 78 0.631 -10.538 9.436 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.343 -10.732 8.121 1.00 0.00 C ATOM 1111 CG LYS A 78 -2.331 -12.037 7.341 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.015 -11.894 5.990 1.00 0.00 C ATOM 1113 CE LYS A 78 -4.504 -11.631 6.141 1.00 0.00 C ATOM 1114 NZ LYS A 78 -5.207 -11.657 4.829 1.00 0.00 N ATOM 0 H LYS A 78 -1.088 -8.904 9.939 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.326 -11.576 10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.370 -10.376 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.788 -9.979 7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.301 -12.363 7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.831 -12.812 7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.555 -11.077 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.863 -12.802 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.940 -12.380 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.655 -10.661 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.229 -11.541 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.855 -10.882 4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.028 -12.566 4.357 1.00 0.00 H new ATOM 1128 N ASN A 79 -0.133 -12.660 9.393 1.00 0.00 N ATOM 1129 CA ASN A 79 1.193 -13.270 9.313 1.00 0.00 C ATOM 1130 C ASN A 79 1.975 -13.059 10.608 1.00 0.00 C ATOM 1131 O ASN A 79 2.047 -13.954 11.450 1.00 0.00 O ATOM 1132 CB ASN A 79 1.975 -12.703 8.125 1.00 0.00 C ATOM 1133 CG ASN A 79 1.218 -12.839 6.819 1.00 0.00 C ATOM 1134 OD1 ASN A 79 0.472 -13.797 6.617 1.00 0.00 O ATOM 1135 ND2 ASN A 79 1.403 -11.875 5.925 1.00 0.00 N ATOM 0 H ASN A 79 -0.901 -13.331 9.405 1.00 0.00 H new ATOM 0 HA ASN A 79 1.059 -14.342 9.166 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.195 -11.651 8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.932 -13.219 8.043 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.917 -11.910 5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.031 -11.099 6.134 1.00 0.00 H new ATOM 1142 N GLN A 80 2.558 -11.875 10.760 1.00 0.00 N ATOM 1143 CA GLN A 80 3.335 -11.550 11.953 1.00 0.00 C ATOM 1144 C GLN A 80 3.136 -10.091 12.350 1.00 0.00 C ATOM 1145 O GLN A 80 3.927 -9.531 13.111 1.00 0.00 O ATOM 1146 CB GLN A 80 4.820 -11.825 11.706 1.00 0.00 C ATOM 1147 CG GLN A 80 5.140 -13.293 11.477 1.00 0.00 C ATOM 1148 CD GLN A 80 6.616 -13.537 11.231 1.00 0.00 C ATOM 1149 OE1 GLN A 80 7.082 -13.509 10.093 1.00 0.00 O ATOM 1150 NE2 GLN A 80 7.362 -13.781 12.304 1.00 0.00 N ATOM 0 H GLN A 80 2.508 -11.123 10.072 1.00 0.00 H new ATOM 0 HA GLN A 80 2.985 -12.181 12.770 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.147 -11.251 10.839 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.394 -11.466 12.560 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.820 -13.870 12.344 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.568 -13.657 10.623 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.934 -13.795 13.230 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.362 -13.954 12.201 1.00 0.00 H new ATOM 1159 N LYS A 81 2.074 -9.485 11.835 1.00 0.00 N ATOM 1160 CA LYS A 81 1.769 -8.089 12.125 1.00 0.00 C ATOM 1161 C LYS A 81 0.607 -7.963 13.106 1.00 0.00 C ATOM 1162 O LYS A 81 -0.012 -8.958 13.485 1.00 0.00 O ATOM 1163 CB LYS A 81 1.429 -7.356 10.828 1.00 0.00 C ATOM 1164 CG LYS A 81 2.605 -7.229 9.881 1.00 0.00 C ATOM 1165 CD LYS A 81 3.654 -6.276 10.423 1.00 0.00 C ATOM 1166 CE LYS A 81 4.864 -6.208 9.512 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.833 -5.165 9.947 1.00 0.00 N ATOM 0 H LYS A 81 1.407 -9.940 11.212 1.00 0.00 H new ATOM 0 HA LYS A 81 2.649 -7.640 12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.621 -7.884 10.322 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.057 -6.360 11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.052 -8.210 9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.256 -6.875 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.222 -5.281 10.532 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.963 -6.600 11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.360 -7.179 9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.539 -5.998 8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.645 -5.152 9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.368 -4.235 9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.164 -5.378 10.910 1.00 0.00 H new ATOM 1181 N SER A 82 0.322 -6.728 13.512 1.00 0.00 N ATOM 1182 CA SER A 82 -0.772 -6.453 14.439 1.00 0.00 C ATOM 1183 C SER A 82 -1.783 -5.511 13.794 1.00 0.00 C ATOM 1184 O SER A 82 -2.963 -5.506 14.144 1.00 0.00 O ATOM 1185 CB SER A 82 -0.233 -5.839 15.732 1.00 0.00 C ATOM 1186 OG SER A 82 0.451 -4.625 15.476 1.00 0.00 O ATOM 0 H SER A 82 0.836 -5.899 13.212 1.00 0.00 H new ATOM 0 HA SER A 82 -1.268 -7.393 14.679 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.057 -5.657 16.422 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.441 -6.544 16.219 1.00 0.00 H new ATOM 0 HG SER A 82 -0.152 -3.870 15.636 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.300 -4.713 12.848 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.138 -3.765 12.123 1.00 0.00 C ATOM 1194 C PHE A 83 -1.965 -3.974 10.622 1.00 0.00 C ATOM 1195 O PHE A 83 -0.968 -3.540 10.043 1.00 0.00 O ATOM 1196 CB PHE A 83 -1.764 -2.329 12.493 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.520 -2.118 13.959 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.521 -2.358 14.888 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.287 -1.674 14.409 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.295 -2.161 16.237 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.055 -1.474 15.756 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.061 -1.718 16.671 1.00 0.00 C ATOM 0 H PHE A 83 -0.321 -4.705 12.563 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.179 -3.935 12.397 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.868 -2.045 11.942 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.563 -1.662 12.169 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.488 -2.703 14.554 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.503 -1.482 13.698 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.082 -2.353 16.951 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.911 -1.128 16.093 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.883 -1.562 17.725 1.00 0.00 H new ATOM 1212 N VAL A 84 -2.928 -4.642 9.991 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.837 -4.915 8.561 1.00 0.00 C ATOM 1214 C VAL A 84 -4.108 -4.522 7.816 1.00 0.00 C ATOM 1215 O VAL A 84 -5.208 -4.593 8.358 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.547 -6.412 8.302 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.806 -6.783 6.847 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.121 -6.755 8.693 1.00 0.00 C ATOM 0 H VAL A 84 -3.770 -5.000 10.442 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.014 -4.308 8.184 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.228 -6.995 8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.593 -7.842 6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.849 -6.585 6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.161 -6.188 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.936 -7.812 8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.428 -6.154 8.104 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.974 -6.545 9.752 1.00 0.00 H new ATOM 1228 N PHE A 85 -3.930 -4.096 6.571 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.038 -3.721 5.705 1.00 0.00 C ATOM 1230 C PHE A 85 -4.970 -4.546 4.429 1.00 0.00 C ATOM 1231 O PHE A 85 -3.886 -4.951 4.008 1.00 0.00 O ATOM 1232 CB PHE A 85 -4.994 -2.229 5.371 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.522 -1.344 6.462 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -4.893 -1.288 7.694 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.647 -0.564 6.251 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.378 -0.469 8.697 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.137 0.255 7.248 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.501 0.304 8.473 1.00 0.00 C ATOM 0 H PHE A 85 -3.013 -4.001 6.135 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.976 -3.918 6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.964 -1.946 5.154 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.571 -2.053 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.015 -1.890 7.874 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.147 -0.597 5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.880 -0.434 9.654 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.016 0.857 7.071 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.881 0.945 9.254 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.114 -4.798 3.810 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.139 -5.599 2.595 1.00 0.00 C ATOM 1250 C ILE A 86 -6.889 -4.910 1.463 1.00 0.00 C ATOM 1251 O ILE A 86 -7.971 -4.357 1.658 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.785 -6.974 2.850 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -6.055 -7.705 3.979 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.779 -7.809 1.576 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.725 -8.995 4.398 1.00 0.00 C ATOM 0 H ILE A 86 -7.026 -4.465 4.123 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.099 -5.727 2.296 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.821 -6.821 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.035 -7.922 3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.985 -7.044 4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.239 -8.777 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.342 -7.292 0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.752 -7.956 1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.152 -9.458 5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.735 -8.783 4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.771 -9.674 3.547 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.292 -4.948 0.279 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.900 -4.368 -0.908 1.00 0.00 C ATOM 1269 C LEU A 87 -7.594 -5.462 -1.710 1.00 0.00 C ATOM 1270 O LEU A 87 -6.985 -6.479 -2.043 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.849 -3.668 -1.775 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.386 -2.300 -1.268 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.355 -1.705 -2.216 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.569 -1.357 -1.112 1.00 0.00 C ATOM 0 H LEU A 87 -5.381 -5.378 0.116 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.632 -3.623 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.979 -4.319 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.254 -3.546 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.924 -2.435 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.035 -0.732 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.494 -2.370 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.796 -1.586 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.218 -0.390 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.061 -1.228 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.277 -1.777 -0.397 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.866 -5.250 -2.017 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.640 -6.229 -2.765 1.00 0.00 C ATOM 1288 C GLU A 88 -10.016 -5.678 -4.137 1.00 0.00 C ATOM 1289 O GLU A 88 -10.838 -4.768 -4.241 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.897 -6.619 -1.985 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.604 -7.215 -0.617 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.864 -7.574 0.145 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.343 -8.718 -0.006 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.372 -6.713 0.892 1.00 0.00 O ATOM 0 H GLU A 88 -9.383 -4.409 -1.760 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.027 -7.119 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.526 -5.737 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.469 -7.339 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.990 -8.108 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.021 -6.504 -0.032 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.426 -6.230 -5.211 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.689 -5.772 -6.579 1.00 0.00 C ATOM 1303 C PRO A 89 -11.166 -5.814 -6.940 1.00 0.00 C ATOM 1304 O PRO A 89 -11.918 -6.651 -6.441 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.899 -6.750 -7.454 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.606 -7.915 -6.572 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.477 -7.354 -5.189 1.00 0.00 C ATOM 0 HA PRO A 89 -9.395 -4.731 -6.711 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.477 -7.053 -8.327 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.980 -6.294 -7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.405 -8.654 -6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.688 -8.417 -6.878 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.736 -8.089 -4.427 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.460 -7.022 -4.979 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.572 -4.898 -7.812 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.956 -4.821 -8.254 1.00 0.00 C ATOM 1317 C LYS A 90 -13.052 -5.097 -9.749 1.00 0.00 C ATOM 1318 O LYS A 90 -14.131 -5.018 -10.337 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.537 -3.441 -7.942 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.470 -3.068 -6.469 1.00 0.00 C ATOM 1321 CD LYS A 90 -13.998 -1.664 -6.223 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.488 -1.564 -6.515 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.013 -0.194 -6.264 1.00 0.00 N ATOM 0 H LYS A 90 -10.958 -4.197 -8.227 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.531 -5.577 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.000 -2.691 -8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.577 -3.412 -8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.050 -3.783 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.439 -3.135 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.810 -1.381 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.456 -0.956 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.674 -1.839 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.028 -2.279 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.031 -0.168 -6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.859 0.059 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.516 0.486 -6.874 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.915 -5.422 -10.360 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.875 -5.704 -11.791 1.00 0.00 C ATOM 1339 C GLN A 91 -12.647 -6.977 -12.115 1.00 0.00 C ATOM 1340 O GLN A 91 -13.656 -6.943 -12.821 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.427 -5.837 -12.272 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.490 -4.797 -11.681 1.00 0.00 C ATOM 1343 CD GLN A 91 -8.087 -4.885 -12.250 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -7.895 -5.282 -13.399 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -7.099 -4.516 -11.445 1.00 0.00 N ATOM 0 H GLN A 91 -11.014 -5.496 -9.888 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.346 -4.870 -12.311 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.059 -6.831 -12.018 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.406 -5.757 -13.359 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.893 -3.802 -11.869 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -9.448 -4.924 -10.599 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.305 -4.193 -10.500 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.133 -4.555 -11.772 1.00 0.00 H new ATOM 1354 N GLN A 92 -12.164 -8.099 -11.594 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.802 -9.389 -11.824 1.00 0.00 C ATOM 1356 C GLN A 92 -12.383 -10.405 -10.763 1.00 0.00 C ATOM 1357 O GLN A 92 -13.016 -10.513 -9.713 1.00 0.00 O ATOM 1358 CB GLN A 92 -12.457 -9.913 -13.222 1.00 0.00 C ATOM 1359 CG GLN A 92 -11.102 -9.449 -13.733 1.00 0.00 C ATOM 1360 CD GLN A 92 -10.776 -10.002 -15.106 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -10.186 -11.076 -15.233 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -11.158 -9.269 -16.145 1.00 0.00 N ATOM 0 H GLN A 92 -11.330 -8.141 -11.008 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.881 -9.249 -11.755 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.476 -11.003 -13.206 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.229 -9.591 -13.921 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.086 -8.360 -13.771 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.328 -9.755 -13.029 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.644 -8.385 -15.994 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.965 -9.590 -17.094 1.00 0.00 H new ATOM 1371 N GLY A 93 -11.316 -11.145 -11.044 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.828 -12.138 -10.105 1.00 0.00 C ATOM 1373 C GLY A 93 -9.384 -11.895 -9.719 1.00 0.00 C ATOM 1374 O GLY A 93 -8.687 -12.811 -9.280 1.00 0.00 O ATOM 0 H GLY A 93 -10.779 -11.074 -11.908 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.449 -12.126 -9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.923 -13.131 -10.545 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.934 -10.655 -9.888 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.563 -10.280 -9.557 1.00 0.00 C ATOM 1380 C ASP A 94 -7.225 -10.672 -8.117 1.00 0.00 C ATOM 1381 O ASP A 94 -8.120 -10.866 -7.295 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.364 -8.774 -9.750 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.390 -8.169 -10.686 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.536 -7.946 -10.245 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -8.047 -7.918 -11.861 1.00 0.00 O ATOM 0 H ASP A 94 -9.501 -9.890 -10.254 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.892 -10.816 -10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.422 -8.276 -8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.364 -8.590 -10.144 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.924 -10.795 -7.794 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.474 -11.171 -6.451 1.00 0.00 C ATOM 1392 C PRO A 95 -5.440 -9.990 -5.481 1.00 0.00 C ATOM 1393 O PRO A 95 -5.283 -8.842 -5.896 1.00 0.00 O ATOM 1394 CB PRO A 95 -4.062 -11.688 -6.707 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.578 -10.883 -7.864 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.788 -10.584 -8.713 1.00 0.00 C ATOM 0 HA PRO A 95 -6.143 -11.892 -5.981 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.424 -11.552 -5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.064 -12.753 -6.937 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.105 -9.962 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.830 -11.434 -8.434 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.767 -9.563 -9.095 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.844 -11.246 -9.577 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.588 -10.260 -4.169 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.567 -9.223 -3.137 1.00 0.00 C ATOM 1406 C PRO A 96 -4.146 -8.862 -2.709 1.00 0.00 C ATOM 1407 O PRO A 96 -3.192 -9.560 -3.051 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.321 -9.880 -1.986 1.00 0.00 C ATOM 1409 CG PRO A 96 -6.008 -11.333 -2.116 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.799 -11.601 -3.587 1.00 0.00 C ATOM 0 HA PRO A 96 -6.005 -8.285 -3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.995 -9.488 -1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.393 -9.697 -2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.116 -11.589 -1.545 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.823 -11.941 -1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.939 -12.249 -3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.663 -12.096 -4.029 1.00 0.00 H new ATOM 1418 N VAL A 97 -4.011 -7.770 -1.961 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.702 -7.323 -1.491 1.00 0.00 C ATOM 1420 C VAL A 97 -2.754 -6.880 -0.030 1.00 0.00 C ATOM 1421 O VAL A 97 -3.578 -6.046 0.346 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.164 -6.159 -2.348 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.773 -5.752 -1.890 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.156 -6.538 -3.822 1.00 0.00 C ATOM 0 H VAL A 97 -4.789 -7.180 -1.668 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.030 -8.177 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.828 -5.304 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.413 -4.930 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.812 -5.433 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.096 -6.601 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.773 -5.704 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.518 -7.409 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.171 -6.773 -4.143 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.866 -7.440 0.788 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.808 -7.104 2.207 1.00 0.00 C ATOM 1436 C GLU A 98 -0.749 -6.036 2.474 1.00 0.00 C ATOM 1437 O GLU A 98 0.308 -6.023 1.844 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.496 -8.349 3.038 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.651 -9.332 3.133 1.00 0.00 C ATOM 1440 CD GLU A 98 -3.082 -9.867 1.781 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.492 -10.869 1.323 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -4.009 -9.287 1.180 1.00 0.00 O ATOM 0 H GLU A 98 -1.176 -8.130 0.491 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.783 -6.711 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.635 -8.857 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.211 -8.040 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.361 -10.166 3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.499 -8.843 3.612 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.044 -5.142 3.414 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.118 -4.073 3.779 1.00 0.00 C ATOM 1451 C PHE A 99 0.056 -4.004 5.295 1.00 0.00 C ATOM 1452 O PHE A 99 -0.756 -4.544 6.044 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.629 -2.725 3.272 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.823 -2.648 1.786 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.913 -3.256 1.184 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.076 -1.955 0.993 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -2.098 -3.178 -0.182 1.00 0.00 C ATOM 1458 CE2 PHE A 99 -0.106 -1.871 -0.374 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.194 -2.484 -0.962 1.00 0.00 C ATOM 0 H PHE A 99 -1.919 -5.137 3.938 1.00 0.00 H new ATOM 0 HA PHE A 99 0.844 -4.293 3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.578 -2.504 3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.074 -1.948 3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.625 -3.797 1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.929 -1.475 1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.949 -3.659 -0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.602 -1.327 -0.981 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.338 -2.421 -2.030 1.00 0.00 H new ATOM 1469 N ALA A 100 1.116 -3.333 5.742 1.00 0.00 N ATOM 1470 CA ALA A 100 1.380 -3.193 7.172 1.00 0.00 C ATOM 1471 C ALA A 100 2.297 -2.008 7.466 1.00 0.00 C ATOM 1472 O ALA A 100 3.073 -1.581 6.610 1.00 0.00 O ATOM 1473 CB ALA A 100 1.985 -4.473 7.725 1.00 0.00 C ATOM 0 H ALA A 100 1.802 -2.880 5.138 1.00 0.00 H new ATOM 0 HA ALA A 100 0.426 -3.004 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.176 -4.354 8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.291 -5.300 7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.922 -4.685 7.210 1.00 0.00 H new ATOM 1479 N THR A 101 2.198 -1.482 8.685 1.00 0.00 N ATOM 1480 CA THR A 101 3.017 -0.351 9.112 1.00 0.00 C ATOM 1481 C THR A 101 3.676 -0.637 10.457 1.00 0.00 C ATOM 1482 O THR A 101 3.477 -1.702 11.042 1.00 0.00 O ATOM 1483 CB THR A 101 2.188 0.941 9.228 1.00 0.00 C ATOM 1484 OG1 THR A 101 1.032 0.711 10.044 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.757 1.439 7.857 1.00 0.00 C ATOM 0 H THR A 101 1.554 -1.824 9.398 1.00 0.00 H new ATOM 0 HA THR A 101 3.783 -0.210 8.349 1.00 0.00 H new ATOM 0 HB THR A 101 2.814 1.704 9.691 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.033 1.338 10.797 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.173 2.353 7.969 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.639 1.644 7.251 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.149 0.678 7.368 1.00 0.00 H new ATOM 1493 N ASP A 102 4.462 0.319 10.944 1.00 0.00 N ATOM 1494 CA ASP A 102 5.147 0.170 12.222 1.00 0.00 C ATOM 1495 C ASP A 102 4.642 1.196 13.231 1.00 0.00 C ATOM 1496 O ASP A 102 5.164 1.301 14.342 1.00 0.00 O ATOM 1497 CB ASP A 102 6.658 0.324 12.038 1.00 0.00 C ATOM 1498 CG ASP A 102 7.240 -0.741 11.128 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.626 -1.812 11.640 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.309 -0.501 9.904 1.00 0.00 O ATOM 0 H ASP A 102 4.640 1.205 10.472 1.00 0.00 H new ATOM 0 HA ASP A 102 4.934 -0.828 12.604 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.873 1.309 11.624 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.147 0.274 13.011 1.00 0.00 H new ATOM 1505 N ARG A 103 3.619 1.949 12.837 1.00 0.00 N ATOM 1506 CA ARG A 103 3.038 2.970 13.702 1.00 0.00 C ATOM 1507 C ARG A 103 1.532 3.062 13.487 1.00 0.00 C ATOM 1508 O ARG A 103 1.024 2.694 12.427 1.00 0.00 O ATOM 1509 CB ARG A 103 3.684 4.332 13.428 1.00 0.00 C ATOM 1510 CG ARG A 103 5.183 4.360 13.677 1.00 0.00 C ATOM 1511 CD ARG A 103 5.777 5.720 13.350 1.00 0.00 C ATOM 1512 NE ARG A 103 7.221 5.753 13.560 1.00 0.00 N ATOM 1513 CZ ARG A 103 7.990 6.789 13.238 1.00 0.00 C ATOM 1514 NH1 ARG A 103 7.454 7.872 12.691 1.00 0.00 N ATOM 1515 NH2 ARG A 103 9.296 6.743 13.461 1.00 0.00 N ATOM 0 H ARG A 103 3.175 1.871 11.922 1.00 0.00 H new ATOM 0 HA ARG A 103 3.229 2.687 14.737 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.492 4.613 12.393 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.206 5.084 14.057 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.384 4.115 14.720 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.668 3.595 13.071 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.556 5.972 12.313 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.303 6.481 13.970 1.00 0.00 H new ATOM 0 HE ARG A 103 7.665 4.935 13.977 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.450 7.911 12.516 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.046 8.665 12.445 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.713 5.912 13.880 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.884 7.539 13.213 1.00 0.00 H new ATOM 1529 N VAL A 104 0.820 3.554 14.497 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.627 3.693 14.409 1.00 0.00 C ATOM 1531 C VAL A 104 -1.008 4.918 13.584 1.00 0.00 C ATOM 1532 O VAL A 104 -2.052 4.940 12.931 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.271 3.797 15.807 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -0.824 5.067 16.514 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -2.787 3.736 15.703 1.00 0.00 C ATOM 0 H VAL A 104 1.222 3.862 15.383 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.004 2.797 13.917 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.938 2.947 16.402 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.291 5.119 17.498 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.260 5.058 16.626 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.121 5.935 15.925 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.223 3.811 16.699 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.143 4.562 15.088 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.083 2.791 15.247 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.153 5.937 13.616 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.395 7.164 12.865 1.00 0.00 C ATOM 1547 C GLU A 105 -0.223 6.918 11.371 1.00 0.00 C ATOM 1548 O GLU A 105 -1.099 7.254 10.574 1.00 0.00 O ATOM 1549 CB GLU A 105 0.556 8.271 13.327 1.00 0.00 C ATOM 1550 CG GLU A 105 0.408 8.625 14.797 1.00 0.00 C ATOM 1551 CD GLU A 105 -0.983 9.120 15.142 1.00 0.00 C ATOM 1552 OE1 GLU A 105 -1.219 10.343 15.044 1.00 0.00 O ATOM 1553 OE2 GLU A 105 -1.836 8.285 15.510 1.00 0.00 O ATOM 0 H GLU A 105 0.713 5.937 14.154 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.421 7.482 13.052 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.583 7.958 13.139 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.380 9.164 12.727 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.638 7.748 15.403 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.137 9.392 15.057 1.00 0.00 H new ATOM 1560 N GLU A 106 0.913 6.333 10.997 1.00 0.00 N ATOM 1561 CA GLU A 106 1.188 6.031 9.597 1.00 0.00 C ATOM 1562 C GLU A 106 0.119 5.100 9.046 1.00 0.00 C ATOM 1563 O GLU A 106 -0.161 5.094 7.848 1.00 0.00 O ATOM 1564 CB GLU A 106 2.563 5.376 9.447 1.00 0.00 C ATOM 1565 CG GLU A 106 3.690 6.152 10.106 1.00 0.00 C ATOM 1566 CD GLU A 106 3.878 7.532 9.507 1.00 0.00 C ATOM 1567 OE1 GLU A 106 3.238 8.485 10.000 1.00 0.00 O ATOM 1568 OE2 GLU A 106 4.666 7.660 8.546 1.00 0.00 O ATOM 0 H GLU A 106 1.654 6.060 11.642 1.00 0.00 H new ATOM 0 HA GLU A 106 1.180 6.966 9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.526 4.374 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.786 5.261 8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.485 6.248 11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.618 5.589 10.010 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.473 4.309 9.937 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.515 3.371 9.550 1.00 0.00 C ATOM 1577 C LEU A 107 -2.756 4.115 9.079 1.00 0.00 C ATOM 1578 O LEU A 107 -3.214 3.929 7.955 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.881 2.470 10.731 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.814 1.308 10.390 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.014 0.038 10.170 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.845 1.102 11.488 1.00 0.00 C ATOM 0 H LEU A 107 -0.247 4.301 10.932 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.135 2.759 8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.963 2.066 11.159 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.351 3.080 11.502 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.343 1.553 9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.691 -0.781 9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.315 0.186 9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.460 -0.205 11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.497 0.270 11.223 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.337 0.880 12.427 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.440 2.008 11.603 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.283 4.973 9.942 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.474 5.740 9.618 1.00 0.00 C ATOM 1596 C PHE A 108 -4.191 6.757 8.521 1.00 0.00 C ATOM 1597 O PHE A 108 -5.079 7.128 7.770 1.00 0.00 O ATOM 1598 CB PHE A 108 -5.004 6.456 10.861 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.483 6.298 11.060 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -7.002 5.128 11.594 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.356 7.315 10.711 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.363 4.979 11.778 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.718 7.172 10.892 1.00 0.00 C ATOM 1604 CZ PHE A 108 -9.223 6.002 11.426 1.00 0.00 C ATOM 0 H PHE A 108 -2.903 5.154 10.871 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.230 5.042 9.257 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.485 6.073 11.740 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.767 7.517 10.788 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.335 4.325 11.869 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.967 8.231 10.292 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.755 4.064 12.197 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.387 7.974 10.616 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.287 5.887 11.568 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.948 7.202 8.427 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.572 8.192 7.423 1.00 0.00 C ATOM 1616 C GLU A 109 -2.534 7.592 6.016 1.00 0.00 C ATOM 1617 O GLU A 109 -3.249 8.042 5.118 1.00 0.00 O ATOM 1618 CB GLU A 109 -1.209 8.793 7.780 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.606 9.646 6.678 1.00 0.00 C ATOM 1620 CD GLU A 109 0.625 10.404 7.134 1.00 0.00 C ATOM 1621 OE1 GLU A 109 1.737 9.841 7.043 1.00 0.00 O ATOM 1622 OE2 GLU A 109 0.478 11.560 7.583 1.00 0.00 O ATOM 0 H GLU A 109 -2.184 6.897 9.029 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.330 8.975 7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.315 9.400 8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.518 7.985 8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.344 9.009 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.354 10.355 6.322 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.714 6.565 5.840 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.558 5.916 4.540 1.00 0.00 C ATOM 1631 C TRP A 110 -2.799 5.130 4.124 1.00 0.00 C ATOM 1632 O TRP A 110 -3.292 5.279 3.007 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.355 4.974 4.571 1.00 0.00 C ATOM 1634 CG TRP A 110 0.918 5.609 4.106 1.00 0.00 C ATOM 1635 CD1 TRP A 110 1.865 6.216 4.881 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.387 5.694 2.757 1.00 0.00 C ATOM 1637 NE1 TRP A 110 2.894 6.672 4.095 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.624 6.364 2.788 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.883 5.268 1.525 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.362 6.617 1.637 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.617 5.520 0.382 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.846 6.189 0.444 1.00 0.00 C ATOM 0 H TRP A 110 -1.143 6.160 6.582 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.406 6.707 3.806 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.218 4.608 5.588 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.568 4.107 3.946 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.812 6.322 5.955 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.724 7.161 4.430 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.063 4.751 1.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.309 7.133 1.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.237 5.196 -0.575 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.397 6.371 -0.467 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.299 4.296 5.026 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.457 3.456 4.737 1.00 0.00 C ATOM 1655 C PHE A 111 -5.732 4.262 4.524 1.00 0.00 C ATOM 1656 O PHE A 111 -6.473 4.003 3.576 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.632 2.422 5.842 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.532 1.403 5.813 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.289 0.685 4.656 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.728 1.179 6.916 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.271 -0.239 4.598 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.701 0.255 6.863 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.474 -0.456 5.703 1.00 0.00 C ATOM 0 H PHE A 111 -2.921 4.182 5.966 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.266 2.943 3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.643 2.921 6.811 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.595 1.924 5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.907 0.852 3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.904 1.731 7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.096 -0.794 3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.077 0.090 7.729 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.674 -1.181 5.660 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.997 5.229 5.392 1.00 0.00 N ATOM 1674 CA GLN A 112 -7.191 6.046 5.239 1.00 0.00 C ATOM 1675 C GLN A 112 -7.170 6.744 3.887 1.00 0.00 C ATOM 1676 O GLN A 112 -8.201 6.873 3.233 1.00 0.00 O ATOM 1677 CB GLN A 112 -7.291 7.070 6.366 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.547 7.918 6.327 1.00 0.00 C ATOM 1679 CD GLN A 112 -9.811 7.129 6.616 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -9.888 5.930 6.347 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -10.814 7.804 7.166 1.00 0.00 N ATOM 0 H GLN A 112 -5.413 5.464 6.195 1.00 0.00 H new ATOM 0 HA GLN A 112 -8.067 5.399 5.290 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -7.249 6.547 7.321 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.422 7.726 6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.456 8.725 7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.633 8.383 5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.708 8.797 7.373 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.691 7.329 7.382 1.00 0.00 H new ATOM 1690 N SER A 113 -5.984 7.183 3.467 1.00 0.00 N ATOM 1691 CA SER A 113 -5.829 7.851 2.179 1.00 0.00 C ATOM 1692 C SER A 113 -6.097 6.878 1.034 1.00 0.00 C ATOM 1693 O SER A 113 -6.849 7.193 0.111 1.00 0.00 O ATOM 1694 CB SER A 113 -4.426 8.444 2.048 1.00 0.00 C ATOM 1695 OG SER A 113 -4.261 9.095 0.799 1.00 0.00 O ATOM 0 H SER A 113 -5.119 7.088 4.000 1.00 0.00 H new ATOM 0 HA SER A 113 -6.557 8.661 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.251 9.153 2.857 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.683 7.653 2.150 1.00 0.00 H new ATOM 0 HG SER A 113 -3.623 9.832 0.896 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.477 5.695 1.089 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.683 4.685 0.055 1.00 0.00 C ATOM 1703 C ILE A 114 -7.177 4.439 -0.119 1.00 0.00 C ATOM 1704 O ILE A 114 -7.661 4.191 -1.223 1.00 0.00 O ATOM 1705 CB ILE A 114 -4.978 3.348 0.395 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.454 3.507 0.323 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.445 2.245 -0.547 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.686 2.228 0.610 1.00 0.00 C ATOM 0 H ILE A 114 -4.835 5.418 1.832 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.246 5.063 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.245 3.068 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.183 3.867 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.145 4.272 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.940 1.313 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.522 2.113 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.207 2.519 -1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.616 2.423 0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.926 1.877 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.965 1.465 -0.117 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.896 4.519 0.995 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.341 4.337 1.001 1.00 0.00 C ATOM 1722 C ARG A 115 -10.020 5.581 0.445 1.00 0.00 C ATOM 1723 O ARG A 115 -11.017 5.497 -0.272 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.815 4.049 2.427 1.00 0.00 C ATOM 1725 CG ARG A 115 -11.263 4.423 2.693 1.00 0.00 C ATOM 1726 CD ARG A 115 -11.704 3.988 4.081 1.00 0.00 C ATOM 1727 NE ARG A 115 -13.091 4.352 4.354 1.00 0.00 N ATOM 1728 CZ ARG A 115 -13.722 4.061 5.488 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -13.090 3.403 6.451 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -14.985 4.425 5.659 1.00 0.00 N ATOM 0 H ARG A 115 -7.496 4.711 1.913 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.607 3.490 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.683 2.987 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.178 4.591 3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.386 5.501 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.904 3.958 1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -11.587 2.909 4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.055 4.446 4.828 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.606 4.859 3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -12.119 3.119 6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -13.575 3.181 7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.475 4.929 4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -15.467 4.201 6.530 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.462 6.735 0.781 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.981 8.012 0.312 1.00 0.00 C ATOM 1746 C GLU A 116 -9.937 8.071 -1.211 1.00 0.00 C ATOM 1747 O GLU A 116 -10.611 8.890 -1.836 1.00 0.00 O ATOM 1748 CB GLU A 116 -9.160 9.163 0.901 1.00 0.00 C ATOM 1749 CG GLU A 116 -9.472 9.458 2.360 1.00 0.00 C ATOM 1750 CD GLU A 116 -8.594 10.553 2.934 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -8.966 11.738 2.811 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -7.535 10.224 3.509 1.00 0.00 O ATOM 0 H GLU A 116 -8.642 6.813 1.383 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.016 8.110 0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -8.100 8.926 0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.339 10.063 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.518 9.750 2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.342 8.548 2.947 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.132 7.190 -1.798 1.00 0.00 N ATOM 1760 CA ILE A 117 -8.969 7.135 -3.245 1.00 0.00 C ATOM 1761 C ILE A 117 -9.717 5.955 -3.866 1.00 0.00 C ATOM 1762 O ILE A 117 -10.029 5.974 -5.057 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.478 7.043 -3.626 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -6.688 8.166 -2.948 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -7.311 7.106 -5.138 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.192 8.071 -3.154 1.00 0.00 C ATOM 0 H ILE A 117 -8.579 6.500 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.394 8.058 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.087 6.087 -3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.038 9.125 -3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.900 8.152 -1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.253 7.040 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.846 6.275 -5.598 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.714 8.048 -5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.701 8.900 -2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.828 7.128 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -4.968 8.116 -4.220 1.00 0.00 H new ATOM 1778 N THR A 118 -10.013 4.931 -3.066 1.00 0.00 N ATOM 1779 CA THR A 118 -10.703 3.752 -3.582 1.00 0.00 C ATOM 1780 C THR A 118 -12.168 3.774 -3.187 1.00 0.00 C ATOM 1781 O THR A 118 -13.057 3.724 -4.039 1.00 0.00 O ATOM 1782 CB THR A 118 -10.060 2.451 -3.067 1.00 0.00 C ATOM 1783 OG1 THR A 118 -10.056 2.437 -1.634 1.00 0.00 O ATOM 1784 CG2 THR A 118 -8.636 2.310 -3.583 1.00 0.00 C ATOM 0 H THR A 118 -9.789 4.894 -2.072 1.00 0.00 H new ATOM 0 HA THR A 118 -10.617 3.778 -4.668 1.00 0.00 H new ATOM 0 HB THR A 118 -10.649 1.612 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.800 1.888 -1.310 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.202 1.384 -3.206 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.644 2.290 -4.673 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.039 3.156 -3.240 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.407 3.847 -1.889 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.757 3.891 -1.355 1.00 0.00 C ATOM 1794 C TRP A 119 -14.533 5.060 -1.948 1.00 0.00 C ATOM 1795 O TRP A 119 -15.740 4.969 -2.175 1.00 0.00 O ATOM 1796 CB TRP A 119 -13.697 4.020 0.161 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.868 2.716 0.872 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -12.996 1.669 0.865 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.973 2.317 1.692 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -13.489 0.639 1.631 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -14.701 1.013 2.149 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -16.164 2.934 2.085 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -15.578 0.317 2.978 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -17.033 2.242 2.908 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -16.736 0.946 3.347 1.00 0.00 C ATOM 0 H TRP A 119 -11.675 3.877 -1.179 1.00 0.00 H new ATOM 0 HA TRP A 119 -14.273 2.969 -1.623 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.740 4.458 0.444 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -14.473 4.711 0.491 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.055 1.651 0.335 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -13.028 -0.257 1.788 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -16.401 3.934 1.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -15.352 -0.683 3.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -17.956 2.709 3.217 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.435 0.432 3.990 1.00 0.00 H new ATOM 1816 N LYS A 120 -13.828 6.156 -2.196 1.00 0.00 N ATOM 1817 CA LYS A 120 -14.442 7.350 -2.766 1.00 0.00 C ATOM 1818 C LYS A 120 -13.615 7.882 -3.933 1.00 0.00 C ATOM 1819 O LYS A 120 -12.387 7.801 -3.925 1.00 0.00 O ATOM 1820 CB LYS A 120 -14.589 8.433 -1.695 1.00 0.00 C ATOM 1821 CG LYS A 120 -15.270 9.697 -2.195 1.00 0.00 C ATOM 1822 CD LYS A 120 -15.392 10.738 -1.095 1.00 0.00 C ATOM 1823 CE LYS A 120 -16.072 12.002 -1.596 1.00 0.00 C ATOM 1824 NZ LYS A 120 -15.321 12.630 -2.718 1.00 0.00 N ATOM 0 H LYS A 120 -12.829 6.244 -2.011 1.00 0.00 H new ATOM 0 HA LYS A 120 -15.430 7.079 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -15.160 8.030 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -13.601 8.690 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -14.703 10.112 -3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -16.261 9.451 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -15.960 10.324 -0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -14.401 10.984 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -17.084 11.764 -1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -16.163 12.715 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -15.673 13.596 -2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -14.309 12.664 -2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -15.456 12.069 -3.583 1.00 0.00 H new ATOM 1838 N ILE A 121 -14.298 8.423 -4.937 1.00 0.00 N ATOM 1839 CA ILE A 121 -13.631 8.968 -6.112 1.00 0.00 C ATOM 1840 C ILE A 121 -13.512 10.488 -6.001 1.00 0.00 C ATOM 1841 O ILE A 121 -13.290 11.021 -4.915 1.00 0.00 O ATOM 1842 CB ILE A 121 -14.389 8.600 -7.407 1.00 0.00 C ATOM 1843 CG1 ILE A 121 -15.155 7.284 -7.230 1.00 0.00 C ATOM 1844 CG2 ILE A 121 -13.420 8.494 -8.579 1.00 0.00 C ATOM 1845 CD1 ILE A 121 -14.268 6.089 -6.942 1.00 0.00 C ATOM 0 H ILE A 121 -15.315 8.495 -4.959 1.00 0.00 H new ATOM 0 HA ILE A 121 -12.634 8.530 -6.159 1.00 0.00 H new ATOM 0 HB ILE A 121 -15.108 9.391 -7.619 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -15.870 7.398 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -15.731 7.086 -8.134 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -13.970 8.234 -9.483 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -12.917 9.450 -8.723 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -12.680 7.722 -8.370 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -14.884 5.197 -6.830 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -13.570 5.947 -7.767 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -13.711 6.263 -6.022 1.00 0.00 H new ATOM 1857 N ASP A 122 -13.658 11.181 -7.127 1.00 0.00 N ATOM 1858 CA ASP A 122 -13.563 12.635 -7.147 1.00 0.00 C ATOM 1859 C ASP A 122 -14.190 13.200 -8.418 1.00 0.00 C ATOM 1860 O ASP A 122 -14.416 12.472 -9.384 1.00 0.00 O ATOM 1861 CB ASP A 122 -12.102 13.074 -7.048 1.00 0.00 C ATOM 1862 CG ASP A 122 -11.263 12.556 -8.200 1.00 0.00 C ATOM 1863 OD1 ASP A 122 -10.711 11.443 -8.079 1.00 0.00 O ATOM 1864 OD2 ASP A 122 -11.158 13.264 -9.224 1.00 0.00 O ATOM 0 H ASP A 122 -13.842 10.758 -8.037 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.109 13.023 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -12.053 14.163 -7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -11.682 12.718 -6.107 1.00 0.00 H new ATOM 1869 N THR A 123 -14.471 14.502 -8.404 1.00 0.00 N ATOM 1870 CA THR A 123 -15.072 15.179 -9.550 1.00 0.00 C ATOM 1871 C THR A 123 -16.308 14.437 -10.052 1.00 0.00 C ATOM 1872 O THR A 123 -16.841 13.561 -9.370 1.00 0.00 O ATOM 1873 CB THR A 123 -14.066 15.331 -10.709 1.00 0.00 C ATOM 1874 OG1 THR A 123 -13.676 14.044 -11.201 1.00 0.00 O ATOM 1875 CG2 THR A 123 -12.834 16.100 -10.257 1.00 0.00 C ATOM 0 H THR A 123 -14.290 15.111 -7.606 1.00 0.00 H new ATOM 0 HA THR A 123 -15.368 16.170 -9.206 1.00 0.00 H new ATOM 0 HB THR A 123 -14.554 15.889 -11.509 1.00 0.00 H new ATOM 0 HG1 THR A 123 -14.242 13.354 -10.796 1.00 0.00 H new ATOM 0 HG21 THR A 123 -12.138 16.195 -11.091 1.00 0.00 H new ATOM 0 HG22 THR A 123 -13.129 17.092 -9.916 1.00 0.00 H new ATOM 0 HG23 THR A 123 -12.350 15.565 -9.440 1.00 0.00 H new ATOM 1883 N LYS A 124 -16.765 14.799 -11.248 1.00 0.00 N ATOM 1884 CA LYS A 124 -17.938 14.169 -11.841 1.00 0.00 C ATOM 1885 C LYS A 124 -17.812 14.107 -13.361 1.00 0.00 C ATOM 1886 O LYS A 124 -17.322 13.077 -13.871 1.00 0.00 O ATOM 1887 CB LYS A 124 -19.206 14.933 -11.451 1.00 0.00 C ATOM 1888 CG LYS A 124 -20.487 14.309 -11.986 1.00 0.00 C ATOM 1889 CD LYS A 124 -20.727 12.929 -11.395 1.00 0.00 C ATOM 1890 CE LYS A 124 -22.008 12.309 -11.929 1.00 0.00 C ATOM 1891 NZ LYS A 124 -22.255 10.959 -11.350 1.00 0.00 N ATOM 1892 OXT LYS A 124 -18.202 15.087 -14.027 1.00 0.00 O ATOM 0 H LYS A 124 -16.340 15.525 -11.824 1.00 0.00 H new ATOM 0 HA LYS A 124 -18.006 13.150 -11.459 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -19.266 14.988 -10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -19.130 15.956 -11.819 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -21.332 14.957 -11.754 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -20.431 14.235 -13.072 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -19.883 12.280 -11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -20.782 13.002 -10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -22.850 12.962 -11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -21.949 12.233 -13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -23.138 10.570 -11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -21.464 10.328 -11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -22.336 11.034 -10.316 1.00 0.00 H new TER 1906 LYS A 124