USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 740 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 13 HIS : no HD1:sc= 0.311 K(o=-2.5,f=-10!) USER MOD Set 1.2: A 21 ASN : amide:sc= -2.79! C(o=-2.5!,f=-7.2!) USER MOD Single : A 6 MET CE :methyl 154:sc= -0.151 (180deg=-1.44) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 124:sc= 0.531 USER MOD Single : A 17 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.0196) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 24 ASN : amide:sc= -3.51! C(o=-3.5!,f=-2.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.27) USER MOD Single : A 33 SER OG : rot -77:sc= 1.24 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.82 K(o=-1.8,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.6!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -94:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0.372 USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0505) USER MOD Single : A 61 SER OG : rot 125:sc= 0.0787 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 19:sc= 0.493 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0281 USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= -0.177 (180deg=-0.233) USER MOD Single : A 78 TYR OH : rot -168:sc= 0.395 USER MOD Single : A 83 ASN : amide:sc= -0.4 K(o=-0.4,f=-2.4!) USER MOD Single : A 84 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-8.9!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -130:sc= -0.227 (180deg=-0.241) USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= -0.0336 (180deg=-0.444) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 5.754 -7.551 8.557 1.00 0.00 N ATOM 2 CA MET A 6 5.241 -7.560 7.188 1.00 0.00 C ATOM 3 C MET A 6 4.884 -6.159 6.707 1.00 0.00 C ATOM 4 O MET A 6 5.758 -5.369 6.357 1.00 0.00 O ATOM 5 CB MET A 6 4.021 -8.484 7.055 1.00 0.00 C ATOM 6 CG MET A 6 4.362 -9.906 6.656 1.00 0.00 C ATOM 7 SD MET A 6 2.911 -10.983 6.629 1.00 0.00 S ATOM 8 CE MET A 6 1.883 -10.150 5.419 1.00 0.00 C ATOM 0 HA MET A 6 6.042 -7.943 6.556 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.488 -8.503 8.005 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.340 -8.064 6.315 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.826 -9.902 5.670 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.097 -10.309 7.353 1.00 0.00 H new ATOM 0 HE1 MET A 6 1.211 -10.871 4.954 1.00 0.00 H new ATOM 0 HE2 MET A 6 1.298 -9.374 5.912 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.515 -9.698 4.654 1.00 0.00 H new ATOM 17 N ILE A 7 3.594 -5.861 6.705 1.00 0.00 N ATOM 18 CA ILE A 7 3.085 -4.586 6.229 1.00 0.00 C ATOM 19 C ILE A 7 1.868 -4.224 7.074 1.00 0.00 C ATOM 20 O ILE A 7 1.109 -5.110 7.464 1.00 0.00 O ATOM 21 CB ILE A 7 2.640 -4.663 4.732 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.635 -5.450 3.864 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.448 -3.270 4.139 1.00 0.00 C ATOM 24 CD1 ILE A 7 3.014 -6.037 2.605 1.00 0.00 C ATOM 0 H ILE A 7 2.869 -6.499 7.034 1.00 0.00 H new ATOM 0 HA ILE A 7 3.876 -3.841 6.311 1.00 0.00 H new ATOM 0 HB ILE A 7 1.688 -5.194 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.457 -4.792 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.063 -6.257 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.139 -3.357 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.681 -2.738 4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.387 -2.719 4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.775 -6.578 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.211 -6.721 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.611 -5.233 1.989 1.00 0.00 H new ATOM 36 N GLN A 8 1.679 -2.948 7.372 1.00 0.00 N ATOM 37 CA GLN A 8 0.534 -2.527 8.172 1.00 0.00 C ATOM 38 C GLN A 8 -0.213 -1.400 7.465 1.00 0.00 C ATOM 39 O GLN A 8 0.277 -0.274 7.386 1.00 0.00 O ATOM 40 CB GLN A 8 0.992 -2.082 9.563 1.00 0.00 C ATOM 41 CG GLN A 8 1.605 -3.206 10.394 1.00 0.00 C ATOM 42 CD GLN A 8 2.245 -2.704 11.676 1.00 0.00 C ATOM 43 OE1 GLN A 8 1.840 -1.684 12.239 1.00 0.00 O ATOM 44 NE2 GLN A 8 3.252 -3.422 12.145 1.00 0.00 N ATOM 0 H GLN A 8 2.295 -2.191 7.077 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.144 -3.372 8.289 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.723 -1.280 9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.140 -1.667 10.101 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.832 -3.934 10.639 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.355 -3.726 9.798 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.556 -4.260 11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.725 -3.138 13.003 1.00 0.00 H new ATOM 53 N VAL A 9 -1.379 -1.723 6.918 1.00 0.00 N ATOM 54 CA VAL A 9 -2.192 -0.740 6.206 1.00 0.00 C ATOM 55 C VAL A 9 -3.225 -0.063 7.097 1.00 0.00 C ATOM 56 O VAL A 9 -3.713 -0.643 8.068 1.00 0.00 O ATOM 57 CB VAL A 9 -2.901 -1.356 4.984 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.916 -1.521 3.861 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.508 -2.699 5.311 1.00 0.00 C ATOM 0 H VAL A 9 -1.784 -2.658 6.953 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.488 0.020 5.868 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.704 -0.681 4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.418 -1.957 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.507 -0.548 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.107 -2.178 4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.999 -3.102 4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.724 -3.384 5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.240 -2.583 6.110 1.00 0.00 H new ATOM 69 N TYR A 10 -3.550 1.171 6.729 1.00 0.00 N ATOM 70 CA TYR A 10 -4.472 2.020 7.475 1.00 0.00 C ATOM 71 C TYR A 10 -5.141 2.997 6.518 1.00 0.00 C ATOM 72 O TYR A 10 -4.946 2.934 5.304 1.00 0.00 O ATOM 73 CB TYR A 10 -3.744 2.838 8.553 1.00 0.00 C ATOM 74 CG TYR A 10 -3.205 2.040 9.732 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.858 2.107 10.079 1.00 0.00 C ATOM 76 CD2 TYR A 10 -4.038 1.225 10.499 1.00 0.00 C ATOM 77 CE1 TYR A 10 -1.358 1.391 11.150 1.00 0.00 C ATOM 78 CE2 TYR A 10 -3.539 0.502 11.574 1.00 0.00 C ATOM 79 CZ TYR A 10 -2.200 0.592 11.890 1.00 0.00 C ATOM 80 OH TYR A 10 -1.699 -0.113 12.958 1.00 0.00 O ATOM 0 H TYR A 10 -3.175 1.617 5.892 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.203 1.370 7.956 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.913 3.366 8.084 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.429 3.596 8.933 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.192 2.730 9.500 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.087 1.155 10.253 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.311 1.458 11.405 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.195 -0.126 12.158 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.420 -0.628 13.377 1.00 0.00 H new ATOM 90 N SER A 11 -5.940 3.890 7.067 1.00 0.00 N ATOM 91 CA SER A 11 -6.492 4.994 6.296 1.00 0.00 C ATOM 92 C SER A 11 -6.331 6.312 7.043 1.00 0.00 C ATOM 93 O SER A 11 -6.164 6.335 8.263 1.00 0.00 O ATOM 94 CB SER A 11 -7.966 4.747 5.998 1.00 0.00 C ATOM 95 OG SER A 11 -8.142 3.537 5.280 1.00 0.00 O ATOM 0 H SER A 11 -6.224 3.875 8.047 1.00 0.00 H new ATOM 0 HA SER A 11 -5.943 5.057 5.357 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.528 4.706 6.931 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.369 5.579 5.420 1.00 0.00 H new ATOM 0 HG SER A 11 -8.762 2.955 5.767 1.00 0.00 H new ATOM 101 N ARG A 12 -6.377 7.405 6.288 1.00 0.00 N ATOM 102 CA ARG A 12 -6.216 8.749 6.852 1.00 0.00 C ATOM 103 C ARG A 12 -7.482 9.165 7.607 1.00 0.00 C ATOM 104 O ARG A 12 -7.435 9.978 8.527 1.00 0.00 O ATOM 105 CB ARG A 12 -5.913 9.759 5.730 1.00 0.00 C ATOM 106 CG ARG A 12 -4.871 10.809 6.091 1.00 0.00 C ATOM 107 CD ARG A 12 -5.340 11.709 7.219 1.00 0.00 C ATOM 108 NE ARG A 12 -4.384 12.781 7.501 1.00 0.00 N ATOM 109 CZ ARG A 12 -3.919 13.076 8.716 1.00 0.00 C ATOM 110 NH1 ARG A 12 -4.197 12.289 9.751 1.00 0.00 N ATOM 111 NH2 ARG A 12 -3.134 14.136 8.884 1.00 0.00 N ATOM 0 H ARG A 12 -6.525 7.390 5.279 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.381 8.737 7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.572 9.214 4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.838 10.264 5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.944 10.315 6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.647 11.415 5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.305 12.144 6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.492 11.113 8.119 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.051 13.340 6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.769 11.455 9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.839 12.520 10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.889 14.721 8.085 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.777 14.364 9.812 1.00 0.00 H new ATOM 125 N HIS A 13 -8.602 8.581 7.219 1.00 0.00 N ATOM 126 CA HIS A 13 -9.901 8.916 7.800 1.00 0.00 C ATOM 127 C HIS A 13 -10.717 7.638 8.004 1.00 0.00 C ATOM 128 O HIS A 13 -10.293 6.569 7.562 1.00 0.00 O ATOM 129 CB HIS A 13 -10.660 9.889 6.885 1.00 0.00 C ATOM 130 CG HIS A 13 -9.940 11.174 6.616 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.480 11.476 5.361 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.641 12.196 7.454 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.916 12.664 5.458 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.986 13.141 6.705 1.00 0.00 N ATOM 0 H HIS A 13 -8.643 7.863 6.495 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.745 9.400 8.764 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.861 9.394 5.935 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.626 10.115 7.337 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.873 12.255 8.507 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.455 13.187 4.633 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.623 14.035 7.036 1.00 0.00 H new ATOM 142 N PRO A 14 -11.886 7.718 8.679 1.00 0.00 N ATOM 143 CA PRO A 14 -12.761 6.548 8.897 1.00 0.00 C ATOM 144 C PRO A 14 -13.361 6.013 7.587 1.00 0.00 C ATOM 145 O PRO A 14 -13.569 6.769 6.635 1.00 0.00 O ATOM 146 CB PRO A 14 -13.878 7.090 9.806 1.00 0.00 C ATOM 147 CG PRO A 14 -13.351 8.383 10.355 1.00 0.00 C ATOM 148 CD PRO A 14 -12.455 8.937 9.287 1.00 0.00 C ATOM 0 HA PRO A 14 -12.210 5.711 9.327 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.799 7.247 9.245 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.108 6.388 10.607 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.164 9.073 10.582 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.802 8.221 11.283 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.010 9.531 8.561 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.681 9.582 9.702 1.00 0.00 H new ATOM 156 N ALA A 15 -13.593 4.700 7.526 1.00 0.00 N ATOM 157 CA ALA A 15 -14.237 4.058 6.373 1.00 0.00 C ATOM 158 C ALA A 15 -15.694 4.483 6.211 1.00 0.00 C ATOM 159 O ALA A 15 -16.565 3.998 6.940 1.00 0.00 O ATOM 160 CB ALA A 15 -14.176 2.537 6.538 1.00 0.00 C ATOM 0 H ALA A 15 -13.341 4.051 8.272 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.697 4.373 5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.654 2.059 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.135 2.219 6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.696 2.249 7.452 1.00 0.00 H new ATOM 166 N GLU A 16 -15.973 5.378 5.263 1.00 0.00 N ATOM 167 CA GLU A 16 -17.359 5.729 4.947 1.00 0.00 C ATOM 168 C GLU A 16 -17.746 5.163 3.568 1.00 0.00 C ATOM 169 O GLU A 16 -17.272 5.650 2.537 1.00 0.00 O ATOM 170 CB GLU A 16 -17.568 7.259 4.980 1.00 0.00 C ATOM 171 CG GLU A 16 -18.023 7.837 6.319 1.00 0.00 C ATOM 172 CD GLU A 16 -16.995 7.700 7.421 1.00 0.00 C ATOM 173 OE1 GLU A 16 -17.195 6.861 8.323 1.00 0.00 O ATOM 174 OE2 GLU A 16 -15.998 8.446 7.402 1.00 0.00 O ATOM 0 H GLU A 16 -15.271 5.867 4.708 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.005 5.287 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.633 7.741 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.305 7.523 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.263 8.892 6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.942 7.338 6.627 1.00 0.00 H new ATOM 181 N ASN A 17 -18.570 4.106 3.567 1.00 0.00 N ATOM 182 CA ASN A 17 -19.067 3.456 2.344 1.00 0.00 C ATOM 183 C ASN A 17 -19.675 4.471 1.357 1.00 0.00 C ATOM 184 O ASN A 17 -20.808 4.927 1.534 1.00 0.00 O ATOM 185 CB ASN A 17 -20.084 2.338 2.754 1.00 0.00 C ATOM 186 CG ASN A 17 -19.397 1.088 3.274 1.00 0.00 C ATOM 187 OD1 ASN A 17 -18.254 0.798 2.920 1.00 0.00 O ATOM 188 ND2 ASN A 17 -20.100 0.321 4.096 1.00 0.00 N ATOM 0 H ASN A 17 -18.914 3.673 4.424 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.233 3.000 1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.755 2.725 3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.700 2.078 1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -19.696 -0.543 4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.045 0.595 4.367 1.00 0.00 H new ATOM 195 N GLY A 18 -18.887 4.820 0.320 1.00 0.00 N ATOM 196 CA GLY A 18 -19.331 5.784 -0.690 1.00 0.00 C ATOM 197 C GLY A 18 -18.418 6.989 -0.843 1.00 0.00 C ATOM 198 O GLY A 18 -18.599 7.785 -1.765 1.00 0.00 O ATOM 0 H GLY A 18 -17.949 4.449 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.409 5.276 -1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.331 6.131 -0.431 1.00 0.00 H new ATOM 202 N LYS A 19 -17.443 7.147 0.044 1.00 0.00 N ATOM 203 CA LYS A 19 -16.510 8.279 -0.067 1.00 0.00 C ATOM 204 C LYS A 19 -15.258 7.886 -0.828 1.00 0.00 C ATOM 205 O LYS A 19 -14.875 6.719 -0.843 1.00 0.00 O ATOM 206 CB LYS A 19 -16.047 8.771 1.303 1.00 0.00 C ATOM 207 CG LYS A 19 -17.134 9.050 2.326 1.00 0.00 C ATOM 208 CD LYS A 19 -17.878 10.369 2.129 1.00 0.00 C ATOM 209 CE LYS A 19 -18.763 10.390 0.896 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.969 9.542 1.079 1.00 0.00 N ATOM 0 H LYS A 19 -17.273 6.525 0.834 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.058 9.063 -0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.368 8.028 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.470 9.685 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.857 8.234 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.687 9.047 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.491 10.566 3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.152 11.179 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.066 11.415 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.197 10.038 0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.082 8.916 0.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.862 8.967 1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.809 10.148 1.170 1.00 0.00 H new ATOM 224 N SER A 20 -14.619 8.868 -1.443 1.00 0.00 N ATOM 225 CA SER A 20 -13.271 8.687 -1.933 1.00 0.00 C ATOM 226 C SER A 20 -12.291 9.293 -0.942 1.00 0.00 C ATOM 227 O SER A 20 -12.576 10.316 -0.316 1.00 0.00 O ATOM 228 CB SER A 20 -13.091 9.270 -3.330 1.00 0.00 C ATOM 229 OG SER A 20 -14.010 10.325 -3.569 1.00 0.00 O ATOM 0 H SER A 20 -15.014 9.793 -1.612 1.00 0.00 H new ATOM 0 HA SER A 20 -13.071 7.619 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.072 9.639 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.231 8.486 -4.075 1.00 0.00 H new ATOM 0 HG SER A 20 -13.871 10.682 -4.471 1.00 0.00 H new ATOM 235 N ASN A 21 -11.150 8.651 -0.801 1.00 0.00 N ATOM 236 CA ASN A 21 -10.221 8.942 0.278 1.00 0.00 C ATOM 237 C ASN A 21 -8.934 8.184 -0.031 1.00 0.00 C ATOM 238 O ASN A 21 -8.856 7.533 -1.075 1.00 0.00 O ATOM 239 CB ASN A 21 -10.855 8.496 1.606 1.00 0.00 C ATOM 240 CG ASN A 21 -10.340 9.238 2.819 1.00 0.00 C ATOM 241 OD1 ASN A 21 -9.159 9.570 2.909 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.243 9.516 3.760 1.00 0.00 N ATOM 0 H ASN A 21 -10.838 7.912 -1.430 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.997 10.005 0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.935 8.630 1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.674 7.430 1.742 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.965 10.025 4.599 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.212 9.220 3.641 1.00 0.00 H new ATOM 249 N PHE A 22 -7.940 8.234 0.839 1.00 0.00 N ATOM 250 CA PHE A 22 -6.626 7.696 0.486 1.00 0.00 C ATOM 251 C PHE A 22 -6.270 6.438 1.270 1.00 0.00 C ATOM 252 O PHE A 22 -6.377 6.410 2.499 1.00 0.00 O ATOM 253 CB PHE A 22 -5.543 8.759 0.683 1.00 0.00 C ATOM 254 CG PHE A 22 -5.512 9.801 -0.399 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.840 9.468 -1.705 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.139 11.107 -0.118 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.798 10.417 -2.707 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.100 12.060 -1.117 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.429 11.715 -2.412 1.00 0.00 C ATOM 0 H PHE A 22 -8.008 8.631 1.776 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.677 7.414 -0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.700 9.250 1.643 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.570 8.269 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.131 8.455 -1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.876 11.382 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.053 10.145 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.812 13.075 -0.885 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.398 12.459 -3.194 1.00 0.00 H new ATOM 269 N LEU A 23 -5.835 5.402 0.546 1.00 0.00 N ATOM 270 CA LEU A 23 -5.382 4.153 1.177 1.00 0.00 C ATOM 271 C LEU A 23 -3.908 4.280 1.555 1.00 0.00 C ATOM 272 O LEU A 23 -3.062 4.590 0.714 1.00 0.00 O ATOM 273 CB LEU A 23 -5.613 2.935 0.252 1.00 0.00 C ATOM 274 CG LEU A 23 -4.972 1.592 0.691 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.388 1.204 2.105 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.358 0.481 -0.279 1.00 0.00 C ATOM 0 H LEU A 23 -5.786 5.401 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.970 3.985 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.688 2.782 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.234 3.184 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.891 1.728 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.919 0.258 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.071 1.979 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.472 1.097 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.902 -0.456 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.442 0.370 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.006 0.733 -1.279 1.00 0.00 H new ATOM 288 N ASN A 24 -3.622 4.064 2.826 1.00 0.00 N ATOM 289 CA ASN A 24 -2.267 4.247 3.362 1.00 0.00 C ATOM 290 C ASN A 24 -1.620 2.900 3.661 1.00 0.00 C ATOM 291 O ASN A 24 -2.119 2.119 4.472 1.00 0.00 O ATOM 292 CB ASN A 24 -2.280 5.168 4.614 1.00 0.00 C ATOM 293 CG ASN A 24 -1.259 4.788 5.672 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.531 3.971 6.546 1.00 0.00 O ATOM 295 ND2 ASN A 24 -0.093 5.406 5.625 1.00 0.00 N ATOM 0 H ASN A 24 -4.308 3.760 3.517 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.663 4.743 2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.096 6.195 4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.275 5.145 5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.617 5.210 6.331 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.098 6.079 4.883 1.00 0.00 H new ATOM 302 N CYS A 25 -0.523 2.618 2.969 1.00 0.00 N ATOM 303 CA CYS A 25 0.220 1.379 3.132 1.00 0.00 C ATOM 304 C CYS A 25 1.633 1.715 3.617 1.00 0.00 C ATOM 305 O CYS A 25 2.416 2.294 2.863 1.00 0.00 O ATOM 306 CB CYS A 25 0.303 0.691 1.755 1.00 0.00 C ATOM 307 SG CYS A 25 -1.251 0.741 0.799 1.00 0.00 S ATOM 0 H CYS A 25 -0.123 3.249 2.274 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.268 0.724 3.854 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.091 1.166 1.171 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.595 -0.349 1.898 1.00 0.00 H new ATOM 312 N TYR A 26 1.969 1.377 4.862 1.00 0.00 N ATOM 313 CA TYR A 26 3.313 1.640 5.369 1.00 0.00 C ATOM 314 C TYR A 26 4.218 0.472 5.029 1.00 0.00 C ATOM 315 O TYR A 26 3.826 -0.683 5.186 1.00 0.00 O ATOM 316 CB TYR A 26 3.351 1.819 6.894 1.00 0.00 C ATOM 317 CG TYR A 26 2.628 3.024 7.457 1.00 0.00 C ATOM 318 CD1 TYR A 26 3.234 4.272 7.479 1.00 0.00 C ATOM 319 CD2 TYR A 26 1.360 2.902 8.011 1.00 0.00 C ATOM 320 CE1 TYR A 26 2.597 5.367 8.032 1.00 0.00 C ATOM 321 CE2 TYR A 26 0.714 3.993 8.561 1.00 0.00 C ATOM 322 CZ TYR A 26 1.338 5.223 8.571 1.00 0.00 C ATOM 323 OH TYR A 26 0.702 6.309 9.130 1.00 0.00 O ATOM 0 H TYR A 26 1.340 0.928 5.528 1.00 0.00 H new ATOM 0 HA TYR A 26 3.645 2.567 4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.929 0.925 7.352 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.395 1.873 7.204 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.221 4.390 7.057 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.871 1.939 8.012 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.084 6.331 8.041 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.275 3.883 8.981 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.178 6.037 9.463 1.00 0.00 H new ATOM 333 N VAL A 27 5.424 0.767 4.583 1.00 0.00 N ATOM 334 CA VAL A 27 6.423 -0.258 4.338 1.00 0.00 C ATOM 335 C VAL A 27 7.747 0.216 4.958 1.00 0.00 C ATOM 336 O VAL A 27 8.403 1.108 4.426 1.00 0.00 O ATOM 337 CB VAL A 27 6.607 -0.509 2.819 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.630 -1.604 2.580 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.281 -0.872 2.151 1.00 0.00 C ATOM 0 H VAL A 27 5.738 1.716 4.381 1.00 0.00 H new ATOM 0 HA VAL A 27 6.101 -1.197 4.787 1.00 0.00 H new ATOM 0 HB VAL A 27 6.969 0.417 2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.746 -1.766 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.588 -1.307 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.292 -2.527 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.444 -1.042 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.881 -1.778 2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.571 -0.055 2.284 1.00 0.00 H new ATOM 349 N SER A 28 8.132 -0.369 6.085 1.00 0.00 N ATOM 350 CA SER A 28 9.231 0.179 6.883 1.00 0.00 C ATOM 351 C SER A 28 10.358 -0.847 7.134 1.00 0.00 C ATOM 352 O SER A 28 10.099 -1.987 7.519 1.00 0.00 O ATOM 353 CB SER A 28 8.647 0.720 8.202 1.00 0.00 C ATOM 354 OG SER A 28 7.804 1.834 7.966 1.00 0.00 O ATOM 0 H SER A 28 7.708 -1.214 6.468 1.00 0.00 H new ATOM 0 HA SER A 28 9.702 0.988 6.325 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.084 -0.067 8.704 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.458 1.008 8.871 1.00 0.00 H new ATOM 0 HG SER A 28 7.444 2.158 8.818 1.00 0.00 H new ATOM 360 N GLY A 29 11.617 -0.420 6.911 1.00 0.00 N ATOM 361 CA GLY A 29 12.777 -1.311 7.065 1.00 0.00 C ATOM 362 C GLY A 29 13.345 -1.737 5.731 1.00 0.00 C ATOM 363 O GLY A 29 14.367 -2.416 5.666 1.00 0.00 O ATOM 0 H GLY A 29 11.852 0.531 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.550 -0.804 7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.483 -2.194 7.632 1.00 0.00 H new ATOM 367 N PHE A 30 12.688 -1.325 4.667 1.00 0.00 N ATOM 368 CA PHE A 30 13.120 -1.669 3.323 1.00 0.00 C ATOM 369 C PHE A 30 13.573 -0.429 2.576 1.00 0.00 C ATOM 370 O PHE A 30 12.736 0.357 2.136 1.00 0.00 O ATOM 371 CB PHE A 30 11.974 -2.309 2.550 1.00 0.00 C ATOM 372 CG PHE A 30 11.314 -3.469 3.274 1.00 0.00 C ATOM 373 CD1 PHE A 30 10.347 -3.245 4.252 1.00 0.00 C ATOM 374 CD2 PHE A 30 11.661 -4.784 2.976 1.00 0.00 C ATOM 375 CE1 PHE A 30 9.740 -4.305 4.910 1.00 0.00 C ATOM 376 CE2 PHE A 30 11.058 -5.846 3.635 1.00 0.00 C ATOM 377 CZ PHE A 30 10.098 -5.601 4.599 1.00 0.00 C ATOM 0 H PHE A 30 11.848 -0.748 4.705 1.00 0.00 H new ATOM 0 HA PHE A 30 13.950 -2.370 3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.221 -1.549 2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.349 -2.660 1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.066 -2.232 4.501 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.409 -4.980 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.990 -4.116 5.663 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.338 -6.861 3.395 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.626 -6.427 5.111 1.00 0.00 H new ATOM 387 N HIS A 31 14.885 -0.214 2.505 1.00 0.00 N ATOM 388 CA HIS A 31 15.465 0.836 1.659 1.00 0.00 C ATOM 389 C HIS A 31 14.734 0.956 0.319 1.00 0.00 C ATOM 390 O HIS A 31 14.763 0.035 -0.498 1.00 0.00 O ATOM 391 CB HIS A 31 16.951 0.554 1.431 1.00 0.00 C ATOM 392 CG HIS A 31 17.759 0.592 2.694 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.090 -0.563 3.356 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.261 1.653 3.377 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.781 -0.187 4.419 1.00 0.00 C ATOM 396 NE2 HIS A 31 18.909 1.145 4.473 1.00 0.00 N ATOM 0 H HIS A 31 15.574 -0.756 3.026 1.00 0.00 H new ATOM 0 HA HIS A 31 15.350 1.788 2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.061 -0.426 0.966 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.350 1.287 0.730 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.168 2.695 3.109 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.190 -0.868 5.151 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.396 1.680 5.192 1.00 0.00 H new ATOM 404 N PRO A 32 14.087 2.120 0.097 1.00 0.00 N ATOM 405 CA PRO A 32 13.182 2.371 -1.045 1.00 0.00 C ATOM 406 C PRO A 32 13.765 2.017 -2.417 1.00 0.00 C ATOM 407 O PRO A 32 13.017 1.787 -3.368 1.00 0.00 O ATOM 408 CB PRO A 32 12.914 3.878 -0.965 1.00 0.00 C ATOM 409 CG PRO A 32 13.122 4.231 0.466 1.00 0.00 C ATOM 410 CD PRO A 32 14.190 3.299 0.976 1.00 0.00 C ATOM 0 HA PRO A 32 12.296 1.740 -0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.593 4.434 -1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.900 4.116 -1.287 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.431 5.271 0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.199 4.114 1.034 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.178 3.755 0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.023 3.034 2.020 1.00 0.00 H new ATOM 418 N SER A 33 15.084 1.963 -2.515 1.00 0.00 N ATOM 419 CA SER A 33 15.747 1.767 -3.795 1.00 0.00 C ATOM 420 C SER A 33 15.382 0.427 -4.461 1.00 0.00 C ATOM 421 O SER A 33 15.017 0.408 -5.639 1.00 0.00 O ATOM 422 CB SER A 33 17.271 1.904 -3.633 1.00 0.00 C ATOM 423 OG SER A 33 17.960 1.483 -4.802 1.00 0.00 O ATOM 0 H SER A 33 15.718 2.052 -1.721 1.00 0.00 H new ATOM 0 HA SER A 33 15.387 2.549 -4.464 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.523 2.942 -3.415 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.602 1.310 -2.781 1.00 0.00 H new ATOM 0 HG SER A 33 17.973 0.504 -4.839 1.00 0.00 H new ATOM 429 N ASP A 34 15.461 -0.690 -3.729 1.00 0.00 N ATOM 430 CA ASP A 34 15.322 -2.005 -4.376 1.00 0.00 C ATOM 431 C ASP A 34 14.073 -2.762 -3.919 1.00 0.00 C ATOM 432 O ASP A 34 14.109 -3.987 -3.786 1.00 0.00 O ATOM 433 CB ASP A 34 16.557 -2.898 -4.124 1.00 0.00 C ATOM 434 CG ASP A 34 17.875 -2.214 -4.460 1.00 0.00 C ATOM 435 OD1 ASP A 34 17.865 -1.212 -5.202 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.934 -2.679 -3.989 1.00 0.00 O ATOM 0 H ASP A 34 15.615 -0.716 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 34 15.230 -1.793 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.570 -3.201 -3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.466 -3.807 -4.718 1.00 0.00 H new ATOM 441 N ILE A 35 12.967 -2.062 -3.674 1.00 0.00 N ATOM 442 CA ILE A 35 11.727 -2.745 -3.300 1.00 0.00 C ATOM 443 C ILE A 35 10.602 -2.397 -4.269 1.00 0.00 C ATOM 444 O ILE A 35 10.703 -1.431 -5.025 1.00 0.00 O ATOM 445 CB ILE A 35 11.267 -2.415 -1.846 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.191 -1.303 -1.825 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.459 -2.036 -0.969 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.661 -0.999 -0.439 1.00 0.00 C ATOM 0 H ILE A 35 12.901 -1.045 -3.725 1.00 0.00 H new ATOM 0 HA ILE A 35 11.946 -3.812 -3.348 1.00 0.00 H new ATOM 0 HB ILE A 35 10.813 -3.317 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.613 -0.393 -2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.361 -1.600 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.112 -1.811 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.163 -2.867 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.954 -1.159 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.911 -0.210 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.209 -1.897 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.481 -0.671 0.200 1.00 0.00 H new ATOM 460 N GLU A 36 9.542 -3.195 -4.242 1.00 0.00 N ATOM 461 CA GLU A 36 8.359 -2.936 -5.045 1.00 0.00 C ATOM 462 C GLU A 36 7.103 -3.046 -4.189 1.00 0.00 C ATOM 463 O GLU A 36 6.904 -4.039 -3.490 1.00 0.00 O ATOM 464 CB GLU A 36 8.274 -3.906 -6.211 1.00 0.00 C ATOM 465 CG GLU A 36 9.096 -3.460 -7.421 1.00 0.00 C ATOM 466 CD GLU A 36 8.600 -2.155 -8.012 1.00 0.00 C ATOM 467 OE1 GLU A 36 9.147 -1.088 -7.664 1.00 0.00 O ATOM 468 OE2 GLU A 36 7.672 -2.198 -8.850 1.00 0.00 O ATOM 0 H GLU A 36 9.480 -4.034 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 36 8.434 -1.923 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.619 -4.887 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.231 -4.018 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.139 -3.348 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.063 -4.237 -8.185 1.00 0.00 H new ATOM 475 N VAL A 37 6.282 -2.015 -4.241 1.00 0.00 N ATOM 476 CA VAL A 37 5.029 -1.966 -3.480 1.00 0.00 C ATOM 477 C VAL A 37 3.894 -1.401 -4.346 1.00 0.00 C ATOM 478 O VAL A 37 4.069 -0.394 -5.036 1.00 0.00 O ATOM 479 CB VAL A 37 5.174 -1.152 -2.146 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.445 -0.321 -2.146 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.964 -0.262 -1.891 1.00 0.00 C ATOM 0 H VAL A 37 6.456 -1.185 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 37 4.780 -2.990 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 37 5.233 -1.879 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.518 0.232 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.309 -0.978 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.421 0.380 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.104 0.284 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.853 0.446 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.068 -0.878 -1.819 1.00 0.00 H new ATOM 491 N ASP A 38 2.734 -2.056 -4.307 1.00 0.00 N ATOM 492 CA ASP A 38 1.563 -1.607 -5.066 1.00 0.00 C ATOM 493 C ASP A 38 0.330 -1.645 -4.161 1.00 0.00 C ATOM 494 O ASP A 38 0.342 -2.289 -3.109 1.00 0.00 O ATOM 495 CB ASP A 38 1.294 -2.497 -6.308 1.00 0.00 C ATOM 496 CG ASP A 38 2.283 -2.313 -7.445 1.00 0.00 C ATOM 497 OD1 ASP A 38 1.980 -1.536 -8.382 1.00 0.00 O ATOM 498 OD2 ASP A 38 3.333 -2.989 -7.444 1.00 0.00 O ATOM 0 H ASP A 38 2.578 -2.901 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 38 1.765 -0.593 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.307 -3.542 -5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.291 -2.286 -6.679 1.00 0.00 H new ATOM 503 N LEU A 39 -0.732 -0.966 -4.581 1.00 0.00 N ATOM 504 CA LEU A 39 -1.993 -0.983 -3.848 1.00 0.00 C ATOM 505 C LEU A 39 -3.020 -1.797 -4.632 1.00 0.00 C ATOM 506 O LEU A 39 -3.228 -1.564 -5.827 1.00 0.00 O ATOM 507 CB LEU A 39 -2.491 0.448 -3.573 1.00 0.00 C ATOM 508 CG LEU A 39 -2.001 1.067 -2.250 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.494 1.272 -2.253 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.704 2.383 -1.964 1.00 0.00 C ATOM 0 H LEU A 39 -0.745 -0.396 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.841 -1.456 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.176 1.090 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.581 0.443 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.249 0.361 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.185 1.710 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.004 0.312 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.219 1.941 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.337 2.795 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.502 3.086 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.778 2.213 -1.891 1.00 0.00 H new ATOM 522 N LEU A 40 -3.633 -2.777 -3.965 1.00 0.00 N ATOM 523 CA LEU A 40 -4.460 -3.778 -4.637 1.00 0.00 C ATOM 524 C LEU A 40 -5.902 -3.818 -4.132 1.00 0.00 C ATOM 525 O LEU A 40 -6.253 -3.217 -3.118 1.00 0.00 O ATOM 526 CB LEU A 40 -3.888 -5.189 -4.435 1.00 0.00 C ATOM 527 CG LEU A 40 -2.420 -5.420 -4.807 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.161 -6.917 -4.925 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.042 -4.719 -6.104 1.00 0.00 C ATOM 0 H LEU A 40 -3.571 -2.898 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.454 -3.482 -5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.014 -5.456 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.495 -5.884 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.800 -4.994 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.117 -7.086 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.376 -7.400 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.804 -7.338 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.993 -4.910 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.662 -5.098 -6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.200 -3.646 -5.997 1.00 0.00 H new ATOM 541 N LYS A 41 -6.712 -4.564 -4.877 1.00 0.00 N ATOM 542 CA LYS A 41 -8.061 -4.949 -4.495 1.00 0.00 C ATOM 543 C LYS A 41 -8.143 -6.449 -4.602 1.00 0.00 C ATOM 544 O LYS A 41 -8.160 -6.954 -5.720 1.00 0.00 O ATOM 545 CB LYS A 41 -9.094 -4.374 -5.474 1.00 0.00 C ATOM 546 CG LYS A 41 -8.674 -3.036 -6.054 1.00 0.00 C ATOM 547 CD LYS A 41 -9.620 -2.479 -7.170 1.00 0.00 C ATOM 548 CE LYS A 41 -11.154 -2.587 -6.932 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.886 -2.346 -8.201 1.00 0.00 N ATOM 0 H LYS A 41 -6.437 -4.927 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.268 -4.580 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.252 -5.083 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.049 -4.259 -4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.619 -2.306 -5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.669 -3.133 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.377 -1.428 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.386 -2.999 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.401 -3.575 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.465 -1.862 -6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.909 -2.420 -8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.662 -1.394 -8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.600 -3.054 -8.907 1.00 0.00 H new ATOM 563 N ASN A 42 -8.213 -7.163 -3.476 1.00 0.00 N ATOM 564 CA ASN A 42 -8.253 -8.632 -3.492 1.00 0.00 C ATOM 565 C ASN A 42 -7.318 -9.209 -4.561 1.00 0.00 C ATOM 566 O ASN A 42 -7.708 -10.057 -5.363 1.00 0.00 O ATOM 567 CB ASN A 42 -9.705 -9.144 -3.668 1.00 0.00 C ATOM 568 CG ASN A 42 -10.523 -8.322 -4.653 1.00 0.00 C ATOM 569 OD1 ASN A 42 -10.673 -8.684 -5.821 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.016 -7.180 -4.185 1.00 0.00 N ATOM 0 H ASN A 42 -8.243 -6.752 -2.543 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.891 -8.985 -2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.678 -10.180 -4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.204 -9.138 -2.699 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.544 -6.562 -4.801 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.866 -6.922 -3.210 1.00 0.00 H new ATOM 577 N GLY A 43 -6.070 -8.744 -4.543 1.00 0.00 N ATOM 578 CA GLY A 43 -5.094 -9.191 -5.522 1.00 0.00 C ATOM 579 C GLY A 43 -5.255 -8.586 -6.916 1.00 0.00 C ATOM 580 O GLY A 43 -4.849 -9.199 -7.903 1.00 0.00 O ATOM 0 H GLY A 43 -5.718 -8.066 -3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.096 -8.954 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.154 -10.276 -5.604 1.00 0.00 H new ATOM 584 N GLU A 44 -5.839 -7.401 -7.018 1.00 0.00 N ATOM 585 CA GLU A 44 -6.024 -6.746 -8.315 1.00 0.00 C ATOM 586 C GLU A 44 -5.451 -5.327 -8.258 1.00 0.00 C ATOM 587 O GLU A 44 -5.836 -4.533 -7.405 1.00 0.00 O ATOM 588 CB GLU A 44 -7.515 -6.725 -8.687 1.00 0.00 C ATOM 589 CG GLU A 44 -7.818 -6.139 -10.062 1.00 0.00 C ATOM 590 CD GLU A 44 -7.141 -6.902 -11.178 1.00 0.00 C ATOM 591 OE1 GLU A 44 -6.108 -6.426 -11.687 1.00 0.00 O ATOM 592 OE2 GLU A 44 -7.640 -7.983 -11.553 1.00 0.00 O ATOM 0 H GLU A 44 -6.194 -6.870 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.492 -7.304 -9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.900 -7.744 -8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.056 -6.151 -7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.896 -6.142 -10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.495 -5.098 -10.089 1.00 0.00 H new ATOM 599 N ARG A 45 -4.502 -5.034 -9.143 1.00 0.00 N ATOM 600 CA ARG A 45 -3.806 -3.745 -9.130 1.00 0.00 C ATOM 601 C ARG A 45 -4.788 -2.594 -9.375 1.00 0.00 C ATOM 602 O ARG A 45 -5.490 -2.558 -10.384 1.00 0.00 O ATOM 603 CB ARG A 45 -2.677 -3.730 -10.186 1.00 0.00 C ATOM 604 CG ARG A 45 -1.370 -3.097 -9.701 1.00 0.00 C ATOM 605 CD ARG A 45 -0.325 -2.951 -10.815 1.00 0.00 C ATOM 606 NE ARG A 45 -0.691 -1.907 -11.770 1.00 0.00 N ATOM 607 CZ ARG A 45 -0.051 -0.741 -11.887 1.00 0.00 C ATOM 608 NH1 ARG A 45 0.944 -0.433 -11.057 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.425 0.129 -12.819 1.00 0.00 N ATOM 0 H ARG A 45 -4.195 -5.670 -9.879 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.360 -3.607 -8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.476 -4.754 -10.501 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.025 -3.188 -11.066 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.583 -2.115 -9.279 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.954 -3.705 -8.898 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.645 -2.717 -10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.217 -3.901 -11.339 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.485 -2.080 -12.386 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.221 -1.089 -10.327 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.429 0.459 -11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.200 -0.094 -13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.063 1.020 -12.910 1.00 0.00 H new ATOM 623 N ILE A 46 -4.839 -1.676 -8.407 1.00 0.00 N ATOM 624 CA ILE A 46 -5.718 -0.510 -8.466 1.00 0.00 C ATOM 625 C ILE A 46 -5.316 0.432 -9.601 1.00 0.00 C ATOM 626 O ILE A 46 -6.115 0.678 -10.501 1.00 0.00 O ATOM 627 CB ILE A 46 -5.703 0.245 -7.119 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.150 -0.701 -5.999 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.600 1.478 -7.181 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.081 -0.113 -4.612 1.00 0.00 C ATOM 0 H ILE A 46 -4.271 -1.722 -7.561 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.729 -0.865 -8.663 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.689 0.585 -6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.175 -1.015 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.530 -1.597 -6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.575 1.995 -6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.244 2.148 -7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.623 1.173 -7.402 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.416 -0.854 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.053 0.175 -4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.724 0.766 -4.557 1.00 0.00 H new ATOM 642 N GLU A 47 -4.127 1.039 -9.458 1.00 0.00 N ATOM 643 CA GLU A 47 -3.367 1.687 -10.555 1.00 0.00 C ATOM 644 C GLU A 47 -3.209 3.179 -10.319 1.00 0.00 C ATOM 645 O GLU A 47 -2.199 3.759 -10.714 1.00 0.00 O ATOM 646 CB GLU A 47 -3.951 1.480 -11.966 1.00 0.00 C ATOM 647 CG GLU A 47 -3.955 0.034 -12.436 1.00 0.00 C ATOM 648 CD GLU A 47 -3.860 -0.091 -13.938 1.00 0.00 C ATOM 649 OE1 GLU A 47 -2.738 -0.311 -14.443 1.00 0.00 O ATOM 650 OE2 GLU A 47 -4.905 0.008 -14.615 1.00 0.00 O ATOM 0 H GLU A 47 -3.651 1.098 -8.558 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.401 1.182 -10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.973 1.858 -11.982 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.379 2.078 -12.675 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.119 -0.495 -11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.867 -0.453 -12.092 1.00 0.00 H new ATOM 657 N LYS A 48 -4.181 3.817 -9.669 1.00 0.00 N ATOM 658 CA LYS A 48 -4.132 5.261 -9.478 1.00 0.00 C ATOM 659 C LYS A 48 -3.277 5.578 -8.264 1.00 0.00 C ATOM 660 O LYS A 48 -3.701 6.297 -7.359 1.00 0.00 O ATOM 661 CB LYS A 48 -5.546 5.830 -9.274 1.00 0.00 C ATOM 662 CG LYS A 48 -6.610 5.259 -10.221 1.00 0.00 C ATOM 663 CD LYS A 48 -6.144 5.261 -11.672 1.00 0.00 C ATOM 664 CE LYS A 48 -5.868 6.666 -12.176 1.00 0.00 C ATOM 665 NZ LYS A 48 -5.260 6.658 -13.531 1.00 0.00 N ATOM 0 H LYS A 48 -5.002 3.361 -9.271 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.699 5.718 -10.368 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.855 5.640 -8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.509 6.912 -9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.854 4.240 -9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.525 5.845 -10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.240 4.658 -11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.904 4.794 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.799 7.233 -12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.201 7.176 -11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.087 7.636 -13.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.359 6.139 -13.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.908 6.194 -14.199 1.00 0.00 H new ATOM 679 N VAL A 49 -2.071 5.046 -8.255 1.00 0.00 N ATOM 680 CA VAL A 49 -1.202 5.154 -7.110 1.00 0.00 C ATOM 681 C VAL A 49 0.078 5.837 -7.558 1.00 0.00 C ATOM 682 O VAL A 49 0.603 5.534 -8.630 1.00 0.00 O ATOM 683 CB VAL A 49 -0.901 3.762 -6.477 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.430 3.193 -6.934 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.940 3.837 -4.965 1.00 0.00 C ATOM 0 H VAL A 49 -1.671 4.530 -9.039 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.694 5.742 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.683 3.087 -6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.592 2.223 -6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.422 3.075 -8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.233 3.872 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.727 2.853 -4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.192 4.549 -4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.929 4.162 -4.642 1.00 0.00 H new ATOM 695 N GLU A 50 0.544 6.792 -6.783 1.00 0.00 N ATOM 696 CA GLU A 50 1.758 7.499 -7.148 1.00 0.00 C ATOM 697 C GLU A 50 2.649 7.810 -5.961 1.00 0.00 C ATOM 698 O GLU A 50 2.280 8.564 -5.065 1.00 0.00 O ATOM 699 CB GLU A 50 1.428 8.790 -7.909 1.00 0.00 C ATOM 700 CG GLU A 50 1.292 8.596 -9.413 1.00 0.00 C ATOM 701 CD GLU A 50 2.619 8.248 -10.062 1.00 0.00 C ATOM 702 OE1 GLU A 50 3.052 8.989 -10.972 1.00 0.00 O ATOM 703 OE2 GLU A 50 3.254 7.254 -9.652 1.00 0.00 O ATOM 0 H GLU A 50 0.112 7.095 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 50 2.317 6.825 -7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.498 9.203 -7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.209 9.525 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.571 7.803 -9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.896 9.507 -9.862 1.00 0.00 H new ATOM 710 N HIS A 51 3.808 7.178 -5.959 1.00 0.00 N ATOM 711 CA HIS A 51 4.931 7.600 -5.156 1.00 0.00 C ATOM 712 C HIS A 51 6.186 7.244 -5.920 1.00 0.00 C ATOM 713 O HIS A 51 6.359 6.101 -6.344 1.00 0.00 O ATOM 714 CB HIS A 51 4.928 6.937 -3.774 1.00 0.00 C ATOM 715 CG HIS A 51 6.145 7.246 -2.949 1.00 0.00 C ATOM 716 ND1 HIS A 51 6.875 6.251 -2.347 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.703 8.443 -2.651 1.00 0.00 C ATOM 718 CE1 HIS A 51 7.851 6.861 -1.698 1.00 0.00 C ATOM 719 NE2 HIS A 51 7.787 8.189 -1.853 1.00 0.00 N ATOM 0 H HIS A 51 3.994 6.348 -6.523 1.00 0.00 H new ATOM 0 HA HIS A 51 4.875 8.674 -4.977 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.040 7.259 -3.229 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.851 5.857 -3.900 1.00 0.00 H new ATOM 0 HD1 HIS A 51 6.700 5.247 -2.392 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.359 9.413 -2.980 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.605 6.352 -1.116 1.00 0.00 H new ATOM 727 N SER A 52 7.024 8.224 -6.145 1.00 0.00 N ATOM 728 CA SER A 52 8.232 8.017 -6.918 1.00 0.00 C ATOM 729 C SER A 52 9.401 7.769 -5.982 1.00 0.00 C ATOM 730 O SER A 52 9.561 8.460 -4.974 1.00 0.00 O ATOM 731 CB SER A 52 8.501 9.243 -7.794 1.00 0.00 C ATOM 732 OG SER A 52 9.637 9.055 -8.622 1.00 0.00 O ATOM 0 H SER A 52 6.895 9.177 -5.805 1.00 0.00 H new ATOM 0 HA SER A 52 8.107 7.147 -7.562 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.628 9.446 -8.414 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.653 10.117 -7.161 1.00 0.00 H new ATOM 0 HG SER A 52 9.779 9.856 -9.169 1.00 0.00 H new ATOM 738 N ASP A 53 10.202 6.764 -6.311 1.00 0.00 N ATOM 739 CA ASP A 53 11.311 6.366 -5.461 1.00 0.00 C ATOM 740 C ASP A 53 12.374 7.452 -5.425 1.00 0.00 C ATOM 741 O ASP A 53 12.545 8.217 -6.377 1.00 0.00 O ATOM 742 CB ASP A 53 11.915 5.039 -5.929 1.00 0.00 C ATOM 743 CG ASP A 53 12.739 5.171 -7.194 1.00 0.00 C ATOM 744 OD1 ASP A 53 13.986 5.058 -7.115 1.00 0.00 O ATOM 745 OD2 ASP A 53 12.149 5.377 -8.276 1.00 0.00 O ATOM 0 H ASP A 53 10.102 6.210 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 53 10.926 6.224 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.542 4.633 -5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.112 4.322 -6.099 1.00 0.00 H new ATOM 750 N LEU A 54 13.086 7.504 -4.320 1.00 0.00 N ATOM 751 CA LEU A 54 14.044 8.568 -4.070 1.00 0.00 C ATOM 752 C LEU A 54 15.402 7.965 -3.755 1.00 0.00 C ATOM 753 O LEU A 54 16.151 8.482 -2.922 1.00 0.00 O ATOM 754 CB LEU A 54 13.585 9.503 -2.911 1.00 0.00 C ATOM 755 CG LEU A 54 12.775 8.884 -1.727 1.00 0.00 C ATOM 756 CD1 LEU A 54 11.385 8.406 -2.142 1.00 0.00 C ATOM 757 CD2 LEU A 54 13.531 7.748 -1.045 1.00 0.00 C ATOM 0 H LEU A 54 13.020 6.815 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 54 14.113 9.179 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.475 9.973 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.979 10.298 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 54 12.647 9.696 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.871 7.986 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.812 9.248 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.478 7.643 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.929 7.349 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 54 13.731 6.958 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.474 8.125 -0.650 1.00 0.00 H new ATOM 769 N SER A 55 15.722 6.886 -4.460 1.00 0.00 N ATOM 770 CA SER A 55 16.844 6.036 -4.108 1.00 0.00 C ATOM 771 C SER A 55 18.181 6.762 -4.146 1.00 0.00 C ATOM 772 O SER A 55 18.910 6.766 -3.153 1.00 0.00 O ATOM 773 CB SER A 55 16.865 4.836 -5.048 1.00 0.00 C ATOM 774 OG SER A 55 16.624 5.240 -6.389 1.00 0.00 O ATOM 0 H SER A 55 15.211 6.580 -5.288 1.00 0.00 H new ATOM 0 HA SER A 55 16.705 5.714 -3.076 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.830 4.334 -4.983 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.109 4.114 -4.740 1.00 0.00 H new ATOM 0 HG SER A 55 15.669 5.152 -6.590 1.00 0.00 H new ATOM 780 N PHE A 56 18.480 7.384 -5.285 1.00 0.00 N ATOM 781 CA PHE A 56 19.746 8.088 -5.510 1.00 0.00 C ATOM 782 C PHE A 56 20.933 7.115 -5.562 1.00 0.00 C ATOM 783 O PHE A 56 21.677 7.097 -6.541 1.00 0.00 O ATOM 784 CB PHE A 56 19.982 9.170 -4.447 1.00 0.00 C ATOM 785 CG PHE A 56 21.239 9.963 -4.669 1.00 0.00 C ATOM 786 CD1 PHE A 56 22.343 9.784 -3.852 1.00 0.00 C ATOM 787 CD2 PHE A 56 21.318 10.882 -5.703 1.00 0.00 C ATOM 788 CE1 PHE A 56 23.502 10.508 -4.062 1.00 0.00 C ATOM 789 CE2 PHE A 56 22.472 11.609 -5.917 1.00 0.00 C ATOM 790 CZ PHE A 56 23.566 11.422 -5.095 1.00 0.00 C ATOM 0 H PHE A 56 17.848 7.415 -6.085 1.00 0.00 H new ATOM 0 HA PHE A 56 19.671 8.577 -6.481 1.00 0.00 H new ATOM 0 HB2 PHE A 56 19.130 9.850 -4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 56 20.027 8.700 -3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 56 22.298 9.071 -3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.466 11.031 -6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 56 24.357 10.359 -3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.519 12.323 -6.726 1.00 0.00 H new ATOM 0 HZ PHE A 56 24.470 11.990 -5.260 1.00 0.00 H new ATOM 800 N SER A 57 21.103 6.307 -4.519 1.00 0.00 N ATOM 801 CA SER A 57 22.195 5.347 -4.466 1.00 0.00 C ATOM 802 C SER A 57 21.778 4.092 -3.698 1.00 0.00 C ATOM 803 O SER A 57 21.347 3.108 -4.301 1.00 0.00 O ATOM 804 CB SER A 57 23.446 5.985 -3.847 1.00 0.00 C ATOM 805 OG SER A 57 23.173 6.552 -2.572 1.00 0.00 O ATOM 0 H SER A 57 20.496 6.300 -3.699 1.00 0.00 H new ATOM 0 HA SER A 57 22.439 5.048 -5.485 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.228 5.232 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 57 23.828 6.758 -4.514 1.00 0.00 H new ATOM 0 HG SER A 57 23.992 6.947 -2.208 1.00 0.00 H new ATOM 811 N LYS A 58 21.883 4.130 -2.374 1.00 0.00 N ATOM 812 CA LYS A 58 21.487 2.993 -1.552 1.00 0.00 C ATOM 813 C LYS A 58 20.152 3.262 -0.866 1.00 0.00 C ATOM 814 O LYS A 58 19.429 2.327 -0.511 1.00 0.00 O ATOM 815 CB LYS A 58 22.561 2.663 -0.507 1.00 0.00 C ATOM 816 CG LYS A 58 22.279 1.386 0.273 1.00 0.00 C ATOM 817 CD LYS A 58 22.171 0.185 -0.656 1.00 0.00 C ATOM 818 CE LYS A 58 21.706 -1.065 0.074 1.00 0.00 C ATOM 819 NZ LYS A 58 22.602 -1.422 1.206 1.00 0.00 N ATOM 0 H LYS A 58 22.237 4.930 -1.850 1.00 0.00 H new ATOM 0 HA LYS A 58 21.375 2.132 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 58 23.525 2.569 -1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 58 22.644 3.495 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 58 23.075 1.217 0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.352 1.498 0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 58 21.474 0.413 -1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 58 23.141 -0.005 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 58 20.694 -0.909 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 58 21.661 -1.898 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 22.305 -2.333 1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 23.581 -1.497 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.547 -0.685 1.938 1.00 0.00 H new ATOM 833 N ASP A 59 19.834 4.549 -0.689 1.00 0.00 N ATOM 834 CA ASP A 59 18.561 4.990 -0.114 1.00 0.00 C ATOM 835 C ASP A 59 18.519 4.769 1.398 1.00 0.00 C ATOM 836 O ASP A 59 19.484 4.289 1.996 1.00 0.00 O ATOM 837 CB ASP A 59 17.375 4.306 -0.799 1.00 0.00 C ATOM 838 CG ASP A 59 16.165 5.208 -0.882 1.00 0.00 C ATOM 839 OD1 ASP A 59 15.419 5.105 -1.871 1.00 0.00 O ATOM 840 OD2 ASP A 59 15.963 6.028 0.038 1.00 0.00 O ATOM 0 H ASP A 59 20.456 5.317 -0.942 1.00 0.00 H new ATOM 0 HA ASP A 59 18.481 6.062 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.666 3.998 -1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 59 17.114 3.401 -0.251 1.00 0.00 H new ATOM 845 N TRP A 60 17.399 5.145 2.007 1.00 0.00 N ATOM 846 CA TRP A 60 17.241 5.110 3.452 1.00 0.00 C ATOM 847 C TRP A 60 15.756 5.051 3.809 1.00 0.00 C ATOM 848 O TRP A 60 15.013 6.007 3.596 1.00 0.00 O ATOM 849 CB TRP A 60 17.901 6.358 4.046 1.00 0.00 C ATOM 850 CG TRP A 60 17.935 6.441 5.548 1.00 0.00 C ATOM 851 CD1 TRP A 60 17.971 7.598 6.273 1.00 0.00 C ATOM 852 CD2 TRP A 60 17.954 5.360 6.512 1.00 0.00 C ATOM 853 NE1 TRP A 60 18.025 7.323 7.611 1.00 0.00 N ATOM 854 CE2 TRP A 60 18.015 5.961 7.793 1.00 0.00 C ATOM 855 CE3 TRP A 60 17.933 3.951 6.430 1.00 0.00 C ATOM 856 CZ2 TRP A 60 18.052 5.210 8.968 1.00 0.00 C ATOM 857 CZ3 TRP A 60 17.968 3.218 7.601 1.00 0.00 C ATOM 858 CH2 TRP A 60 18.029 3.844 8.851 1.00 0.00 C ATOM 0 H TRP A 60 16.575 5.483 1.509 1.00 0.00 H new ATOM 0 HA TRP A 60 17.720 4.222 3.865 1.00 0.00 H new ATOM 0 HB2 TRP A 60 18.925 6.413 3.677 1.00 0.00 H new ATOM 0 HB3 TRP A 60 17.378 7.236 3.666 1.00 0.00 H new ATOM 0 HD1 TRP A 60 17.959 8.591 5.849 1.00 0.00 H new ATOM 0 HE1 TRP A 60 18.066 8.018 8.356 1.00 0.00 H new ATOM 0 HE3 TRP A 60 17.890 3.456 5.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 18.097 5.688 9.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 17.948 2.139 7.550 1.00 0.00 H new ATOM 0 HH2 TRP A 60 18.059 3.237 9.744 1.00 0.00 H new ATOM 869 N SER A 61 15.327 3.912 4.333 1.00 0.00 N ATOM 870 CA SER A 61 13.924 3.702 4.663 1.00 0.00 C ATOM 871 C SER A 61 13.594 4.331 6.027 1.00 0.00 C ATOM 872 O SER A 61 13.983 3.788 7.062 1.00 0.00 O ATOM 873 CB SER A 61 13.627 2.201 4.702 1.00 0.00 C ATOM 874 OG SER A 61 12.231 1.943 4.746 1.00 0.00 O ATOM 0 H SER A 61 15.932 3.117 4.539 1.00 0.00 H new ATOM 0 HA SER A 61 13.307 4.177 3.900 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.058 1.722 3.823 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.107 1.758 5.575 1.00 0.00 H new ATOM 0 HG SER A 61 11.983 1.355 4.002 1.00 0.00 H new ATOM 880 N PHE A 62 12.895 5.471 6.052 1.00 0.00 N ATOM 881 CA PHE A 62 12.532 6.110 7.308 1.00 0.00 C ATOM 882 C PHE A 62 11.033 6.392 7.354 1.00 0.00 C ATOM 883 O PHE A 62 10.553 7.023 8.295 1.00 0.00 O ATOM 884 CB PHE A 62 13.307 7.427 7.463 1.00 0.00 C ATOM 885 CG PHE A 62 13.469 8.198 6.173 1.00 0.00 C ATOM 886 CD1 PHE A 62 14.730 8.567 5.733 1.00 0.00 C ATOM 887 CD2 PHE A 62 12.369 8.540 5.396 1.00 0.00 C ATOM 888 CE1 PHE A 62 14.893 9.259 4.545 1.00 0.00 C ATOM 889 CE2 PHE A 62 12.527 9.231 4.209 1.00 0.00 C ATOM 890 CZ PHE A 62 13.790 9.590 3.784 1.00 0.00 C ATOM 0 H PHE A 62 12.574 5.963 5.218 1.00 0.00 H new ATOM 0 HA PHE A 62 12.787 5.436 8.126 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.792 8.057 8.189 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.294 7.210 7.872 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.597 8.312 6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.378 8.263 5.723 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.882 9.540 4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.663 9.490 3.615 1.00 0.00 H new ATOM 0 HZ PHE A 62 13.915 10.129 2.857 1.00 0.00 H new ATOM 900 N TYR A 63 10.311 5.846 6.362 1.00 0.00 N ATOM 901 CA TYR A 63 8.909 6.209 6.081 1.00 0.00 C ATOM 902 C TYR A 63 8.598 6.024 4.589 1.00 0.00 C ATOM 903 O TYR A 63 8.835 6.923 3.784 1.00 0.00 O ATOM 904 CB TYR A 63 8.606 7.670 6.482 1.00 0.00 C ATOM 905 CG TYR A 63 7.122 8.039 6.451 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.624 8.995 5.561 1.00 0.00 C ATOM 907 CD2 TYR A 63 6.220 7.426 7.317 1.00 0.00 C ATOM 908 CE1 TYR A 63 5.272 9.330 5.550 1.00 0.00 C ATOM 909 CE2 TYR A 63 4.874 7.756 7.306 1.00 0.00 C ATOM 910 CZ TYR A 63 4.408 8.702 6.423 1.00 0.00 C ATOM 911 OH TYR A 63 3.068 9.026 6.416 1.00 0.00 O ATOM 0 H TYR A 63 10.683 5.138 5.729 1.00 0.00 H new ATOM 0 HA TYR A 63 8.279 5.548 6.677 1.00 0.00 H new ATOM 0 HB2 TYR A 63 8.991 7.845 7.487 1.00 0.00 H new ATOM 0 HB3 TYR A 63 9.148 8.338 5.812 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.298 9.481 4.871 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.576 6.679 8.011 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.903 10.077 4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.192 7.271 7.989 1.00 0.00 H new ATOM 0 HH TYR A 63 2.599 8.492 7.091 1.00 0.00 H new ATOM 921 N LEU A 64 8.101 4.847 4.222 1.00 0.00 N ATOM 922 CA LEU A 64 7.607 4.608 2.863 1.00 0.00 C ATOM 923 C LEU A 64 6.094 4.574 2.856 1.00 0.00 C ATOM 924 O LEU A 64 5.480 3.798 3.594 1.00 0.00 O ATOM 925 CB LEU A 64 8.120 3.259 2.353 1.00 0.00 C ATOM 926 CG LEU A 64 9.403 3.292 1.527 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.102 1.946 1.588 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.090 3.657 0.083 1.00 0.00 C ATOM 0 H LEU A 64 8.028 4.042 4.844 1.00 0.00 H new ATOM 0 HA LEU A 64 7.963 5.414 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.283 2.608 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.336 2.801 1.750 1.00 0.00 H new ATOM 0 HG LEU A 64 10.067 4.050 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.016 1.983 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.351 1.712 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.442 1.175 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.014 3.677 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.412 2.916 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.620 4.640 0.050 1.00 0.00 H new ATOM 940 N LEU A 65 5.496 5.417 2.027 1.00 0.00 N ATOM 941 CA LEU A 65 4.058 5.435 1.865 1.00 0.00 C ATOM 942 C LEU A 65 3.680 5.783 0.423 1.00 0.00 C ATOM 943 O LEU A 65 4.330 6.603 -0.219 1.00 0.00 O ATOM 944 CB LEU A 65 3.454 6.460 2.826 1.00 0.00 C ATOM 945 CG LEU A 65 1.971 6.771 2.617 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.131 5.523 2.808 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.516 7.871 3.563 1.00 0.00 C ATOM 0 H LEU A 65 5.992 6.100 1.455 1.00 0.00 H new ATOM 0 HA LEU A 65 3.664 4.444 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.591 6.100 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.017 7.389 2.738 1.00 0.00 H new ATOM 0 HG LEU A 65 1.836 7.121 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.079 5.765 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.437 4.765 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.272 5.141 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.458 8.078 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.667 7.550 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.096 8.775 3.376 1.00 0.00 H new ATOM 959 N TYR A 66 2.624 5.149 -0.063 1.00 0.00 N ATOM 960 CA TYR A 66 2.090 5.389 -1.399 1.00 0.00 C ATOM 961 C TYR A 66 0.618 5.790 -1.252 1.00 0.00 C ATOM 962 O TYR A 66 0.025 5.522 -0.210 1.00 0.00 O ATOM 963 CB TYR A 66 2.216 4.107 -2.248 1.00 0.00 C ATOM 964 CG TYR A 66 3.648 3.767 -2.663 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.629 3.447 -1.721 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.016 3.770 -4.005 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.926 3.145 -2.112 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.307 3.468 -4.399 1.00 0.00 C ATOM 969 CZ TYR A 66 6.255 3.158 -3.450 1.00 0.00 C ATOM 970 OH TYR A 66 7.540 2.865 -3.844 1.00 0.00 O ATOM 0 H TYR A 66 2.106 4.445 0.463 1.00 0.00 H new ATOM 0 HA TYR A 66 2.645 6.183 -1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.805 3.270 -1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.606 4.217 -3.145 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.374 3.434 -0.672 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.278 4.013 -4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.673 2.901 -1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.570 3.475 -5.446 1.00 0.00 H new ATOM 0 HH TYR A 66 7.603 2.918 -4.821 1.00 0.00 H new ATOM 980 N TYR A 67 0.011 6.411 -2.263 1.00 0.00 N ATOM 981 CA TYR A 67 -1.374 6.873 -2.102 1.00 0.00 C ATOM 982 C TYR A 67 -2.229 6.633 -3.349 1.00 0.00 C ATOM 983 O TYR A 67 -1.782 6.869 -4.472 1.00 0.00 O ATOM 984 CB TYR A 67 -1.440 8.351 -1.667 1.00 0.00 C ATOM 985 CG TYR A 67 -0.577 9.328 -2.458 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.675 9.713 -1.985 1.00 0.00 C ATOM 987 CD2 TYR A 67 -1.021 9.889 -3.653 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.454 10.624 -2.676 1.00 0.00 C ATOM 989 CE2 TYR A 67 -0.243 10.797 -4.350 1.00 0.00 C ATOM 990 CZ TYR A 67 0.992 11.160 -3.857 1.00 0.00 C ATOM 991 OH TYR A 67 1.767 12.070 -4.544 1.00 0.00 O ATOM 0 H TYR A 67 0.434 6.602 -3.171 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.799 6.266 -1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.477 8.681 -1.732 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.151 8.412 -0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.045 9.293 -1.061 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.989 9.611 -4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.420 10.913 -2.291 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.602 11.220 -5.277 1.00 0.00 H new ATOM 0 HH TYR A 67 1.298 12.351 -5.357 1.00 0.00 H new ATOM 1001 N THR A 68 -3.460 6.151 -3.132 1.00 0.00 N ATOM 1002 CA THR A 68 -4.408 5.895 -4.219 1.00 0.00 C ATOM 1003 C THR A 68 -5.840 6.243 -3.778 1.00 0.00 C ATOM 1004 O THR A 68 -6.193 6.090 -2.603 1.00 0.00 O ATOM 1005 CB THR A 68 -4.351 4.413 -4.687 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.788 4.312 -6.043 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.225 3.504 -3.835 1.00 0.00 C ATOM 0 H THR A 68 -3.823 5.930 -2.205 1.00 0.00 H new ATOM 0 HA THR A 68 -4.123 6.531 -5.057 1.00 0.00 H new ATOM 0 HB THR A 68 -3.315 4.091 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.740 5.193 -6.469 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.151 2.480 -4.202 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.889 3.543 -2.799 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.261 3.836 -3.894 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.628 6.763 -4.721 1.00 0.00 N ATOM 1016 CA GLU A 69 -8.050 7.067 -4.506 1.00 0.00 C ATOM 1017 C GLU A 69 -8.851 5.798 -4.196 1.00 0.00 C ATOM 1018 O GLU A 69 -8.801 4.838 -4.967 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.619 7.692 -5.790 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.873 8.535 -5.578 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.578 9.863 -4.916 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -9.745 9.973 -3.686 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -9.177 10.808 -5.630 1.00 0.00 O ATOM 0 H GLU A 69 -6.299 6.987 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.131 7.749 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.850 8.315 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.847 6.895 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.354 8.712 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.581 7.978 -4.965 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.594 5.773 -3.083 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.440 4.621 -2.782 1.00 0.00 C ATOM 1032 C PHE A 70 -11.892 5.011 -2.560 1.00 0.00 C ATOM 1033 O PHE A 70 -12.191 6.155 -2.245 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.898 3.867 -1.559 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.151 4.477 -0.187 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -9.094 4.692 0.676 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.427 4.802 0.249 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.302 5.217 1.942 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.639 5.332 1.505 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.578 5.539 2.354 1.00 0.00 C ATOM 0 H PHE A 70 -9.625 6.522 -2.391 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.413 3.966 -3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.326 2.865 -1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.821 3.755 -1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.091 4.447 0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.269 4.637 -0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.465 5.374 2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.640 5.585 1.822 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.743 5.952 3.338 1.00 0.00 H new ATOM 1050 N THR A 71 -12.787 4.061 -2.785 1.00 0.00 N ATOM 1051 CA THR A 71 -14.167 4.176 -2.328 1.00 0.00 C ATOM 1052 C THR A 71 -14.672 2.840 -1.766 1.00 0.00 C ATOM 1053 O THR A 71 -14.914 1.903 -2.531 1.00 0.00 O ATOM 1054 CB THR A 71 -15.079 4.638 -3.486 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.546 5.836 -4.068 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.493 4.901 -2.993 1.00 0.00 C ATOM 0 H THR A 71 -12.582 3.196 -3.285 1.00 0.00 H new ATOM 0 HA THR A 71 -14.198 4.919 -1.531 1.00 0.00 H new ATOM 0 HB THR A 71 -15.115 3.845 -4.233 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.124 6.128 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.115 5.225 -3.827 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.906 3.987 -2.566 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.474 5.680 -2.231 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.841 2.717 -0.422 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.230 1.445 0.180 1.00 0.00 C ATOM 1066 C PRO A 72 -16.656 1.057 -0.148 1.00 0.00 C ATOM 1067 O PRO A 72 -17.584 1.869 -0.101 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.063 1.634 1.691 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.662 3.066 1.914 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.688 3.787 0.590 1.00 0.00 C ATOM 0 HA PRO A 72 -14.611 0.638 -0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.993 1.408 2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.305 0.956 2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.343 3.544 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.665 3.115 2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.514 4.497 0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.771 4.354 0.430 1.00 0.00 H new ATOM 1078 N THR A 73 -16.795 -0.204 -0.477 1.00 0.00 N ATOM 1079 CA THR A 73 -18.060 -0.792 -0.853 1.00 0.00 C ATOM 1080 C THR A 73 -18.211 -2.120 -0.126 1.00 0.00 C ATOM 1081 O THR A 73 -17.221 -2.698 0.328 1.00 0.00 O ATOM 1082 CB THR A 73 -18.112 -1.026 -2.384 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.001 -1.834 -2.794 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.083 0.293 -3.142 1.00 0.00 C ATOM 0 H THR A 73 -16.018 -0.864 -0.492 1.00 0.00 H new ATOM 0 HA THR A 73 -18.872 -0.118 -0.580 1.00 0.00 H new ATOM 0 HB THR A 73 -19.046 -1.539 -2.614 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.042 -1.979 -3.762 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.121 0.098 -4.214 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.943 0.898 -2.853 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.165 0.830 -2.903 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.445 -2.586 0.003 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.730 -3.878 0.617 1.00 0.00 C ATOM 1094 C GLU A 74 -19.094 -5.049 -0.171 1.00 0.00 C ATOM 1095 O GLU A 74 -19.150 -6.201 0.257 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.264 -4.032 0.754 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.725 -5.436 1.087 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.333 -5.868 2.485 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -21.650 -5.142 3.446 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -20.717 -6.942 2.630 1.00 0.00 O ATOM 0 H GLU A 74 -20.274 -2.083 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.277 -3.913 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.617 -3.353 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.733 -3.721 -0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.809 -5.491 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.301 -6.133 0.364 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.471 -4.763 -1.306 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.879 -5.824 -2.123 1.00 0.00 C ATOM 1109 C LYS A 75 -16.337 -5.800 -2.194 1.00 0.00 C ATOM 1110 O LYS A 75 -15.724 -6.862 -2.309 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.448 -5.781 -3.552 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.951 -6.065 -3.685 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.266 -7.561 -3.728 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.563 -8.137 -2.352 1.00 0.00 C ATOM 1115 NZ LYS A 75 -21.853 -7.634 -1.808 1.00 0.00 N ATOM 0 H LYS A 75 -18.361 -3.821 -1.682 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.150 -6.752 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.245 -4.796 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.906 -6.505 -4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.478 -5.611 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.327 -5.592 -4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.123 -7.729 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.422 -8.094 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.594 -9.225 -2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.755 -7.879 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -22.061 -8.113 -0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.786 -6.609 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.616 -7.828 -2.488 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.696 -4.635 -2.141 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.278 -4.560 -2.500 1.00 0.00 C ATOM 1131 C ASP A 76 -13.350 -4.494 -1.273 1.00 0.00 C ATOM 1132 O ASP A 76 -13.574 -3.725 -0.335 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.028 -3.365 -3.429 1.00 0.00 C ATOM 1134 CG ASP A 76 -12.627 -3.339 -3.991 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -12.002 -2.255 -3.983 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -12.163 -4.396 -4.477 1.00 0.00 O ATOM 0 H ASP A 76 -16.120 -3.750 -1.861 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.035 -5.485 -3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.743 -3.395 -4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.211 -2.441 -2.881 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.308 -5.319 -1.325 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.284 -5.441 -0.285 1.00 0.00 C ATOM 1143 C GLU A 77 -10.014 -4.724 -0.757 1.00 0.00 C ATOM 1144 O GLU A 77 -9.654 -4.825 -1.930 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.034 -6.948 -0.062 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.924 -7.319 0.911 1.00 0.00 C ATOM 1147 CD GLU A 77 -8.575 -7.424 0.239 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.364 -8.399 -0.515 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -7.722 -6.561 0.471 1.00 0.00 O ATOM 0 H GLU A 77 -12.146 -5.942 -2.116 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.597 -4.984 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.961 -7.398 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.807 -7.402 -1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.875 -6.571 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.165 -8.270 1.386 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.341 -4.009 0.140 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.160 -3.230 -0.242 1.00 0.00 C ATOM 1158 C TYR A 78 -6.903 -3.786 0.422 1.00 0.00 C ATOM 1159 O TYR A 78 -6.848 -3.935 1.647 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.336 -1.756 0.129 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.376 -1.033 -0.696 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -8.995 -0.173 -1.716 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.732 -1.201 -0.451 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.935 0.504 -2.466 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.681 -0.530 -1.201 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.276 0.321 -2.205 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.213 0.999 -2.952 1.00 0.00 O ATOM 0 H TYR A 78 -9.587 -3.951 1.128 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.048 -3.308 -1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.611 -1.687 1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.379 -1.247 0.015 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.945 -0.031 -1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -11.051 -1.866 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.622 1.174 -3.253 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.733 -0.673 -1.000 1.00 0.00 H new ATOM 0 HH TYR A 78 -13.092 0.917 -2.527 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.894 -4.071 -0.394 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.682 -4.721 0.074 1.00 0.00 C ATOM 1179 C ALA A 79 -3.444 -3.995 -0.440 1.00 0.00 C ATOM 1180 O ALA A 79 -3.509 -3.298 -1.445 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.676 -6.167 -0.388 1.00 0.00 C ATOM 0 H ALA A 79 -5.896 -3.858 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.661 -4.688 1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.767 -6.657 -0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.546 -6.683 0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.710 -6.201 -1.477 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.319 -4.149 0.245 1.00 0.00 N ATOM 1188 CA CYS A 80 -1.088 -3.496 -0.182 1.00 0.00 C ATOM 1189 C CYS A 80 0.045 -4.531 -0.296 1.00 0.00 C ATOM 1190 O CYS A 80 0.360 -5.228 0.667 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.776 -2.361 0.804 1.00 0.00 C ATOM 1192 SG CYS A 80 -2.111 -1.110 0.901 1.00 0.00 S ATOM 0 H CYS A 80 -2.232 -4.714 1.090 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.197 -3.057 -1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.609 -2.784 1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.151 -1.872 0.505 1.00 0.00 H new ATOM 1197 N ARG A 81 0.619 -4.659 -1.497 1.00 0.00 N ATOM 1198 CA ARG A 81 1.592 -5.717 -1.787 1.00 0.00 C ATOM 1199 C ARG A 81 3.018 -5.177 -1.787 1.00 0.00 C ATOM 1200 O ARG A 81 3.274 -4.118 -2.351 1.00 0.00 O ATOM 1201 CB ARG A 81 1.298 -6.343 -3.154 1.00 0.00 C ATOM 1202 CG ARG A 81 1.808 -7.776 -3.291 1.00 0.00 C ATOM 1203 CD ARG A 81 0.947 -8.622 -4.240 1.00 0.00 C ATOM 1204 NE ARG A 81 1.280 -10.046 -4.167 1.00 0.00 N ATOM 1205 CZ ARG A 81 1.255 -10.868 -5.217 1.00 0.00 C ATOM 1206 NH1 ARG A 81 1.036 -10.390 -6.436 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.480 -12.163 -5.049 1.00 0.00 N ATOM 0 H ARG A 81 0.426 -4.041 -2.285 1.00 0.00 H new ATOM 0 HA ARG A 81 1.502 -6.469 -1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.222 -6.331 -3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.752 -5.728 -3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.835 -7.759 -3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.827 -8.246 -2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.106 -8.484 -3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.084 -8.271 -5.263 1.00 0.00 H new ATOM 0 HE ARG A 81 1.546 -10.431 -3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.886 -9.390 -6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.018 -11.022 -7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.672 -12.531 -4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.461 -12.792 -5.852 1.00 0.00 H new ATOM 1221 N VAL A 82 3.944 -5.899 -1.155 1.00 0.00 N ATOM 1222 CA VAL A 82 5.349 -5.503 -1.190 1.00 0.00 C ATOM 1223 C VAL A 82 6.270 -6.689 -1.476 1.00 0.00 C ATOM 1224 O VAL A 82 6.024 -7.814 -1.031 1.00 0.00 O ATOM 1225 CB VAL A 82 5.786 -4.798 0.119 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.141 -5.807 1.200 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.942 -3.855 -0.153 1.00 0.00 C ATOM 0 H VAL A 82 3.750 -6.747 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 82 5.442 -4.791 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 82 4.944 -4.212 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.443 -5.280 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.273 -6.430 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.962 -6.436 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.239 -3.366 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.785 -4.419 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.634 -3.101 -0.877 1.00 0.00 H new ATOM 1237 N ASN A 83 7.313 -6.414 -2.251 1.00 0.00 N ATOM 1238 CA ASN A 83 8.315 -7.415 -2.597 1.00 0.00 C ATOM 1239 C ASN A 83 9.722 -6.858 -2.450 1.00 0.00 C ATOM 1240 O ASN A 83 9.971 -5.681 -2.726 1.00 0.00 O ATOM 1241 CB ASN A 83 8.115 -7.916 -4.032 1.00 0.00 C ATOM 1242 CG ASN A 83 8.850 -9.218 -4.289 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.014 -10.034 -3.383 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.298 -9.425 -5.518 1.00 0.00 N ATOM 0 H ASN A 83 7.487 -5.494 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 83 8.191 -8.249 -1.906 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.051 -8.057 -4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.465 -7.158 -4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.799 -10.285 -5.740 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.142 -8.724 -6.242 1.00 0.00 H new ATOM 1251 N HIS A 84 10.627 -7.714 -1.998 1.00 0.00 N ATOM 1252 CA HIS A 84 12.039 -7.387 -1.918 1.00 0.00 C ATOM 1253 C HIS A 84 12.836 -8.543 -2.508 1.00 0.00 C ATOM 1254 O HIS A 84 12.304 -9.645 -2.615 1.00 0.00 O ATOM 1255 CB HIS A 84 12.457 -7.139 -0.458 1.00 0.00 C ATOM 1256 CG HIS A 84 13.851 -6.593 -0.298 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.942 -7.428 -0.214 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.274 -5.306 -0.213 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.995 -6.638 -0.084 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.639 -5.346 -0.078 1.00 0.00 N ATOM 0 H HIS A 84 10.400 -8.655 -1.677 1.00 0.00 H new ATOM 0 HA HIS A 84 12.236 -6.474 -2.480 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.752 -6.443 -0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.380 -8.076 0.094 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.656 -4.421 -0.245 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.012 -6.989 0.006 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.264 -4.545 0.010 1.00 0.00 H new ATOM 1268 N VAL A 85 14.082 -8.301 -2.895 1.00 0.00 N ATOM 1269 CA VAL A 85 14.924 -9.353 -3.480 1.00 0.00 C ATOM 1270 C VAL A 85 14.946 -10.616 -2.610 1.00 0.00 C ATOM 1271 O VAL A 85 14.997 -11.736 -3.130 1.00 0.00 O ATOM 1272 CB VAL A 85 16.377 -8.875 -3.710 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.221 -9.982 -4.336 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.406 -7.630 -4.583 1.00 0.00 C ATOM 0 H VAL A 85 14.536 -7.391 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 85 14.475 -9.591 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 85 16.804 -8.624 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.238 -9.622 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.237 -10.846 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.791 -10.269 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.438 -7.313 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.953 -7.852 -5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.847 -6.831 -4.096 1.00 0.00 H new ATOM 1284 N THR A 86 14.887 -10.440 -1.295 1.00 0.00 N ATOM 1285 CA THR A 86 14.945 -11.588 -0.384 1.00 0.00 C ATOM 1286 C THR A 86 13.724 -12.494 -0.574 1.00 0.00 C ATOM 1287 O THR A 86 13.866 -13.711 -0.711 1.00 0.00 O ATOM 1288 CB THR A 86 15.081 -11.170 1.106 1.00 0.00 C ATOM 1289 OG1 THR A 86 14.946 -12.316 1.958 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.050 -10.115 1.492 1.00 0.00 C ATOM 0 H THR A 86 14.801 -9.533 -0.837 1.00 0.00 H new ATOM 0 HA THR A 86 15.847 -12.143 -0.642 1.00 0.00 H new ATOM 0 HB THR A 86 16.072 -10.735 1.235 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.035 -12.040 2.894 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.177 -9.849 2.541 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.188 -9.228 0.873 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.047 -10.513 1.338 1.00 0.00 H new ATOM 1298 N LEU A 87 12.528 -11.906 -0.578 1.00 0.00 N ATOM 1299 CA LEU A 87 11.317 -12.673 -0.848 1.00 0.00 C ATOM 1300 C LEU A 87 11.326 -13.197 -2.281 1.00 0.00 C ATOM 1301 O LEU A 87 11.885 -12.577 -3.183 1.00 0.00 O ATOM 1302 CB LEU A 87 10.060 -11.822 -0.663 1.00 0.00 C ATOM 1303 CG LEU A 87 10.019 -10.934 0.576 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.796 -10.050 0.524 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.013 -11.770 1.845 1.00 0.00 C ATOM 0 H LEU A 87 12.374 -10.914 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 87 11.301 -13.501 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.944 -11.188 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.198 -12.488 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 87 10.914 -10.312 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.768 -9.416 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.836 -9.425 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.900 -10.670 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.984 -11.112 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.136 -12.417 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.915 -12.381 1.883 1.00 0.00 H new ATOM 1317 N SER A 88 10.715 -14.348 -2.483 1.00 0.00 N ATOM 1318 CA SER A 88 10.494 -14.865 -3.820 1.00 0.00 C ATOM 1319 C SER A 88 9.041 -14.623 -4.220 1.00 0.00 C ATOM 1320 O SER A 88 8.633 -14.883 -5.352 1.00 0.00 O ATOM 1321 CB SER A 88 10.820 -16.353 -3.857 1.00 0.00 C ATOM 1322 OG SER A 88 12.142 -16.593 -3.401 1.00 0.00 O ATOM 0 H SER A 88 10.361 -14.945 -1.735 1.00 0.00 H new ATOM 0 HA SER A 88 11.146 -14.351 -4.527 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.112 -16.900 -3.235 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.708 -16.729 -4.874 1.00 0.00 H new ATOM 0 HG SER A 88 12.329 -17.554 -3.432 1.00 0.00 H new ATOM 1328 N GLN A 89 8.268 -14.119 -3.265 1.00 0.00 N ATOM 1329 CA GLN A 89 6.864 -13.819 -3.493 1.00 0.00 C ATOM 1330 C GLN A 89 6.432 -12.617 -2.644 1.00 0.00 C ATOM 1331 O GLN A 89 6.615 -12.627 -1.424 1.00 0.00 O ATOM 1332 CB GLN A 89 5.989 -15.049 -3.167 1.00 0.00 C ATOM 1333 CG GLN A 89 6.099 -15.554 -1.728 1.00 0.00 C ATOM 1334 CD GLN A 89 5.175 -16.726 -1.465 1.00 0.00 C ATOM 1335 OE1 GLN A 89 5.553 -17.883 -1.641 1.00 0.00 O ATOM 1336 NE2 GLN A 89 3.952 -16.435 -1.046 1.00 0.00 N ATOM 0 H GLN A 89 8.594 -13.910 -2.322 1.00 0.00 H new ATOM 0 HA GLN A 89 6.730 -13.569 -4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.948 -14.800 -3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.261 -15.860 -3.843 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.128 -15.851 -1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.861 -14.743 -1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.677 -15.462 -0.912 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.286 -17.184 -0.857 1.00 0.00 H new ATOM 1345 N PRO A 90 5.887 -11.542 -3.262 1.00 0.00 N ATOM 1346 CA PRO A 90 5.377 -10.401 -2.495 1.00 0.00 C ATOM 1347 C PRO A 90 4.205 -10.783 -1.613 1.00 0.00 C ATOM 1348 O PRO A 90 3.464 -11.718 -1.915 1.00 0.00 O ATOM 1349 CB PRO A 90 4.919 -9.385 -3.536 1.00 0.00 C ATOM 1350 CG PRO A 90 4.819 -10.138 -4.827 1.00 0.00 C ATOM 1351 CD PRO A 90 5.764 -11.331 -4.723 1.00 0.00 C ATOM 0 HA PRO A 90 6.150 -10.014 -1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.958 -8.951 -3.262 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.629 -8.562 -3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.796 -10.471 -5.001 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.094 -9.501 -5.667 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.358 -12.210 -5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.730 -11.120 -5.182 1.00 0.00 H new ATOM 1359 N LYS A 91 4.031 -10.041 -0.538 1.00 0.00 N ATOM 1360 CA LYS A 91 2.995 -10.353 0.438 1.00 0.00 C ATOM 1361 C LYS A 91 1.854 -9.349 0.347 1.00 0.00 C ATOM 1362 O LYS A 91 2.058 -8.197 -0.035 1.00 0.00 O ATOM 1363 CB LYS A 91 3.556 -10.365 1.871 1.00 0.00 C ATOM 1364 CG LYS A 91 4.762 -11.282 2.079 1.00 0.00 C ATOM 1365 CD LYS A 91 4.570 -12.641 1.422 1.00 0.00 C ATOM 1366 CE LYS A 91 5.357 -13.737 2.129 1.00 0.00 C ATOM 1367 NZ LYS A 91 6.820 -13.477 2.138 1.00 0.00 N ATOM 0 H LYS A 91 4.590 -9.218 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 91 2.620 -11.350 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.839 -9.348 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.763 -10.670 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.653 -10.806 1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.934 -11.417 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.511 -12.897 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.883 -12.586 0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.002 -13.829 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.165 -14.691 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.325 -14.323 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.034 -12.676 1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.126 -13.249 3.105 1.00 0.00 H new ATOM 1381 N ILE A 92 0.659 -9.799 0.693 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.504 -8.929 0.706 1.00 0.00 C ATOM 1383 C ILE A 92 -0.971 -8.649 2.125 1.00 0.00 C ATOM 1384 O ILE A 92 -1.096 -9.554 2.953 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.677 -9.477 -0.163 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.682 -8.802 -1.537 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.027 -9.286 0.510 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.469 -7.310 -1.473 1.00 0.00 C ATOM 0 H ILE A 92 0.470 -10.763 0.969 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.186 -7.989 0.255 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.515 -10.548 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.902 -9.247 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.633 -9.005 -2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.813 -9.683 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.036 -9.814 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.201 -8.224 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.484 -6.897 -2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.263 -6.854 -0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.505 -7.100 -1.009 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.199 -7.375 2.398 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.799 -6.944 3.640 1.00 0.00 C ATOM 1402 C VAL A 93 -3.129 -6.300 3.326 1.00 0.00 C ATOM 1403 O VAL A 93 -3.199 -5.362 2.539 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.906 -5.942 4.400 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.538 -4.747 3.539 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.572 -5.479 5.683 1.00 0.00 C ATOM 0 H VAL A 93 -0.971 -6.612 1.760 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.926 -7.815 4.283 1.00 0.00 H new ATOM 0 HB VAL A 93 0.014 -6.467 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.091 -4.066 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.005 -5.087 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.445 -4.229 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.920 -4.774 6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.518 -4.992 5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.757 -6.338 6.327 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.185 -6.814 3.903 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.503 -6.313 3.598 1.00 0.00 C ATOM 1418 C LYS A 94 -6.031 -5.517 4.778 1.00 0.00 C ATOM 1419 O LYS A 94 -5.760 -5.847 5.935 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.436 -7.462 3.262 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.860 -8.417 2.238 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.459 -9.795 2.384 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.910 -10.473 3.624 1.00 0.00 C ATOM 1424 NZ LYS A 94 -4.493 -10.881 3.454 1.00 0.00 N ATOM 0 H LYS A 94 -4.160 -7.574 4.582 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.448 -5.657 2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.667 -8.013 4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.377 -7.060 2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.052 -8.038 1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.778 -8.473 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.545 -9.723 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.232 -10.394 1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.993 -9.796 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.514 -11.350 3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.243 -11.579 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.364 -11.303 2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.878 -10.047 3.547 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.776 -4.475 4.476 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.246 -3.547 5.494 1.00 0.00 C ATOM 1440 C TRP A 95 -8.519 -4.082 6.170 1.00 0.00 C ATOM 1441 O TRP A 95 -9.479 -4.472 5.499 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.460 -2.158 4.861 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.994 -1.110 5.800 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.495 -0.745 7.027 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.128 -0.269 5.566 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.272 0.234 7.576 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.278 0.549 6.704 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.042 -0.129 4.505 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.297 1.478 6.822 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.052 0.803 4.620 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.180 1.594 5.769 1.00 0.00 C ATOM 0 H TRP A 95 -7.073 -4.245 3.528 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.494 -3.448 6.277 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.511 -1.810 4.453 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.149 -2.259 4.023 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.617 -1.170 7.489 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.126 0.662 8.490 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.954 -0.739 3.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.397 2.090 7.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.756 0.925 3.810 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.987 2.309 5.832 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.503 -4.106 7.508 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.590 -4.681 8.312 1.00 0.00 C ATOM 1464 C ASP A 96 -10.892 -3.906 8.145 1.00 0.00 C ATOM 1465 O ASP A 96 -11.085 -2.868 8.776 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.220 -4.699 9.798 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.111 -5.678 10.125 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -6.949 -5.239 10.293 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -8.395 -6.891 10.225 1.00 0.00 O ATOM 0 H ASP A 96 -7.737 -3.728 8.065 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.736 -5.700 7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.913 -3.698 10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.104 -4.953 10.383 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.782 -4.421 7.302 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.111 -3.833 7.122 1.00 0.00 C ATOM 1476 C ARG A 97 -13.944 -4.684 6.174 1.00 0.00 C ATOM 1477 O ARG A 97 -15.155 -4.520 6.077 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.976 -2.390 6.602 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.554 -2.256 5.135 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.756 -2.173 4.167 1.00 0.00 C ATOM 1481 NE ARG A 97 -15.028 -1.917 4.842 1.00 0.00 N ATOM 1482 CZ ARG A 97 -16.205 -2.326 4.365 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.271 -2.952 3.195 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -17.315 -2.101 5.056 1.00 0.00 N ATOM 0 H ARG A 97 -11.609 -5.247 6.730 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.625 -3.806 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.932 -1.883 6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.248 -1.865 7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.939 -1.364 5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.933 -3.109 4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.573 -1.382 3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -13.830 -3.107 3.610 1.00 0.00 H new ATOM 0 HE ARG A 97 -15.015 -1.400 5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.420 -3.121 2.658 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.172 -3.263 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.268 -1.615 5.952 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -18.215 -2.414 4.691 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.293 -5.643 5.545 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.912 -6.423 4.472 1.00 0.00 C ATOM 1500 C ASP A 98 -13.098 -7.690 4.171 1.00 0.00 C ATOM 1501 O ASP A 98 -13.465 -8.485 3.310 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.016 -5.564 3.215 1.00 0.00 C ATOM 1503 CG ASP A 98 -14.863 -6.208 2.131 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -14.298 -6.757 1.168 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -16.106 -6.180 2.253 1.00 0.00 O ATOM 0 H ASP A 98 -12.330 -5.907 5.754 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.908 -6.728 4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.443 -4.596 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.016 -5.376 2.825 1.00 0.00 H new ATOM 1510 N MET A 99 -12.002 -7.880 4.906 1.00 0.00 N ATOM 1511 CA MET A 99 -11.112 -9.034 4.706 1.00 0.00 C ATOM 1512 C MET A 99 -11.745 -10.332 5.218 1.00 0.00 C ATOM 1513 CB MET A 99 -9.747 -8.817 5.403 1.00 0.00 C ATOM 1514 CG MET A 99 -9.761 -7.805 6.571 1.00 0.00 C ATOM 1515 SD MET A 99 -11.143 -8.010 7.714 1.00 0.00 S ATOM 1516 CE MET A 99 -10.586 -9.431 8.652 1.00 0.00 C ATOM 0 H MET A 99 -11.705 -7.249 5.650 1.00 0.00 H new ATOM 0 HA MET A 99 -10.953 -9.125 3.631 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.392 -9.777 5.778 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.026 -8.479 4.659 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.828 -7.897 7.127 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.790 -6.795 6.161 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.333 -9.686 9.404 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.444 -10.277 7.980 1.00 0.00 H new ATOM 0 HE3 MET A 99 -9.642 -9.195 9.144 1.00 0.00 H new TER 1525 MET A 99