USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 969 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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 125 HIS : no HD1:sc= 0 X(o=0,f=0.0024) USER MOD Set 2.1: A 39 HIS : no HE2:sc= -0.134 K(o=0.096,f=-1.7) USER MOD Set 2.2: A 105 SER OG : rot 50:sc= 0.229 USER MOD Set 2.3: A 109 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 21 THR OG1 : rot 170:sc= 0.902 USER MOD Set 3.2: A 29 CYS SG : rot -160:sc= -0.02 USER MOD Set 3.3: A 104 LYS NZ :NH3+ -150:sc= 0.86 (180deg=-0.443) USER MOD Set 4.1: A 31 THR OG1 : rot -143:sc= 0.997 USER MOD Set 4.2: A 40 THR OG1 : rot 50:sc= 1.11 USER MOD Set 5.1: A 20 MET CE :methyl -108:sc= -0.38 (180deg=-0.474) USER MOD Set 5.2: A 116 GLN : amide:sc= -0.941 K(o=-1.3,f=-2.1) USER MOD Set 6.1: A 3 GLN : amide:sc= 0.0567 K(o=0.039,f=-2.1) USER MOD Set 6.2: A 6 ASN :FLIP amide:sc= -0.0179 F(o=-1.1,f=0.039) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= 0.986 (180deg=0.0803!) USER MOD Single : A 5 GLN : amide:sc=-0.00772 X(o=-0.0077,f=-0.13) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 15 CYS SG : rot 180:sc= -2.42! USER MOD Single : A 16 CYS SG : rot -3:sc= -2.76! USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.13! C(o=-3.1!,f=-4!) USER MOD Single : A 30 GLN : amide:sc= -0.9 X(o=-0.9,f=-0.89) USER MOD Single : A 34 GLN : amide:sc= -0.0815 K(o=-0.082,f=-2.2) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 97:sc= 0.114 USER MOD Single : A 45 MET CE :methyl 151:sc= -0.764 (180deg=-1.44) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.994 USER MOD Single : A 53 SER OG : rot 64:sc= 1.06 USER MOD Single : A 58 ASN : amide:sc= 0.24 X(o=0.24,f=0) USER MOD Single : A 61 MET CE :methyl -140:sc= 0 (180deg=-0.838) USER MOD Single : A 62 THR OG1 : rot -40:sc= 0.119 USER MOD Single : A 68 ASN : amide:sc= 0.32 K(o=0.32,f=-11!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -39:sc= -0.167 USER MOD Single : A 81 CYS SG : rot 180:sc= -1.83! USER MOD Single : A 83 SER OG : rot 180:sc= -0.0621 USER MOD Single : A 86 GLN : amide:sc= -0.492 K(o=-0.49,f=-11!) USER MOD Single : A 93 MET CE :methyl -164:sc= -0.0921 (180deg=-0.421) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 130:sc= -0.438 USER MOD Single : A 102 THR OG1 : rot 122:sc= 0.29 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.79) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HE2:sc= -0.473 K(o=-0.47,f=-1.2) USER MOD Single : A 128 HIS : no HD1:sc= -0.0575 X(o=-0.058,f=-0.058) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0203 X(o=-0.02,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.211 -19.279 -27.323 1.00 0.00 N ATOM 2 CA MET A 1 12.983 -19.147 -26.055 1.00 0.00 C ATOM 3 C MET A 1 14.427 -19.688 -26.226 1.00 0.00 C ATOM 4 O MET A 1 14.626 -20.809 -26.710 1.00 0.00 O ATOM 5 CB MET A 1 12.239 -19.854 -24.877 1.00 0.00 C ATOM 6 CG MET A 1 11.980 -21.366 -25.063 1.00 0.00 C ATOM 7 SD MET A 1 10.926 -21.728 -26.487 1.00 0.00 S ATOM 8 CE MET A 1 10.920 -23.524 -26.506 1.00 0.00 C ATOM 0 H1 MET A 1 11.418 -18.606 -27.319 1.00 0.00 H new ATOM 0 H2 MET A 1 12.833 -19.076 -28.131 1.00 0.00 H new ATOM 0 H3 MET A 1 11.842 -20.248 -27.405 1.00 0.00 H new ATOM 0 HA MET A 1 13.059 -18.088 -25.809 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.821 -19.713 -23.966 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.282 -19.356 -24.724 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.933 -21.881 -25.182 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.514 -21.763 -24.162 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.307 -23.877 -27.335 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.940 -23.890 -26.627 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.510 -23.896 -25.567 1.00 0.00 H new ATOM 20 N GLY A 2 15.428 -18.872 -25.840 1.00 0.00 N ATOM 21 CA GLY A 2 16.844 -19.249 -25.974 1.00 0.00 C ATOM 22 C GLY A 2 17.802 -18.102 -25.639 1.00 0.00 C ATOM 23 O GLY A 2 17.441 -16.926 -25.778 1.00 0.00 O ATOM 0 H GLY A 2 15.279 -17.948 -25.433 1.00 0.00 H new ATOM 0 HA2 GLY A 2 17.053 -20.094 -25.317 1.00 0.00 H new ATOM 0 HA3 GLY A 2 17.030 -19.585 -26.994 1.00 0.00 H new ATOM 27 N GLN A 3 19.038 -18.453 -25.218 1.00 0.00 N ATOM 28 CA GLN A 3 20.067 -17.472 -24.788 1.00 0.00 C ATOM 29 C GLN A 3 21.441 -18.174 -24.589 1.00 0.00 C ATOM 30 O GLN A 3 21.501 -19.360 -24.241 1.00 0.00 O ATOM 31 CB GLN A 3 19.599 -16.752 -23.480 1.00 0.00 C ATOM 32 CG GLN A 3 20.526 -15.639 -22.945 1.00 0.00 C ATOM 33 CD GLN A 3 19.907 -14.842 -21.788 1.00 0.00 C ATOM 34 OE1 GLN A 3 20.036 -15.209 -20.625 1.00 0.00 O ATOM 35 NE2 GLN A 3 19.227 -13.752 -22.098 1.00 0.00 N ATOM 0 H GLN A 3 19.352 -19.422 -25.166 1.00 0.00 H new ATOM 0 HA GLN A 3 20.193 -16.720 -25.567 1.00 0.00 H new ATOM 0 HB2 GLN A 3 18.614 -16.321 -23.660 1.00 0.00 H new ATOM 0 HB3 GLN A 3 19.480 -17.503 -22.699 1.00 0.00 H new ATOM 0 HG2 GLN A 3 21.463 -16.085 -22.611 1.00 0.00 H new ATOM 0 HG3 GLN A 3 20.770 -14.956 -23.759 1.00 0.00 H new ATOM 0 HE21 GLN A 3 19.135 -13.469 -23.073 1.00 0.00 H new ATOM 0 HE22 GLN A 3 18.794 -13.194 -21.362 1.00 0.00 H new ATOM 44 N GLY A 4 22.537 -17.425 -24.825 1.00 0.00 N ATOM 45 CA GLY A 4 23.913 -17.940 -24.676 1.00 0.00 C ATOM 46 C GLY A 4 24.525 -17.678 -23.291 1.00 0.00 C ATOM 47 O GLY A 4 23.848 -17.813 -22.261 1.00 0.00 O ATOM 0 H GLY A 4 22.494 -16.450 -25.123 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.912 -19.013 -24.866 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.547 -17.483 -25.436 1.00 0.00 H new ATOM 51 N GLN A 5 25.824 -17.315 -23.268 1.00 0.00 N ATOM 52 CA GLN A 5 26.567 -17.021 -22.026 1.00 0.00 C ATOM 53 C GLN A 5 26.414 -15.522 -21.647 1.00 0.00 C ATOM 54 O GLN A 5 26.478 -14.638 -22.507 1.00 0.00 O ATOM 55 CB GLN A 5 28.067 -17.399 -22.210 1.00 0.00 C ATOM 56 CG GLN A 5 29.005 -17.009 -21.038 1.00 0.00 C ATOM 57 CD GLN A 5 28.676 -17.667 -19.685 1.00 0.00 C ATOM 58 OE1 GLN A 5 28.177 -18.786 -19.616 1.00 0.00 O ATOM 59 NE2 GLN A 5 28.954 -16.971 -18.594 1.00 0.00 N ATOM 0 H GLN A 5 26.388 -17.217 -24.112 1.00 0.00 H new ATOM 0 HA GLN A 5 26.155 -17.617 -21.211 1.00 0.00 H new ATOM 0 HB2 GLN A 5 28.136 -18.476 -22.364 1.00 0.00 H new ATOM 0 HB3 GLN A 5 28.434 -16.923 -23.119 1.00 0.00 H new ATOM 0 HG2 GLN A 5 30.028 -17.269 -21.311 1.00 0.00 H new ATOM 0 HG3 GLN A 5 28.974 -15.927 -20.914 1.00 0.00 H new ATOM 0 HE21 GLN A 5 29.369 -16.042 -18.673 1.00 0.00 H new ATOM 0 HE22 GLN A 5 28.754 -17.363 -17.674 1.00 0.00 H new ATOM 68 N ASN A 6 26.197 -15.264 -20.341 1.00 0.00 N ATOM 69 CA ASN A 6 25.917 -13.912 -19.806 1.00 0.00 C ATOM 70 C ASN A 6 26.911 -13.524 -18.689 1.00 0.00 C ATOM 71 O ASN A 6 27.774 -14.314 -18.293 1.00 0.00 O ATOM 72 CB ASN A 6 24.466 -13.862 -19.244 1.00 0.00 C ATOM 73 CG ASN A 6 23.404 -14.172 -20.296 1.00 0.00 C ATOM 74 OD1 ASN A 6 23.041 -15.435 -20.429 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 22.916 -13.288 -20.986 1.00 0.00 N flip ATOM 0 H ASN A 6 26.211 -15.989 -19.624 1.00 0.00 H new ATOM 0 HA ASN A 6 26.029 -13.200 -20.623 1.00 0.00 H new ATOM 0 HB2 ASN A 6 24.376 -14.575 -18.424 1.00 0.00 H new ATOM 0 HB3 ASN A 6 24.278 -12.872 -18.828 1.00 0.00 H new ATOM 0 HD21 ASN A 6 23.215 -12.321 -20.862 1.00 0.00 H new ATOM 0 HD22 ASN A 6 22.210 -13.518 -21.685 1.00 0.00 H new ATOM 82 N VAL A 7 26.760 -12.287 -18.190 1.00 0.00 N ATOM 83 CA VAL A 7 27.456 -11.806 -16.966 1.00 0.00 C ATOM 84 C VAL A 7 26.677 -12.255 -15.703 1.00 0.00 C ATOM 85 O VAL A 7 27.201 -12.262 -14.594 1.00 0.00 O ATOM 86 CB VAL A 7 27.592 -10.224 -16.971 1.00 0.00 C ATOM 87 CG1 VAL A 7 27.948 -9.716 -18.381 1.00 0.00 C ATOM 88 CG2 VAL A 7 26.317 -9.495 -16.444 1.00 0.00 C ATOM 0 H VAL A 7 26.154 -11.586 -18.617 1.00 0.00 H new ATOM 0 HA VAL A 7 28.456 -12.239 -16.953 1.00 0.00 H new ATOM 0 HB VAL A 7 28.400 -9.984 -16.280 1.00 0.00 H new ATOM 0 HG11 VAL A 7 28.037 -8.630 -18.365 1.00 0.00 H new ATOM 0 HG12 VAL A 7 28.895 -10.153 -18.697 1.00 0.00 H new ATOM 0 HG13 VAL A 7 27.164 -10.005 -19.081 1.00 0.00 H new ATOM 0 HG21 VAL A 7 26.476 -8.417 -16.474 1.00 0.00 H new ATOM 0 HG22 VAL A 7 25.464 -9.754 -17.072 1.00 0.00 H new ATOM 0 HG23 VAL A 7 26.119 -9.805 -15.418 1.00 0.00 H new ATOM 98 N LEU A 8 25.415 -12.645 -15.941 1.00 0.00 N ATOM 99 CA LEU A 8 24.374 -12.868 -14.927 1.00 0.00 C ATOM 100 C LEU A 8 24.588 -14.148 -14.080 1.00 0.00 C ATOM 101 O LEU A 8 23.915 -14.333 -13.058 1.00 0.00 O ATOM 102 CB LEU A 8 23.028 -12.937 -15.660 1.00 0.00 C ATOM 103 CG LEU A 8 22.681 -11.698 -16.543 1.00 0.00 C ATOM 104 CD1 LEU A 8 21.438 -11.976 -17.399 1.00 0.00 C ATOM 105 CD2 LEU A 8 22.508 -10.423 -15.682 1.00 0.00 C ATOM 0 H LEU A 8 25.078 -12.821 -16.887 1.00 0.00 H new ATOM 0 HA LEU A 8 24.410 -12.043 -14.215 1.00 0.00 H new ATOM 0 HB2 LEU A 8 23.023 -13.825 -16.292 1.00 0.00 H new ATOM 0 HB3 LEU A 8 22.238 -13.068 -14.921 1.00 0.00 H new ATOM 0 HG LEU A 8 23.518 -11.517 -17.218 1.00 0.00 H new ATOM 0 HD11 LEU A 8 21.212 -11.100 -18.008 1.00 0.00 H new ATOM 0 HD12 LEU A 8 21.627 -12.830 -18.049 1.00 0.00 H new ATOM 0 HD13 LEU A 8 20.590 -12.195 -16.749 1.00 0.00 H new ATOM 0 HD21 LEU A 8 22.267 -9.578 -16.327 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.701 -10.575 -14.966 1.00 0.00 H new ATOM 0 HD23 LEU A 8 23.435 -10.217 -15.146 1.00 0.00 H new ATOM 117 N GLY A 9 25.505 -15.025 -14.538 1.00 0.00 N ATOM 118 CA GLY A 9 25.880 -16.262 -13.820 1.00 0.00 C ATOM 119 C GLY A 9 26.766 -15.992 -12.591 1.00 0.00 C ATOM 120 O GLY A 9 27.933 -16.403 -12.532 1.00 0.00 O ATOM 0 H GLY A 9 26.007 -14.896 -15.417 1.00 0.00 H new ATOM 0 HA2 GLY A 9 24.976 -16.781 -13.503 1.00 0.00 H new ATOM 0 HA3 GLY A 9 26.407 -16.928 -14.503 1.00 0.00 H new ATOM 124 N GLN A 10 26.170 -15.309 -11.614 1.00 0.00 N ATOM 125 CA GLN A 10 26.831 -14.805 -10.385 1.00 0.00 C ATOM 126 C GLN A 10 25.756 -14.412 -9.350 1.00 0.00 C ATOM 127 O GLN A 10 25.914 -14.657 -8.148 1.00 0.00 O ATOM 128 CB GLN A 10 27.727 -13.565 -10.694 1.00 0.00 C ATOM 129 CG GLN A 10 26.998 -12.390 -11.395 1.00 0.00 C ATOM 130 CD GLN A 10 27.864 -11.154 -11.632 1.00 0.00 C ATOM 131 OE1 GLN A 10 29.071 -11.244 -11.802 1.00 0.00 O ATOM 132 NE2 GLN A 10 27.250 -9.987 -11.665 1.00 0.00 N ATOM 0 H GLN A 10 25.177 -15.077 -11.647 1.00 0.00 H new ATOM 0 HA GLN A 10 27.465 -15.597 -9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 10 28.154 -13.202 -9.759 1.00 0.00 H new ATOM 0 HB3 GLN A 10 28.559 -13.884 -11.322 1.00 0.00 H new ATOM 0 HG2 GLN A 10 26.615 -12.738 -12.354 1.00 0.00 H new ATOM 0 HG3 GLN A 10 26.136 -12.103 -10.792 1.00 0.00 H new ATOM 0 HE21 GLN A 10 26.242 -9.937 -11.520 1.00 0.00 H new ATOM 0 HE22 GLN A 10 27.784 -9.135 -11.835 1.00 0.00 H new ATOM 141 N ASP A 11 24.676 -13.780 -9.877 1.00 0.00 N ATOM 142 CA ASP A 11 23.500 -13.288 -9.125 1.00 0.00 C ATOM 143 C ASP A 11 23.894 -12.132 -8.164 1.00 0.00 C ATOM 144 O ASP A 11 23.682 -10.959 -8.494 1.00 0.00 O ATOM 145 CB ASP A 11 22.768 -14.449 -8.396 1.00 0.00 C ATOM 146 CG ASP A 11 22.415 -15.600 -9.360 1.00 0.00 C ATOM 147 OD1 ASP A 11 21.363 -15.535 -10.035 1.00 0.00 O ATOM 148 OD2 ASP A 11 23.198 -16.571 -9.451 1.00 0.00 O ATOM 0 H ASP A 11 24.601 -13.593 -10.877 1.00 0.00 H new ATOM 0 HA ASP A 11 22.788 -12.874 -9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 11 23.399 -14.829 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.857 -14.070 -7.933 1.00 0.00 H new ATOM 153 N LEU A 12 24.510 -12.499 -7.012 1.00 0.00 N ATOM 154 CA LEU A 12 25.057 -11.576 -5.984 1.00 0.00 C ATOM 155 C LEU A 12 24.017 -10.555 -5.441 1.00 0.00 C ATOM 156 O LEU A 12 23.503 -10.709 -4.328 1.00 0.00 O ATOM 157 CB LEU A 12 26.336 -10.853 -6.509 1.00 0.00 C ATOM 158 CG LEU A 12 27.550 -11.765 -6.892 1.00 0.00 C ATOM 159 CD1 LEU A 12 28.740 -10.923 -7.418 1.00 0.00 C ATOM 160 CD2 LEU A 12 27.978 -12.658 -5.700 1.00 0.00 C ATOM 0 H LEU A 12 24.644 -13.479 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 12 25.329 -12.201 -5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 12 26.060 -10.267 -7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.667 -10.149 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 12 27.228 -12.423 -7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.568 -11.584 -7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 12 28.430 -10.368 -8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 12 29.061 -10.224 -6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 12 28.823 -13.280 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 12 28.268 -12.028 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 12 27.144 -13.295 -5.405 1.00 0.00 H new ATOM 172 N GLU A 13 23.720 -9.516 -6.246 1.00 0.00 N ATOM 173 CA GLU A 13 22.837 -8.390 -5.872 1.00 0.00 C ATOM 174 C GLU A 13 21.337 -8.749 -6.047 1.00 0.00 C ATOM 175 O GLU A 13 20.602 -8.113 -6.812 1.00 0.00 O ATOM 176 CB GLU A 13 23.226 -7.150 -6.725 1.00 0.00 C ATOM 177 CG GLU A 13 24.734 -6.787 -6.697 1.00 0.00 C ATOM 178 CD GLU A 13 25.289 -6.539 -5.280 1.00 0.00 C ATOM 179 OE1 GLU A 13 25.106 -5.419 -4.748 1.00 0.00 O ATOM 180 OE2 GLU A 13 25.912 -7.455 -4.690 1.00 0.00 O ATOM 0 H GLU A 13 24.093 -9.433 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 13 22.975 -8.165 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 13 22.929 -7.330 -7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.654 -6.291 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 13 25.301 -7.593 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 13 24.894 -5.894 -7.301 1.00 0.00 H new ATOM 187 N VAL A 14 20.898 -9.782 -5.323 1.00 0.00 N ATOM 188 CA VAL A 14 19.489 -10.213 -5.282 1.00 0.00 C ATOM 189 C VAL A 14 18.673 -9.294 -4.325 1.00 0.00 C ATOM 190 O VAL A 14 19.229 -8.752 -3.360 1.00 0.00 O ATOM 191 CB VAL A 14 19.399 -11.734 -4.850 1.00 0.00 C ATOM 192 CG1 VAL A 14 20.034 -11.976 -3.452 1.00 0.00 C ATOM 193 CG2 VAL A 14 17.943 -12.270 -4.910 1.00 0.00 C ATOM 0 H VAL A 14 21.513 -10.351 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 14 19.054 -10.123 -6.278 1.00 0.00 H new ATOM 0 HB VAL A 14 19.982 -12.301 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.952 -13.032 -3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.085 -11.689 -3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.511 -11.377 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.928 -13.317 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.313 -11.688 -4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 14 17.565 -12.183 -5.929 1.00 0.00 H new ATOM 203 N CYS A 15 17.368 -9.096 -4.619 1.00 0.00 N ATOM 204 CA CYS A 15 16.455 -8.282 -3.764 1.00 0.00 C ATOM 205 C CYS A 15 16.370 -8.834 -2.317 1.00 0.00 C ATOM 206 O CYS A 15 16.309 -8.063 -1.353 1.00 0.00 O ATOM 207 CB CYS A 15 15.033 -8.224 -4.376 1.00 0.00 C ATOM 208 SG CYS A 15 14.942 -7.463 -6.008 1.00 0.00 S ATOM 0 H CYS A 15 16.916 -9.488 -5.445 1.00 0.00 H new ATOM 0 HA CYS A 15 16.875 -7.277 -3.723 1.00 0.00 H new ATOM 0 HB2 CYS A 15 14.639 -9.238 -4.441 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.383 -7.673 -3.697 1.00 0.00 H new ATOM 0 HG CYS A 15 13.710 -7.471 -6.422 1.00 0.00 H new ATOM 214 N CYS A 16 16.388 -10.178 -2.191 1.00 0.00 N ATOM 215 CA CYS A 16 16.279 -10.878 -0.881 1.00 0.00 C ATOM 216 C CYS A 16 17.033 -12.232 -0.892 1.00 0.00 C ATOM 217 O CYS A 16 17.118 -12.900 -1.917 1.00 0.00 O ATOM 218 CB CYS A 16 14.790 -11.114 -0.511 1.00 0.00 C ATOM 219 SG CYS A 16 13.808 -9.604 -0.357 1.00 0.00 S ATOM 0 H CYS A 16 16.478 -10.811 -2.986 1.00 0.00 H new ATOM 0 HA CYS A 16 16.741 -10.236 -0.131 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.337 -11.751 -1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.745 -11.659 0.432 1.00 0.00 H new ATOM 0 HG CYS A 16 14.576 -8.568 -0.521 1.00 0.00 H new ATOM 225 N CYS A 17 17.555 -12.638 0.283 1.00 0.00 N ATOM 226 CA CYS A 17 18.226 -13.955 0.483 1.00 0.00 C ATOM 227 C CYS A 17 17.219 -15.025 0.999 1.00 0.00 C ATOM 228 O CYS A 17 17.591 -15.952 1.727 1.00 0.00 O ATOM 229 CB CYS A 17 19.409 -13.791 1.477 1.00 0.00 C ATOM 230 SG CYS A 17 20.711 -12.685 0.891 1.00 0.00 S ATOM 0 H CYS A 17 17.527 -12.066 1.127 1.00 0.00 H new ATOM 0 HA CYS A 17 18.610 -14.301 -0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 17 19.025 -13.413 2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.841 -14.771 1.676 1.00 0.00 H new ATOM 0 HG CYS A 17 21.651 -12.609 1.786 1.00 0.00 H new ATOM 236 N ALA A 18 15.949 -14.917 0.563 1.00 0.00 N ATOM 237 CA ALA A 18 14.834 -15.749 1.073 1.00 0.00 C ATOM 238 C ALA A 18 13.955 -16.291 -0.097 1.00 0.00 C ATOM 239 O ALA A 18 13.706 -15.557 -1.054 1.00 0.00 O ATOM 240 CB ALA A 18 14.002 -14.915 2.066 1.00 0.00 C ATOM 0 H ALA A 18 15.664 -14.250 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 18 15.238 -16.619 1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.178 -15.519 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.635 -14.599 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.603 -14.036 1.559 1.00 0.00 H new ATOM 246 N PRO A 19 13.473 -17.589 -0.026 1.00 0.00 N ATOM 247 CA PRO A 19 12.700 -18.280 -1.128 1.00 0.00 C ATOM 248 C PRO A 19 11.357 -17.633 -1.609 1.00 0.00 C ATOM 249 O PRO A 19 10.622 -18.265 -2.379 1.00 0.00 O ATOM 250 CB PRO A 19 12.421 -19.686 -0.525 1.00 0.00 C ATOM 251 CG PRO A 19 13.512 -19.886 0.476 1.00 0.00 C ATOM 252 CD PRO A 19 13.709 -18.530 1.110 1.00 0.00 C ATOM 0 HA PRO A 19 13.294 -18.241 -2.041 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.438 -19.729 -0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.441 -20.459 -1.294 1.00 0.00 H new ATOM 0 HG2 PRO A 19 13.234 -20.633 1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.427 -20.236 -0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.007 -18.361 1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.712 -18.420 1.523 1.00 0.00 H new ATOM 260 N MET A 20 11.010 -16.422 -1.148 1.00 0.00 N ATOM 261 CA MET A 20 9.881 -15.645 -1.740 1.00 0.00 C ATOM 262 C MET A 20 10.367 -14.772 -2.928 1.00 0.00 C ATOM 263 O MET A 20 9.613 -14.518 -3.876 1.00 0.00 O ATOM 264 CB MET A 20 9.177 -14.751 -0.686 1.00 0.00 C ATOM 265 CG MET A 20 8.662 -15.500 0.554 1.00 0.00 C ATOM 266 SD MET A 20 9.979 -15.909 1.721 1.00 0.00 S ATOM 267 CE MET A 20 10.443 -14.284 2.336 1.00 0.00 C ATOM 0 H MET A 20 11.482 -15.953 -0.375 1.00 0.00 H new ATOM 0 HA MET A 20 9.157 -16.373 -2.106 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.874 -13.978 -0.363 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.337 -14.245 -1.162 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.913 -14.888 1.058 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.164 -16.417 0.238 1.00 0.00 H new ATOM 0 HE1 MET A 20 11.416 -14.006 1.931 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.698 -13.551 2.026 1.00 0.00 H new ATOM 0 HE3 MET A 20 10.496 -14.308 3.424 1.00 0.00 H new ATOM 277 N THR A 21 11.620 -14.279 -2.827 1.00 0.00 N ATOM 278 CA THR A 21 12.309 -13.509 -3.892 1.00 0.00 C ATOM 279 C THR A 21 13.825 -13.814 -3.838 1.00 0.00 C ATOM 280 O THR A 21 14.566 -13.189 -3.074 1.00 0.00 O ATOM 281 CB THR A 21 12.068 -11.952 -3.777 1.00 0.00 C ATOM 282 OG1 THR A 21 10.658 -11.638 -3.839 1.00 0.00 O ATOM 283 CG2 THR A 21 12.795 -11.173 -4.898 1.00 0.00 C ATOM 0 H THR A 21 12.192 -14.405 -1.992 1.00 0.00 H new ATOM 0 HA THR A 21 11.889 -13.821 -4.848 1.00 0.00 H new ATOM 0 HB THR A 21 12.473 -11.648 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.522 -10.696 -3.606 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.604 -10.106 -4.783 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.867 -11.358 -4.833 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.427 -11.505 -5.869 1.00 0.00 H new ATOM 291 N GLY A 22 14.262 -14.803 -4.630 1.00 0.00 N ATOM 292 CA GLY A 22 15.657 -15.236 -4.672 1.00 0.00 C ATOM 293 C GLY A 22 15.931 -16.138 -5.875 1.00 0.00 C ATOM 294 O GLY A 22 15.316 -17.204 -5.998 1.00 0.00 O ATOM 0 H GLY A 22 13.652 -15.324 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.308 -14.363 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.901 -15.770 -3.753 1.00 0.00 H new ATOM 298 N TRP A 23 16.834 -15.680 -6.780 1.00 0.00 N ATOM 299 CA TRP A 23 17.275 -16.440 -7.985 1.00 0.00 C ATOM 300 C TRP A 23 16.145 -16.661 -9.030 1.00 0.00 C ATOM 301 O TRP A 23 16.339 -17.429 -9.966 1.00 0.00 O ATOM 302 CB TRP A 23 17.918 -17.810 -7.594 1.00 0.00 C ATOM 303 CG TRP A 23 19.243 -17.705 -6.875 1.00 0.00 C ATOM 304 CD1 TRP A 23 20.464 -17.542 -7.454 1.00 0.00 C ATOM 305 CD2 TRP A 23 19.486 -17.787 -5.458 1.00 0.00 C ATOM 306 NE1 TRP A 23 21.444 -17.503 -6.503 1.00 0.00 N ATOM 307 CE2 TRP A 23 20.874 -17.650 -5.268 1.00 0.00 C ATOM 308 CE3 TRP A 23 18.668 -17.951 -4.336 1.00 0.00 C ATOM 309 CZ2 TRP A 23 21.462 -17.680 -4.008 1.00 0.00 C ATOM 310 CZ3 TRP A 23 19.250 -17.982 -3.083 1.00 0.00 C ATOM 311 CH2 TRP A 23 20.637 -17.843 -2.927 1.00 0.00 C ATOM 0 H TRP A 23 17.281 -14.767 -6.696 1.00 0.00 H new ATOM 0 HA TRP A 23 18.028 -15.812 -8.461 1.00 0.00 H new ATOM 0 HB2 TRP A 23 17.219 -18.356 -6.961 1.00 0.00 H new ATOM 0 HB3 TRP A 23 18.057 -18.402 -8.499 1.00 0.00 H new ATOM 0 HD1 TRP A 23 20.634 -17.456 -8.517 1.00 0.00 H new ATOM 0 HE1 TRP A 23 22.441 -17.383 -6.685 1.00 0.00 H new ATOM 0 HE3 TRP A 23 17.598 -18.052 -4.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 22.530 -17.578 -3.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 18.627 -18.115 -2.211 1.00 0.00 H new ATOM 0 HH2 TRP A 23 21.063 -17.865 -1.935 1.00 0.00 H new ATOM 322 N TYR A 24 15.001 -15.953 -8.890 1.00 0.00 N ATOM 323 CA TYR A 24 13.785 -16.163 -9.734 1.00 0.00 C ATOM 324 C TYR A 24 14.081 -16.125 -11.267 1.00 0.00 C ATOM 325 O TYR A 24 13.521 -16.909 -12.044 1.00 0.00 O ATOM 326 CB TYR A 24 12.715 -15.099 -9.381 1.00 0.00 C ATOM 327 CG TYR A 24 11.353 -15.319 -10.069 1.00 0.00 C ATOM 328 CD1 TYR A 24 10.536 -16.394 -9.706 1.00 0.00 C ATOM 329 CD2 TYR A 24 10.891 -14.472 -11.087 1.00 0.00 C ATOM 330 CE1 TYR A 24 9.322 -16.615 -10.324 1.00 0.00 C ATOM 331 CE2 TYR A 24 9.672 -14.696 -11.709 1.00 0.00 C ATOM 332 CZ TYR A 24 8.892 -15.768 -11.322 1.00 0.00 C ATOM 333 OH TYR A 24 7.678 -15.998 -11.943 1.00 0.00 O ATOM 0 H TYR A 24 14.887 -15.219 -8.191 1.00 0.00 H new ATOM 0 HA TYR A 24 13.417 -17.165 -9.511 1.00 0.00 H new ATOM 0 HB2 TYR A 24 12.567 -15.093 -8.301 1.00 0.00 H new ATOM 0 HB3 TYR A 24 13.093 -14.114 -9.656 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.862 -17.066 -8.925 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.495 -13.630 -11.392 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.709 -17.452 -10.025 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.334 -14.035 -12.493 1.00 0.00 H new ATOM 0 HH TYR A 24 7.523 -15.309 -12.623 1.00 0.00 H new ATOM 343 N ARG A 25 14.968 -15.200 -11.667 1.00 0.00 N ATOM 344 CA ARG A 25 15.435 -15.040 -13.064 1.00 0.00 C ATOM 345 C ARG A 25 16.992 -14.983 -13.091 1.00 0.00 C ATOM 346 O ARG A 25 17.643 -15.955 -13.499 1.00 0.00 O ATOM 347 CB ARG A 25 14.763 -13.773 -13.700 1.00 0.00 C ATOM 348 CG ARG A 25 15.373 -13.279 -15.034 1.00 0.00 C ATOM 349 CD ARG A 25 15.375 -14.334 -16.163 1.00 0.00 C ATOM 350 NE ARG A 25 16.355 -13.996 -17.214 1.00 0.00 N ATOM 351 CZ ARG A 25 16.724 -14.788 -18.197 1.00 0.00 C ATOM 352 NH1 ARG A 25 16.150 -15.935 -18.399 1.00 0.00 N ATOM 353 NH2 ARG A 25 17.674 -14.415 -18.986 1.00 0.00 N ATOM 0 H ARG A 25 15.390 -14.530 -11.024 1.00 0.00 H new ATOM 0 HA ARG A 25 15.138 -15.896 -13.669 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.708 -13.990 -13.864 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.812 -12.959 -12.977 1.00 0.00 H new ATOM 0 HG2 ARG A 25 14.818 -12.404 -15.372 1.00 0.00 H new ATOM 0 HG3 ARG A 25 16.398 -12.956 -14.853 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.609 -15.314 -15.747 1.00 0.00 H new ATOM 0 HD3 ARG A 25 14.379 -14.403 -16.601 1.00 0.00 H new ATOM 0 HE ARG A 25 16.782 -13.070 -17.174 1.00 0.00 H new ATOM 0 HH11 ARG A 25 15.393 -16.241 -17.788 1.00 0.00 H new ATOM 0 HH12 ARG A 25 16.456 -16.530 -19.169 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.131 -13.514 -18.844 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.969 -15.021 -19.752 1.00 0.00 H new ATOM 367 N ASN A 26 17.571 -13.848 -12.655 1.00 0.00 N ATOM 368 CA ASN A 26 19.037 -13.693 -12.486 1.00 0.00 C ATOM 369 C ASN A 26 19.318 -12.717 -11.314 1.00 0.00 C ATOM 370 O ASN A 26 19.329 -11.489 -11.480 1.00 0.00 O ATOM 371 CB ASN A 26 19.748 -13.261 -13.815 1.00 0.00 C ATOM 372 CG ASN A 26 19.097 -12.083 -14.551 1.00 0.00 C ATOM 373 OD1 ASN A 26 18.310 -12.264 -15.468 1.00 0.00 O ATOM 374 ND2 ASN A 26 19.424 -10.867 -14.158 1.00 0.00 N ATOM 0 H ASN A 26 17.041 -13.012 -12.409 1.00 0.00 H new ATOM 0 HA ASN A 26 19.465 -14.664 -12.236 1.00 0.00 H new ATOM 0 HB2 ASN A 26 20.781 -13.000 -13.587 1.00 0.00 H new ATOM 0 HB3 ASN A 26 19.777 -14.118 -14.488 1.00 0.00 H new ATOM 0 HD21 ASN A 26 19.018 -10.055 -14.622 1.00 0.00 H new ATOM 0 HD22 ASN A 26 20.083 -10.739 -13.390 1.00 0.00 H new ATOM 381 N GLY A 27 19.503 -13.289 -10.109 1.00 0.00 N ATOM 382 CA GLY A 27 19.565 -12.509 -8.871 1.00 0.00 C ATOM 383 C GLY A 27 18.220 -11.861 -8.535 1.00 0.00 C ATOM 384 O GLY A 27 17.283 -12.547 -8.101 1.00 0.00 O ATOM 0 H GLY A 27 19.612 -14.294 -9.973 1.00 0.00 H new ATOM 0 HA2 GLY A 27 19.871 -13.156 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 27 20.326 -11.735 -8.968 1.00 0.00 H new ATOM 388 N PHE A 28 18.117 -10.542 -8.772 1.00 0.00 N ATOM 389 CA PHE A 28 16.889 -9.760 -8.509 1.00 0.00 C ATOM 390 C PHE A 28 15.853 -9.902 -9.655 1.00 0.00 C ATOM 391 O PHE A 28 16.165 -10.406 -10.746 1.00 0.00 O ATOM 392 CB PHE A 28 17.249 -8.266 -8.264 1.00 0.00 C ATOM 393 CG PHE A 28 17.931 -7.547 -9.447 1.00 0.00 C ATOM 394 CD1 PHE A 28 19.320 -7.581 -9.616 1.00 0.00 C ATOM 395 CD2 PHE A 28 17.182 -6.830 -10.392 1.00 0.00 C ATOM 396 CE1 PHE A 28 19.931 -6.931 -10.675 1.00 0.00 C ATOM 397 CE2 PHE A 28 17.797 -6.180 -11.452 1.00 0.00 C ATOM 398 CZ PHE A 28 19.170 -6.232 -11.593 1.00 0.00 C ATOM 0 H PHE A 28 18.882 -9.984 -9.152 1.00 0.00 H new ATOM 0 HA PHE A 28 16.423 -10.163 -7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 28 16.336 -7.727 -8.011 1.00 0.00 H new ATOM 0 HB3 PHE A 28 17.906 -8.206 -7.397 1.00 0.00 H new ATOM 0 HD1 PHE A 28 19.927 -8.125 -8.907 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.108 -6.783 -10.292 1.00 0.00 H new ATOM 0 HE1 PHE A 28 21.005 -6.970 -10.784 1.00 0.00 H new ATOM 0 HE2 PHE A 28 17.202 -5.633 -12.168 1.00 0.00 H new ATOM 0 HZ PHE A 28 19.648 -5.727 -12.419 1.00 0.00 H new ATOM 408 N CYS A 29 14.613 -9.444 -9.394 1.00 0.00 N ATOM 409 CA CYS A 29 13.523 -9.456 -10.394 1.00 0.00 C ATOM 410 C CYS A 29 13.430 -8.082 -11.102 1.00 0.00 C ATOM 411 O CYS A 29 12.823 -7.138 -10.569 1.00 0.00 O ATOM 412 CB CYS A 29 12.176 -9.809 -9.723 1.00 0.00 C ATOM 413 SG CYS A 29 12.192 -11.346 -8.769 1.00 0.00 S ATOM 0 H CYS A 29 14.338 -9.057 -8.491 1.00 0.00 H new ATOM 0 HA CYS A 29 13.746 -10.219 -11.140 1.00 0.00 H new ATOM 0 HB2 CYS A 29 11.888 -8.990 -9.064 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.409 -9.883 -10.494 1.00 0.00 H new ATOM 0 HG CYS A 29 10.974 -11.769 -8.608 1.00 0.00 H new ATOM 419 N GLN A 30 14.075 -7.967 -12.284 1.00 0.00 N ATOM 420 CA GLN A 30 14.028 -6.735 -13.105 1.00 0.00 C ATOM 421 C GLN A 30 12.637 -6.588 -13.785 1.00 0.00 C ATOM 422 O GLN A 30 12.366 -7.199 -14.827 1.00 0.00 O ATOM 423 CB GLN A 30 15.168 -6.728 -14.170 1.00 0.00 C ATOM 424 CG GLN A 30 15.305 -5.393 -14.944 1.00 0.00 C ATOM 425 CD GLN A 30 16.361 -5.411 -16.049 1.00 0.00 C ATOM 426 OE1 GLN A 30 16.628 -6.439 -16.661 1.00 0.00 O ATOM 427 NE2 GLN A 30 16.957 -4.267 -16.327 1.00 0.00 N ATOM 0 H GLN A 30 14.636 -8.715 -12.692 1.00 0.00 H new ATOM 0 HA GLN A 30 14.182 -5.881 -12.446 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.114 -6.947 -13.675 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.988 -7.532 -14.884 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.340 -5.141 -15.384 1.00 0.00 H new ATOM 0 HG3 GLN A 30 15.550 -4.600 -14.237 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.716 -3.426 -15.803 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.658 -4.224 -17.066 1.00 0.00 H new ATOM 436 N THR A 31 11.754 -5.812 -13.137 1.00 0.00 N ATOM 437 CA THR A 31 10.375 -5.537 -13.628 1.00 0.00 C ATOM 438 C THR A 31 10.363 -4.555 -14.830 1.00 0.00 C ATOM 439 O THR A 31 9.577 -4.714 -15.773 1.00 0.00 O ATOM 440 CB THR A 31 9.455 -4.996 -12.472 1.00 0.00 C ATOM 441 OG1 THR A 31 8.188 -4.554 -12.993 1.00 0.00 O ATOM 442 CG2 THR A 31 10.119 -3.855 -11.674 1.00 0.00 C ATOM 0 H THR A 31 11.968 -5.351 -12.253 1.00 0.00 H new ATOM 0 HA THR A 31 9.974 -6.489 -13.977 1.00 0.00 H new ATOM 0 HB THR A 31 9.295 -5.828 -11.786 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.893 -3.758 -12.504 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.442 -3.518 -10.889 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.045 -4.216 -11.225 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.340 -3.024 -12.343 1.00 0.00 H new ATOM 450 N ASP A 32 11.231 -3.531 -14.780 1.00 0.00 N ATOM 451 CA ASP A 32 11.442 -2.582 -15.898 1.00 0.00 C ATOM 452 C ASP A 32 12.896 -2.709 -16.425 1.00 0.00 C ATOM 453 O ASP A 32 13.846 -2.468 -15.672 1.00 0.00 O ATOM 454 CB ASP A 32 11.192 -1.126 -15.428 1.00 0.00 C ATOM 455 CG ASP A 32 9.787 -0.874 -14.859 1.00 0.00 C ATOM 456 OD1 ASP A 32 8.878 -0.516 -15.641 1.00 0.00 O ATOM 457 OD2 ASP A 32 9.600 -1.016 -13.627 1.00 0.00 O ATOM 0 H ASP A 32 11.810 -3.333 -13.964 1.00 0.00 H new ATOM 0 HA ASP A 32 10.739 -2.823 -16.695 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.930 -0.871 -14.667 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.356 -0.453 -16.269 1.00 0.00 H new ATOM 462 N VAL A 33 13.063 -3.081 -17.715 1.00 0.00 N ATOM 463 CA VAL A 33 14.403 -3.164 -18.368 1.00 0.00 C ATOM 464 C VAL A 33 15.081 -1.769 -18.511 1.00 0.00 C ATOM 465 O VAL A 33 16.306 -1.669 -18.659 1.00 0.00 O ATOM 466 CB VAL A 33 14.319 -3.870 -19.776 1.00 0.00 C ATOM 467 CG1 VAL A 33 13.911 -5.361 -19.637 1.00 0.00 C ATOM 468 CG2 VAL A 33 13.346 -3.117 -20.726 1.00 0.00 C ATOM 0 H VAL A 33 12.289 -3.330 -18.331 1.00 0.00 H new ATOM 0 HA VAL A 33 15.024 -3.771 -17.709 1.00 0.00 H new ATOM 0 HB VAL A 33 15.315 -3.836 -20.218 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.862 -5.818 -20.625 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.649 -5.885 -19.030 1.00 0.00 H new ATOM 0 HG13 VAL A 33 12.934 -5.428 -19.158 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.309 -3.627 -21.688 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.349 -3.100 -20.286 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.697 -2.095 -20.870 1.00 0.00 H new ATOM 478 N GLN A 34 14.257 -0.709 -18.484 1.00 0.00 N ATOM 479 CA GLN A 34 14.716 0.697 -18.455 1.00 0.00 C ATOM 480 C GLN A 34 14.855 1.211 -16.995 1.00 0.00 C ATOM 481 O GLN A 34 15.793 1.953 -16.682 1.00 0.00 O ATOM 482 CB GLN A 34 13.720 1.585 -19.259 1.00 0.00 C ATOM 483 CG GLN A 34 12.243 1.509 -18.789 1.00 0.00 C ATOM 484 CD GLN A 34 11.264 2.295 -19.670 1.00 0.00 C ATOM 485 OE1 GLN A 34 11.614 3.302 -20.265 1.00 0.00 O ATOM 486 NE2 GLN A 34 10.026 1.852 -19.746 1.00 0.00 N ATOM 0 H GLN A 34 13.241 -0.801 -18.482 1.00 0.00 H new ATOM 0 HA GLN A 34 15.701 0.754 -18.918 1.00 0.00 H new ATOM 0 HB2 GLN A 34 14.051 2.622 -19.199 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.766 1.296 -20.309 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.934 0.464 -18.764 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.178 1.885 -17.768 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.754 1.009 -19.241 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.339 2.352 -20.310 1.00 0.00 H new ATOM 495 N ASP A 35 13.923 0.764 -16.116 1.00 0.00 N ATOM 496 CA ASP A 35 13.735 1.293 -14.739 1.00 0.00 C ATOM 497 C ASP A 35 13.556 2.833 -14.732 1.00 0.00 C ATOM 498 O ASP A 35 14.528 3.585 -14.592 1.00 0.00 O ATOM 499 CB ASP A 35 14.867 0.805 -13.784 1.00 0.00 C ATOM 500 CG ASP A 35 14.818 1.443 -12.382 1.00 0.00 C ATOM 501 OD1 ASP A 35 13.881 1.143 -11.602 1.00 0.00 O ATOM 502 OD2 ASP A 35 15.725 2.246 -12.053 1.00 0.00 O ATOM 0 H ASP A 35 13.271 0.015 -16.346 1.00 0.00 H new ATOM 0 HA ASP A 35 12.804 0.883 -14.348 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.801 -0.278 -13.682 1.00 0.00 H new ATOM 0 HB3 ASP A 35 15.833 1.025 -14.239 1.00 0.00 H new ATOM 507 N ARG A 36 12.295 3.274 -14.939 1.00 0.00 N ATOM 508 CA ARG A 36 11.900 4.704 -14.870 1.00 0.00 C ATOM 509 C ARG A 36 10.374 4.892 -15.061 1.00 0.00 C ATOM 510 O ARG A 36 9.775 5.708 -14.366 1.00 0.00 O ATOM 511 CB ARG A 36 12.668 5.597 -15.907 1.00 0.00 C ATOM 512 CG ARG A 36 12.441 5.228 -17.394 1.00 0.00 C ATOM 513 CD ARG A 36 13.268 6.092 -18.363 1.00 0.00 C ATOM 514 NE ARG A 36 13.018 5.749 -19.779 1.00 0.00 N ATOM 515 CZ ARG A 36 13.943 5.529 -20.694 1.00 0.00 C ATOM 516 NH1 ARG A 36 15.209 5.543 -20.404 1.00 0.00 N ATOM 517 NH2 ARG A 36 13.581 5.292 -21.908 1.00 0.00 N ATOM 0 H ARG A 36 11.519 2.649 -15.159 1.00 0.00 H new ATOM 0 HA ARG A 36 12.177 5.033 -13.868 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.371 6.635 -15.758 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.735 5.537 -15.694 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.695 4.179 -17.545 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.383 5.337 -17.632 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.032 7.143 -18.200 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.328 5.966 -18.143 1.00 0.00 H new ATOM 0 HE ARG A 36 12.045 5.676 -20.075 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.511 5.728 -19.447 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.901 5.369 -21.133 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.590 5.276 -22.151 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.285 5.120 -22.626 1.00 0.00 H new ATOM 531 N GLY A 37 9.779 4.102 -15.996 1.00 0.00 N ATOM 532 CA GLY A 37 8.416 4.330 -16.540 1.00 0.00 C ATOM 533 C GLY A 37 7.280 4.368 -15.505 1.00 0.00 C ATOM 534 O GLY A 37 6.578 3.373 -15.307 1.00 0.00 O ATOM 0 H GLY A 37 10.238 3.283 -16.395 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.416 5.273 -17.086 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.198 3.544 -17.263 1.00 0.00 H new ATOM 538 N SER A 38 7.140 5.538 -14.832 1.00 0.00 N ATOM 539 CA SER A 38 6.176 5.793 -13.720 1.00 0.00 C ATOM 540 C SER A 38 6.378 4.874 -12.477 1.00 0.00 C ATOM 541 O SER A 38 5.698 5.074 -11.464 1.00 0.00 O ATOM 542 CB SER A 38 4.703 5.714 -14.208 1.00 0.00 C ATOM 543 OG SER A 38 4.443 6.653 -15.241 1.00 0.00 O ATOM 0 H SER A 38 7.709 6.356 -15.051 1.00 0.00 H new ATOM 0 HA SER A 38 6.393 6.810 -13.392 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.492 4.707 -14.569 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.031 5.899 -13.370 1.00 0.00 H new ATOM 0 HG SER A 38 3.509 6.575 -15.526 1.00 0.00 H new ATOM 549 N HIS A 39 7.352 3.923 -12.552 1.00 0.00 N ATOM 550 CA HIS A 39 7.554 2.814 -11.574 1.00 0.00 C ATOM 551 C HIS A 39 6.336 1.850 -11.512 1.00 0.00 C ATOM 552 O HIS A 39 5.178 2.274 -11.528 1.00 0.00 O ATOM 553 CB HIS A 39 7.924 3.346 -10.161 1.00 0.00 C ATOM 554 CG HIS A 39 9.259 4.046 -10.114 1.00 0.00 C ATOM 555 ND1 HIS A 39 10.404 3.441 -9.645 1.00 0.00 N ATOM 556 CD2 HIS A 39 9.631 5.302 -10.480 1.00 0.00 C ATOM 557 CE1 HIS A 39 11.412 4.281 -9.725 1.00 0.00 C ATOM 558 NE2 HIS A 39 10.973 5.413 -10.225 1.00 0.00 N ATOM 0 H HIS A 39 8.033 3.906 -13.311 1.00 0.00 H new ATOM 0 HA HIS A 39 8.402 2.235 -11.940 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.149 4.035 -9.826 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.934 2.513 -9.459 1.00 0.00 H new ATOM 0 HD1 HIS A 39 10.461 2.487 -9.290 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.990 6.067 -10.893 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.430 4.075 -9.429 1.00 0.00 H new ATOM 567 N THR A 40 6.612 0.541 -11.426 1.00 0.00 N ATOM 568 CA THR A 40 5.564 -0.502 -11.432 1.00 0.00 C ATOM 569 C THR A 40 5.158 -0.895 -9.995 1.00 0.00 C ATOM 570 O THR A 40 5.898 -1.597 -9.283 1.00 0.00 O ATOM 571 CB THR A 40 6.040 -1.771 -12.202 1.00 0.00 C ATOM 572 OG1 THR A 40 7.287 -2.226 -11.664 1.00 0.00 O ATOM 573 CG2 THR A 40 6.197 -1.532 -13.703 1.00 0.00 C ATOM 0 H THR A 40 7.560 0.172 -11.351 1.00 0.00 H new ATOM 0 HA THR A 40 4.696 -0.082 -11.941 1.00 0.00 H new ATOM 0 HB THR A 40 5.266 -2.527 -12.071 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.217 -2.295 -10.689 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.530 -2.451 -14.185 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.239 -1.228 -14.125 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.934 -0.746 -13.871 1.00 0.00 H new ATOM 581 N VAL A 41 3.992 -0.379 -9.558 1.00 0.00 N ATOM 582 CA VAL A 41 3.341 -0.768 -8.292 1.00 0.00 C ATOM 583 C VAL A 41 1.829 -0.985 -8.539 1.00 0.00 C ATOM 584 O VAL A 41 1.069 -0.016 -8.688 1.00 0.00 O ATOM 585 CB VAL A 41 3.511 0.304 -7.142 1.00 0.00 C ATOM 586 CG1 VAL A 41 2.984 -0.255 -5.785 1.00 0.00 C ATOM 587 CG2 VAL A 41 4.970 0.809 -7.022 1.00 0.00 C ATOM 0 H VAL A 41 3.471 0.326 -10.079 1.00 0.00 H new ATOM 0 HA VAL A 41 3.831 -1.684 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 41 2.906 1.170 -7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.110 0.498 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.927 -0.505 -5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.546 -1.150 -5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.036 1.543 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.629 -0.031 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.274 1.271 -7.962 1.00 0.00 H new ATOM 597 N CYS A 42 1.399 -2.250 -8.635 1.00 0.00 N ATOM 598 CA CYS A 42 -0.034 -2.598 -8.655 1.00 0.00 C ATOM 599 C CYS A 42 -0.400 -3.260 -7.311 1.00 0.00 C ATOM 600 O CYS A 42 -0.107 -4.436 -7.078 1.00 0.00 O ATOM 601 CB CYS A 42 -0.341 -3.535 -9.843 1.00 0.00 C ATOM 602 SG CYS A 42 0.139 -2.863 -11.453 1.00 0.00 S ATOM 0 H CYS A 42 2.023 -3.054 -8.700 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.636 -1.699 -8.785 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.175 -4.483 -9.688 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.409 -3.752 -9.855 1.00 0.00 H new ATOM 0 HG CYS A 42 1.306 -3.328 -11.787 1.00 0.00 H new ATOM 608 N ALA A 43 -1.080 -2.491 -6.453 1.00 0.00 N ATOM 609 CA ALA A 43 -1.407 -2.879 -5.065 1.00 0.00 C ATOM 610 C ALA A 43 -2.805 -2.365 -4.698 1.00 0.00 C ATOM 611 O ALA A 43 -3.203 -1.282 -5.149 1.00 0.00 O ATOM 612 CB ALA A 43 -0.343 -2.305 -4.110 1.00 0.00 C ATOM 0 H ALA A 43 -1.427 -1.565 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.408 -3.965 -4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.582 -2.590 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.637 -2.700 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.330 -1.218 -4.191 1.00 0.00 H new ATOM 618 N GLU A 44 -3.567 -3.131 -3.906 1.00 0.00 N ATOM 619 CA GLU A 44 -4.925 -2.718 -3.493 1.00 0.00 C ATOM 620 C GLU A 44 -4.916 -2.197 -2.043 1.00 0.00 C ATOM 621 O GLU A 44 -4.769 -2.979 -1.097 1.00 0.00 O ATOM 622 CB GLU A 44 -5.941 -3.893 -3.616 1.00 0.00 C ATOM 623 CG GLU A 44 -5.869 -4.698 -4.935 1.00 0.00 C ATOM 624 CD GLU A 44 -4.931 -5.926 -4.861 1.00 0.00 C ATOM 625 OE1 GLU A 44 -3.715 -5.801 -5.144 1.00 0.00 O ATOM 626 OE2 GLU A 44 -5.412 -7.018 -4.488 1.00 0.00 O ATOM 0 H GLU A 44 -3.273 -4.036 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.239 -1.918 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.781 -4.578 -2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.949 -3.492 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.871 -5.033 -5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.529 -4.040 -5.735 1.00 0.00 H new ATOM 633 N MET A 45 -5.061 -0.876 -1.879 1.00 0.00 N ATOM 634 CA MET A 45 -5.297 -0.258 -0.560 1.00 0.00 C ATOM 635 C MET A 45 -6.814 -0.152 -0.307 1.00 0.00 C ATOM 636 O MET A 45 -7.565 0.217 -1.213 1.00 0.00 O ATOM 637 CB MET A 45 -4.628 1.135 -0.486 1.00 0.00 C ATOM 638 CG MET A 45 -3.121 1.125 -0.824 1.00 0.00 C ATOM 639 SD MET A 45 -2.415 2.781 -0.952 1.00 0.00 S ATOM 640 CE MET A 45 -2.819 3.440 0.647 1.00 0.00 C ATOM 0 H MET A 45 -5.019 -0.207 -2.648 1.00 0.00 H new ATOM 0 HA MET A 45 -4.852 -0.883 0.214 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.140 1.810 -1.172 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.762 1.539 0.517 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.586 0.566 -0.056 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.969 0.598 -1.766 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.073 4.180 0.935 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.801 3.911 0.609 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.831 2.634 1.380 1.00 0.00 H new ATOM 650 N THR A 46 -7.257 -0.465 0.922 1.00 0.00 N ATOM 651 CA THR A 46 -8.696 -0.529 1.266 1.00 0.00 C ATOM 652 C THR A 46 -9.266 0.861 1.587 1.00 0.00 C ATOM 653 O THR A 46 -8.532 1.790 1.950 1.00 0.00 O ATOM 654 CB THR A 46 -8.966 -1.459 2.497 1.00 0.00 C ATOM 655 OG1 THR A 46 -8.276 -0.955 3.652 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.538 -2.913 2.231 1.00 0.00 C ATOM 0 H THR A 46 -6.637 -0.680 1.703 1.00 0.00 H new ATOM 0 HA THR A 46 -9.191 -0.938 0.385 1.00 0.00 H new ATOM 0 HB THR A 46 -10.041 -1.459 2.676 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.450 -1.540 4.419 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.744 -3.520 3.112 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.095 -3.307 1.381 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.471 -2.944 2.011 1.00 0.00 H new ATOM 664 N GLU A 47 -10.601 0.963 1.485 1.00 0.00 N ATOM 665 CA GLU A 47 -11.356 2.199 1.762 1.00 0.00 C ATOM 666 C GLU A 47 -11.167 2.663 3.220 1.00 0.00 C ATOM 667 O GLU A 47 -11.256 3.844 3.504 1.00 0.00 O ATOM 668 CB GLU A 47 -12.853 1.991 1.421 1.00 0.00 C ATOM 669 CG GLU A 47 -13.687 3.287 1.361 1.00 0.00 C ATOM 670 CD GLU A 47 -15.185 3.032 1.088 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.861 2.468 1.976 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.689 3.402 0.003 1.00 0.00 O ATOM 0 H GLU A 47 -11.194 0.182 1.205 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.964 2.993 1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.925 1.484 0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.292 1.327 2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.582 3.823 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.287 3.934 0.580 1.00 0.00 H new ATOM 679 N GLU A 48 -10.917 1.702 4.125 1.00 0.00 N ATOM 680 CA GLU A 48 -10.592 1.965 5.533 1.00 0.00 C ATOM 681 C GLU A 48 -9.437 3.006 5.685 1.00 0.00 C ATOM 682 O GLU A 48 -9.609 4.029 6.353 1.00 0.00 O ATOM 683 CB GLU A 48 -10.210 0.625 6.207 1.00 0.00 C ATOM 684 CG GLU A 48 -9.807 0.736 7.683 1.00 0.00 C ATOM 685 CD GLU A 48 -10.943 1.216 8.613 1.00 0.00 C ATOM 686 OE1 GLU A 48 -11.822 0.393 8.961 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.963 2.403 9.009 1.00 0.00 O ATOM 0 H GLU A 48 -10.936 0.709 3.894 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.466 2.398 6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.055 -0.059 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.384 0.179 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.457 -0.237 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.967 1.425 7.768 1.00 0.00 H new ATOM 694 N PHE A 49 -8.274 2.751 5.032 1.00 0.00 N ATOM 695 CA PHE A 49 -7.131 3.697 5.077 1.00 0.00 C ATOM 696 C PHE A 49 -7.384 4.938 4.186 1.00 0.00 C ATOM 697 O PHE A 49 -6.972 6.038 4.538 1.00 0.00 O ATOM 698 CB PHE A 49 -5.780 3.029 4.681 1.00 0.00 C ATOM 699 CG PHE A 49 -4.596 4.011 4.754 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.084 4.422 5.982 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.036 4.568 3.603 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.050 5.341 6.060 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.007 5.494 3.681 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.515 5.878 4.909 1.00 0.00 C ATOM 0 H PHE A 49 -8.105 1.912 4.477 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.051 4.017 6.116 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.588 2.183 5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.857 2.632 3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.501 4.016 6.892 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.411 4.272 2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.663 5.637 7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.591 5.915 2.778 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.712 6.598 4.970 1.00 0.00 H new ATOM 714 N LEU A 50 -8.043 4.755 3.030 1.00 0.00 N ATOM 715 CA LEU A 50 -8.303 5.871 2.073 1.00 0.00 C ATOM 716 C LEU A 50 -9.317 6.909 2.640 1.00 0.00 C ATOM 717 O LEU A 50 -9.278 8.085 2.267 1.00 0.00 O ATOM 718 CB LEU A 50 -8.727 5.309 0.674 1.00 0.00 C ATOM 719 CG LEU A 50 -7.559 4.912 -0.285 1.00 0.00 C ATOM 720 CD1 LEU A 50 -6.645 3.843 0.327 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.108 4.474 -1.660 1.00 0.00 C ATOM 0 H LEU A 50 -8.409 3.853 2.726 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.371 6.420 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.356 4.433 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.343 6.057 0.175 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.941 5.797 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.848 3.600 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.210 4.222 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.227 2.946 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.279 4.202 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.766 3.615 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.667 5.296 -2.107 1.00 0.00 H new ATOM 733 N LEU A 51 -10.206 6.463 3.546 1.00 0.00 N ATOM 734 CA LEU A 51 -11.073 7.355 4.358 1.00 0.00 C ATOM 735 C LEU A 51 -10.280 7.970 5.540 1.00 0.00 C ATOM 736 O LEU A 51 -10.527 9.107 5.921 1.00 0.00 O ATOM 737 CB LEU A 51 -12.340 6.604 4.856 1.00 0.00 C ATOM 738 CG LEU A 51 -13.384 6.219 3.758 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.579 5.456 4.373 1.00 0.00 C ATOM 740 CD2 LEU A 51 -13.855 7.461 2.965 1.00 0.00 C ATOM 0 H LEU A 51 -10.348 5.472 3.741 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.407 8.173 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.022 5.693 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.838 7.226 5.600 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.891 5.551 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.290 5.200 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.221 4.544 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.069 6.085 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.580 7.157 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.318 8.174 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.999 7.928 2.478 1.00 0.00 H new ATOM 752 N PHE A 52 -9.322 7.207 6.118 1.00 0.00 N ATOM 753 CA PHE A 52 -8.362 7.749 7.123 1.00 0.00 C ATOM 754 C PHE A 52 -7.480 8.868 6.492 1.00 0.00 C ATOM 755 O PHE A 52 -7.073 9.800 7.170 1.00 0.00 O ATOM 756 CB PHE A 52 -7.482 6.604 7.709 1.00 0.00 C ATOM 757 CG PHE A 52 -6.409 7.069 8.704 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.759 7.527 9.975 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.052 7.059 8.363 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.793 7.965 10.866 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.088 7.493 9.256 1.00 0.00 C ATOM 762 CZ PHE A 52 -4.459 7.944 10.507 1.00 0.00 C ATOM 0 H PHE A 52 -9.189 6.217 5.910 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.930 8.192 7.942 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.131 5.882 8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.994 6.081 6.886 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.798 7.540 10.268 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.752 6.707 7.387 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.083 8.323 11.843 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.045 7.479 8.974 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.707 8.280 11.205 1.00 0.00 H new ATOM 772 N SER A 53 -7.204 8.747 5.184 1.00 0.00 N ATOM 773 CA SER A 53 -6.453 9.767 4.409 1.00 0.00 C ATOM 774 C SER A 53 -7.348 10.992 4.103 1.00 0.00 C ATOM 775 O SER A 53 -6.916 12.147 4.208 1.00 0.00 O ATOM 776 CB SER A 53 -5.949 9.153 3.082 1.00 0.00 C ATOM 777 OG SER A 53 -5.155 7.996 3.301 1.00 0.00 O ATOM 0 H SER A 53 -7.492 7.942 4.627 1.00 0.00 H new ATOM 0 HA SER A 53 -5.603 10.095 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.802 8.894 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.366 9.895 2.537 1.00 0.00 H new ATOM 0 HG SER A 53 -5.703 7.297 3.716 1.00 0.00 H new ATOM 783 N ARG A 54 -8.607 10.704 3.725 1.00 0.00 N ATOM 784 CA ARG A 54 -9.595 11.713 3.289 1.00 0.00 C ATOM 785 C ARG A 54 -10.100 12.595 4.460 1.00 0.00 C ATOM 786 O ARG A 54 -9.869 13.798 4.479 1.00 0.00 O ATOM 787 CB ARG A 54 -10.786 10.969 2.609 1.00 0.00 C ATOM 788 CG ARG A 54 -12.012 11.840 2.254 1.00 0.00 C ATOM 789 CD ARG A 54 -13.159 11.025 1.627 1.00 0.00 C ATOM 790 NE ARG A 54 -14.412 11.797 1.583 1.00 0.00 N ATOM 791 CZ ARG A 54 -15.473 11.575 2.334 1.00 0.00 C ATOM 792 NH1 ARG A 54 -15.478 10.643 3.243 1.00 0.00 N ATOM 793 NH2 ARG A 54 -16.513 12.327 2.197 1.00 0.00 N ATOM 0 H ARG A 54 -8.973 9.752 3.713 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.113 12.390 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.422 10.499 1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.114 10.167 3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.374 12.335 3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.707 12.624 1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.882 10.723 0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.314 10.112 2.202 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.464 12.567 0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.649 10.066 3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.311 10.490 3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.509 13.084 1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.339 12.164 2.773 1.00 0.00 H new ATOM 807 N ASP A 55 -10.727 11.960 5.451 1.00 0.00 N ATOM 808 CA ASP A 55 -11.457 12.652 6.536 1.00 0.00 C ATOM 809 C ASP A 55 -10.525 13.196 7.654 1.00 0.00 C ATOM 810 O ASP A 55 -10.952 14.023 8.463 1.00 0.00 O ATOM 811 CB ASP A 55 -12.526 11.694 7.109 1.00 0.00 C ATOM 812 CG ASP A 55 -13.533 11.237 6.029 1.00 0.00 C ATOM 813 OD1 ASP A 55 -13.284 10.218 5.344 1.00 0.00 O ATOM 814 OD2 ASP A 55 -14.571 11.907 5.849 1.00 0.00 O ATOM 0 H ASP A 55 -10.748 10.943 5.532 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.937 13.533 6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.036 10.821 7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.062 12.191 7.917 1.00 0.00 H new ATOM 819 N ARG A 56 -9.262 12.724 7.713 1.00 0.00 N ATOM 820 CA ARG A 56 -8.249 13.288 8.645 1.00 0.00 C ATOM 821 C ARG A 56 -7.601 14.566 8.051 1.00 0.00 C ATOM 822 O ARG A 56 -7.306 15.520 8.780 1.00 0.00 O ATOM 823 CB ARG A 56 -7.163 12.233 8.976 1.00 0.00 C ATOM 824 CG ARG A 56 -6.174 12.635 10.097 1.00 0.00 C ATOM 825 CD ARG A 56 -6.843 12.767 11.483 1.00 0.00 C ATOM 826 NE ARG A 56 -5.921 13.318 12.502 1.00 0.00 N ATOM 827 CZ ARG A 56 -5.878 12.964 13.771 1.00 0.00 C ATOM 828 NH1 ARG A 56 -6.605 11.992 14.229 1.00 0.00 N ATOM 829 NH2 ARG A 56 -5.091 13.586 14.581 1.00 0.00 N ATOM 0 H ARG A 56 -8.916 11.960 7.133 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.757 13.562 9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.657 11.305 9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.595 12.023 8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.379 11.892 10.154 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.705 13.584 9.836 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.718 13.412 11.402 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.197 11.789 11.808 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.262 14.034 12.195 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.228 11.482 13.603 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.553 11.737 15.215 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.506 14.348 14.239 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.054 13.316 15.564 1.00 0.00 H new ATOM 843 N GLY A 57 -7.381 14.560 6.722 1.00 0.00 N ATOM 844 CA GLY A 57 -6.831 15.725 6.008 1.00 0.00 C ATOM 845 C GLY A 57 -7.906 16.775 5.684 1.00 0.00 C ATOM 846 O GLY A 57 -7.952 17.843 6.302 1.00 0.00 O ATOM 0 H GLY A 57 -7.577 13.759 6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.050 16.184 6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.362 15.392 5.082 1.00 0.00 H new ATOM 850 N ASN A 58 -8.769 16.442 4.709 1.00 0.00 N ATOM 851 CA ASN A 58 -9.936 17.266 4.287 1.00 0.00 C ATOM 852 C ASN A 58 -10.784 16.448 3.286 1.00 0.00 C ATOM 853 O ASN A 58 -11.966 16.160 3.524 1.00 0.00 O ATOM 854 CB ASN A 58 -9.489 18.617 3.650 1.00 0.00 C ATOM 855 CG ASN A 58 -10.670 19.501 3.236 1.00 0.00 C ATOM 856 OD1 ASN A 58 -11.170 20.303 4.016 1.00 0.00 O ATOM 857 ND2 ASN A 58 -11.124 19.361 2.005 1.00 0.00 N ATOM 0 H ASN A 58 -8.681 15.577 4.176 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.530 17.512 5.167 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.867 19.160 4.362 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.870 18.414 2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.909 19.928 1.683 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.690 18.686 1.375 1.00 0.00 H new ATOM 864 N ASP A 59 -10.141 16.078 2.164 1.00 0.00 N ATOM 865 CA ASP A 59 -10.708 15.167 1.154 1.00 0.00 C ATOM 866 C ASP A 59 -9.586 14.304 0.515 1.00 0.00 C ATOM 867 O ASP A 59 -8.409 14.437 0.861 1.00 0.00 O ATOM 868 CB ASP A 59 -11.492 15.962 0.068 1.00 0.00 C ATOM 869 CG ASP A 59 -10.591 16.792 -0.869 1.00 0.00 C ATOM 870 OD1 ASP A 59 -9.972 17.778 -0.401 1.00 0.00 O ATOM 871 OD2 ASP A 59 -10.479 16.445 -2.071 1.00 0.00 O ATOM 0 H ASP A 59 -9.204 16.406 1.931 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.413 14.498 1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.076 15.262 -0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.200 16.629 0.560 1.00 0.00 H new ATOM 876 N LEU A 60 -9.984 13.415 -0.402 1.00 0.00 N ATOM 877 CA LEU A 60 -9.067 12.583 -1.225 1.00 0.00 C ATOM 878 C LEU A 60 -9.844 12.131 -2.468 1.00 0.00 C ATOM 879 O LEU A 60 -9.426 12.343 -3.613 1.00 0.00 O ATOM 880 CB LEU A 60 -8.538 11.344 -0.439 1.00 0.00 C ATOM 881 CG LEU A 60 -7.582 10.384 -1.229 1.00 0.00 C ATOM 882 CD1 LEU A 60 -6.261 11.086 -1.620 1.00 0.00 C ATOM 883 CD2 LEU A 60 -7.321 9.077 -0.444 1.00 0.00 C ATOM 0 H LEU A 60 -10.969 13.242 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.193 13.173 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.012 11.699 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.395 10.766 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.088 10.114 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.626 10.388 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.480 11.947 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.745 11.418 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.655 8.434 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.858 9.314 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.266 8.561 -0.273 1.00 0.00 H new ATOM 895 N MET A 61 -10.990 11.486 -2.201 1.00 0.00 N ATOM 896 CA MET A 61 -12.011 11.195 -3.214 1.00 0.00 C ATOM 897 C MET A 61 -12.870 12.473 -3.415 1.00 0.00 C ATOM 898 O MET A 61 -13.866 12.675 -2.711 1.00 0.00 O ATOM 899 CB MET A 61 -12.880 9.989 -2.746 1.00 0.00 C ATOM 900 CG MET A 61 -12.080 8.713 -2.422 1.00 0.00 C ATOM 901 SD MET A 61 -13.110 7.405 -1.711 1.00 0.00 S ATOM 902 CE MET A 61 -11.909 6.105 -1.390 1.00 0.00 C ATOM 0 H MET A 61 -11.234 11.150 -1.269 1.00 0.00 H new ATOM 0 HA MET A 61 -11.553 10.922 -4.165 1.00 0.00 H new ATOM 0 HB2 MET A 61 -13.442 10.285 -1.860 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.608 9.759 -3.524 1.00 0.00 H new ATOM 0 HG2 MET A 61 -11.608 8.344 -3.333 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.279 8.958 -1.725 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.343 5.138 -1.643 1.00 0.00 H new ATOM 0 HE2 MET A 61 -11.019 6.274 -1.997 1.00 0.00 H new ATOM 0 HE3 MET A 61 -11.636 6.115 -0.335 1.00 0.00 H new ATOM 912 N THR A 62 -12.406 13.366 -4.319 1.00 0.00 N ATOM 913 CA THR A 62 -13.038 14.685 -4.576 1.00 0.00 C ATOM 914 C THR A 62 -14.505 14.539 -5.075 1.00 0.00 C ATOM 915 O THR A 62 -14.742 13.845 -6.072 1.00 0.00 O ATOM 916 CB THR A 62 -12.205 15.507 -5.625 1.00 0.00 C ATOM 917 OG1 THR A 62 -10.864 15.719 -5.137 1.00 0.00 O ATOM 918 CG2 THR A 62 -12.840 16.877 -5.962 1.00 0.00 C ATOM 0 H THR A 62 -11.581 13.194 -4.893 1.00 0.00 H new ATOM 0 HA THR A 62 -13.053 15.220 -3.626 1.00 0.00 H new ATOM 0 HB THR A 62 -12.192 14.915 -6.540 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.893 15.920 -4.178 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.218 17.397 -6.691 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.836 16.724 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.913 17.477 -5.055 1.00 0.00 H new ATOM 926 N PRO A 63 -15.512 15.175 -4.381 1.00 0.00 N ATOM 927 CA PRO A 63 -16.938 15.145 -4.813 1.00 0.00 C ATOM 928 C PRO A 63 -17.171 15.911 -6.150 1.00 0.00 C ATOM 929 O PRO A 63 -17.439 17.119 -6.157 1.00 0.00 O ATOM 930 CB PRO A 63 -17.706 15.799 -3.616 1.00 0.00 C ATOM 931 CG PRO A 63 -16.724 15.795 -2.477 1.00 0.00 C ATOM 932 CD PRO A 63 -15.361 15.943 -3.114 1.00 0.00 C ATOM 0 HA PRO A 63 -17.283 14.133 -5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -18.026 16.813 -3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.603 15.233 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.924 16.613 -1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.791 14.869 -1.905 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.111 16.988 -3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.572 15.534 -2.483 1.00 0.00 H new ATOM 940 N ARG A 64 -16.997 15.195 -7.274 1.00 0.00 N ATOM 941 CA ARG A 64 -17.230 15.725 -8.636 1.00 0.00 C ATOM 942 C ARG A 64 -18.710 15.518 -9.069 1.00 0.00 C ATOM 943 O ARG A 64 -19.280 14.449 -8.819 1.00 0.00 O ATOM 944 CB ARG A 64 -16.272 15.028 -9.646 1.00 0.00 C ATOM 945 CG ARG A 64 -14.771 15.346 -9.440 1.00 0.00 C ATOM 946 CD ARG A 64 -13.871 14.646 -10.476 1.00 0.00 C ATOM 947 NE ARG A 64 -12.453 15.049 -10.355 1.00 0.00 N ATOM 948 CZ ARG A 64 -11.535 14.909 -11.295 1.00 0.00 C ATOM 949 NH1 ARG A 64 -11.824 14.404 -12.453 1.00 0.00 N ATOM 950 NH2 ARG A 64 -10.322 15.294 -11.067 1.00 0.00 N ATOM 0 H ARG A 64 -16.688 14.223 -7.267 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.026 16.796 -8.628 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -16.414 13.950 -9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -16.556 15.321 -10.657 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.620 16.424 -9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.472 15.039 -8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.951 13.566 -10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -14.228 14.879 -11.479 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.160 15.470 -9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.778 14.104 -12.655 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.098 14.306 -13.162 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.078 15.703 -10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.609 15.188 -11.789 1.00 0.00 H new ATOM 964 N PRO A 65 -19.354 16.533 -9.747 1.00 0.00 N ATOM 965 CA PRO A 65 -20.753 16.405 -10.254 1.00 0.00 C ATOM 966 C PRO A 65 -20.875 15.560 -11.562 1.00 0.00 C ATOM 967 O PRO A 65 -21.951 15.502 -12.172 1.00 0.00 O ATOM 968 CB PRO A 65 -21.157 17.880 -10.486 1.00 0.00 C ATOM 969 CG PRO A 65 -19.870 18.546 -10.885 1.00 0.00 C ATOM 970 CD PRO A 65 -18.792 17.890 -10.038 1.00 0.00 C ATOM 0 HA PRO A 65 -21.396 15.869 -9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -21.913 17.970 -11.267 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -21.576 18.327 -9.584 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -19.671 18.409 -11.948 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -19.912 19.620 -10.704 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.845 17.826 -10.573 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.604 18.451 -9.123 1.00 0.00 H new ATOM 978 N GLU A 66 -19.766 14.921 -11.975 1.00 0.00 N ATOM 979 CA GLU A 66 -19.725 14.007 -13.141 1.00 0.00 C ATOM 980 C GLU A 66 -18.533 13.026 -12.963 1.00 0.00 C ATOM 981 O GLU A 66 -17.474 13.406 -12.451 1.00 0.00 O ATOM 982 CB GLU A 66 -19.612 14.839 -14.464 1.00 0.00 C ATOM 983 CG GLU A 66 -20.124 14.166 -15.766 1.00 0.00 C ATOM 984 CD GLU A 66 -19.324 12.933 -16.234 1.00 0.00 C ATOM 985 OE1 GLU A 66 -18.142 13.092 -16.604 1.00 0.00 O ATOM 986 OE2 GLU A 66 -19.861 11.802 -16.193 1.00 0.00 O ATOM 0 H GLU A 66 -18.864 15.022 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 66 -20.643 13.423 -13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -20.161 15.771 -14.326 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.565 15.104 -14.609 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -21.162 13.869 -15.617 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -20.116 14.907 -16.565 1.00 0.00 H new ATOM 993 N PHE A 67 -18.715 11.770 -13.400 1.00 0.00 N ATOM 994 CA PHE A 67 -17.731 10.681 -13.207 1.00 0.00 C ATOM 995 C PHE A 67 -16.963 10.401 -14.523 1.00 0.00 C ATOM 996 O PHE A 67 -17.379 9.572 -15.346 1.00 0.00 O ATOM 997 CB PHE A 67 -18.453 9.405 -12.688 1.00 0.00 C ATOM 998 CG PHE A 67 -19.232 9.632 -11.389 1.00 0.00 C ATOM 999 CD1 PHE A 67 -18.564 9.738 -10.167 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -20.627 9.766 -11.390 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -19.261 9.970 -8.993 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -21.320 9.994 -10.211 1.00 0.00 C ATOM 1003 CZ PHE A 67 -20.636 10.097 -9.014 1.00 0.00 C ATOM 0 H PHE A 67 -19.553 11.475 -13.901 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.999 10.988 -12.460 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -19.139 9.047 -13.456 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -17.715 8.619 -12.528 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -17.489 9.638 -10.137 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -21.169 9.691 -12.321 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -18.727 10.052 -8.058 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -22.395 10.091 -10.228 1.00 0.00 H new ATOM 0 HZ PHE A 67 -21.176 10.277 -8.096 1.00 0.00 H new ATOM 1013 N ASN A 68 -15.869 11.149 -14.731 1.00 0.00 N ATOM 1014 CA ASN A 68 -15.006 11.019 -15.931 1.00 0.00 C ATOM 1015 C ASN A 68 -13.936 9.899 -15.778 1.00 0.00 C ATOM 1016 O ASN A 68 -13.887 8.969 -16.594 1.00 0.00 O ATOM 1017 CB ASN A 68 -14.357 12.395 -16.286 1.00 0.00 C ATOM 1018 CG ASN A 68 -13.507 13.034 -15.167 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -13.726 12.819 -13.975 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -12.539 13.847 -15.549 1.00 0.00 N ATOM 0 H ASN A 68 -15.551 11.863 -14.076 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.643 10.715 -16.762 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.729 12.265 -17.167 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.149 13.092 -16.560 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.957 14.310 -14.851 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.374 14.012 -16.542 1.00 0.00 H new ATOM 1027 N PHE A 69 -13.097 9.982 -14.726 1.00 0.00 N ATOM 1028 CA PHE A 69 -11.965 9.044 -14.509 1.00 0.00 C ATOM 1029 C PHE A 69 -12.375 7.869 -13.578 1.00 0.00 C ATOM 1030 O PHE A 69 -12.694 8.100 -12.404 1.00 0.00 O ATOM 1031 CB PHE A 69 -10.753 9.813 -13.907 1.00 0.00 C ATOM 1032 CG PHE A 69 -9.522 8.941 -13.595 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -8.744 8.404 -14.624 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -9.146 8.660 -12.274 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -7.634 7.624 -14.344 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -8.035 7.881 -12.000 1.00 0.00 C ATOM 1037 CZ PHE A 69 -7.280 7.364 -13.035 1.00 0.00 C ATOM 0 H PHE A 69 -13.180 10.696 -14.003 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.682 8.620 -15.473 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.457 10.598 -14.603 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.073 10.305 -12.989 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.012 8.600 -15.652 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.732 9.057 -11.458 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.044 7.218 -15.152 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.758 7.677 -10.976 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.413 6.757 -12.820 1.00 0.00 H new ATOM 1047 N PRO A 70 -12.410 6.590 -14.092 1.00 0.00 N ATOM 1048 CA PRO A 70 -12.593 5.391 -13.238 1.00 0.00 C ATOM 1049 C PRO A 70 -11.289 5.029 -12.456 1.00 0.00 C ATOM 1050 O PRO A 70 -11.214 5.243 -11.238 1.00 0.00 O ATOM 1051 CB PRO A 70 -13.024 4.279 -14.256 1.00 0.00 C ATOM 1052 CG PRO A 70 -13.238 4.995 -15.568 1.00 0.00 C ATOM 1053 CD PRO A 70 -12.335 6.206 -15.522 1.00 0.00 C ATOM 0 HA PRO A 70 -13.334 5.535 -12.452 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.255 3.512 -14.348 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.935 3.779 -13.928 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.988 4.351 -16.411 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.281 5.288 -15.689 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -11.316 5.968 -15.828 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -12.687 7.003 -16.178 1.00 0.00 H new ATOM 1061 N GLY A 71 -10.262 4.521 -13.189 1.00 0.00 N ATOM 1062 CA GLY A 71 -8.944 4.165 -12.619 1.00 0.00 C ATOM 1063 C GLY A 71 -9.011 3.217 -11.416 1.00 0.00 C ATOM 1064 O GLY A 71 -9.277 2.022 -11.572 1.00 0.00 O ATOM 0 H GLY A 71 -10.330 4.349 -14.192 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.338 3.702 -13.398 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.433 5.079 -12.318 1.00 0.00 H new ATOM 1068 N LEU A 72 -8.792 3.771 -10.212 1.00 0.00 N ATOM 1069 CA LEU A 72 -8.919 3.021 -8.943 1.00 0.00 C ATOM 1070 C LEU A 72 -9.335 3.965 -7.788 1.00 0.00 C ATOM 1071 O LEU A 72 -8.875 5.113 -7.701 1.00 0.00 O ATOM 1072 CB LEU A 72 -7.598 2.266 -8.566 1.00 0.00 C ATOM 1073 CG LEU A 72 -6.385 3.122 -8.056 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -5.281 2.229 -7.442 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -5.814 4.024 -9.180 1.00 0.00 C ATOM 0 H LEU A 72 -8.523 4.747 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.697 2.273 -9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.839 1.534 -7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.269 1.708 -9.443 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.759 3.775 -7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.456 2.854 -7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.690 1.673 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.918 1.530 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.976 4.602 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.473 3.402 -10.008 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.591 4.703 -9.532 1.00 0.00 H new ATOM 1087 N LYS A 73 -10.234 3.472 -6.925 1.00 0.00 N ATOM 1088 CA LYS A 73 -10.586 4.122 -5.649 1.00 0.00 C ATOM 1089 C LYS A 73 -10.979 3.039 -4.610 1.00 0.00 C ATOM 1090 O LYS A 73 -12.146 2.665 -4.479 1.00 0.00 O ATOM 1091 CB LYS A 73 -11.671 5.254 -5.822 1.00 0.00 C ATOM 1092 CG LYS A 73 -12.669 5.103 -7.013 1.00 0.00 C ATOM 1093 CD LYS A 73 -13.668 3.943 -6.834 1.00 0.00 C ATOM 1094 CE LYS A 73 -14.534 3.678 -8.074 1.00 0.00 C ATOM 1095 NZ LYS A 73 -15.438 2.523 -7.852 1.00 0.00 N ATOM 0 H LYS A 73 -10.743 2.604 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.710 4.647 -5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.250 5.312 -4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.152 6.206 -5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.223 6.034 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.104 4.947 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.117 3.036 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.319 4.163 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.122 4.565 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.894 3.484 -8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.013 2.363 -8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.873 1.673 -7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.063 2.721 -7.045 1.00 0.00 H new ATOM 1109 N ALA A 74 -9.939 2.507 -3.934 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.042 1.448 -2.896 1.00 0.00 C ATOM 1111 C ALA A 74 -10.422 0.052 -3.464 1.00 0.00 C ATOM 1112 O ALA A 74 -11.391 -0.092 -4.217 1.00 0.00 O ATOM 1113 CB ALA A 74 -10.994 1.859 -1.763 1.00 0.00 C ATOM 0 H ALA A 74 -8.978 2.807 -4.096 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.038 1.345 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.044 1.061 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.625 2.769 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.989 2.039 -2.171 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.633 -0.975 -3.084 1.00 0.00 N ATOM 1120 CA GLY A 75 -9.900 -2.372 -3.477 1.00 0.00 C ATOM 1121 C GLY A 75 -9.371 -2.769 -4.871 1.00 0.00 C ATOM 1122 O GLY A 75 -9.406 -3.953 -5.231 1.00 0.00 O ATOM 0 H GLY A 75 -8.803 -0.860 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.455 -3.034 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.976 -2.542 -3.451 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.873 -1.784 -5.649 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.364 -2.010 -7.025 1.00 0.00 C ATOM 1128 C ASP A 76 -6.831 -1.774 -7.099 1.00 0.00 C ATOM 1129 O ASP A 76 -6.284 -0.934 -6.372 1.00 0.00 O ATOM 1130 CB ASP A 76 -9.117 -1.081 -8.007 1.00 0.00 C ATOM 1131 CG ASP A 76 -8.803 -1.392 -9.485 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -9.368 -2.365 -10.028 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -7.968 -0.698 -10.102 1.00 0.00 O ATOM 0 H ASP A 76 -8.811 -0.812 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.545 -3.048 -7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.190 -1.177 -7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.853 -0.045 -7.795 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.152 -2.525 -7.991 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.679 -2.474 -8.152 1.00 0.00 C ATOM 1140 C ARG A 77 -4.282 -1.839 -9.514 1.00 0.00 C ATOM 1141 O ARG A 77 -4.342 -2.494 -10.566 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.082 -3.910 -8.005 1.00 0.00 C ATOM 1143 CG ARG A 77 -4.715 -4.971 -8.941 1.00 0.00 C ATOM 1144 CD ARG A 77 -4.103 -6.374 -8.811 1.00 0.00 C ATOM 1145 NE ARG A 77 -4.457 -7.203 -9.979 1.00 0.00 N ATOM 1146 CZ ARG A 77 -4.270 -8.498 -10.101 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -3.880 -9.234 -9.108 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -4.523 -9.058 -11.236 1.00 0.00 N ATOM 0 H ARG A 77 -6.607 -3.185 -8.621 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.265 -1.840 -7.368 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.011 -3.865 -8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.205 -4.236 -6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.783 -5.032 -8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.611 -4.636 -9.973 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.019 -6.298 -8.727 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.461 -6.850 -7.898 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.889 -6.724 -10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.708 -8.811 -8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.745 -10.237 -9.238 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.861 -8.497 -12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.384 -10.062 -11.351 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.872 -0.561 -9.501 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.418 0.125 -10.735 1.00 0.00 C ATOM 1164 C TRP A 78 -2.631 1.403 -10.414 1.00 0.00 C ATOM 1165 O TRP A 78 -3.178 2.321 -9.818 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.630 0.466 -11.652 1.00 0.00 C ATOM 1167 CG TRP A 78 -4.243 1.128 -12.965 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -4.645 2.355 -13.434 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -3.350 0.597 -13.964 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -4.059 2.608 -14.650 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -3.267 1.550 -14.997 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -2.615 -0.591 -14.084 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -2.481 1.357 -16.128 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -1.836 -0.782 -15.206 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -1.775 0.189 -16.216 1.00 0.00 C ATOM 0 H TRP A 78 -3.843 0.019 -8.662 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.753 -0.560 -11.261 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.180 -0.451 -11.867 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.309 1.125 -11.110 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.322 3.022 -12.922 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -4.194 3.452 -15.206 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -2.658 -1.344 -13.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -2.430 2.102 -16.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.265 -1.693 -15.308 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -1.156 0.010 -17.083 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.341 1.445 -10.840 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.458 2.651 -10.718 1.00 0.00 C ATOM 1188 C CYS A 79 -0.431 3.223 -9.268 1.00 0.00 C ATOM 1189 O CYS A 79 -0.187 4.417 -9.052 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.911 3.727 -11.748 1.00 0.00 C ATOM 1191 SG CYS A 79 0.160 5.187 -11.862 1.00 0.00 S ATOM 0 H CYS A 79 -0.878 0.649 -11.278 1.00 0.00 H new ATOM 0 HA CYS A 79 0.566 2.350 -10.940 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.971 3.262 -12.732 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.918 4.054 -11.488 1.00 0.00 H new ATOM 0 HG CYS A 79 0.575 5.515 -10.674 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.656 2.320 -8.282 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.849 2.680 -6.862 1.00 0.00 C ATOM 1199 C LEU A 80 0.454 3.273 -6.269 1.00 0.00 C ATOM 1200 O LEU A 80 1.519 2.666 -6.377 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.352 1.415 -6.058 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.739 1.597 -4.536 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.513 1.556 -3.583 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.590 2.872 -4.330 1.00 0.00 C ATOM 0 H LEU A 80 -0.708 1.316 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.613 3.453 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.224 1.017 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.573 0.655 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.349 0.736 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.848 1.687 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.008 0.595 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.178 2.357 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.843 2.974 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.022 3.745 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.505 2.797 -4.917 1.00 0.00 H new ATOM 1216 N CYS A 81 0.351 4.476 -5.664 1.00 0.00 N ATOM 1217 CA CYS A 81 1.493 5.144 -5.004 1.00 0.00 C ATOM 1218 C CYS A 81 1.988 4.320 -3.793 1.00 0.00 C ATOM 1219 O CYS A 81 1.359 4.333 -2.723 1.00 0.00 O ATOM 1220 CB CYS A 81 1.106 6.567 -4.553 1.00 0.00 C ATOM 1221 SG CYS A 81 2.415 7.432 -3.652 1.00 0.00 S ATOM 0 H CYS A 81 -0.518 5.007 -5.619 1.00 0.00 H new ATOM 0 HA CYS A 81 2.303 5.215 -5.729 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.833 7.154 -5.430 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.220 6.509 -3.920 1.00 0.00 H new ATOM 0 HG CYS A 81 2.000 8.617 -3.316 1.00 0.00 H new ATOM 1227 N ALA A 82 3.102 3.579 -4.001 1.00 0.00 N ATOM 1228 CA ALA A 82 3.734 2.724 -2.962 1.00 0.00 C ATOM 1229 C ALA A 82 4.118 3.508 -1.685 1.00 0.00 C ATOM 1230 O ALA A 82 4.257 2.912 -0.627 1.00 0.00 O ATOM 1231 CB ALA A 82 4.960 1.991 -3.528 1.00 0.00 C ATOM 0 H ALA A 82 3.591 3.556 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 82 2.982 1.991 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.405 1.372 -2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.654 1.360 -4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.692 2.720 -3.875 1.00 0.00 H new ATOM 1237 N SER A 83 4.337 4.839 -1.812 1.00 0.00 N ATOM 1238 CA SER A 83 4.525 5.737 -0.649 1.00 0.00 C ATOM 1239 C SER A 83 3.271 5.754 0.256 1.00 0.00 C ATOM 1240 O SER A 83 3.390 5.581 1.447 1.00 0.00 O ATOM 1241 CB SER A 83 4.858 7.173 -1.103 1.00 0.00 C ATOM 1242 OG SER A 83 6.051 7.210 -1.866 1.00 0.00 O ATOM 0 H SER A 83 4.388 5.315 -2.713 1.00 0.00 H new ATOM 0 HA SER A 83 5.365 5.346 -0.074 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.033 7.570 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.962 7.817 -0.230 1.00 0.00 H new ATOM 0 HG SER A 83 6.235 8.132 -2.141 1.00 0.00 H new ATOM 1248 N ARG A 84 2.064 5.940 -0.331 1.00 0.00 N ATOM 1249 CA ARG A 84 0.783 5.962 0.443 1.00 0.00 C ATOM 1250 C ARG A 84 0.544 4.637 1.211 1.00 0.00 C ATOM 1251 O ARG A 84 0.050 4.641 2.348 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.425 6.254 -0.492 1.00 0.00 C ATOM 1253 CG ARG A 84 -0.487 7.691 -1.052 1.00 0.00 C ATOM 1254 CD ARG A 84 -0.479 8.763 0.060 1.00 0.00 C ATOM 1255 NE ARG A 84 -1.536 8.544 1.074 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.562 9.089 2.278 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -0.649 9.920 2.664 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -2.521 8.806 3.091 1.00 0.00 N ATOM 0 H ARG A 84 1.943 6.077 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 84 0.871 6.764 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.394 5.556 -1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.346 6.054 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.362 7.855 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.389 7.804 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.494 8.764 0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.611 9.747 -0.389 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.305 7.923 0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.114 10.168 2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.692 10.327 3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.259 8.162 2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.542 9.226 4.020 1.00 0.00 H new ATOM 1272 N TRP A 85 0.892 3.512 0.567 1.00 0.00 N ATOM 1273 CA TRP A 85 0.840 2.185 1.196 1.00 0.00 C ATOM 1274 C TRP A 85 1.902 2.091 2.347 1.00 0.00 C ATOM 1275 O TRP A 85 1.572 1.691 3.472 1.00 0.00 O ATOM 1276 CB TRP A 85 1.005 1.073 0.106 1.00 0.00 C ATOM 1277 CG TRP A 85 1.520 -0.231 0.652 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.646 -0.867 0.266 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.970 -1.011 1.731 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.876 -1.946 1.070 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.857 -2.067 1.960 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.168 -0.908 2.531 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.652 -3.010 2.953 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.373 -1.849 3.507 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.535 -2.885 3.714 1.00 0.00 C ATOM 0 H TRP A 85 1.216 3.497 -0.400 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.133 2.027 1.661 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.042 0.901 -0.375 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.688 1.430 -0.665 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.274 -0.566 -0.559 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.685 -2.564 1.012 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.873 -0.103 2.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.354 -3.814 3.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.255 -1.786 4.127 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.346 -3.604 4.497 1.00 0.00 H new ATOM 1296 N GLN A 86 3.170 2.418 2.030 1.00 0.00 N ATOM 1297 CA GLN A 86 4.286 2.465 3.014 1.00 0.00 C ATOM 1298 C GLN A 86 3.953 3.276 4.297 1.00 0.00 C ATOM 1299 O GLN A 86 4.202 2.817 5.420 1.00 0.00 O ATOM 1300 CB GLN A 86 5.558 3.045 2.334 1.00 0.00 C ATOM 1301 CG GLN A 86 6.845 3.015 3.197 1.00 0.00 C ATOM 1302 CD GLN A 86 7.073 1.706 3.965 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.775 0.629 3.489 1.00 0.00 O ATOM 1304 NE2 GLN A 86 7.512 1.801 5.190 1.00 0.00 N ATOM 0 H GLN A 86 3.457 2.659 1.082 1.00 0.00 H new ATOM 0 HA GLN A 86 4.459 1.439 3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.744 2.489 1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.357 4.077 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.704 3.195 2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.806 3.837 3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.758 2.713 5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.609 0.963 5.763 1.00 0.00 H new ATOM 1313 N GLU A 87 3.390 4.476 4.111 1.00 0.00 N ATOM 1314 CA GLU A 87 2.963 5.358 5.216 1.00 0.00 C ATOM 1315 C GLU A 87 1.873 4.700 6.090 1.00 0.00 C ATOM 1316 O GLU A 87 1.849 4.912 7.297 1.00 0.00 O ATOM 1317 CB GLU A 87 2.458 6.742 4.678 1.00 0.00 C ATOM 1318 CG GLU A 87 3.539 7.840 4.518 1.00 0.00 C ATOM 1319 CD GLU A 87 4.571 7.593 3.395 1.00 0.00 C ATOM 1320 OE1 GLU A 87 5.501 6.777 3.577 1.00 0.00 O ATOM 1321 OE2 GLU A 87 4.470 8.244 2.330 1.00 0.00 O ATOM 0 H GLU A 87 3.215 4.869 3.186 1.00 0.00 H new ATOM 0 HA GLU A 87 3.841 5.525 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.983 6.583 3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.687 7.113 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.042 8.791 4.329 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.073 7.942 5.463 1.00 0.00 H new ATOM 1328 N ALA A 88 0.976 3.916 5.462 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.083 3.162 6.178 1.00 0.00 C ATOM 1330 C ALA A 88 0.509 2.130 7.158 1.00 0.00 C ATOM 1331 O ALA A 88 -0.015 1.957 8.266 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.020 2.490 5.173 1.00 0.00 C ATOM 0 H ALA A 88 0.961 3.785 4.451 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.656 3.872 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.793 1.939 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.485 3.250 4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.451 1.801 4.549 1.00 0.00 H new ATOM 1338 N PHE A 89 1.606 1.460 6.745 1.00 0.00 N ATOM 1339 CA PHE A 89 2.341 0.515 7.615 1.00 0.00 C ATOM 1340 C PHE A 89 2.879 1.233 8.872 1.00 0.00 C ATOM 1341 O PHE A 89 2.644 0.800 10.006 1.00 0.00 O ATOM 1342 CB PHE A 89 3.497 -0.171 6.837 1.00 0.00 C ATOM 1343 CG PHE A 89 4.260 -1.211 7.662 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.839 -2.540 7.707 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.389 -0.857 8.413 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.517 -3.471 8.467 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.061 -1.791 9.173 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.626 -3.099 9.199 1.00 0.00 C ATOM 0 H PHE A 89 2.004 1.556 5.811 1.00 0.00 H new ATOM 0 HA PHE A 89 1.644 -0.259 7.936 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.090 -0.653 5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.196 0.592 6.494 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.972 -2.844 7.140 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.739 0.165 8.396 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.178 -4.496 8.489 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.927 -1.498 9.747 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.153 -3.832 9.792 1.00 0.00 H new ATOM 1358 N GLU A 90 3.584 2.344 8.638 1.00 0.00 N ATOM 1359 CA GLU A 90 4.225 3.147 9.698 1.00 0.00 C ATOM 1360 C GLU A 90 3.190 3.929 10.561 1.00 0.00 C ATOM 1361 O GLU A 90 3.496 4.352 11.678 1.00 0.00 O ATOM 1362 CB GLU A 90 5.249 4.098 9.034 1.00 0.00 C ATOM 1363 CG GLU A 90 6.364 3.371 8.244 1.00 0.00 C ATOM 1364 CD GLU A 90 7.378 4.332 7.607 1.00 0.00 C ATOM 1365 OE1 GLU A 90 8.246 4.862 8.336 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.307 4.581 6.384 1.00 0.00 O ATOM 0 H GLU A 90 3.730 2.719 7.701 1.00 0.00 H new ATOM 0 HA GLU A 90 4.735 2.478 10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.720 4.771 8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.708 4.716 9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.889 2.690 8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.909 2.762 7.462 1.00 0.00 H new ATOM 1373 N ALA A 91 1.967 4.113 10.023 1.00 0.00 N ATOM 1374 CA ALA A 91 0.830 4.744 10.751 1.00 0.00 C ATOM 1375 C ALA A 91 -0.002 3.710 11.557 1.00 0.00 C ATOM 1376 O ALA A 91 -0.857 4.094 12.366 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.083 5.488 9.756 1.00 0.00 C ATOM 0 H ALA A 91 1.732 3.831 9.071 1.00 0.00 H new ATOM 0 HA ALA A 91 1.254 5.449 11.466 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.912 5.947 10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.490 6.262 9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.474 4.782 9.023 1.00 0.00 H new ATOM 1383 N GLY A 92 0.245 2.407 11.311 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.524 1.316 11.946 1.00 0.00 C ATOM 1385 C GLY A 92 -1.931 1.108 11.350 1.00 0.00 C ATOM 1386 O GLY A 92 -2.740 0.347 11.894 1.00 0.00 O ATOM 0 H GLY A 92 0.974 2.084 10.675 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.039 0.387 11.853 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.620 1.526 13.011 1.00 0.00 H new ATOM 1390 N MET A 93 -2.205 1.773 10.211 1.00 0.00 N ATOM 1391 CA MET A 93 -3.507 1.711 9.496 1.00 0.00 C ATOM 1392 C MET A 93 -3.348 1.000 8.127 1.00 0.00 C ATOM 1393 O MET A 93 -4.100 1.260 7.182 1.00 0.00 O ATOM 1394 CB MET A 93 -4.042 3.155 9.303 1.00 0.00 C ATOM 1395 CG MET A 93 -4.298 3.916 10.605 1.00 0.00 C ATOM 1396 SD MET A 93 -5.601 3.177 11.617 1.00 0.00 S ATOM 1397 CE MET A 93 -7.045 3.334 10.557 1.00 0.00 C ATOM 0 H MET A 93 -1.524 2.377 9.751 1.00 0.00 H new ATOM 0 HA MET A 93 -4.218 1.134 10.087 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.326 3.717 8.703 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.970 3.112 8.734 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.375 3.954 11.184 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.569 4.945 10.370 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.948 3.187 11.149 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.062 4.328 10.110 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.001 2.582 9.769 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.358 0.098 8.056 1.00 0.00 N ATOM 1408 CA ALA A 94 -2.012 -0.671 6.842 1.00 0.00 C ATOM 1409 C ALA A 94 -3.096 -1.704 6.411 1.00 0.00 C ATOM 1410 O ALA A 94 -3.388 -2.648 7.161 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.678 -1.382 7.060 1.00 0.00 C ATOM 0 H ALA A 94 -1.762 -0.125 8.853 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.945 0.050 6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.419 -1.951 6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.099 -0.644 7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.761 -2.059 7.910 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.701 -1.537 5.190 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.559 -2.587 4.552 1.00 0.00 C ATOM 1419 C PRO A 95 -3.756 -3.864 4.132 1.00 0.00 C ATOM 1420 O PRO A 95 -2.532 -3.904 4.284 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.113 -1.846 3.301 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.104 -0.785 3.001 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.636 -0.305 4.349 1.00 0.00 C ATOM 0 HA PRO A 95 -5.324 -2.966 5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.231 -2.528 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.093 -1.413 3.501 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.276 -1.182 2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.545 0.027 2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.625 0.099 4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.278 0.484 4.741 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.430 -4.954 3.632 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.713 -6.068 2.952 1.00 0.00 C ATOM 1433 C PRO A 96 -3.147 -5.643 1.568 1.00 0.00 C ATOM 1434 O PRO A 96 -3.745 -4.821 0.859 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.804 -7.162 2.815 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.096 -6.397 2.788 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.893 -5.230 3.738 1.00 0.00 C ATOM 0 HA PRO A 96 -2.838 -6.405 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.669 -7.747 1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.773 -7.861 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.325 -6.049 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.930 -7.023 3.107 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.488 -4.365 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.182 -5.486 4.757 1.00 0.00 H new ATOM 1445 N VAL A 97 -1.984 -6.199 1.206 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.353 -5.998 -0.120 1.00 0.00 C ATOM 1447 C VAL A 97 -0.937 -7.373 -0.693 1.00 0.00 C ATOM 1448 O VAL A 97 -0.731 -8.321 0.065 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.109 -5.028 -0.020 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.988 -5.613 0.891 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.471 -4.667 -1.411 1.00 0.00 C ATOM 0 H VAL A 97 -1.445 -6.806 1.823 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.073 -5.529 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.472 -4.104 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.829 -4.921 0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.586 -5.765 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.326 -6.568 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.323 -3.999 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.793 -5.576 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.295 -4.171 -2.007 1.00 0.00 H new ATOM 1461 N VAL A 98 -0.865 -7.499 -2.026 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.336 -8.724 -2.674 1.00 0.00 C ATOM 1463 C VAL A 98 1.213 -8.671 -2.803 1.00 0.00 C ATOM 1464 O VAL A 98 1.835 -7.627 -2.594 1.00 0.00 O ATOM 1465 CB VAL A 98 -0.993 -8.965 -4.087 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.530 -9.107 -3.982 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -0.619 -7.852 -5.084 1.00 0.00 C ATOM 0 H VAL A 98 -1.163 -6.775 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.600 -9.563 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.592 -9.905 -4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.949 -9.272 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.774 -9.953 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.951 -8.196 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.090 -8.052 -6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.965 -6.891 -4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.463 -7.824 -5.209 1.00 0.00 H new ATOM 1477 N LEU A 99 1.826 -9.828 -3.098 1.00 0.00 N ATOM 1478 CA LEU A 99 3.262 -9.926 -3.480 1.00 0.00 C ATOM 1479 C LEU A 99 3.406 -10.227 -4.990 1.00 0.00 C ATOM 1480 O LEU A 99 4.429 -9.901 -5.599 1.00 0.00 O ATOM 1481 CB LEU A 99 3.960 -11.046 -2.661 1.00 0.00 C ATOM 1482 CG LEU A 99 4.177 -10.755 -1.142 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.711 -12.002 -0.410 1.00 0.00 C ATOM 1484 CD2 LEU A 99 5.120 -9.547 -0.938 1.00 0.00 C ATOM 0 H LEU A 99 1.348 -10.729 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 99 3.737 -8.969 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.370 -11.958 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.931 -11.247 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 99 3.209 -10.502 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.853 -11.771 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.994 -12.817 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.664 -12.301 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.254 -9.366 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.087 -9.759 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.685 -8.663 -1.404 1.00 0.00 H new ATOM 1496 N GLN A 100 2.371 -10.867 -5.568 1.00 0.00 N ATOM 1497 CA GLN A 100 2.386 -11.347 -6.970 1.00 0.00 C ATOM 1498 C GLN A 100 2.235 -10.177 -7.971 1.00 0.00 C ATOM 1499 O GLN A 100 3.120 -9.943 -8.801 1.00 0.00 O ATOM 1500 CB GLN A 100 1.259 -12.396 -7.178 1.00 0.00 C ATOM 1501 CG GLN A 100 1.339 -13.603 -6.223 1.00 0.00 C ATOM 1502 CD GLN A 100 0.250 -14.646 -6.467 1.00 0.00 C ATOM 1503 OE1 GLN A 100 0.419 -15.567 -7.259 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -0.880 -14.503 -5.803 1.00 0.00 N ATOM 0 H GLN A 100 1.499 -11.067 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 100 3.351 -11.816 -7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.294 -11.907 -7.048 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.298 -12.756 -8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.315 -14.077 -6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.267 -13.248 -5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.993 -13.727 -5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.641 -15.168 -5.942 1.00 0.00 H new ATOM 1513 N SER A 101 1.108 -9.446 -7.882 1.00 0.00 N ATOM 1514 CA SER A 101 0.836 -8.283 -8.769 1.00 0.00 C ATOM 1515 C SER A 101 1.626 -7.021 -8.343 1.00 0.00 C ATOM 1516 O SER A 101 1.845 -6.131 -9.161 1.00 0.00 O ATOM 1517 CB SER A 101 -0.670 -7.968 -8.814 1.00 0.00 C ATOM 1518 OG SER A 101 -0.954 -6.880 -9.680 1.00 0.00 O ATOM 0 H SER A 101 0.367 -9.635 -7.207 1.00 0.00 H new ATOM 0 HA SER A 101 1.174 -8.565 -9.766 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.216 -8.850 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.023 -7.735 -7.809 1.00 0.00 H new ATOM 0 HG SER A 101 -1.675 -7.131 -10.295 1.00 0.00 H new ATOM 1524 N THR A 102 1.995 -6.927 -7.050 1.00 0.00 N ATOM 1525 CA THR A 102 2.898 -5.854 -6.551 1.00 0.00 C ATOM 1526 C THR A 102 4.345 -6.136 -7.006 1.00 0.00 C ATOM 1527 O THR A 102 5.017 -7.040 -6.481 1.00 0.00 O ATOM 1528 CB THR A 102 2.847 -5.715 -4.990 1.00 0.00 C ATOM 1529 OG1 THR A 102 1.505 -5.444 -4.567 1.00 0.00 O ATOM 1530 CG2 THR A 102 3.766 -4.599 -4.450 1.00 0.00 C ATOM 0 H THR A 102 1.685 -7.577 -6.328 1.00 0.00 H new ATOM 0 HA THR A 102 2.552 -4.911 -6.974 1.00 0.00 H new ATOM 0 HB THR A 102 3.202 -6.663 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.210 -6.143 -3.947 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.685 -4.554 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.798 -4.811 -4.728 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.465 -3.642 -4.876 1.00 0.00 H new ATOM 1538 N GLU A 103 4.803 -5.364 -8.005 1.00 0.00 N ATOM 1539 CA GLU A 103 6.123 -5.555 -8.633 1.00 0.00 C ATOM 1540 C GLU A 103 7.259 -4.976 -7.752 1.00 0.00 C ATOM 1541 O GLU A 103 7.029 -4.122 -6.892 1.00 0.00 O ATOM 1542 CB GLU A 103 6.151 -4.935 -10.060 1.00 0.00 C ATOM 1543 CG GLU A 103 5.007 -5.396 -11.021 1.00 0.00 C ATOM 1544 CD GLU A 103 3.811 -4.410 -11.129 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.393 -3.837 -10.108 1.00 0.00 O ATOM 1546 OE2 GLU A 103 3.295 -4.190 -12.251 1.00 0.00 O ATOM 0 H GLU A 103 4.270 -4.590 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 103 6.295 -6.627 -8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.107 -3.850 -9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.108 -5.176 -10.522 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.426 -5.547 -12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.634 -6.362 -10.682 1.00 0.00 H new ATOM 1553 N LYS A 104 8.497 -5.434 -8.006 1.00 0.00 N ATOM 1554 CA LYS A 104 9.667 -5.161 -7.125 1.00 0.00 C ATOM 1555 C LYS A 104 10.170 -3.694 -7.180 1.00 0.00 C ATOM 1556 O LYS A 104 10.978 -3.284 -6.341 1.00 0.00 O ATOM 1557 CB LYS A 104 10.802 -6.185 -7.399 1.00 0.00 C ATOM 1558 CG LYS A 104 10.341 -7.667 -7.317 1.00 0.00 C ATOM 1559 CD LYS A 104 9.619 -8.015 -5.987 1.00 0.00 C ATOM 1560 CE LYS A 104 8.866 -9.363 -6.040 1.00 0.00 C ATOM 1561 NZ LYS A 104 9.767 -10.515 -6.325 1.00 0.00 N ATOM 0 H LYS A 104 8.724 -6.002 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 104 9.323 -5.292 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.217 -5.997 -8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.606 -6.024 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.672 -7.878 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.209 -8.317 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.352 -8.047 -5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.913 -7.221 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.360 -9.529 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.093 -9.313 -6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.239 -11.251 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.566 -10.195 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.126 -10.905 -5.430 1.00 0.00 H new ATOM 1575 N SER A 105 9.698 -2.916 -8.178 1.00 0.00 N ATOM 1576 CA SER A 105 9.937 -1.440 -8.243 1.00 0.00 C ATOM 1577 C SER A 105 9.308 -0.708 -7.018 1.00 0.00 C ATOM 1578 O SER A 105 9.739 0.390 -6.647 1.00 0.00 O ATOM 1579 CB SER A 105 9.401 -0.847 -9.570 1.00 0.00 C ATOM 1580 OG SER A 105 9.807 0.507 -9.755 1.00 0.00 O ATOM 0 H SER A 105 9.147 -3.278 -8.956 1.00 0.00 H new ATOM 0 HA SER A 105 11.015 -1.281 -8.210 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.757 -1.449 -10.406 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.312 -0.903 -9.578 1.00 0.00 H new ATOM 0 HG SER A 105 10.774 0.581 -9.613 1.00 0.00 H new ATOM 1586 N ALA A 106 8.257 -1.327 -6.425 1.00 0.00 N ATOM 1587 CA ALA A 106 7.632 -0.858 -5.160 1.00 0.00 C ATOM 1588 C ALA A 106 8.639 -0.763 -3.991 1.00 0.00 C ATOM 1589 O ALA A 106 8.540 0.141 -3.160 1.00 0.00 O ATOM 1590 CB ALA A 106 6.466 -1.782 -4.770 1.00 0.00 C ATOM 0 H ALA A 106 7.818 -2.164 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 106 7.262 0.150 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.016 -1.428 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.717 -1.776 -5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.837 -2.797 -4.629 1.00 0.00 H new ATOM 1596 N LEU A 107 9.632 -1.683 -3.967 1.00 0.00 N ATOM 1597 CA LEU A 107 10.680 -1.787 -2.894 1.00 0.00 C ATOM 1598 C LEU A 107 11.642 -0.562 -2.841 1.00 0.00 C ATOM 1599 O LEU A 107 12.612 -0.569 -2.079 1.00 0.00 O ATOM 1600 CB LEU A 107 11.509 -3.106 -3.058 1.00 0.00 C ATOM 1601 CG LEU A 107 10.837 -4.445 -2.589 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.533 -4.755 -3.354 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.836 -5.625 -2.693 1.00 0.00 C ATOM 0 H LEU A 107 9.739 -2.388 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 107 10.138 -1.803 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.770 -3.211 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.443 -2.987 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 107 10.560 -4.312 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.111 -5.692 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.817 -3.948 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.748 -4.844 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.350 -6.543 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.160 -5.737 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.702 -5.426 -2.061 1.00 0.00 H new ATOM 1615 N ARG A 108 11.373 0.473 -3.647 1.00 0.00 N ATOM 1616 CA ARG A 108 12.139 1.740 -3.641 1.00 0.00 C ATOM 1617 C ARG A 108 11.447 2.781 -2.728 1.00 0.00 C ATOM 1618 O ARG A 108 12.054 3.769 -2.305 1.00 0.00 O ATOM 1619 CB ARG A 108 12.268 2.266 -5.090 1.00 0.00 C ATOM 1620 CG ARG A 108 12.985 1.290 -6.053 1.00 0.00 C ATOM 1621 CD ARG A 108 13.214 1.891 -7.451 1.00 0.00 C ATOM 1622 NE ARG A 108 14.043 3.115 -7.385 1.00 0.00 N ATOM 1623 CZ ARG A 108 14.697 3.658 -8.382 1.00 0.00 C ATOM 1624 NH1 ARG A 108 14.671 3.143 -9.570 1.00 0.00 N ATOM 1625 NH2 ARG A 108 15.385 4.728 -8.180 1.00 0.00 N ATOM 0 H ARG A 108 10.614 0.461 -4.328 1.00 0.00 H new ATOM 0 HA ARG A 108 13.138 1.562 -3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.272 2.477 -5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 108 12.812 3.211 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.945 1.004 -5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.393 0.379 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.701 1.154 -8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.253 2.125 -7.910 1.00 0.00 H new ATOM 0 HE ARG A 108 14.112 3.579 -6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.132 2.295 -9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.189 3.585 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.417 5.145 -7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.897 5.158 -8.950 1.00 0.00 H new ATOM 1639 N TYR A 109 10.158 2.534 -2.457 1.00 0.00 N ATOM 1640 CA TYR A 109 9.304 3.356 -1.584 1.00 0.00 C ATOM 1641 C TYR A 109 9.070 2.594 -0.262 1.00 0.00 C ATOM 1642 O TYR A 109 9.266 3.132 0.831 1.00 0.00 O ATOM 1643 CB TYR A 109 7.956 3.629 -2.298 1.00 0.00 C ATOM 1644 CG TYR A 109 8.103 4.212 -3.716 1.00 0.00 C ATOM 1645 CD1 TYR A 109 8.388 3.385 -4.815 1.00 0.00 C ATOM 1646 CD2 TYR A 109 7.954 5.579 -3.960 1.00 0.00 C ATOM 1647 CE1 TYR A 109 8.519 3.904 -6.089 1.00 0.00 C ATOM 1648 CE2 TYR A 109 8.084 6.099 -5.231 1.00 0.00 C ATOM 1649 CZ TYR A 109 8.365 5.259 -6.291 1.00 0.00 C ATOM 1650 OH TYR A 109 8.492 5.781 -7.556 1.00 0.00 O ATOM 0 H TYR A 109 9.664 1.733 -2.850 1.00 0.00 H new ATOM 0 HA TYR A 109 9.785 4.310 -1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.393 2.698 -2.356 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.369 4.319 -1.692 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.507 2.323 -4.661 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.733 6.242 -3.137 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.741 3.252 -6.921 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.966 7.160 -5.397 1.00 0.00 H new ATOM 0 HH TYR A 109 8.353 6.751 -7.525 1.00 0.00 H new ATOM 1660 N VAL A 110 8.634 1.325 -0.401 1.00 0.00 N ATOM 1661 CA VAL A 110 8.544 0.360 0.714 1.00 0.00 C ATOM 1662 C VAL A 110 9.835 -0.480 0.825 1.00 0.00 C ATOM 1663 O VAL A 110 10.858 -0.182 0.216 1.00 0.00 O ATOM 1664 CB VAL A 110 7.330 -0.644 0.529 1.00 0.00 C ATOM 1665 CG1 VAL A 110 5.996 0.062 0.460 1.00 0.00 C ATOM 1666 CG2 VAL A 110 7.478 -1.511 -0.715 1.00 0.00 C ATOM 0 H VAL A 110 8.333 0.939 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 110 8.395 0.952 1.617 1.00 0.00 H new ATOM 0 HB VAL A 110 7.354 -1.276 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.201 -0.673 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.831 0.619 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 110 5.992 0.750 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.622 -2.180 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.526 -0.874 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.393 -2.099 -0.642 1.00 0.00 H new ATOM 1676 N SER A 111 9.761 -1.497 1.670 1.00 0.00 N ATOM 1677 CA SER A 111 10.600 -2.699 1.591 1.00 0.00 C ATOM 1678 C SER A 111 9.677 -3.915 1.421 1.00 0.00 C ATOM 1679 O SER A 111 8.465 -3.827 1.678 1.00 0.00 O ATOM 1680 CB SER A 111 11.432 -2.833 2.868 1.00 0.00 C ATOM 1681 OG SER A 111 12.295 -3.965 2.831 1.00 0.00 O ATOM 0 H SER A 111 9.104 -1.517 2.450 1.00 0.00 H new ATOM 0 HA SER A 111 11.284 -2.633 0.745 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.026 -1.930 3.009 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.766 -2.914 3.727 1.00 0.00 H new ATOM 0 HG SER A 111 12.809 -4.012 3.664 1.00 0.00 H new ATOM 1687 N LEU A 112 10.243 -5.046 0.994 1.00 0.00 N ATOM 1688 CA LEU A 112 9.504 -6.327 0.915 1.00 0.00 C ATOM 1689 C LEU A 112 8.905 -6.716 2.292 1.00 0.00 C ATOM 1690 O LEU A 112 7.838 -7.311 2.351 1.00 0.00 O ATOM 1691 CB LEU A 112 10.434 -7.437 0.334 1.00 0.00 C ATOM 1692 CG LEU A 112 9.973 -8.947 0.470 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.387 -9.796 -0.752 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.518 -9.592 1.779 1.00 0.00 C ATOM 0 H LEU A 112 11.216 -5.110 0.694 1.00 0.00 H new ATOM 0 HA LEU A 112 8.659 -6.211 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.580 -7.228 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.407 -7.341 0.815 1.00 0.00 H new ATOM 0 HG LEU A 112 8.884 -8.934 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.049 -10.823 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.932 -9.383 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.472 -9.782 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.183 -10.627 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.608 -9.563 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.145 -9.038 2.640 1.00 0.00 H new ATOM 1706 N ALA A 113 9.596 -6.336 3.384 1.00 0.00 N ATOM 1707 CA ALA A 113 9.144 -6.592 4.776 1.00 0.00 C ATOM 1708 C ALA A 113 7.742 -5.996 5.071 1.00 0.00 C ATOM 1709 O ALA A 113 6.908 -6.651 5.704 1.00 0.00 O ATOM 1710 CB ALA A 113 10.184 -6.031 5.761 1.00 0.00 C ATOM 0 H ALA A 113 10.486 -5.841 3.331 1.00 0.00 H new ATOM 0 HA ALA A 113 9.054 -7.671 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.855 -6.218 6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.144 -6.520 5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.291 -4.958 5.605 1.00 0.00 H new ATOM 1716 N ASP A 114 7.490 -4.765 4.575 1.00 0.00 N ATOM 1717 CA ASP A 114 6.210 -4.053 4.786 1.00 0.00 C ATOM 1718 C ASP A 114 5.070 -4.736 3.987 1.00 0.00 C ATOM 1719 O ASP A 114 3.917 -4.793 4.436 1.00 0.00 O ATOM 1720 CB ASP A 114 6.365 -2.576 4.355 1.00 0.00 C ATOM 1721 CG ASP A 114 7.589 -1.896 4.998 1.00 0.00 C ATOM 1722 OD1 ASP A 114 8.701 -2.036 4.462 1.00 0.00 O ATOM 1723 OD2 ASP A 114 7.454 -1.238 6.042 1.00 0.00 O ATOM 0 H ASP A 114 8.165 -4.239 4.020 1.00 0.00 H new ATOM 0 HA ASP A 114 5.950 -4.091 5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.454 -2.526 3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.464 -2.026 4.626 1.00 0.00 H new ATOM 1728 N LEU A 115 5.445 -5.282 2.811 1.00 0.00 N ATOM 1729 CA LEU A 115 4.532 -6.014 1.917 1.00 0.00 C ATOM 1730 C LEU A 115 4.083 -7.346 2.567 1.00 0.00 C ATOM 1731 O LEU A 115 2.891 -7.591 2.747 1.00 0.00 O ATOM 1732 CB LEU A 115 5.231 -6.299 0.559 1.00 0.00 C ATOM 1733 CG LEU A 115 5.776 -5.062 -0.213 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.489 -5.469 -1.505 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.670 -4.059 -0.526 1.00 0.00 C ATOM 0 H LEU A 115 6.399 -5.225 2.455 1.00 0.00 H new ATOM 0 HA LEU A 115 3.651 -5.396 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.061 -6.982 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.524 -6.820 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 115 6.501 -4.583 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.855 -4.578 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.329 -6.122 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.791 -5.998 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.091 -3.210 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.908 -4.538 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.220 -3.711 0.404 1.00 0.00 H new ATOM 1747 N GLN A 116 5.078 -8.161 2.960 1.00 0.00 N ATOM 1748 CA GLN A 116 4.875 -9.523 3.517 1.00 0.00 C ATOM 1749 C GLN A 116 4.104 -9.494 4.845 1.00 0.00 C ATOM 1750 O GLN A 116 3.287 -10.372 5.113 1.00 0.00 O ATOM 1751 CB GLN A 116 6.247 -10.202 3.730 1.00 0.00 C ATOM 1752 CG GLN A 116 7.099 -10.345 2.440 1.00 0.00 C ATOM 1753 CD GLN A 116 7.446 -11.786 2.047 1.00 0.00 C ATOM 1754 OE1 GLN A 116 7.522 -12.678 2.881 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.713 -12.007 0.776 1.00 0.00 N ATOM 0 H GLN A 116 6.061 -7.895 2.902 1.00 0.00 H new ATOM 0 HA GLN A 116 4.279 -10.089 2.801 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.813 -9.627 4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.086 -11.192 4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.561 -9.879 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.026 -9.787 2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.642 -11.246 0.100 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.990 -12.939 0.468 1.00 0.00 H new ATOM 1764 N ALA A 117 4.387 -8.466 5.660 1.00 0.00 N ATOM 1765 CA ALA A 117 3.678 -8.212 6.945 1.00 0.00 C ATOM 1766 C ALA A 117 2.129 -8.110 6.792 1.00 0.00 C ATOM 1767 O ALA A 117 1.390 -8.282 7.766 1.00 0.00 O ATOM 1768 CB ALA A 117 4.235 -6.940 7.598 1.00 0.00 C ATOM 0 H ALA A 117 5.114 -7.780 5.455 1.00 0.00 H new ATOM 0 HA ALA A 117 3.862 -9.076 7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.715 -6.756 8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.300 -7.067 7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.086 -6.092 6.929 1.00 0.00 H new ATOM 1774 N HIS A 118 1.650 -7.802 5.564 1.00 0.00 N ATOM 1775 CA HIS A 118 0.198 -7.741 5.237 1.00 0.00 C ATOM 1776 C HIS A 118 -0.139 -8.562 3.952 1.00 0.00 C ATOM 1777 O HIS A 118 -1.188 -8.353 3.329 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.244 -6.259 5.095 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.124 -5.471 6.378 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -1.132 -5.414 7.317 1.00 0.00 N ATOM 1781 CD2 HIS A 118 0.907 -4.760 6.899 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -0.730 -4.714 8.355 1.00 0.00 C ATOM 1783 NE2 HIS A 118 0.500 -4.305 8.129 1.00 0.00 N ATOM 0 H HIS A 118 2.254 -7.588 4.771 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.360 -8.197 6.055 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.361 -5.780 4.325 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.279 -6.227 4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 118 1.866 -4.585 6.434 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -1.311 -4.510 9.242 1.00 0.00 H new ATOM 0 HE2 HIS A 118 1.062 -3.740 8.766 1.00 0.00 H new ATOM 1792 N ALA A 119 0.739 -9.528 3.593 1.00 0.00 N ATOM 1793 CA ALA A 119 0.535 -10.447 2.438 1.00 0.00 C ATOM 1794 C ALA A 119 0.704 -11.933 2.844 1.00 0.00 C ATOM 1795 O ALA A 119 1.125 -12.244 3.965 1.00 0.00 O ATOM 1796 CB ALA A 119 1.518 -10.099 1.308 1.00 0.00 C ATOM 0 H ALA A 119 1.611 -9.696 4.094 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.489 -10.313 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.361 -10.776 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.350 -9.072 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.541 -10.202 1.671 1.00 0.00 H new ATOM 1802 N LEU A 120 0.354 -12.848 1.915 1.00 0.00 N ATOM 1803 CA LEU A 120 0.593 -14.306 2.081 1.00 0.00 C ATOM 1804 C LEU A 120 2.022 -14.687 1.592 1.00 0.00 C ATOM 1805 O LEU A 120 2.550 -14.041 0.678 1.00 0.00 O ATOM 1806 CB LEU A 120 -0.479 -15.116 1.290 1.00 0.00 C ATOM 1807 CG LEU A 120 -0.435 -14.996 -0.291 1.00 0.00 C ATOM 1808 CD1 LEU A 120 -0.120 -16.350 -0.970 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -1.733 -14.384 -0.856 1.00 0.00 C ATOM 0 H LEU A 120 -0.099 -12.604 1.034 1.00 0.00 H new ATOM 0 HA LEU A 120 0.515 -14.552 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.375 -16.168 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.465 -14.798 1.629 1.00 0.00 H new ATOM 0 HG LEU A 120 0.383 -14.315 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.100 -16.219 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.851 -16.710 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.889 -17.077 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.662 -14.319 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.580 -15.014 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.875 -13.386 -0.441 1.00 0.00 H new ATOM 1821 N PRO A 121 2.672 -15.744 2.181 1.00 0.00 N ATOM 1822 CA PRO A 121 3.989 -16.237 1.696 1.00 0.00 C ATOM 1823 C PRO A 121 3.861 -16.954 0.315 1.00 0.00 C ATOM 1824 O PRO A 121 3.440 -18.118 0.233 1.00 0.00 O ATOM 1825 CB PRO A 121 4.454 -17.194 2.830 1.00 0.00 C ATOM 1826 CG PRO A 121 3.177 -17.673 3.466 1.00 0.00 C ATOM 1827 CD PRO A 121 2.192 -16.521 3.357 1.00 0.00 C ATOM 0 HA PRO A 121 4.707 -15.438 1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 121 5.036 -18.026 2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 121 5.087 -16.677 3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.797 -18.559 2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 121 3.340 -17.948 4.508 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.173 -16.880 3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 121 2.188 -15.913 4.262 1.00 0.00 H new ATOM 1835 N VAL A 122 4.163 -16.211 -0.769 1.00 0.00 N ATOM 1836 CA VAL A 122 4.104 -16.732 -2.151 1.00 0.00 C ATOM 1837 C VAL A 122 5.314 -17.657 -2.458 1.00 0.00 C ATOM 1838 O VAL A 122 6.460 -17.349 -2.098 1.00 0.00 O ATOM 1839 CB VAL A 122 4.017 -15.553 -3.203 1.00 0.00 C ATOM 1840 CG1 VAL A 122 5.245 -14.602 -3.125 1.00 0.00 C ATOM 1841 CG2 VAL A 122 3.808 -16.089 -4.648 1.00 0.00 C ATOM 0 H VAL A 122 4.454 -15.235 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 122 3.196 -17.329 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 122 3.140 -14.962 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 122 5.139 -13.810 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 122 5.302 -14.162 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.156 -15.167 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 122 3.753 -15.251 -5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 122 4.644 -16.733 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.880 -16.660 -4.694 1.00 0.00 H new ATOM 1851 N LEU A 123 5.036 -18.813 -3.085 1.00 0.00 N ATOM 1852 CA LEU A 123 6.077 -19.747 -3.552 1.00 0.00 C ATOM 1853 C LEU A 123 6.476 -19.399 -5.004 1.00 0.00 C ATOM 1854 O LEU A 123 5.649 -19.497 -5.923 1.00 0.00 O ATOM 1855 CB LEU A 123 5.573 -21.208 -3.470 1.00 0.00 C ATOM 1856 CG LEU A 123 6.687 -22.299 -3.538 1.00 0.00 C ATOM 1857 CD1 LEU A 123 7.586 -22.262 -2.277 1.00 0.00 C ATOM 1858 CD2 LEU A 123 6.087 -23.700 -3.760 1.00 0.00 C ATOM 0 H LEU A 123 4.086 -19.126 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 123 6.951 -19.650 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 123 5.020 -21.333 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.869 -21.379 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 123 7.318 -22.074 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 123 8.352 -23.033 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 123 8.062 -21.284 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.977 -22.442 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 123 6.889 -24.437 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.415 -23.943 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.532 -23.714 -4.698 1.00 0.00 H new ATOM 1870 N GLU A 124 7.733 -18.975 -5.201 1.00 0.00 N ATOM 1871 CA GLU A 124 8.260 -18.622 -6.543 1.00 0.00 C ATOM 1872 C GLU A 124 8.777 -19.887 -7.288 1.00 0.00 C ATOM 1873 O GLU A 124 8.779 -20.994 -6.737 1.00 0.00 O ATOM 1874 CB GLU A 124 9.370 -17.539 -6.406 1.00 0.00 C ATOM 1875 CG GLU A 124 10.719 -18.058 -5.863 1.00 0.00 C ATOM 1876 CD GLU A 124 11.764 -16.963 -5.584 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.813 -15.953 -6.323 1.00 0.00 O ATOM 1878 OE2 GLU A 124 12.539 -17.112 -4.617 1.00 0.00 O ATOM 0 H GLU A 124 8.413 -18.865 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 124 7.452 -18.206 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.538 -17.086 -7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.008 -16.750 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.536 -18.610 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 124 11.136 -18.765 -6.580 1.00 0.00 H new ATOM 1885 N HIS A 125 9.246 -19.706 -8.540 1.00 0.00 N ATOM 1886 CA HIS A 125 9.617 -20.830 -9.442 1.00 0.00 C ATOM 1887 C HIS A 125 11.139 -21.159 -9.405 1.00 0.00 C ATOM 1888 O HIS A 125 11.718 -21.521 -10.442 1.00 0.00 O ATOM 1889 CB HIS A 125 9.135 -20.501 -10.884 1.00 0.00 C ATOM 1890 CG HIS A 125 7.635 -20.388 -10.989 1.00 0.00 C ATOM 1891 ND1 HIS A 125 6.801 -21.460 -10.777 1.00 0.00 N ATOM 1892 CD2 HIS A 125 6.820 -19.332 -11.240 1.00 0.00 C ATOM 1893 CE1 HIS A 125 5.550 -21.081 -10.885 1.00 0.00 C ATOM 1894 NE2 HIS A 125 5.530 -19.796 -11.167 1.00 0.00 N ATOM 0 H HIS A 125 9.380 -18.785 -8.957 1.00 0.00 H new ATOM 0 HA HIS A 125 9.118 -21.732 -9.087 1.00 0.00 H new ATOM 0 HB2 HIS A 125 9.589 -19.565 -11.209 1.00 0.00 H new ATOM 0 HB3 HIS A 125 9.485 -21.277 -11.565 1.00 0.00 H new ATOM 0 HD2 HIS A 125 7.128 -18.320 -11.456 1.00 0.00 H new ATOM 0 HE1 HIS A 125 4.684 -21.715 -10.763 1.00 0.00 H new ATOM 0 HE2 HIS A 125 4.690 -19.234 -11.309 1.00 0.00 H new ATOM 1903 N HIS A 126 11.746 -21.078 -8.188 1.00 0.00 N ATOM 1904 CA HIS A 126 13.163 -21.461 -7.910 1.00 0.00 C ATOM 1905 C HIS A 126 14.179 -20.612 -8.736 1.00 0.00 C ATOM 1906 O HIS A 126 14.784 -19.671 -8.216 1.00 0.00 O ATOM 1907 CB HIS A 126 13.354 -23.003 -8.116 1.00 0.00 C ATOM 1908 CG HIS A 126 14.726 -23.547 -7.798 1.00 0.00 C ATOM 1909 ND1 HIS A 126 15.099 -23.974 -6.540 1.00 0.00 N ATOM 1910 CD2 HIS A 126 15.809 -23.761 -8.590 1.00 0.00 C ATOM 1911 CE1 HIS A 126 16.337 -24.418 -6.572 1.00 0.00 C ATOM 1912 NE2 HIS A 126 16.792 -24.301 -7.801 1.00 0.00 N ATOM 0 H HIS A 126 11.258 -20.740 -7.359 1.00 0.00 H new ATOM 0 HA HIS A 126 13.379 -21.235 -6.866 1.00 0.00 H new ATOM 0 HB2 HIS A 126 12.625 -23.526 -7.497 1.00 0.00 H new ATOM 0 HB3 HIS A 126 13.121 -23.243 -9.153 1.00 0.00 H new ATOM 0 HD2 HIS A 126 15.882 -23.546 -9.646 1.00 0.00 H new ATOM 0 HE1 HIS A 126 16.887 -24.812 -5.731 1.00 0.00 H new ATOM 0 HE2 HIS A 126 17.725 -24.569 -8.116 1.00 0.00 H new ATOM 1921 N HIS A 127 14.350 -20.966 -10.024 1.00 0.00 N ATOM 1922 CA HIS A 127 15.218 -20.238 -10.981 1.00 0.00 C ATOM 1923 C HIS A 127 14.634 -20.399 -12.404 1.00 0.00 C ATOM 1924 O HIS A 127 15.232 -21.053 -13.273 1.00 0.00 O ATOM 1925 CB HIS A 127 16.688 -20.750 -10.889 1.00 0.00 C ATOM 1926 CG HIS A 127 17.696 -19.942 -11.683 1.00 0.00 C ATOM 1927 ND1 HIS A 127 17.861 -20.068 -13.048 1.00 0.00 N ATOM 1928 CD2 HIS A 127 18.568 -18.976 -11.301 1.00 0.00 C ATOM 1929 CE1 HIS A 127 18.781 -19.221 -13.464 1.00 0.00 C ATOM 1930 NE2 HIS A 127 19.224 -18.546 -12.429 1.00 0.00 N ATOM 0 H HIS A 127 13.886 -21.774 -10.438 1.00 0.00 H new ATOM 0 HA HIS A 127 15.241 -19.177 -10.733 1.00 0.00 H new ATOM 0 HB2 HIS A 127 16.991 -20.754 -9.842 1.00 0.00 H new ATOM 0 HB3 HIS A 127 16.720 -21.783 -11.234 1.00 0.00 H new ATOM 0 HD1 HIS A 127 17.349 -20.718 -13.644 1.00 0.00 H new ATOM 0 HD2 HIS A 127 18.719 -18.612 -10.295 1.00 0.00 H new ATOM 0 HE1 HIS A 127 19.114 -19.102 -14.484 1.00 0.00 H new ATOM 1939 N HIS A 128 13.422 -19.833 -12.600 1.00 0.00 N ATOM 1940 CA HIS A 128 12.657 -19.917 -13.873 1.00 0.00 C ATOM 1941 C HIS A 128 12.518 -21.405 -14.351 1.00 0.00 C ATOM 1942 O HIS A 128 12.755 -21.736 -15.520 1.00 0.00 O ATOM 1943 CB HIS A 128 13.315 -18.984 -14.947 1.00 0.00 C ATOM 1944 CG HIS A 128 12.530 -18.832 -16.232 1.00 0.00 C ATOM 1945 ND1 HIS A 128 11.281 -18.247 -16.279 1.00 0.00 N ATOM 1946 CD2 HIS A 128 12.808 -19.209 -17.511 1.00 0.00 C ATOM 1947 CE1 HIS A 128 10.826 -18.278 -17.517 1.00 0.00 C ATOM 1948 NE2 HIS A 128 11.730 -18.848 -18.285 1.00 0.00 N ATOM 0 H HIS A 128 12.940 -19.300 -11.876 1.00 0.00 H new ATOM 0 HA HIS A 128 11.640 -19.560 -13.712 1.00 0.00 H new ATOM 0 HB2 HIS A 128 13.459 -17.997 -14.509 1.00 0.00 H new ATOM 0 HB3 HIS A 128 14.304 -19.374 -15.187 1.00 0.00 H new ATOM 0 HD2 HIS A 128 13.707 -19.700 -17.853 1.00 0.00 H new ATOM 0 HE1 HIS A 128 9.870 -17.898 -17.846 1.00 0.00 H new ATOM 0 HE2 HIS A 128 11.645 -18.998 -19.290 1.00 0.00 H new ATOM 1957 N HIS A 129 12.155 -22.281 -13.386 1.00 0.00 N ATOM 1958 CA HIS A 129 12.059 -23.753 -13.556 1.00 0.00 C ATOM 1959 C HIS A 129 13.452 -24.395 -13.843 1.00 0.00 C ATOM 1960 O HIS A 129 13.935 -24.391 -14.982 1.00 0.00 O ATOM 1961 CB HIS A 129 11.011 -24.143 -14.644 1.00 0.00 C ATOM 1962 CG HIS A 129 10.715 -25.619 -14.736 1.00 0.00 C ATOM 1963 ND1 HIS A 129 9.718 -26.227 -14.008 1.00 0.00 N ATOM 1964 CD2 HIS A 129 11.279 -26.607 -15.479 1.00 0.00 C ATOM 1965 CE1 HIS A 129 9.678 -27.512 -14.296 1.00 0.00 C ATOM 1966 NE2 HIS A 129 10.612 -27.769 -15.183 1.00 0.00 N ATOM 0 H HIS A 129 11.914 -21.978 -12.442 1.00 0.00 H new ATOM 0 HA HIS A 129 11.706 -24.161 -12.609 1.00 0.00 H new ATOM 0 HB2 HIS A 129 10.081 -23.612 -14.440 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.369 -23.797 -15.614 1.00 0.00 H new ATOM 0 HD2 HIS A 129 12.099 -26.498 -16.173 1.00 0.00 H new ATOM 0 HE1 HIS A 129 8.993 -28.232 -13.874 1.00 0.00 H new ATOM 0 HE2 HIS A 129 10.810 -28.685 -15.587 1.00 0.00 H new ATOM 1975 N HIS A 130 14.085 -24.938 -12.786 1.00 0.00 N ATOM 1976 CA HIS A 130 15.340 -25.719 -12.891 1.00 0.00 C ATOM 1977 C HIS A 130 15.393 -26.798 -11.765 1.00 0.00 C ATOM 1978 O HIS A 130 15.692 -26.439 -10.603 1.00 0.00 O ATOM 1979 CB HIS A 130 16.582 -24.783 -12.832 1.00 0.00 C ATOM 1980 CG HIS A 130 17.894 -25.506 -13.030 1.00 0.00 C ATOM 1981 ND1 HIS A 130 18.523 -26.213 -12.023 1.00 0.00 N ATOM 1982 CD2 HIS A 130 18.674 -25.664 -14.129 1.00 0.00 C ATOM 1983 CE1 HIS A 130 19.623 -26.769 -12.493 1.00 0.00 C ATOM 1984 NE2 HIS A 130 19.739 -26.453 -13.762 1.00 0.00 N ATOM 1985 OXT HIS A 130 15.138 -27.990 -12.047 1.00 0.00 O ATOM 0 H HIS A 130 13.742 -24.849 -11.830 1.00 0.00 H new ATOM 0 HA HIS A 130 15.357 -26.227 -13.855 1.00 0.00 H new ATOM 0 HB2 HIS A 130 16.482 -24.012 -13.596 1.00 0.00 H new ATOM 0 HB3 HIS A 130 16.598 -24.275 -11.868 1.00 0.00 H new ATOM 0 HD2 HIS A 130 18.492 -25.248 -15.109 1.00 0.00 H new ATOM 0 HE1 HIS A 130 20.312 -27.381 -11.929 1.00 0.00 H new ATOM 0 HE2 HIS A 130 20.498 -26.746 -14.377 1.00 0.00 H new TER 1994 HIS A 130