USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 710 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 61 HIS : no HD1:sc= -6.06! C(o=-13!,f=-19!) USER MOD Set 1.2: A 67 ASN :FLIP amide:sc= -7.39! C(o=-20!,f=-13!) USER MOD Set 2.1: A 55 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.2) USER MOD Set 2.2: A 74 LYS NZ :NH3+ 162:sc= 0.035 (180deg=0) USER MOD Set 3.1: A 52 LYS NZ :NH3+ 161:sc= -0.671 (180deg=-1.79) USER MOD Set 3.2: A 53 LYS NZ :NH3+ -163:sc= -0.0527 (180deg=-0.48) USER MOD Set 4.1: A 3 GLN : amide:sc= -1.11 K(o=-0.84,f=-5.7!) USER MOD Set 4.2: A 47 SER OG : rot -44:sc= 0.269 USER MOD Set 5.1: A 1 MET N :NH3+ -157:sc= -3.45! (180deg=-5.25!) USER MOD Set 5.2: A 43 GLN : amide:sc= -0.527 K(o=-4,f=-5.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 31 GLN : amide:sc= -1.95! C(o=-2!,f=-2!) USER MOD Single : A 36 HIS : no HD1:sc=-0.00213 X(o=-0.0021,f=-0.071) USER MOD Single : A 37 GLN : amide:sc=-0.00636 K(o=-0.0064,f=-1.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.431 K(o=-0.43,f=-2.8!) USER MOD Single : A 57 TYR OH : rot 165:sc= -0.238 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 64 SER OG : rot 180:sc= -0.766 USER MOD Single : A 68 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.26) USER MOD Single : A 71 THR OG1 : rot 165:sc= -5.01! USER MOD Single : A 72 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.88) USER MOD Single : A 76 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.22) USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.0782 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-0.79) USER MOD Single : A 86 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.1!) USER MOD Single : A 87 HIS : no HE2:sc= -0.483 K(o=-0.48,f=-7.7!) USER MOD Single : A 88 HIS :FLIP no HD1:sc= -2.67! C(o=-3.8!,f=-2.7!) USER MOD Single : A 89 HIS :FLIP no HD1:sc= -1.45! C(o=-3.3!,f=-1.4!) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.829 -2.485 26.812 1.00 0.00 N ATOM 2 CA MET A 1 -11.637 -3.088 25.716 1.00 0.00 C ATOM 3 C MET A 1 -11.785 -4.582 25.964 1.00 0.00 C ATOM 4 O MET A 1 -11.575 -5.060 27.077 1.00 0.00 O ATOM 5 CB MET A 1 -10.939 -2.843 24.375 1.00 0.00 C ATOM 6 CG MET A 1 -10.980 -1.352 24.043 1.00 0.00 C ATOM 7 SD MET A 1 -10.205 -1.072 22.432 1.00 0.00 S ATOM 8 CE MET A 1 -10.158 0.735 22.514 1.00 0.00 C ATOM 0 H1 MET A 1 -11.039 -1.469 26.879 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.065 -2.948 27.713 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.817 -2.617 26.610 1.00 0.00 H new ATOM 0 HA MET A 1 -12.626 -2.630 25.690 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.906 -3.187 24.423 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.430 -3.415 23.588 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.011 -1.000 24.029 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.459 -0.782 24.813 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.708 1.129 21.603 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.172 1.121 22.615 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.565 1.045 23.374 1.00 0.00 H new ATOM 20 N GLY A 2 -12.140 -5.322 24.914 1.00 0.00 N ATOM 21 CA GLY A 2 -12.305 -6.768 25.025 1.00 0.00 C ATOM 22 C GLY A 2 -11.111 -7.495 24.432 1.00 0.00 C ATOM 23 O GLY A 2 -10.097 -7.692 25.100 1.00 0.00 O ATOM 0 H GLY A 2 -12.318 -4.945 23.983 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -12.422 -7.046 26.073 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.216 -7.075 24.510 1.00 0.00 H new ATOM 27 N GLN A 3 -11.241 -7.921 23.176 1.00 0.00 N ATOM 28 CA GLN A 3 -10.159 -8.641 22.510 1.00 0.00 C ATOM 29 C GLN A 3 -10.056 -8.218 21.050 1.00 0.00 C ATOM 30 O GLN A 3 -9.559 -8.968 20.213 1.00 0.00 O ATOM 31 CB GLN A 3 -10.403 -10.167 22.593 1.00 0.00 C ATOM 32 CG GLN A 3 -9.152 -10.871 23.132 1.00 0.00 C ATOM 33 CD GLN A 3 -9.090 -10.734 24.646 1.00 0.00 C ATOM 34 OE1 GLN A 3 -9.931 -11.290 25.347 1.00 0.00 O ATOM 35 NE2 GLN A 3 -8.147 -10.011 25.190 1.00 0.00 N ATOM 0 H GLN A 3 -12.075 -7.782 22.606 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.224 -8.399 23.015 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.254 -10.372 23.242 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.653 -10.558 21.607 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.170 -11.925 22.854 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -8.259 -10.438 22.682 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.452 -9.552 24.601 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.106 -9.905 26.204 1.00 0.00 H new ATOM 44 N ILE A 4 -10.550 -7.029 20.753 1.00 0.00 N ATOM 45 CA ILE A 4 -10.536 -6.507 19.396 1.00 0.00 C ATOM 46 C ILE A 4 -10.139 -5.040 19.375 1.00 0.00 C ATOM 47 O ILE A 4 -10.197 -4.354 20.385 1.00 0.00 O ATOM 48 CB ILE A 4 -11.915 -6.701 18.756 1.00 0.00 C ATOM 49 CG1 ILE A 4 -12.994 -6.478 19.821 1.00 0.00 C ATOM 50 CG2 ILE A 4 -12.038 -8.108 18.178 1.00 0.00 C ATOM 51 CD1 ILE A 4 -12.936 -5.042 20.339 1.00 0.00 C ATOM 0 H ILE A 4 -10.969 -6.401 21.439 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.792 -7.057 18.820 1.00 0.00 H new ATOM 0 HB ILE A 4 -12.042 -5.983 17.946 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -13.979 -6.681 19.399 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -12.851 -7.176 20.646 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -13.023 -8.231 17.727 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -11.270 -8.258 17.419 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -11.910 -8.841 18.974 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.708 -4.896 21.095 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -11.957 -4.853 20.779 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -13.102 -4.350 19.513 1.00 0.00 H new ATOM 63 N PHE A 5 -9.726 -4.566 18.208 1.00 0.00 N ATOM 64 CA PHE A 5 -9.312 -3.170 18.047 1.00 0.00 C ATOM 65 C PHE A 5 -10.348 -2.390 17.247 1.00 0.00 C ATOM 66 O PHE A 5 -11.290 -2.963 16.709 1.00 0.00 O ATOM 67 CB PHE A 5 -7.968 -3.101 17.347 1.00 0.00 C ATOM 68 CG PHE A 5 -7.458 -1.678 17.386 1.00 0.00 C ATOM 69 CD1 PHE A 5 -6.824 -1.190 18.538 1.00 0.00 C ATOM 70 CD2 PHE A 5 -7.621 -0.845 16.275 1.00 0.00 C ATOM 71 CE1 PHE A 5 -6.353 0.129 18.572 1.00 0.00 C ATOM 72 CE2 PHE A 5 -7.151 0.473 16.310 1.00 0.00 C ATOM 73 CZ PHE A 5 -6.517 0.960 17.458 1.00 0.00 C ATOM 0 H PHE A 5 -9.667 -5.124 17.356 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.226 -2.723 19.037 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.257 -3.768 17.834 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.065 -3.437 16.315 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.699 -1.831 19.398 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.111 -1.219 15.388 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.863 0.505 19.458 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.278 1.114 15.450 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.154 1.977 17.485 1.00 0.00 H new ATOM 83 N THR A 6 -10.173 -1.076 17.187 1.00 0.00 N ATOM 84 CA THR A 6 -11.108 -0.225 16.463 1.00 0.00 C ATOM 85 C THR A 6 -11.211 -0.668 15.006 1.00 0.00 C ATOM 86 O THR A 6 -10.251 -1.176 14.429 1.00 0.00 O ATOM 87 CB THR A 6 -10.634 1.231 16.515 1.00 0.00 C ATOM 88 OG1 THR A 6 -10.179 1.532 17.828 1.00 0.00 O ATOM 89 CG2 THR A 6 -11.791 2.164 16.150 1.00 0.00 C ATOM 0 H THR A 6 -9.398 -0.579 17.627 1.00 0.00 H new ATOM 0 HA THR A 6 -12.088 -0.309 16.933 1.00 0.00 H new ATOM 0 HB THR A 6 -9.820 1.372 15.804 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.874 2.463 17.863 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.450 3.199 16.188 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.140 1.934 15.143 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.608 2.025 16.858 1.00 0.00 H new ATOM 97 N VAL A 7 -12.390 -0.490 14.426 1.00 0.00 N ATOM 98 CA VAL A 7 -12.620 -0.890 13.046 1.00 0.00 C ATOM 99 C VAL A 7 -11.706 -0.120 12.104 1.00 0.00 C ATOM 100 O VAL A 7 -11.432 -0.570 10.999 1.00 0.00 O ATOM 101 CB VAL A 7 -14.082 -0.635 12.660 1.00 0.00 C ATOM 102 CG1 VAL A 7 -15.005 -1.258 13.710 1.00 0.00 C ATOM 103 CG2 VAL A 7 -14.338 0.873 12.591 1.00 0.00 C ATOM 0 H VAL A 7 -13.198 -0.073 14.888 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.401 -1.954 12.959 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.282 -1.084 11.687 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.044 -1.076 13.435 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.826 -2.332 13.761 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.804 -0.810 14.683 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.377 1.053 12.317 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.137 1.321 13.564 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.683 1.319 11.843 1.00 0.00 H new ATOM 113 N GLN A 8 -11.257 1.049 12.543 1.00 0.00 N ATOM 114 CA GLN A 8 -10.396 1.884 11.715 1.00 0.00 C ATOM 115 C GLN A 8 -9.204 1.085 11.201 1.00 0.00 C ATOM 116 O GLN A 8 -8.845 1.179 10.026 1.00 0.00 O ATOM 117 CB GLN A 8 -9.893 3.078 12.531 1.00 0.00 C ATOM 118 CG GLN A 8 -9.113 4.029 11.620 1.00 0.00 C ATOM 119 CD GLN A 8 -8.631 5.236 12.417 1.00 0.00 C ATOM 120 OE1 GLN A 8 -7.886 5.086 13.386 1.00 0.00 O ATOM 121 NE2 GLN A 8 -9.011 6.434 12.064 1.00 0.00 N ATOM 0 H GLN A 8 -11.473 1.438 13.461 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.976 2.238 10.863 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.734 3.601 12.985 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.255 2.733 13.345 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.261 3.509 11.181 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.746 4.357 10.795 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.628 6.557 11.261 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.691 7.247 12.591 1.00 0.00 H new ATOM 130 N GLU A 9 -8.599 0.298 12.080 1.00 0.00 N ATOM 131 CA GLU A 9 -7.452 -0.513 11.693 1.00 0.00 C ATOM 132 C GLU A 9 -7.876 -1.637 10.754 1.00 0.00 C ATOM 133 O GLU A 9 -7.247 -1.870 9.722 1.00 0.00 O ATOM 134 CB GLU A 9 -6.790 -1.107 12.939 1.00 0.00 C ATOM 135 CG GLU A 9 -5.384 -1.607 12.595 1.00 0.00 C ATOM 136 CD GLU A 9 -5.477 -2.864 11.736 1.00 0.00 C ATOM 137 OE1 GLU A 9 -6.447 -3.589 11.885 1.00 0.00 O ATOM 138 OE2 GLU A 9 -4.582 -3.077 10.936 1.00 0.00 O ATOM 0 H GLU A 9 -8.879 0.204 13.056 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.740 0.127 11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.735 -0.355 13.726 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.393 -1.929 13.325 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.833 -0.832 12.063 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.830 -1.821 13.509 1.00 0.00 H new ATOM 145 N LEU A 10 -8.944 -2.332 11.122 1.00 0.00 N ATOM 146 CA LEU A 10 -9.445 -3.426 10.309 1.00 0.00 C ATOM 147 C LEU A 10 -10.088 -2.901 9.033 1.00 0.00 C ATOM 148 O LEU A 10 -10.237 -3.633 8.061 1.00 0.00 O ATOM 149 CB LEU A 10 -10.467 -4.248 11.103 1.00 0.00 C ATOM 150 CG LEU A 10 -10.603 -5.653 10.479 1.00 0.00 C ATOM 151 CD1 LEU A 10 -9.539 -6.586 11.074 1.00 0.00 C ATOM 152 CD2 LEU A 10 -11.994 -6.214 10.779 1.00 0.00 C ATOM 0 H LEU A 10 -9.476 -2.157 11.974 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.603 -4.062 10.038 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.152 -4.331 12.143 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.433 -3.744 11.102 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.463 -5.583 9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.637 -7.578 10.632 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.547 -6.189 10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.677 -6.654 12.153 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.089 -7.206 10.338 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.134 -6.282 11.858 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.751 -5.555 10.355 1.00 0.00 H new ATOM 164 N LYS A 11 -10.485 -1.637 9.055 1.00 0.00 N ATOM 165 CA LYS A 11 -11.131 -1.028 7.900 1.00 0.00 C ATOM 166 C LYS A 11 -10.233 -1.114 6.674 1.00 0.00 C ATOM 167 O LYS A 11 -10.685 -1.479 5.589 1.00 0.00 O ATOM 168 CB LYS A 11 -11.447 0.436 8.196 1.00 0.00 C ATOM 169 CG LYS A 11 -12.200 1.049 7.015 1.00 0.00 C ATOM 170 CD LYS A 11 -12.748 2.433 7.409 1.00 0.00 C ATOM 171 CE LYS A 11 -14.123 2.275 8.067 1.00 0.00 C ATOM 172 NZ LYS A 11 -14.647 3.612 8.446 1.00 0.00 N ATOM 0 H LYS A 11 -10.372 -1.015 9.856 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.055 -1.570 7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.048 0.512 9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.525 0.988 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.535 1.142 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.019 0.395 6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.060 2.925 8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.827 3.068 6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.812 1.784 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.045 1.640 8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.580 3.505 8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.992 4.064 9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.736 4.204 7.595 1.00 0.00 H new ATOM 186 N GLU A 12 -8.963 -0.781 6.853 1.00 0.00 N ATOM 187 CA GLU A 12 -8.011 -0.829 5.751 1.00 0.00 C ATOM 188 C GLU A 12 -7.790 -2.265 5.288 1.00 0.00 C ATOM 189 O GLU A 12 -7.776 -2.547 4.090 1.00 0.00 O ATOM 190 CB GLU A 12 -6.675 -0.222 6.190 1.00 0.00 C ATOM 191 CG GLU A 12 -5.717 -0.174 4.998 1.00 0.00 C ATOM 192 CD GLU A 12 -4.411 0.500 5.404 1.00 0.00 C ATOM 193 OE1 GLU A 12 -4.235 0.743 6.587 1.00 0.00 O ATOM 194 OE2 GLU A 12 -3.609 0.771 4.525 1.00 0.00 O ATOM 0 H GLU A 12 -8.569 -0.477 7.743 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.420 -0.253 4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.832 0.782 6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.241 -0.816 6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.518 -1.184 4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.176 0.372 4.174 1.00 0.00 H new ATOM 201 N ARG A 13 -7.605 -3.170 6.246 1.00 0.00 N ATOM 202 CA ARG A 13 -7.372 -4.573 5.922 1.00 0.00 C ATOM 203 C ARG A 13 -8.671 -5.258 5.511 1.00 0.00 C ATOM 204 O ARG A 13 -8.656 -6.277 4.821 1.00 0.00 O ATOM 205 CB ARG A 13 -6.768 -5.292 7.130 1.00 0.00 C ATOM 206 CG ARG A 13 -6.420 -6.732 6.748 1.00 0.00 C ATOM 207 CD ARG A 13 -5.738 -7.424 7.930 1.00 0.00 C ATOM 208 NE ARG A 13 -4.446 -6.802 8.201 1.00 0.00 N ATOM 209 CZ ARG A 13 -3.404 -7.002 7.399 1.00 0.00 C ATOM 210 NH1 ARG A 13 -3.527 -7.767 6.349 1.00 0.00 N ATOM 211 NH2 ARG A 13 -2.259 -6.434 7.663 1.00 0.00 N ATOM 0 H ARG A 13 -7.612 -2.959 7.244 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.676 -4.621 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.874 -4.768 7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.474 -5.286 7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.324 -7.274 6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.762 -6.740 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.373 -7.360 8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.601 -8.483 7.711 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.340 -6.203 9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.422 -8.211 6.144 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.728 -7.921 5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.163 -5.837 8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.460 -6.587 7.048 1.00 0.00 H new ATOM 225 N ALA A 14 -9.791 -4.698 5.951 1.00 0.00 N ATOM 226 CA ALA A 14 -11.096 -5.266 5.636 1.00 0.00 C ATOM 227 C ALA A 14 -11.471 -4.984 4.190 1.00 0.00 C ATOM 228 O ALA A 14 -12.445 -5.533 3.677 1.00 0.00 O ATOM 229 CB ALA A 14 -12.162 -4.684 6.567 1.00 0.00 C ATOM 0 H ALA A 14 -9.822 -3.855 6.524 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.042 -6.345 5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.133 -5.115 6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.910 -4.920 7.601 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.204 -3.602 6.441 1.00 0.00 H new ATOM 235 N LYS A 15 -10.698 -4.121 3.540 1.00 0.00 N ATOM 236 CA LYS A 15 -10.963 -3.772 2.150 1.00 0.00 C ATOM 237 C LYS A 15 -10.832 -4.993 1.256 1.00 0.00 C ATOM 238 O LYS A 15 -11.688 -5.232 0.405 1.00 0.00 O ATOM 239 CB LYS A 15 -9.984 -2.696 1.680 1.00 0.00 C ATOM 240 CG LYS A 15 -10.343 -2.258 0.260 1.00 0.00 C ATOM 241 CD LYS A 15 -9.405 -1.131 -0.176 1.00 0.00 C ATOM 242 CE LYS A 15 -9.772 -0.684 -1.590 1.00 0.00 C ATOM 243 NZ LYS A 15 -8.865 0.419 -2.017 1.00 0.00 N ATOM 0 H LYS A 15 -9.889 -3.654 3.950 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.982 -3.391 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.018 -1.840 2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.965 -3.082 1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.259 -3.102 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.378 -1.919 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.482 -0.291 0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.370 -1.473 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.690 -1.524 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.808 -0.348 -1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.116 0.722 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.964 1.222 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.881 0.083 -2.006 1.00 0.00 H new ATOM 257 N VAL A 16 -9.761 -5.766 1.458 1.00 0.00 N ATOM 258 CA VAL A 16 -9.525 -6.974 0.662 1.00 0.00 C ATOM 259 C VAL A 16 -10.015 -6.781 -0.770 1.00 0.00 C ATOM 260 O VAL A 16 -10.016 -5.666 -1.288 1.00 0.00 O ATOM 261 CB VAL A 16 -10.239 -8.171 1.302 1.00 0.00 C ATOM 262 CG1 VAL A 16 -9.702 -8.388 2.717 1.00 0.00 C ATOM 263 CG2 VAL A 16 -11.749 -7.905 1.365 1.00 0.00 C ATOM 0 H VAL A 16 -9.047 -5.578 2.162 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.452 -7.167 0.637 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.056 -9.061 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.209 -9.239 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.631 -8.585 2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.883 -7.495 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.250 -8.759 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.937 -7.013 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.134 -7.754 0.357 1.00 0.00 H new ATOM 273 N PHE A 17 -10.470 -7.865 -1.391 1.00 0.00 N ATOM 274 CA PHE A 17 -10.994 -7.799 -2.751 1.00 0.00 C ATOM 275 C PHE A 17 -12.522 -7.811 -2.740 1.00 0.00 C ATOM 276 O PHE A 17 -13.146 -8.429 -1.876 1.00 0.00 O ATOM 277 CB PHE A 17 -10.479 -8.986 -3.558 1.00 0.00 C ATOM 278 CG PHE A 17 -8.982 -8.866 -3.723 1.00 0.00 C ATOM 279 CD1 PHE A 17 -8.453 -7.995 -4.682 1.00 0.00 C ATOM 280 CD2 PHE A 17 -8.125 -9.627 -2.918 1.00 0.00 C ATOM 281 CE1 PHE A 17 -7.065 -7.883 -4.835 1.00 0.00 C ATOM 282 CE2 PHE A 17 -6.739 -9.515 -3.072 1.00 0.00 C ATOM 283 CZ PHE A 17 -6.209 -8.645 -4.031 1.00 0.00 C ATOM 0 H PHE A 17 -10.487 -8.797 -0.976 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.655 -6.870 -3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.727 -9.919 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.963 -9.014 -4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.114 -7.410 -5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.534 -10.300 -2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.655 -7.209 -5.573 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.078 -10.100 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.139 -8.561 -4.151 1.00 0.00 H new ATOM 293 N ALA A 18 -13.117 -7.119 -3.705 1.00 0.00 N ATOM 294 CA ALA A 18 -14.569 -7.053 -3.801 1.00 0.00 C ATOM 295 C ALA A 18 -15.177 -6.745 -2.443 1.00 0.00 C ATOM 296 O ALA A 18 -14.472 -6.372 -1.504 1.00 0.00 O ATOM 297 CB ALA A 18 -15.123 -8.383 -4.314 1.00 0.00 C ATOM 0 H ALA A 18 -12.619 -6.599 -4.428 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.831 -6.257 -4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -16.209 -8.323 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.709 -8.594 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.846 -9.182 -3.626 1.00 0.00 H new ATOM 303 N LYS A 19 -16.496 -6.890 -2.345 1.00 0.00 N ATOM 304 CA LYS A 19 -17.192 -6.612 -1.101 1.00 0.00 C ATOM 305 C LYS A 19 -17.291 -7.872 -0.248 1.00 0.00 C ATOM 306 O LYS A 19 -17.166 -8.985 -0.757 1.00 0.00 O ATOM 307 CB LYS A 19 -18.605 -6.067 -1.390 1.00 0.00 C ATOM 308 CG LYS A 19 -18.585 -5.272 -2.696 1.00 0.00 C ATOM 309 CD LYS A 19 -17.594 -4.102 -2.577 1.00 0.00 C ATOM 310 CE LYS A 19 -18.011 -3.183 -1.417 1.00 0.00 C ATOM 311 NZ LYS A 19 -17.544 -1.802 -1.690 1.00 0.00 N ATOM 0 H LYS A 19 -17.097 -7.197 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.624 -5.860 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.316 -6.890 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.936 -5.431 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.298 -5.921 -3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.583 -4.894 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.587 -4.482 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.569 -3.538 -3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.095 -3.196 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.585 -3.544 -0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.825 -1.179 -0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.508 -1.798 -1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.971 -1.460 -2.574 1.00 0.00 H new ATOM 325 N PRO A 20 -17.531 -7.719 1.029 1.00 0.00 N ATOM 326 CA PRO A 20 -17.666 -8.874 1.963 1.00 0.00 C ATOM 327 C PRO A 20 -18.769 -9.836 1.535 1.00 0.00 C ATOM 328 O PRO A 20 -19.804 -9.421 1.011 1.00 0.00 O ATOM 329 CB PRO A 20 -18.009 -8.214 3.314 1.00 0.00 C ATOM 330 CG PRO A 20 -17.551 -6.798 3.193 1.00 0.00 C ATOM 331 CD PRO A 20 -17.701 -6.432 1.731 1.00 0.00 C ATOM 0 HA PRO A 20 -16.760 -9.479 1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.079 -8.265 3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.505 -8.720 4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.149 -6.140 3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.515 -6.694 3.517 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -18.676 -5.990 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.951 -5.705 1.421 1.00 0.00 H new ATOM 339 N ILE A 21 -18.542 -11.125 1.768 1.00 0.00 N ATOM 340 CA ILE A 21 -19.522 -12.141 1.409 1.00 0.00 C ATOM 341 C ILE A 21 -20.473 -12.406 2.572 1.00 0.00 C ATOM 342 O ILE A 21 -20.042 -12.560 3.714 1.00 0.00 O ATOM 343 CB ILE A 21 -18.810 -13.438 1.018 1.00 0.00 C ATOM 344 CG1 ILE A 21 -19.829 -14.423 0.428 1.00 0.00 C ATOM 345 CG2 ILE A 21 -18.154 -14.057 2.250 1.00 0.00 C ATOM 346 CD1 ILE A 21 -20.371 -13.889 -0.908 1.00 0.00 C ATOM 0 H ILE A 21 -17.693 -11.488 2.201 1.00 0.00 H new ATOM 0 HA ILE A 21 -20.101 -11.777 0.561 1.00 0.00 H new ATOM 0 HB ILE A 21 -18.043 -13.219 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -19.360 -15.395 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -20.650 -14.571 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -17.648 -14.980 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -17.428 -13.358 2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -18.917 -14.275 2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -21.093 -14.596 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -20.858 -12.927 -0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -19.547 -13.764 -1.611 1.00 0.00 H new ATOM 358 N GLY A 22 -21.767 -12.464 2.272 1.00 0.00 N ATOM 359 CA GLY A 22 -22.769 -12.713 3.300 1.00 0.00 C ATOM 360 C GLY A 22 -23.008 -11.462 4.138 1.00 0.00 C ATOM 361 O GLY A 22 -23.185 -10.368 3.599 1.00 0.00 O ATOM 0 H GLY A 22 -22.143 -12.343 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.703 -13.028 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -22.441 -13.530 3.943 1.00 0.00 H new ATOM 365 N ALA A 23 -23.015 -11.628 5.456 1.00 0.00 N ATOM 366 CA ALA A 23 -23.236 -10.503 6.356 1.00 0.00 C ATOM 367 C ALA A 23 -22.878 -10.884 7.789 1.00 0.00 C ATOM 368 O ALA A 23 -23.216 -10.171 8.734 1.00 0.00 O ATOM 369 CB ALA A 23 -24.701 -10.064 6.295 1.00 0.00 C ATOM 0 H ALA A 23 -22.871 -12.524 5.922 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.596 -9.679 6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -24.857 -9.223 6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -24.948 -9.763 5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -25.342 -10.893 6.594 1.00 0.00 H new ATOM 375 N SER A 24 -22.195 -12.014 7.943 1.00 0.00 N ATOM 376 CA SER A 24 -21.798 -12.483 9.267 1.00 0.00 C ATOM 377 C SER A 24 -20.552 -11.742 9.746 1.00 0.00 C ATOM 378 O SER A 24 -20.219 -11.772 10.930 1.00 0.00 O ATOM 379 CB SER A 24 -21.522 -13.988 9.226 1.00 0.00 C ATOM 380 OG SER A 24 -22.757 -14.690 9.221 1.00 0.00 O ATOM 0 H SER A 24 -21.906 -12.618 7.174 1.00 0.00 H new ATOM 0 HA SER A 24 -22.612 -12.285 9.964 1.00 0.00 H new ATOM 0 HB2 SER A 24 -20.944 -14.240 8.337 1.00 0.00 H new ATOM 0 HB3 SER A 24 -20.925 -14.284 10.089 1.00 0.00 H new ATOM 0 HG SER A 24 -22.585 -15.654 9.193 1.00 0.00 H new ATOM 386 N TYR A 25 -19.867 -11.086 8.817 1.00 0.00 N ATOM 387 CA TYR A 25 -18.658 -10.343 9.155 1.00 0.00 C ATOM 388 C TYR A 25 -19.010 -9.047 9.878 1.00 0.00 C ATOM 389 O TYR A 25 -18.226 -8.541 10.680 1.00 0.00 O ATOM 390 CB TYR A 25 -17.864 -10.029 7.887 1.00 0.00 C ATOM 391 CG TYR A 25 -17.366 -11.314 7.273 1.00 0.00 C ATOM 392 CD1 TYR A 25 -18.179 -12.029 6.385 1.00 0.00 C ATOM 393 CD2 TYR A 25 -16.088 -11.792 7.592 1.00 0.00 C ATOM 394 CE1 TYR A 25 -17.715 -13.221 5.816 1.00 0.00 C ATOM 395 CE2 TYR A 25 -15.625 -12.984 7.022 1.00 0.00 C ATOM 396 CZ TYR A 25 -16.437 -13.698 6.134 1.00 0.00 C ATOM 397 OH TYR A 25 -15.981 -14.873 5.573 1.00 0.00 O ATOM 0 H TYR A 25 -20.125 -11.053 7.831 1.00 0.00 H new ATOM 0 HA TYR A 25 -18.049 -10.958 9.817 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -18.492 -9.493 7.175 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -17.023 -9.377 8.124 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -19.164 -11.661 6.139 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -15.461 -11.241 8.277 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -18.343 -13.773 5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.640 -13.353 7.268 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.076 -15.061 5.898 1.00 0.00 H new ATOM 407 N GLN A 26 -20.190 -8.512 9.583 1.00 0.00 N ATOM 408 CA GLN A 26 -20.632 -7.272 10.207 1.00 0.00 C ATOM 409 C GLN A 26 -20.819 -7.464 11.709 1.00 0.00 C ATOM 410 O GLN A 26 -20.498 -6.579 12.501 1.00 0.00 O ATOM 411 CB GLN A 26 -21.952 -6.813 9.581 1.00 0.00 C ATOM 412 CG GLN A 26 -22.340 -5.445 10.146 1.00 0.00 C ATOM 413 CD GLN A 26 -23.635 -4.963 9.504 1.00 0.00 C ATOM 414 OE1 GLN A 26 -24.581 -5.739 9.355 1.00 0.00 O ATOM 415 NE2 GLN A 26 -23.737 -3.723 9.113 1.00 0.00 N ATOM 0 H GLN A 26 -20.853 -8.915 8.920 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.868 -6.512 10.042 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.851 -6.755 8.497 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.737 -7.540 9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.463 -5.511 11.227 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.542 -4.726 9.959 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -22.953 -3.083 9.237 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.601 -3.393 8.683 1.00 0.00 H new ATOM 424 N GLY A 27 -21.342 -8.623 12.092 1.00 0.00 N ATOM 425 CA GLY A 27 -21.569 -8.918 13.501 1.00 0.00 C ATOM 426 C GLY A 27 -20.264 -8.865 14.288 1.00 0.00 C ATOM 427 O GLY A 27 -20.221 -8.348 15.404 1.00 0.00 O ATOM 0 H GLY A 27 -21.615 -9.369 11.452 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -22.278 -8.202 13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.018 -9.906 13.601 1.00 0.00 H new ATOM 431 N ILE A 28 -19.202 -9.399 13.696 1.00 0.00 N ATOM 432 CA ILE A 28 -17.896 -9.405 14.345 1.00 0.00 C ATOM 433 C ILE A 28 -17.330 -7.995 14.415 1.00 0.00 C ATOM 434 O ILE A 28 -16.487 -7.698 15.260 1.00 0.00 O ATOM 435 CB ILE A 28 -16.932 -10.312 13.583 1.00 0.00 C ATOM 436 CG1 ILE A 28 -17.503 -11.731 13.536 1.00 0.00 C ATOM 437 CG2 ILE A 28 -15.577 -10.332 14.293 1.00 0.00 C ATOM 438 CD1 ILE A 28 -16.662 -12.588 12.590 1.00 0.00 C ATOM 0 H ILE A 28 -19.219 -9.831 12.772 1.00 0.00 H new ATOM 0 HA ILE A 28 -18.018 -9.786 15.359 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.803 -9.935 12.568 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -17.504 -12.167 14.535 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.539 -11.707 13.198 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -14.890 -10.980 13.748 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -15.171 -9.321 14.330 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -15.703 -10.709 15.308 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -17.069 -13.599 12.556 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -16.684 -12.155 11.590 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.633 -12.622 12.948 1.00 0.00 H new ATOM 450 N LEU A 29 -17.789 -7.130 13.516 1.00 0.00 N ATOM 451 CA LEU A 29 -17.312 -5.754 13.479 1.00 0.00 C ATOM 452 C LEU A 29 -18.184 -4.863 14.357 1.00 0.00 C ATOM 453 O LEU A 29 -17.758 -3.801 14.802 1.00 0.00 O ATOM 454 CB LEU A 29 -17.341 -5.233 12.040 1.00 0.00 C ATOM 455 CG LEU A 29 -16.465 -3.969 11.929 1.00 0.00 C ATOM 456 CD1 LEU A 29 -15.018 -4.367 11.618 1.00 0.00 C ATOM 457 CD2 LEU A 29 -16.996 -3.069 10.812 1.00 0.00 C ATOM 0 H LEU A 29 -18.487 -7.357 12.807 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.290 -5.732 13.856 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.977 -6.001 11.357 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -18.365 -5.005 11.746 1.00 0.00 H new ATOM 0 HG LEU A 29 -16.497 -3.429 12.875 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.403 -3.471 11.540 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.635 -5.002 12.417 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.985 -4.912 10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -16.374 -2.177 10.737 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -16.971 -3.610 9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -18.022 -2.778 11.036 1.00 0.00 H new ATOM 469 N ASP A 30 -19.406 -5.303 14.606 1.00 0.00 N ATOM 470 CA ASP A 30 -20.325 -4.543 15.442 1.00 0.00 C ATOM 471 C ASP A 30 -19.795 -4.431 16.868 1.00 0.00 C ATOM 472 O ASP A 30 -19.966 -3.409 17.522 1.00 0.00 O ATOM 473 CB ASP A 30 -21.697 -5.216 15.460 1.00 0.00 C ATOM 474 CG ASP A 30 -22.691 -4.356 16.236 1.00 0.00 C ATOM 475 OD1 ASP A 30 -22.264 -3.380 16.830 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.865 -4.688 16.224 1.00 0.00 O ATOM 0 H ASP A 30 -19.785 -6.178 14.244 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.416 -3.541 15.022 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.051 -5.365 14.440 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.621 -6.202 15.918 1.00 0.00 H new ATOM 481 N GLN A 31 -19.166 -5.498 17.347 1.00 0.00 N ATOM 482 CA GLN A 31 -18.632 -5.515 18.706 1.00 0.00 C ATOM 483 C GLN A 31 -17.544 -4.467 18.880 1.00 0.00 C ATOM 484 O GLN A 31 -17.392 -3.896 19.956 1.00 0.00 O ATOM 485 CB GLN A 31 -18.069 -6.903 19.032 1.00 0.00 C ATOM 486 CG GLN A 31 -19.221 -7.880 19.267 1.00 0.00 C ATOM 487 CD GLN A 31 -18.673 -9.284 19.511 1.00 0.00 C ATOM 488 OE1 GLN A 31 -18.054 -9.872 18.624 1.00 0.00 O ATOM 489 NE2 GLN A 31 -18.859 -9.857 20.669 1.00 0.00 N ATOM 0 H GLN A 31 -19.013 -6.358 16.820 1.00 0.00 H new ATOM 0 HA GLN A 31 -19.447 -5.282 19.392 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -17.442 -7.254 18.212 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.436 -6.851 19.918 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -19.813 -7.558 20.124 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -19.886 -7.885 18.404 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -19.372 -9.369 21.403 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.491 -10.793 20.840 1.00 0.00 H new ATOM 498 N LEU A 32 -16.796 -4.216 17.818 1.00 0.00 N ATOM 499 CA LEU A 32 -15.722 -3.233 17.868 1.00 0.00 C ATOM 500 C LEU A 32 -16.282 -1.860 18.207 1.00 0.00 C ATOM 501 O LEU A 32 -15.649 -1.082 18.908 1.00 0.00 O ATOM 502 CB LEU A 32 -14.988 -3.184 16.518 1.00 0.00 C ATOM 503 CG LEU A 32 -13.908 -4.265 16.473 1.00 0.00 C ATOM 504 CD1 LEU A 32 -14.545 -5.644 16.620 1.00 0.00 C ATOM 505 CD2 LEU A 32 -13.163 -4.185 15.140 1.00 0.00 C ATOM 0 H LEU A 32 -16.910 -4.676 16.915 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.015 -3.525 18.644 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.697 -3.332 15.703 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.538 -2.202 16.374 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.208 -4.106 17.293 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.769 -6.409 16.587 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.071 -5.702 17.573 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.250 -5.808 15.805 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.393 -4.955 15.107 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.865 -4.339 14.321 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.699 -3.204 15.041 1.00 0.00 H new ATOM 517 N ASP A 33 -17.464 -1.566 17.698 1.00 0.00 N ATOM 518 CA ASP A 33 -18.098 -0.282 17.970 1.00 0.00 C ATOM 519 C ASP A 33 -18.542 -0.200 19.429 1.00 0.00 C ATOM 520 O ASP A 33 -18.309 0.800 20.109 1.00 0.00 O ATOM 521 CB ASP A 33 -19.304 -0.089 17.053 1.00 0.00 C ATOM 522 CG ASP A 33 -19.970 1.254 17.337 1.00 0.00 C ATOM 523 OD1 ASP A 33 -19.555 1.915 18.274 1.00 0.00 O ATOM 524 OD2 ASP A 33 -20.888 1.600 16.614 1.00 0.00 O ATOM 0 H ASP A 33 -18.004 -2.190 17.099 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.371 0.508 17.780 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.989 -0.134 16.011 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -20.019 -0.898 17.205 1.00 0.00 H new ATOM 529 N LEU A 34 -19.216 -1.247 19.892 1.00 0.00 N ATOM 530 CA LEU A 34 -19.713 -1.275 21.262 1.00 0.00 C ATOM 531 C LEU A 34 -18.583 -1.275 22.267 1.00 0.00 C ATOM 532 O LEU A 34 -18.637 -0.561 23.271 1.00 0.00 O ATOM 533 CB LEU A 34 -20.594 -2.524 21.467 1.00 0.00 C ATOM 534 CG LEU A 34 -22.022 -2.247 20.965 1.00 0.00 C ATOM 535 CD1 LEU A 34 -22.735 -1.260 21.916 1.00 0.00 C ATOM 536 CD2 LEU A 34 -21.965 -1.652 19.547 1.00 0.00 C ATOM 0 H LEU A 34 -19.429 -2.081 19.344 1.00 0.00 H new ATOM 0 HA LEU A 34 -20.303 -0.373 21.424 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.169 -3.372 20.930 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.617 -2.794 22.523 1.00 0.00 H new ATOM 0 HG LEU A 34 -22.580 -3.183 20.943 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -23.745 -1.070 21.553 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -22.784 -1.690 22.916 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -22.180 -0.323 21.951 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -22.977 -1.457 19.193 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.401 -0.719 19.566 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.476 -2.358 18.876 1.00 0.00 H new ATOM 548 N VAL A 35 -17.581 -2.094 22.011 1.00 0.00 N ATOM 549 CA VAL A 35 -16.457 -2.195 22.930 1.00 0.00 C ATOM 550 C VAL A 35 -15.987 -0.805 23.359 1.00 0.00 C ATOM 551 O VAL A 35 -15.372 -0.644 24.413 1.00 0.00 O ATOM 552 CB VAL A 35 -15.302 -2.956 22.249 1.00 0.00 C ATOM 553 CG1 VAL A 35 -14.387 -1.969 21.495 1.00 0.00 C ATOM 554 CG2 VAL A 35 -14.481 -3.708 23.305 1.00 0.00 C ATOM 0 H VAL A 35 -17.519 -2.692 21.187 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.776 -2.739 23.819 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.722 -3.669 21.539 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.575 -2.518 21.018 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.966 -1.444 20.735 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.973 -1.247 22.199 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.666 -4.244 22.818 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.070 -2.996 24.021 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.122 -4.419 23.826 1.00 0.00 H new ATOM 564 N HIS A 36 -16.262 0.185 22.517 1.00 0.00 N ATOM 565 CA HIS A 36 -15.851 1.550 22.804 1.00 0.00 C ATOM 566 C HIS A 36 -16.775 2.162 23.847 1.00 0.00 C ATOM 567 O HIS A 36 -16.342 2.942 24.693 1.00 0.00 O ATOM 568 CB HIS A 36 -15.886 2.392 21.527 1.00 0.00 C ATOM 569 CG HIS A 36 -15.269 3.736 21.798 1.00 0.00 C ATOM 570 ND1 HIS A 36 -13.944 3.877 22.183 1.00 0.00 N ATOM 571 CD2 HIS A 36 -15.781 5.008 21.745 1.00 0.00 C ATOM 572 CE1 HIS A 36 -13.706 5.192 22.344 1.00 0.00 C ATOM 573 NE2 HIS A 36 -14.793 5.926 22.090 1.00 0.00 N ATOM 0 H HIS A 36 -16.764 0.067 21.637 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.832 1.535 23.191 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -15.344 1.885 20.729 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.914 2.514 21.186 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -16.797 5.259 21.476 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.753 5.603 22.642 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.880 6.941 22.138 1.00 0.00 H new ATOM 581 N GLN A 37 -18.052 1.792 23.788 1.00 0.00 N ATOM 582 CA GLN A 37 -19.030 2.305 24.742 1.00 0.00 C ATOM 583 C GLN A 37 -18.985 1.491 26.032 1.00 0.00 C ATOM 584 O GLN A 37 -19.449 1.946 27.081 1.00 0.00 O ATOM 585 CB GLN A 37 -20.436 2.230 24.141 1.00 0.00 C ATOM 586 CG GLN A 37 -21.444 2.831 25.123 1.00 0.00 C ATOM 587 CD GLN A 37 -22.819 2.914 24.472 1.00 0.00 C ATOM 588 OE1 GLN A 37 -22.933 2.853 23.248 1.00 0.00 O ATOM 589 NE2 GLN A 37 -23.879 3.048 25.223 1.00 0.00 N ATOM 0 H GLN A 37 -18.431 1.145 23.096 1.00 0.00 H new ATOM 0 HA GLN A 37 -18.787 3.344 24.965 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -20.468 2.770 23.195 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -20.696 1.194 23.925 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -21.495 2.220 26.024 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -21.117 3.825 25.430 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -23.782 3.098 26.237 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -24.803 3.102 24.795 1.00 0.00 H new ATOM 598 N ALA A 38 -18.418 0.287 25.955 1.00 0.00 N ATOM 599 CA ALA A 38 -18.324 -0.571 27.127 1.00 0.00 C ATOM 600 C ALA A 38 -17.330 0.001 28.127 1.00 0.00 C ATOM 601 O ALA A 38 -16.283 0.523 27.747 1.00 0.00 O ATOM 602 CB ALA A 38 -17.868 -1.971 26.707 1.00 0.00 C ATOM 0 H ALA A 38 -18.022 -0.109 25.102 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.307 -0.628 27.595 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.799 -2.610 27.587 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.589 -2.394 26.007 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.891 -1.907 26.227 1.00 0.00 H new ATOM 608 N LYS A 39 -17.665 -0.100 29.412 1.00 0.00 N ATOM 609 CA LYS A 39 -16.800 0.414 30.472 1.00 0.00 C ATOM 610 C LYS A 39 -16.837 -0.494 31.688 1.00 0.00 C ATOM 611 O LYS A 39 -17.858 -1.105 31.989 1.00 0.00 O ATOM 612 CB LYS A 39 -17.250 1.824 30.875 1.00 0.00 C ATOM 613 CG LYS A 39 -16.906 2.834 29.771 1.00 0.00 C ATOM 614 CD LYS A 39 -15.395 3.098 29.762 1.00 0.00 C ATOM 615 CE LYS A 39 -15.092 4.285 28.859 1.00 0.00 C ATOM 616 NZ LYS A 39 -13.645 4.623 28.965 1.00 0.00 N ATOM 0 H LYS A 39 -18.527 -0.532 29.744 1.00 0.00 H new ATOM 0 HA LYS A 39 -15.779 0.448 30.092 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -18.324 1.830 31.060 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.764 2.115 31.806 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.223 2.449 28.802 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -17.446 3.766 29.937 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.044 3.299 30.774 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.863 2.214 29.410 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.348 4.047 27.827 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.700 5.142 29.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.432 5.434 28.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.417 4.866 29.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.075 3.805 28.669 1.00 0.00 H new ATOM 630 N GLY A 40 -15.702 -0.585 32.378 1.00 0.00 N ATOM 631 CA GLY A 40 -15.605 -1.434 33.558 1.00 0.00 C ATOM 632 C GLY A 40 -15.617 -2.910 33.174 1.00 0.00 C ATOM 633 O GLY A 40 -14.834 -3.351 32.334 1.00 0.00 O ATOM 0 H GLY A 40 -14.845 -0.085 32.141 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.689 -1.204 34.101 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.436 -1.223 34.231 1.00 0.00 H new ATOM 637 N ARG A 41 -16.511 -3.670 33.797 1.00 0.00 N ATOM 638 CA ARG A 41 -16.617 -5.095 33.512 1.00 0.00 C ATOM 639 C ARG A 41 -17.135 -5.325 32.096 1.00 0.00 C ATOM 640 O ARG A 41 -16.975 -6.408 31.534 1.00 0.00 O ATOM 641 CB ARG A 41 -17.563 -5.758 34.520 1.00 0.00 C ATOM 642 CG ARG A 41 -18.964 -5.152 34.387 1.00 0.00 C ATOM 643 CD ARG A 41 -19.901 -5.807 35.397 1.00 0.00 C ATOM 644 NE ARG A 41 -21.241 -5.239 35.282 1.00 0.00 N ATOM 645 CZ ARG A 41 -22.116 -5.714 34.401 1.00 0.00 C ATOM 646 NH1 ARG A 41 -21.781 -6.703 33.619 1.00 0.00 N ATOM 647 NH2 ARG A 41 -23.308 -5.189 34.318 1.00 0.00 N ATOM 0 H ARG A 41 -17.168 -3.326 34.497 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.625 -5.538 33.597 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.603 -6.833 34.344 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.189 -5.615 35.534 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -18.924 -4.076 34.557 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.341 -5.301 33.375 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.938 -6.883 35.226 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -19.520 -5.658 36.407 1.00 0.00 H new ATOM 0 HE ARG A 41 -21.511 -4.464 35.888 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.848 -7.111 33.684 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -22.452 -7.068 32.943 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -23.568 -4.415 34.929 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -23.980 -5.553 33.642 1.00 0.00 H new ATOM 661 N ASP A 42 -17.772 -4.303 31.533 1.00 0.00 N ATOM 662 CA ASP A 42 -18.326 -4.408 30.188 1.00 0.00 C ATOM 663 C ASP A 42 -17.214 -4.620 29.167 1.00 0.00 C ATOM 664 O ASP A 42 -17.365 -5.397 28.223 1.00 0.00 O ATOM 665 CB ASP A 42 -19.106 -3.141 29.847 1.00 0.00 C ATOM 666 CG ASP A 42 -19.874 -3.337 28.544 1.00 0.00 C ATOM 667 OD1 ASP A 42 -19.671 -4.358 27.907 1.00 0.00 O ATOM 668 OD2 ASP A 42 -20.655 -2.464 28.201 1.00 0.00 O ATOM 0 H ASP A 42 -17.917 -3.399 31.983 1.00 0.00 H new ATOM 0 HA ASP A 42 -18.998 -5.265 30.155 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -19.798 -2.902 30.654 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.422 -2.297 29.753 1.00 0.00 H new ATOM 673 N GLN A 43 -16.092 -3.937 29.369 1.00 0.00 N ATOM 674 CA GLN A 43 -14.954 -4.070 28.465 1.00 0.00 C ATOM 675 C GLN A 43 -14.361 -5.474 28.547 1.00 0.00 C ATOM 676 O GLN A 43 -13.996 -6.067 27.534 1.00 0.00 O ATOM 677 CB GLN A 43 -13.881 -3.037 28.813 1.00 0.00 C ATOM 678 CG GLN A 43 -14.329 -1.654 28.340 1.00 0.00 C ATOM 679 CD GLN A 43 -13.260 -0.619 28.670 1.00 0.00 C ATOM 680 OE1 GLN A 43 -12.219 -0.959 29.230 1.00 0.00 O ATOM 681 NE2 GLN A 43 -13.447 0.628 28.337 1.00 0.00 N ATOM 0 H GLN A 43 -15.946 -3.290 30.144 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.305 -3.897 27.448 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.708 -3.026 29.889 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.936 -3.306 28.341 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.512 -1.670 27.266 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.269 -1.383 28.820 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.311 0.908 27.873 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.729 1.323 28.541 1.00 0.00 H new ATOM 690 N ILE A 44 -14.278 -5.998 29.759 1.00 0.00 N ATOM 691 CA ILE A 44 -13.736 -7.336 29.974 1.00 0.00 C ATOM 692 C ILE A 44 -14.625 -8.377 29.300 1.00 0.00 C ATOM 693 O ILE A 44 -14.135 -9.321 28.684 1.00 0.00 O ATOM 694 CB ILE A 44 -13.626 -7.635 31.472 1.00 0.00 C ATOM 695 CG1 ILE A 44 -12.546 -6.743 32.089 1.00 0.00 C ATOM 696 CG2 ILE A 44 -13.252 -9.106 31.678 1.00 0.00 C ATOM 697 CD1 ILE A 44 -12.600 -6.857 33.614 1.00 0.00 C ATOM 0 H ILE A 44 -14.577 -5.521 30.609 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.740 -7.380 29.534 1.00 0.00 H new ATOM 0 HB ILE A 44 -14.584 -7.436 31.953 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.562 -7.041 31.726 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.698 -5.707 31.785 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -13.174 -9.316 32.745 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.020 -9.742 31.238 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -12.295 -9.309 31.198 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.831 -6.222 34.054 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.580 -6.538 33.968 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.427 -7.892 33.908 1.00 0.00 H new ATOM 709 N ALA A 45 -15.935 -8.206 29.433 1.00 0.00 N ATOM 710 CA ALA A 45 -16.882 -9.146 28.841 1.00 0.00 C ATOM 711 C ALA A 45 -16.553 -9.373 27.367 1.00 0.00 C ATOM 712 O ALA A 45 -16.505 -10.511 26.904 1.00 0.00 O ATOM 713 CB ALA A 45 -18.304 -8.596 28.967 1.00 0.00 C ATOM 0 H ALA A 45 -16.364 -7.432 29.941 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.809 -10.096 29.371 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.007 -9.301 28.524 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.547 -8.454 30.020 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -18.372 -7.640 28.447 1.00 0.00 H new ATOM 719 N ALA A 46 -16.307 -8.286 26.645 1.00 0.00 N ATOM 720 CA ALA A 46 -15.961 -8.374 25.231 1.00 0.00 C ATOM 721 C ALA A 46 -14.660 -9.148 25.053 1.00 0.00 C ATOM 722 O ALA A 46 -14.387 -9.685 23.980 1.00 0.00 O ATOM 723 CB ALA A 46 -15.832 -6.972 24.633 1.00 0.00 C ATOM 0 H ALA A 46 -16.340 -7.336 27.014 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.755 -8.906 24.707 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.573 -7.049 23.577 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.780 -6.444 24.737 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.051 -6.423 25.159 1.00 0.00 H new ATOM 729 N SER A 47 -13.853 -9.187 26.109 1.00 0.00 N ATOM 730 CA SER A 47 -12.577 -9.887 26.051 1.00 0.00 C ATOM 731 C SER A 47 -12.779 -11.385 25.868 1.00 0.00 C ATOM 732 O SER A 47 -12.242 -11.982 24.938 1.00 0.00 O ATOM 733 CB SER A 47 -11.776 -9.625 27.331 1.00 0.00 C ATOM 734 OG SER A 47 -10.393 -9.805 27.069 1.00 0.00 O ATOM 0 H SER A 47 -14.058 -8.747 27.006 1.00 0.00 H new ATOM 0 HA SER A 47 -12.024 -9.509 25.192 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.961 -8.612 27.687 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.099 -10.304 28.120 1.00 0.00 H new ATOM 0 HG SER A 47 -10.263 -10.620 26.541 1.00 0.00 H new ATOM 740 N PHE A 48 -13.548 -11.978 26.767 1.00 0.00 N ATOM 741 CA PHE A 48 -13.811 -13.409 26.712 1.00 0.00 C ATOM 742 C PHE A 48 -14.578 -13.772 25.452 1.00 0.00 C ATOM 743 O PHE A 48 -14.402 -14.857 24.898 1.00 0.00 O ATOM 744 CB PHE A 48 -14.605 -13.845 27.945 1.00 0.00 C ATOM 745 CG PHE A 48 -14.709 -15.353 27.970 1.00 0.00 C ATOM 746 CD1 PHE A 48 -13.610 -16.125 28.370 1.00 0.00 C ATOM 747 CD2 PHE A 48 -15.903 -15.980 27.595 1.00 0.00 C ATOM 748 CE1 PHE A 48 -13.707 -17.522 28.393 1.00 0.00 C ATOM 749 CE2 PHE A 48 -16.000 -17.376 27.618 1.00 0.00 C ATOM 750 CZ PHE A 48 -14.902 -18.147 28.019 1.00 0.00 C ATOM 0 H PHE A 48 -14.000 -11.493 27.542 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.854 -13.930 26.696 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.115 -13.489 28.851 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.600 -13.401 27.925 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.688 -15.643 28.661 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.751 -15.386 27.287 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.859 -18.117 28.699 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -16.921 -17.858 27.327 1.00 0.00 H new ATOM 0 HZ PHE A 48 -14.977 -19.224 28.040 1.00 0.00 H new ATOM 760 N GLU A 49 -15.450 -12.869 25.017 1.00 0.00 N ATOM 761 CA GLU A 49 -16.256 -13.121 23.831 1.00 0.00 C ATOM 762 C GLU A 49 -15.387 -13.274 22.594 1.00 0.00 C ATOM 763 O GLU A 49 -15.352 -14.333 21.980 1.00 0.00 O ATOM 764 CB GLU A 49 -17.241 -11.966 23.617 1.00 0.00 C ATOM 765 CG GLU A 49 -18.374 -12.055 24.640 1.00 0.00 C ATOM 766 CD GLU A 49 -19.300 -10.850 24.503 1.00 0.00 C ATOM 767 OE1 GLU A 49 -19.072 -10.051 23.610 1.00 0.00 O ATOM 768 OE2 GLU A 49 -20.224 -10.744 25.294 1.00 0.00 O ATOM 0 H GLU A 49 -15.615 -11.966 25.463 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.801 -14.052 23.988 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.724 -11.012 23.716 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.647 -12.005 22.606 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.938 -12.976 24.490 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.962 -12.094 25.648 1.00 0.00 H new ATOM 775 N LEU A 50 -14.691 -12.212 22.233 1.00 0.00 N ATOM 776 CA LEU A 50 -13.833 -12.236 21.062 1.00 0.00 C ATOM 777 C LEU A 50 -12.702 -13.233 21.224 1.00 0.00 C ATOM 778 O LEU A 50 -12.208 -13.793 20.245 1.00 0.00 O ATOM 779 CB LEU A 50 -13.272 -10.837 20.792 1.00 0.00 C ATOM 780 CG LEU A 50 -14.334 -9.984 20.080 1.00 0.00 C ATOM 781 CD1 LEU A 50 -14.558 -10.488 18.640 1.00 0.00 C ATOM 782 CD2 LEU A 50 -15.651 -10.048 20.865 1.00 0.00 C ATOM 0 H LEU A 50 -14.703 -11.323 22.733 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.436 -12.551 20.210 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.980 -10.364 21.730 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.375 -10.906 20.177 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.985 -8.952 20.034 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.313 -9.872 18.152 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.623 -10.425 18.083 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -14.896 -11.524 18.666 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.405 -9.443 20.361 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -15.992 -11.082 20.920 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.493 -9.664 21.873 1.00 0.00 H new ATOM 794 N ASN A 51 -12.268 -13.416 22.456 1.00 0.00 N ATOM 795 CA ASN A 51 -11.162 -14.318 22.729 1.00 0.00 C ATOM 796 C ASN A 51 -11.399 -15.686 22.104 1.00 0.00 C ATOM 797 O ASN A 51 -10.616 -16.141 21.272 1.00 0.00 O ATOM 798 CB ASN A 51 -10.986 -14.479 24.246 1.00 0.00 C ATOM 799 CG ASN A 51 -10.006 -15.608 24.549 1.00 0.00 C ATOM 800 OD1 ASN A 51 -10.368 -16.781 24.464 1.00 0.00 O ATOM 801 ND2 ASN A 51 -8.782 -15.323 24.893 1.00 0.00 N ATOM 0 H ASN A 51 -12.659 -12.957 23.279 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.261 -13.888 22.291 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.622 -13.547 24.678 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.949 -14.690 24.710 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.121 -16.073 25.093 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.485 -14.350 24.962 1.00 0.00 H new ATOM 808 N LYS A 52 -12.466 -16.342 22.529 1.00 0.00 N ATOM 809 CA LYS A 52 -12.785 -17.668 22.018 1.00 0.00 C ATOM 810 C LYS A 52 -13.168 -17.617 20.547 1.00 0.00 C ATOM 811 O LYS A 52 -12.848 -18.525 19.779 1.00 0.00 O ATOM 812 CB LYS A 52 -13.923 -18.284 22.834 1.00 0.00 C ATOM 813 CG LYS A 52 -15.137 -17.359 22.793 1.00 0.00 C ATOM 814 CD LYS A 52 -16.265 -17.950 23.636 1.00 0.00 C ATOM 815 CE LYS A 52 -17.338 -16.887 23.868 1.00 0.00 C ATOM 816 NZ LYS A 52 -17.587 -16.143 22.600 1.00 0.00 N ATOM 0 H LYS A 52 -13.123 -15.983 23.222 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.894 -18.289 22.113 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.185 -19.263 22.432 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.604 -18.438 23.865 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.867 -16.373 23.170 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.471 -17.227 21.764 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.697 -18.814 23.131 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.874 -18.302 24.591 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.260 -17.355 24.214 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.018 -16.197 24.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.507 -15.661 22.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.835 -15.439 22.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.593 -16.810 21.802 1.00 0.00 H new ATOM 830 N LYS A 53 -13.876 -16.560 20.166 1.00 0.00 N ATOM 831 CA LYS A 53 -14.320 -16.415 18.787 1.00 0.00 C ATOM 832 C LYS A 53 -13.131 -16.310 17.846 1.00 0.00 C ATOM 833 O LYS A 53 -13.075 -17.002 16.834 1.00 0.00 O ATOM 834 CB LYS A 53 -15.193 -15.168 18.651 1.00 0.00 C ATOM 835 CG LYS A 53 -16.525 -15.379 19.368 1.00 0.00 C ATOM 836 CD LYS A 53 -17.366 -14.103 19.276 1.00 0.00 C ATOM 837 CE LYS A 53 -18.614 -14.255 20.144 1.00 0.00 C ATOM 838 NZ LYS A 53 -19.378 -15.462 19.716 1.00 0.00 N ATOM 0 H LYS A 53 -14.152 -15.799 20.786 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.900 -17.298 18.518 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.677 -14.305 19.073 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -15.369 -14.951 17.597 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -17.063 -16.214 18.919 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.350 -15.637 20.413 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.782 -13.244 19.607 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.650 -13.915 18.241 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.331 -14.345 21.193 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.240 -13.367 20.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -20.346 -15.411 20.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -19.412 -15.501 18.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.910 -16.316 20.080 1.00 0.00 H new ATOM 852 N ILE A 54 -12.176 -15.452 18.195 1.00 0.00 N ATOM 853 CA ILE A 54 -10.991 -15.269 17.366 1.00 0.00 C ATOM 854 C ILE A 54 -10.161 -16.548 17.333 1.00 0.00 C ATOM 855 O ILE A 54 -9.699 -16.971 16.274 1.00 0.00 O ATOM 856 CB ILE A 54 -10.143 -14.118 17.919 1.00 0.00 C ATOM 857 CG1 ILE A 54 -10.903 -12.799 17.741 1.00 0.00 C ATOM 858 CG2 ILE A 54 -8.810 -14.044 17.158 1.00 0.00 C ATOM 859 CD1 ILE A 54 -10.210 -11.703 18.554 1.00 0.00 C ATOM 0 H ILE A 54 -12.199 -14.878 19.038 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.309 -15.031 16.351 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.945 -14.290 18.977 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.933 -12.522 16.687 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.936 -12.914 18.070 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.210 -13.225 17.554 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.269 -14.982 17.280 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.004 -13.873 16.099 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.748 -10.763 18.430 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.203 -11.981 19.608 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.185 -11.583 18.204 1.00 0.00 H new ATOM 871 N ASN A 55 -9.981 -17.157 18.496 1.00 0.00 N ATOM 872 CA ASN A 55 -9.211 -18.390 18.590 1.00 0.00 C ATOM 873 C ASN A 55 -9.888 -19.503 17.797 1.00 0.00 C ATOM 874 O ASN A 55 -9.224 -20.328 17.171 1.00 0.00 O ATOM 875 CB ASN A 55 -9.067 -18.811 20.054 1.00 0.00 C ATOM 876 CG ASN A 55 -8.125 -17.856 20.779 1.00 0.00 C ATOM 877 OD1 ASN A 55 -8.351 -17.526 21.943 1.00 0.00 O ATOM 878 ND2 ASN A 55 -7.073 -17.394 20.161 1.00 0.00 N ATOM 0 H ASN A 55 -10.355 -16.820 19.383 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.221 -18.211 18.170 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.043 -18.811 20.539 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.682 -19.829 20.112 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.437 -16.759 20.642 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.887 -17.668 19.196 1.00 0.00 H new ATOM 885 N ASP A 56 -11.217 -19.529 17.846 1.00 0.00 N ATOM 886 CA ASP A 56 -11.978 -20.554 17.142 1.00 0.00 C ATOM 887 C ASP A 56 -11.755 -20.447 15.638 1.00 0.00 C ATOM 888 O ASP A 56 -11.599 -21.457 14.949 1.00 0.00 O ATOM 889 CB ASP A 56 -13.468 -20.403 17.450 1.00 0.00 C ATOM 890 CG ASP A 56 -13.750 -20.828 18.888 1.00 0.00 C ATOM 891 OD1 ASP A 56 -12.875 -21.430 19.489 1.00 0.00 O ATOM 892 OD2 ASP A 56 -14.835 -20.545 19.367 1.00 0.00 O ATOM 0 H ASP A 56 -11.785 -18.857 18.362 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.635 -21.531 17.481 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.775 -19.368 17.301 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.054 -21.012 16.761 1.00 0.00 H new ATOM 897 N TYR A 57 -11.740 -19.221 15.134 1.00 0.00 N ATOM 898 CA TYR A 57 -11.533 -18.996 13.711 1.00 0.00 C ATOM 899 C TYR A 57 -10.176 -19.529 13.272 1.00 0.00 C ATOM 900 O TYR A 57 -10.033 -20.047 12.165 1.00 0.00 O ATOM 901 CB TYR A 57 -11.631 -17.493 13.397 1.00 0.00 C ATOM 902 CG TYR A 57 -13.084 -17.083 13.287 1.00 0.00 C ATOM 903 CD1 TYR A 57 -13.894 -17.644 12.289 1.00 0.00 C ATOM 904 CD2 TYR A 57 -13.622 -16.148 14.178 1.00 0.00 C ATOM 905 CE1 TYR A 57 -15.235 -17.272 12.187 1.00 0.00 C ATOM 906 CE2 TYR A 57 -14.963 -15.775 14.074 1.00 0.00 C ATOM 907 CZ TYR A 57 -15.772 -16.337 13.081 1.00 0.00 C ATOM 908 OH TYR A 57 -17.096 -15.968 12.979 1.00 0.00 O ATOM 0 H TYR A 57 -11.868 -18.372 15.685 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.308 -19.530 13.162 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.140 -16.916 14.181 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -11.110 -17.273 12.465 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.480 -18.364 11.599 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -12.999 -15.715 14.947 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -15.859 -17.705 11.419 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.376 -15.052 14.761 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.371 -15.505 13.798 1.00 0.00 H new ATOM 918 N ILE A 58 -9.185 -19.389 14.138 1.00 0.00 N ATOM 919 CA ILE A 58 -7.840 -19.852 13.821 1.00 0.00 C ATOM 920 C ILE A 58 -7.843 -21.362 13.603 1.00 0.00 C ATOM 921 O ILE A 58 -7.217 -21.863 12.671 1.00 0.00 O ATOM 922 CB ILE A 58 -6.892 -19.509 14.966 1.00 0.00 C ATOM 923 CG1 ILE A 58 -6.735 -17.986 15.061 1.00 0.00 C ATOM 924 CG2 ILE A 58 -5.520 -20.140 14.711 1.00 0.00 C ATOM 925 CD1 ILE A 58 -5.985 -17.613 16.352 1.00 0.00 C ATOM 0 H ILE A 58 -9.283 -18.962 15.059 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.505 -19.358 12.909 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.303 -19.897 15.898 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.190 -17.614 14.194 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.715 -17.510 15.050 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.847 -19.892 15.532 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.625 -21.223 14.642 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.110 -19.755 13.777 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.878 -16.530 16.411 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.547 -17.970 17.215 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.998 -18.075 16.346 1.00 0.00 H new ATOM 937 N ALA A 59 -8.549 -22.080 14.469 1.00 0.00 N ATOM 938 CA ALA A 59 -8.622 -23.532 14.357 1.00 0.00 C ATOM 939 C ALA A 59 -9.255 -23.933 13.028 1.00 0.00 C ATOM 940 O ALA A 59 -8.860 -24.925 12.416 1.00 0.00 O ATOM 941 CB ALA A 59 -9.452 -24.102 15.509 1.00 0.00 C ATOM 0 H ALA A 59 -9.074 -21.685 15.249 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.610 -23.934 14.403 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.502 -25.187 15.419 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.986 -23.838 16.458 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.459 -23.688 15.471 1.00 0.00 H new ATOM 947 N GLU A 60 -10.241 -23.157 12.590 1.00 0.00 N ATOM 948 CA GLU A 60 -10.926 -23.440 11.334 1.00 0.00 C ATOM 949 C GLU A 60 -10.039 -23.082 10.149 1.00 0.00 C ATOM 950 O GLU A 60 -10.403 -23.317 8.997 1.00 0.00 O ATOM 951 CB GLU A 60 -12.228 -22.644 11.258 1.00 0.00 C ATOM 952 CG GLU A 60 -13.210 -23.171 12.306 1.00 0.00 C ATOM 953 CD GLU A 60 -14.467 -22.308 12.322 1.00 0.00 C ATOM 954 OE1 GLU A 60 -14.539 -21.386 11.527 1.00 0.00 O ATOM 955 OE2 GLU A 60 -15.338 -22.582 13.131 1.00 0.00 O ATOM 0 H GLU A 60 -10.582 -22.332 13.083 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.150 -24.506 11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.030 -21.586 11.429 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.662 -22.730 10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.472 -24.205 12.084 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.742 -23.165 13.290 1.00 0.00 H new ATOM 962 N HIS A 61 -8.871 -22.513 10.437 1.00 0.00 N ATOM 963 CA HIS A 61 -7.931 -22.123 9.385 1.00 0.00 C ATOM 964 C HIS A 61 -6.512 -22.552 9.752 1.00 0.00 C ATOM 965 O HIS A 61 -5.652 -21.714 10.024 1.00 0.00 O ATOM 966 CB HIS A 61 -7.977 -20.611 9.176 1.00 0.00 C ATOM 967 CG HIS A 61 -9.231 -20.248 8.426 1.00 0.00 C ATOM 968 ND1 HIS A 61 -10.491 -20.625 8.864 1.00 0.00 N ATOM 969 CD2 HIS A 61 -9.432 -19.546 7.264 1.00 0.00 C ATOM 970 CE1 HIS A 61 -11.387 -20.152 7.979 1.00 0.00 C ATOM 971 NE2 HIS A 61 -10.795 -19.486 6.984 1.00 0.00 N ATOM 0 H HIS A 61 -8.552 -22.312 11.385 1.00 0.00 H new ATOM 0 HA HIS A 61 -8.220 -22.621 8.460 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.954 -20.099 10.138 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.099 -20.283 8.619 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.652 -19.107 6.659 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -12.454 -20.293 8.063 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -11.245 -19.031 6.190 1.00 0.00 H new ATOM 979 N PRO A 62 -6.258 -23.835 9.763 1.00 0.00 N ATOM 980 CA PRO A 62 -4.914 -24.387 10.100 1.00 0.00 C ATOM 981 C PRO A 62 -3.905 -24.153 8.979 1.00 0.00 C ATOM 982 O PRO A 62 -2.706 -24.344 9.163 1.00 0.00 O ATOM 983 CB PRO A 62 -5.176 -25.886 10.313 1.00 0.00 C ATOM 984 CG PRO A 62 -6.403 -26.189 9.508 1.00 0.00 C ATOM 985 CD PRO A 62 -7.229 -24.900 9.454 1.00 0.00 C ATOM 0 HA PRO A 62 -4.477 -23.906 10.975 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.329 -26.485 9.980 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.331 -26.113 11.368 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.135 -26.518 8.504 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.976 -26.996 9.966 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.679 -24.756 8.472 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.044 -24.918 10.178 1.00 0.00 H new ATOM 993 N THR A 63 -4.403 -23.751 7.814 1.00 0.00 N ATOM 994 CA THR A 63 -3.535 -23.505 6.664 1.00 0.00 C ATOM 995 C THR A 63 -3.177 -22.028 6.582 1.00 0.00 C ATOM 996 O THR A 63 -2.489 -21.603 5.658 1.00 0.00 O ATOM 997 CB THR A 63 -4.239 -23.933 5.375 1.00 0.00 C ATOM 998 OG1 THR A 63 -5.564 -23.420 5.366 1.00 0.00 O ATOM 999 CG2 THR A 63 -4.280 -25.460 5.297 1.00 0.00 C ATOM 0 H THR A 63 -5.395 -23.589 7.640 1.00 0.00 H new ATOM 0 HA THR A 63 -2.622 -24.088 6.786 1.00 0.00 H new ATOM 0 HB THR A 63 -3.693 -23.542 4.516 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.015 -23.693 4.540 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.782 -25.764 4.378 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.263 -25.852 5.302 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.825 -25.854 6.155 1.00 0.00 H new ATOM 1007 N SER A 64 -3.649 -21.252 7.555 1.00 0.00 N ATOM 1008 CA SER A 64 -3.370 -19.819 7.583 1.00 0.00 C ATOM 1009 C SER A 64 -4.248 -19.083 6.574 1.00 0.00 C ATOM 1010 O SER A 64 -4.641 -19.647 5.554 1.00 0.00 O ATOM 1011 CB SER A 64 -1.886 -19.566 7.268 1.00 0.00 C ATOM 1012 OG SER A 64 -1.121 -20.676 7.718 1.00 0.00 O ATOM 0 H SER A 64 -4.222 -21.588 8.329 1.00 0.00 H new ATOM 0 HA SER A 64 -3.594 -19.442 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.748 -19.423 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.548 -18.653 7.757 1.00 0.00 H new ATOM 0 HG SER A 64 -0.174 -20.523 7.519 1.00 0.00 H new ATOM 1018 N GLY A 65 -4.544 -17.823 6.867 1.00 0.00 N ATOM 1019 CA GLY A 65 -5.372 -17.019 5.976 1.00 0.00 C ATOM 1020 C GLY A 65 -5.798 -15.723 6.656 1.00 0.00 C ATOM 1021 O GLY A 65 -5.057 -15.160 7.462 1.00 0.00 O ATOM 0 H GLY A 65 -4.227 -17.339 7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.819 -16.792 5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.254 -17.587 5.681 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.996 -15.256 6.329 1.00 0.00 N ATOM 1026 CA ARG A 66 -7.514 -14.027 6.917 1.00 0.00 C ATOM 1027 C ARG A 66 -7.602 -14.153 8.431 1.00 0.00 C ATOM 1028 O ARG A 66 -7.434 -13.173 9.155 1.00 0.00 O ATOM 1029 CB ARG A 66 -8.901 -13.722 6.345 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.800 -13.493 4.828 1.00 0.00 C ATOM 1031 CD ARG A 66 -8.293 -12.076 4.544 1.00 0.00 C ATOM 1032 NE ARG A 66 -8.377 -11.786 3.120 1.00 0.00 N ATOM 1033 CZ ARG A 66 -7.547 -10.922 2.546 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -6.636 -10.317 3.261 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -7.646 -10.674 1.271 1.00 0.00 N ATOM 0 H ARG A 66 -7.624 -15.706 5.664 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.832 -13.212 6.673 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.580 -14.549 6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.318 -12.838 6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.124 -14.225 4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.776 -13.639 4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.884 -11.352 5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.262 -11.977 4.882 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.085 -12.254 2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.562 -10.508 4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.999 -9.654 2.820 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.360 -11.143 0.714 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.009 -10.011 0.830 1.00 0.00 H new ATOM 1049 N ASN A 67 -7.863 -15.365 8.902 1.00 0.00 N ATOM 1050 CA ASN A 67 -7.967 -15.611 10.336 1.00 0.00 C ATOM 1051 C ASN A 67 -6.643 -15.300 11.026 1.00 0.00 C ATOM 1052 O ASN A 67 -6.621 -14.743 12.123 1.00 0.00 O ATOM 1053 CB ASN A 67 -8.345 -17.074 10.586 1.00 0.00 C ATOM 1054 CG ASN A 67 -9.817 -17.293 10.256 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -10.279 -18.508 10.152 1.00 0.00 O flip ATOM 1056 ND2 ASN A 67 -10.570 -16.331 10.106 1.00 0.00 N flip ATOM 0 H ASN A 67 -8.006 -16.189 8.318 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.740 -14.961 10.746 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.725 -17.729 9.974 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.154 -17.335 11.627 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.207 -15.381 10.188 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.557 -16.483 9.900 1.00 0.00 H new ATOM 1063 N GLN A 68 -5.542 -15.667 10.379 1.00 0.00 N ATOM 1064 CA GLN A 68 -4.219 -15.426 10.946 1.00 0.00 C ATOM 1065 C GLN A 68 -4.062 -13.956 11.325 1.00 0.00 C ATOM 1066 O GLN A 68 -3.470 -13.631 12.353 1.00 0.00 O ATOM 1067 CB GLN A 68 -3.139 -15.814 9.934 1.00 0.00 C ATOM 1068 CG GLN A 68 -1.765 -15.781 10.608 1.00 0.00 C ATOM 1069 CD GLN A 68 -1.664 -16.899 11.640 1.00 0.00 C ATOM 1070 OE1 GLN A 68 -1.833 -18.071 11.305 1.00 0.00 O ATOM 1071 NE2 GLN A 68 -1.401 -16.605 12.884 1.00 0.00 N ATOM 0 H GLN A 68 -5.538 -16.129 9.469 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.110 -16.035 11.843 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.338 -16.811 9.540 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.156 -15.127 9.088 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.981 -15.894 9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.610 -14.815 11.089 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.261 -15.633 13.160 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.335 -17.347 13.581 1.00 0.00 H new ATOM 1080 N ALA A 69 -4.598 -13.075 10.489 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.517 -11.641 10.748 1.00 0.00 C ATOM 1082 C ALA A 69 -5.448 -11.256 11.891 1.00 0.00 C ATOM 1083 O ALA A 69 -5.157 -10.342 12.659 1.00 0.00 O ATOM 1084 CB ALA A 69 -4.893 -10.858 9.491 1.00 0.00 C ATOM 0 H ALA A 69 -5.090 -13.325 9.631 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.492 -11.397 11.029 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.829 -9.789 9.695 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.207 -11.115 8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.911 -11.111 9.196 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.572 -11.953 11.993 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.540 -11.668 13.041 1.00 0.00 C ATOM 1092 C LEU A 70 -6.920 -11.896 14.417 1.00 0.00 C ATOM 1093 O LEU A 70 -7.165 -11.137 15.353 1.00 0.00 O ATOM 1094 CB LEU A 70 -8.773 -12.564 12.875 1.00 0.00 C ATOM 1095 CG LEU A 70 -9.830 -12.195 13.928 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -10.329 -10.758 13.691 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -11.004 -13.172 13.832 1.00 0.00 C ATOM 0 H LEU A 70 -6.834 -12.715 11.367 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.840 -10.623 12.959 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.187 -12.446 11.874 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.490 -13.611 12.982 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.385 -12.255 14.921 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.078 -10.504 14.441 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.491 -10.065 13.766 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.772 -10.686 12.698 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.755 -12.912 14.578 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.445 -13.114 12.837 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.649 -14.187 14.013 1.00 0.00 H new ATOM 1109 N THR A 71 -6.129 -12.953 14.534 1.00 0.00 N ATOM 1110 CA THR A 71 -5.487 -13.276 15.802 1.00 0.00 C ATOM 1111 C THR A 71 -4.700 -12.077 16.321 1.00 0.00 C ATOM 1112 O THR A 71 -4.442 -11.962 17.518 1.00 0.00 O ATOM 1113 CB THR A 71 -4.543 -14.465 15.620 1.00 0.00 C ATOM 1114 OG1 THR A 71 -5.236 -15.523 14.974 1.00 0.00 O ATOM 1115 CG2 THR A 71 -4.037 -14.934 16.985 1.00 0.00 C ATOM 0 H THR A 71 -5.917 -13.598 13.773 1.00 0.00 H new ATOM 0 HA THR A 71 -6.260 -13.533 16.526 1.00 0.00 H new ATOM 0 HB THR A 71 -3.692 -14.164 15.009 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.591 -16.181 14.641 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.364 -15.781 16.852 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.502 -14.120 17.474 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.883 -15.236 17.603 1.00 0.00 H new ATOM 1123 N GLN A 72 -4.324 -11.185 15.413 1.00 0.00 N ATOM 1124 CA GLN A 72 -3.569 -9.998 15.792 1.00 0.00 C ATOM 1125 C GLN A 72 -4.411 -9.083 16.676 1.00 0.00 C ATOM 1126 O GLN A 72 -3.902 -8.465 17.611 1.00 0.00 O ATOM 1127 CB GLN A 72 -3.131 -9.237 14.541 1.00 0.00 C ATOM 1128 CG GLN A 72 -2.238 -8.060 14.940 1.00 0.00 C ATOM 1129 CD GLN A 72 -0.922 -8.573 15.517 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -0.365 -9.550 15.019 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -0.391 -7.968 16.545 1.00 0.00 N ATOM 0 H GLN A 72 -4.528 -11.260 14.416 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.690 -10.316 16.352 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.592 -9.904 13.868 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.005 -8.876 13.999 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.043 -7.431 14.072 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.749 -7.439 15.675 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.855 -7.158 16.956 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.488 -8.305 16.937 1.00 0.00 H new ATOM 1140 N LEU A 73 -5.695 -8.987 16.364 1.00 0.00 N ATOM 1141 CA LEU A 73 -6.590 -8.131 17.127 1.00 0.00 C ATOM 1142 C LEU A 73 -6.625 -8.555 18.587 1.00 0.00 C ATOM 1143 O LEU A 73 -6.964 -7.766 19.464 1.00 0.00 O ATOM 1144 CB LEU A 73 -8.008 -8.180 16.521 1.00 0.00 C ATOM 1145 CG LEU A 73 -8.173 -7.102 15.443 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -7.442 -7.535 14.177 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -9.657 -6.908 15.149 1.00 0.00 C ATOM 0 H LEU A 73 -6.138 -9.487 15.593 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.218 -7.108 17.078 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.191 -9.164 16.090 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.750 -8.033 17.306 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.750 -6.160 15.794 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.558 -6.770 13.410 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.383 -7.670 14.397 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.861 -8.475 13.818 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.779 -6.142 14.383 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.084 -7.847 14.795 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.170 -6.596 16.059 1.00 0.00 H new ATOM 1159 N LYS A 74 -6.287 -9.801 18.837 1.00 0.00 N ATOM 1160 CA LYS A 74 -6.281 -10.311 20.198 1.00 0.00 C ATOM 1161 C LYS A 74 -5.244 -9.584 21.051 1.00 0.00 C ATOM 1162 O LYS A 74 -5.513 -9.212 22.193 1.00 0.00 O ATOM 1163 CB LYS A 74 -5.972 -11.812 20.191 1.00 0.00 C ATOM 1164 CG LYS A 74 -6.055 -12.368 21.614 1.00 0.00 C ATOM 1165 CD LYS A 74 -5.776 -13.869 21.598 1.00 0.00 C ATOM 1166 CE LYS A 74 -5.877 -14.420 23.022 1.00 0.00 C ATOM 1167 NZ LYS A 74 -5.638 -15.891 23.002 1.00 0.00 N ATOM 0 H LYS A 74 -6.014 -10.478 18.125 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.268 -10.139 20.628 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.678 -12.334 19.546 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.977 -11.985 19.781 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.334 -11.861 22.255 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.043 -12.177 22.032 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.490 -14.376 20.949 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.783 -14.061 21.191 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.146 -13.930 23.666 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.862 -14.206 23.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.404 -16.218 23.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.495 -16.378 22.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.848 -16.106 22.361 1.00 0.00 H new ATOM 1181 N GLU A 75 -4.046 -9.422 20.500 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.963 -8.769 21.223 1.00 0.00 C ATOM 1183 C GLU A 75 -3.209 -7.272 21.352 1.00 0.00 C ATOM 1184 O GLU A 75 -2.634 -6.610 22.218 1.00 0.00 O ATOM 1185 CB GLU A 75 -1.632 -9.015 20.508 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.270 -10.500 20.594 1.00 0.00 C ATOM 1187 CD GLU A 75 0.007 -10.772 19.806 1.00 0.00 C ATOM 1188 OE1 GLU A 75 0.588 -9.820 19.310 1.00 0.00 O ATOM 1189 OE2 GLU A 75 0.389 -11.927 19.713 1.00 0.00 O ATOM 0 H GLU A 75 -3.802 -9.732 19.560 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.922 -9.196 22.225 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.706 -8.708 19.465 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.846 -8.412 20.963 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.133 -10.790 21.636 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.086 -11.105 20.200 1.00 0.00 H new ATOM 1196 N GLN A 76 -4.040 -6.737 20.466 1.00 0.00 N ATOM 1197 CA GLN A 76 -4.324 -5.309 20.473 1.00 0.00 C ATOM 1198 C GLN A 76 -4.887 -4.872 21.816 1.00 0.00 C ATOM 1199 O GLN A 76 -4.301 -4.026 22.494 1.00 0.00 O ATOM 1200 CB GLN A 76 -5.327 -4.971 19.369 1.00 0.00 C ATOM 1201 CG GLN A 76 -4.676 -5.157 17.994 1.00 0.00 C ATOM 1202 CD GLN A 76 -3.550 -4.149 17.811 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -3.759 -2.948 17.988 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -2.361 -4.565 17.474 1.00 0.00 N ATOM 0 H GLN A 76 -4.525 -7.265 19.740 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.389 -4.777 20.297 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.204 -5.612 19.455 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.671 -3.943 19.481 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.286 -6.171 17.901 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.421 -5.029 17.209 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.191 -5.560 17.328 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.601 -3.895 17.356 1.00 0.00 H new ATOM 1213 N VAL A 77 -6.021 -5.443 22.194 1.00 0.00 N ATOM 1214 CA VAL A 77 -6.646 -5.094 23.455 1.00 0.00 C ATOM 1215 C VAL A 77 -5.693 -5.348 24.619 1.00 0.00 C ATOM 1216 O VAL A 77 -5.616 -4.550 25.554 1.00 0.00 O ATOM 1217 CB VAL A 77 -7.915 -5.917 23.654 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -8.604 -5.518 24.979 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -8.868 -5.668 22.482 1.00 0.00 C ATOM 0 H VAL A 77 -6.522 -6.144 21.648 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.897 -4.034 23.428 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.655 -6.975 23.697 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.509 -6.111 25.112 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.925 -5.701 25.812 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.865 -4.460 24.949 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.776 -6.255 22.621 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.123 -4.609 22.439 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.384 -5.963 21.551 1.00 0.00 H new ATOM 1229 N THR A 78 -4.977 -6.468 24.565 1.00 0.00 N ATOM 1230 CA THR A 78 -4.044 -6.818 25.634 1.00 0.00 C ATOM 1231 C THR A 78 -3.239 -5.591 26.059 1.00 0.00 C ATOM 1232 O THR A 78 -3.101 -5.315 27.251 1.00 0.00 O ATOM 1233 CB THR A 78 -3.086 -7.906 25.140 1.00 0.00 C ATOM 1234 OG1 THR A 78 -3.828 -8.936 24.501 1.00 0.00 O ATOM 1235 CG2 THR A 78 -2.317 -8.486 26.325 1.00 0.00 C ATOM 0 H THR A 78 -5.023 -7.143 23.802 1.00 0.00 H new ATOM 0 HA THR A 78 -4.611 -7.184 26.490 1.00 0.00 H new ATOM 0 HB THR A 78 -2.381 -7.474 24.430 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.241 -9.701 24.326 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.635 -9.260 25.973 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.747 -7.694 26.811 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.019 -8.918 27.038 1.00 0.00 H new ATOM 1243 N SER A 79 -2.738 -4.846 25.083 1.00 0.00 N ATOM 1244 CA SER A 79 -1.978 -3.635 25.372 1.00 0.00 C ATOM 1245 C SER A 79 -2.909 -2.525 25.857 1.00 0.00 C ATOM 1246 O SER A 79 -2.530 -1.700 26.689 1.00 0.00 O ATOM 1247 CB SER A 79 -1.229 -3.173 24.124 1.00 0.00 C ATOM 1248 OG SER A 79 -0.453 -2.026 24.441 1.00 0.00 O ATOM 0 H SER A 79 -2.842 -5.056 24.090 1.00 0.00 H new ATOM 0 HA SER A 79 -1.257 -3.859 26.158 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.585 -3.972 23.756 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.935 -2.940 23.327 1.00 0.00 H new ATOM 0 HG SER A 79 0.031 -1.727 23.643 1.00 0.00 H new ATOM 1254 N ALA A 80 -4.129 -2.506 25.321 1.00 0.00 N ATOM 1255 CA ALA A 80 -5.104 -1.488 25.701 1.00 0.00 C ATOM 1256 C ALA A 80 -5.388 -1.552 27.197 1.00 0.00 C ATOM 1257 O ALA A 80 -5.326 -0.540 27.895 1.00 0.00 O ATOM 1258 CB ALA A 80 -6.408 -1.695 24.919 1.00 0.00 C ATOM 0 H ALA A 80 -4.462 -3.177 24.629 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.691 -0.508 25.464 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.131 -0.932 25.208 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.207 -1.619 23.850 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.814 -2.682 25.143 1.00 0.00 H new ATOM 1264 N LEU A 81 -5.699 -2.749 27.684 1.00 0.00 N ATOM 1265 CA LEU A 81 -5.987 -2.934 29.101 1.00 0.00 C ATOM 1266 C LEU A 81 -4.738 -2.709 29.941 1.00 0.00 C ATOM 1267 O LEU A 81 -4.817 -2.245 31.078 1.00 0.00 O ATOM 1268 CB LEU A 81 -6.518 -4.345 29.342 1.00 0.00 C ATOM 1269 CG LEU A 81 -7.693 -4.617 28.405 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -8.178 -6.059 28.596 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -8.841 -3.644 28.715 1.00 0.00 C ATOM 0 H LEU A 81 -5.758 -3.599 27.123 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.741 -2.204 29.396 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.727 -5.076 29.172 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.834 -4.453 30.379 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.370 -4.475 27.374 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.017 -6.252 27.927 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.366 -6.749 28.369 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.497 -6.202 29.628 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.677 -3.842 28.044 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.164 -3.780 29.747 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.497 -2.619 28.574 1.00 0.00 H new ATOM 1283 N GLY A 82 -3.583 -3.034 29.372 1.00 0.00 N ATOM 1284 CA GLY A 82 -2.315 -2.863 30.076 1.00 0.00 C ATOM 1285 C GLY A 82 -1.946 -4.118 30.858 1.00 0.00 C ATOM 1286 O GLY A 82 -1.029 -4.103 31.680 1.00 0.00 O ATOM 0 H GLY A 82 -3.497 -3.416 28.430 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.526 -2.633 29.360 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.385 -2.015 30.757 1.00 0.00 H new ATOM 1290 N LEU A 83 -2.646 -5.210 30.582 1.00 0.00 N ATOM 1291 CA LEU A 83 -2.359 -6.471 31.257 1.00 0.00 C ATOM 1292 C LEU A 83 -0.977 -6.978 30.885 1.00 0.00 C ATOM 1293 O LEU A 83 -0.243 -7.472 31.741 1.00 0.00 O ATOM 1294 CB LEU A 83 -3.422 -7.529 30.882 1.00 0.00 C ATOM 1295 CG LEU A 83 -4.585 -7.503 31.887 1.00 0.00 C ATOM 1296 CD1 LEU A 83 -5.503 -6.314 31.597 1.00 0.00 C ATOM 1297 CD2 LEU A 83 -5.373 -8.807 31.779 1.00 0.00 C ATOM 0 H LEU A 83 -3.407 -5.250 29.905 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.388 -6.297 32.333 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.797 -7.336 29.877 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.968 -8.520 30.867 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.188 -7.400 32.897 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.324 -6.304 32.314 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.936 -5.387 31.682 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.905 -6.402 30.587 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.199 -8.793 32.490 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.766 -8.912 30.768 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.717 -9.648 32.002 1.00 0.00 H new ATOM 1309 N GLU A 84 -0.634 -6.863 29.611 1.00 0.00 N ATOM 1310 CA GLU A 84 0.667 -7.317 29.140 1.00 0.00 C ATOM 1311 C GLU A 84 0.887 -8.780 29.495 1.00 0.00 C ATOM 1312 O GLU A 84 2.023 -9.252 29.542 1.00 0.00 O ATOM 1313 CB GLU A 84 1.771 -6.462 29.767 1.00 0.00 C ATOM 1314 CG GLU A 84 1.687 -5.034 29.226 1.00 0.00 C ATOM 1315 CD GLU A 84 2.013 -5.019 27.735 1.00 0.00 C ATOM 1316 OE1 GLU A 84 3.044 -5.561 27.372 1.00 0.00 O ATOM 1317 OE2 GLU A 84 1.225 -4.474 26.981 1.00 0.00 O ATOM 0 H GLU A 84 -1.233 -6.462 28.889 1.00 0.00 H new ATOM 0 HA GLU A 84 0.698 -7.215 28.055 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.668 -6.457 30.852 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.748 -6.890 29.542 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.688 -4.632 29.392 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.383 -4.391 29.765 1.00 0.00 H new ATOM 1324 N HIS A 85 -0.204 -9.496 29.749 1.00 0.00 N ATOM 1325 CA HIS A 85 -0.115 -10.911 30.101 1.00 0.00 C ATOM 1326 C HIS A 85 -0.193 -11.780 28.852 1.00 0.00 C ATOM 1327 O HIS A 85 -1.153 -11.698 28.086 1.00 0.00 O ATOM 1328 CB HIS A 85 -1.253 -11.282 31.055 1.00 0.00 C ATOM 1329 CG HIS A 85 -1.080 -12.705 31.510 1.00 0.00 C ATOM 1330 ND1 HIS A 85 -1.566 -13.779 30.779 1.00 0.00 N ATOM 1331 CD2 HIS A 85 -0.478 -13.248 32.618 1.00 0.00 C ATOM 1332 CE1 HIS A 85 -1.252 -14.902 31.450 1.00 0.00 C ATOM 1333 NE2 HIS A 85 -0.588 -14.636 32.578 1.00 0.00 N ATOM 0 H HIS A 85 -1.153 -9.124 29.718 1.00 0.00 H new ATOM 0 HA HIS A 85 0.843 -11.086 30.591 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.255 -10.612 31.914 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.214 -11.163 30.556 1.00 0.00 H new ATOM 0 HD2 HIS A 85 0.007 -12.685 33.401 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.506 -15.898 31.117 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -0.237 -15.305 33.263 1.00 0.00 H new ATOM 1341 N HIS A 86 0.822 -12.616 28.656 1.00 0.00 N ATOM 1342 CA HIS A 86 0.856 -13.502 27.498 1.00 0.00 C ATOM 1343 C HIS A 86 1.820 -14.659 27.738 1.00 0.00 C ATOM 1344 O HIS A 86 2.556 -15.064 26.838 1.00 0.00 O ATOM 1345 CB HIS A 86 1.288 -12.725 26.254 1.00 0.00 C ATOM 1346 CG HIS A 86 1.038 -13.560 25.028 1.00 0.00 C ATOM 1347 ND1 HIS A 86 2.059 -14.214 24.358 1.00 0.00 N ATOM 1348 CD2 HIS A 86 -0.114 -13.858 24.342 1.00 0.00 C ATOM 1349 CE1 HIS A 86 1.507 -14.867 23.318 1.00 0.00 C ATOM 1350 NE2 HIS A 86 0.185 -14.684 23.263 1.00 0.00 N ATOM 0 H HIS A 86 1.626 -12.698 29.279 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.146 -13.903 27.343 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.735 -11.788 26.188 1.00 0.00 H new ATOM 0 HB3 HIS A 86 2.345 -12.467 26.322 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.101 -13.505 24.601 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.065 -15.466 22.614 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -0.466 -15.067 22.577 1.00 0.00 H new ATOM 1358 N HIS A 87 1.811 -15.189 28.958 1.00 0.00 N ATOM 1359 CA HIS A 87 2.691 -16.299 29.304 1.00 0.00 C ATOM 1360 C HIS A 87 2.326 -17.541 28.494 1.00 0.00 C ATOM 1361 O HIS A 87 3.201 -18.231 27.970 1.00 0.00 O ATOM 1362 CB HIS A 87 2.574 -16.612 30.797 1.00 0.00 C ATOM 1363 CG HIS A 87 3.588 -17.657 31.171 1.00 0.00 C ATOM 1364 ND1 HIS A 87 3.435 -18.992 30.830 1.00 0.00 N ATOM 1365 CD2 HIS A 87 4.774 -17.581 31.859 1.00 0.00 C ATOM 1366 CE1 HIS A 87 4.503 -19.659 31.308 1.00 0.00 C ATOM 1367 NE2 HIS A 87 5.350 -18.845 31.944 1.00 0.00 N ATOM 0 H HIS A 87 1.209 -14.870 29.717 1.00 0.00 H new ATOM 0 HA HIS A 87 3.717 -16.013 29.072 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.736 -15.707 31.383 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.569 -16.966 31.028 1.00 0.00 H new ATOM 0 HD1 HIS A 87 2.655 -19.396 30.311 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.196 -16.677 32.272 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.656 -20.722 31.191 1.00 0.00 H new ATOM 1375 N HIS A 88 1.031 -17.816 28.393 1.00 0.00 N ATOM 1376 CA HIS A 88 0.560 -18.974 27.642 1.00 0.00 C ATOM 1377 C HIS A 88 1.167 -20.258 28.200 1.00 0.00 C ATOM 1378 O HIS A 88 1.935 -20.225 29.162 1.00 0.00 O ATOM 1379 CB HIS A 88 0.939 -18.829 26.166 1.00 0.00 C ATOM 1380 CG HIS A 88 0.249 -19.897 25.364 1.00 0.00 C ATOM 1381 ND1 HIS A 88 0.729 -20.996 24.695 1.00 0.00 N flip ATOM 1382 CD2 HIS A 88 -1.124 -19.908 25.175 1.00 0.00 C flip ATOM 1383 CE1 HIS A 88 -0.328 -21.680 24.101 1.00 0.00 C flip ATOM 1384 NE2 HIS A 88 -1.421 -20.982 24.421 1.00 0.00 N flip ATOM 0 H HIS A 88 0.292 -17.257 28.819 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.525 -19.027 27.736 1.00 0.00 H new ATOM 0 HB2 HIS A 88 0.652 -17.843 25.801 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.019 -18.911 26.047 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.827 -19.186 25.562 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.276 -22.582 23.509 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.366 -21.233 24.129 1.00 0.00 H new ATOM 1392 N HIS A 89 0.818 -21.386 27.591 1.00 0.00 N ATOM 1393 CA HIS A 89 1.335 -22.673 28.037 1.00 0.00 C ATOM 1394 C HIS A 89 1.053 -22.880 29.522 1.00 0.00 C ATOM 1395 O HIS A 89 -0.080 -23.153 29.916 1.00 0.00 O ATOM 1396 CB HIS A 89 2.844 -22.745 27.786 1.00 0.00 C ATOM 1397 CG HIS A 89 3.370 -24.070 28.266 1.00 0.00 C ATOM 1398 ND1 HIS A 89 4.053 -24.429 29.402 1.00 0.00 N flip ATOM 1399 CD2 HIS A 89 3.211 -25.237 27.536 1.00 0.00 C flip ATOM 1400 CE1 HIS A 89 4.315 -25.796 29.379 1.00 0.00 C flip ATOM 1401 NE2 HIS A 89 3.786 -26.234 28.232 1.00 0.00 N flip ATOM 0 H HIS A 89 0.184 -21.435 26.793 1.00 0.00 H new ATOM 0 HA HIS A 89 0.835 -23.460 27.472 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.053 -22.622 26.723 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.349 -21.931 28.306 1.00 0.00 H new ATOM 0 HD2 HIS A 89 2.715 -25.329 26.581 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.834 -26.377 30.127 1.00 0.00 H new ATOM 0 HE2 HIS A 89 3.815 -27.205 27.923 1.00 0.00 H new ATOM 1409 N HIS A 90 2.091 -22.748 30.343 1.00 0.00 N ATOM 1410 CA HIS A 90 1.942 -22.924 31.782 1.00 0.00 C ATOM 1411 C HIS A 90 3.180 -22.418 32.515 1.00 0.00 C ATOM 1412 O HIS A 90 3.099 -21.358 33.113 1.00 0.00 O ATOM 1413 CB HIS A 90 1.725 -24.403 32.106 1.00 0.00 C ATOM 1414 CG HIS A 90 1.545 -24.570 33.590 1.00 0.00 C ATOM 1415 ND1 HIS A 90 0.382 -24.188 34.241 1.00 0.00 N ATOM 1416 CD2 HIS A 90 2.371 -25.075 34.564 1.00 0.00 C ATOM 1417 CE1 HIS A 90 0.539 -24.466 35.548 1.00 0.00 C ATOM 1418 NE2 HIS A 90 1.733 -25.009 35.800 1.00 0.00 N ATOM 1419 OXT HIS A 90 4.193 -23.096 32.464 1.00 0.00 O ATOM 0 H HIS A 90 3.038 -22.521 30.038 1.00 0.00 H new ATOM 0 HA HIS A 90 1.078 -22.348 32.112 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.848 -24.777 31.578 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.577 -24.990 31.764 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.364 -25.464 34.397 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.210 -24.273 36.302 1.00 0.00 H new ATOM 0 HE2 HIS A 90 2.099 -25.310 36.703 1.00 0.00 H new TER 1427 HIS A 90