USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 953 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 120 HIS : no HD1:sc= -1.04 K(o=-0.99,f=-2.6!) USER MOD Set 1.2: A 121 HIS :FLIP no HE2:sc= 0.052 F(o=-1.6,f=-0.99) USER MOD Set 2.1: A 25 GLN : amide:sc= 0 K(o=-1.2,f=-1.9) USER MOD Set 2.2: A 96 TYR OH : rot 30:sc= -1.19 USER MOD Set 3.1: A 76 LYS NZ :NH3+ -166:sc= 0.982 (180deg=0) USER MOD Set 3.2: A 78 THR OG1 : rot 120:sc= 0.859 USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.119 (180deg=-0.0889) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 88:sc= 0.159 USER MOD Single : A 11 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1) USER MOD Single : A 18 TYR OH : rot 180:sc= -1.37 USER MOD Single : A 23 THR OG1 : rot -167:sc= -0.623! USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= 0.653 (180deg=0.474) USER MOD Single : A 29 TYR OH : rot -30:sc= 1.05 USER MOD Single : A 32 GLN : amide:sc= -2.95! C(o=-3!,f=-5.4!) USER MOD Single : A 42 SER OG : rot 16:sc= 0.885 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -4:sc= 0.239 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0295 X(o=-0.03,f=-0.058) USER MOD Single : A 59 GLN : amide:sc= 0.798 K(o=0.8,f=-2!) USER MOD Single : A 62 ASN : amide:sc=-0.00348 K(o=-0.0035,f=-0.88) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-2) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -130:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 81 ASN : amide:sc= -0.0637 K(o=-0.064,f=-2.9!) USER MOD Single : A 82 HIS : no HD1:sc= -0.0216 X(o=-0.022,f=-0.29) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00322 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 59:sc= 1.18 USER MOD Single : A 92 HIS :FLIP no HE2:sc= 0.678 F(o=-2.1!,f=0.68) USER MOD Single : A 94 THR OG1 : rot 87:sc= -0.502 USER MOD Single : A 97 CYS SG : rot 75:sc= 0.992 USER MOD Single : A 103 CYS SG : rot 170:sc= -0.121 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -81:sc= 0.916 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.856 12.377 -10.320 1.00 0.00 N ATOM 2 CA MET A 1 -25.219 12.574 -9.004 1.00 0.00 C ATOM 3 C MET A 1 -24.001 13.473 -9.135 1.00 0.00 C ATOM 4 O MET A 1 -23.488 13.684 -10.240 1.00 0.00 O ATOM 5 CB MET A 1 -24.810 11.229 -8.396 1.00 0.00 C ATOM 6 CG MET A 1 -25.981 10.331 -8.037 1.00 0.00 C ATOM 7 SD MET A 1 -25.458 8.753 -7.345 1.00 0.00 S ATOM 8 CE MET A 1 -27.023 7.871 -7.316 1.00 0.00 C ATOM 0 H1 MET A 1 -26.835 12.727 -10.288 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.325 12.901 -11.045 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.858 11.364 -10.557 1.00 0.00 H new ATOM 0 HA MET A 1 -25.943 13.051 -8.343 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.166 10.704 -9.101 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.218 11.412 -7.499 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.621 10.844 -7.319 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.583 10.151 -8.928 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.869 6.871 -6.912 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.733 8.411 -6.689 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.417 7.796 -8.329 1.00 0.00 H new ATOM 20 N SER A 2 -23.556 14.017 -8.014 1.00 0.00 N ATOM 21 CA SER A 2 -22.394 14.890 -7.984 1.00 0.00 C ATOM 22 C SER A 2 -21.129 14.128 -8.409 1.00 0.00 C ATOM 23 O SER A 2 -20.302 14.641 -9.165 1.00 0.00 O ATOM 24 CB SER A 2 -22.222 15.483 -6.573 1.00 0.00 C ATOM 25 OG SER A 2 -21.123 16.383 -6.511 1.00 0.00 O ATOM 0 H SER A 2 -23.988 13.867 -7.102 1.00 0.00 H new ATOM 0 HA SER A 2 -22.549 15.704 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.135 16.003 -6.283 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.073 14.677 -5.855 1.00 0.00 H new ATOM 0 HG SER A 2 -21.044 16.741 -5.602 1.00 0.00 H new ATOM 31 N LEU A 3 -21.000 12.903 -7.922 1.00 0.00 N ATOM 32 CA LEU A 3 -19.842 12.064 -8.219 1.00 0.00 C ATOM 33 C LEU A 3 -20.072 11.248 -9.489 1.00 0.00 C ATOM 34 O LEU A 3 -21.216 11.046 -9.910 1.00 0.00 O ATOM 35 CB LEU A 3 -19.552 11.123 -7.048 1.00 0.00 C ATOM 36 CG LEU A 3 -19.281 11.794 -5.698 1.00 0.00 C ATOM 37 CD1 LEU A 3 -19.054 10.745 -4.619 1.00 0.00 C ATOM 38 CD2 LEU A 3 -18.083 12.730 -5.789 1.00 0.00 C ATOM 0 H LEU A 3 -21.689 12.462 -7.313 1.00 0.00 H new ATOM 0 HA LEU A 3 -18.984 12.718 -8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -20.400 10.448 -6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -18.689 10.509 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 3 -20.156 12.386 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.863 11.239 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -19.940 10.116 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -18.196 10.128 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.910 13.195 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -17.200 12.163 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -18.281 13.503 -6.531 1.00 0.00 H new ATOM 50 N GLY A 4 -18.988 10.795 -10.099 1.00 0.00 N ATOM 51 CA GLY A 4 -19.084 9.988 -11.297 1.00 0.00 C ATOM 52 C GLY A 4 -18.514 8.600 -11.091 1.00 0.00 C ATOM 53 O GLY A 4 -18.149 8.242 -9.965 1.00 0.00 O ATOM 0 H GLY A 4 -18.035 10.974 -9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.128 9.910 -11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.552 10.482 -12.111 1.00 0.00 H new ATOM 57 N SER A 5 -18.429 7.824 -12.176 1.00 0.00 N ATOM 58 CA SER A 5 -17.884 6.459 -12.136 1.00 0.00 C ATOM 59 C SER A 5 -18.714 5.555 -11.217 1.00 0.00 C ATOM 60 O SER A 5 -19.876 5.852 -10.916 1.00 0.00 O ATOM 61 CB SER A 5 -16.424 6.486 -11.664 1.00 0.00 C ATOM 62 OG SER A 5 -15.682 7.485 -12.355 1.00 0.00 O ATOM 0 H SER A 5 -18.734 8.120 -13.103 1.00 0.00 H new ATOM 0 HA SER A 5 -17.929 6.050 -13.145 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.388 6.678 -10.592 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.967 5.510 -11.828 1.00 0.00 H new ATOM 0 HG SER A 5 -14.755 7.484 -12.036 1.00 0.00 H new ATOM 68 N GLU A 6 -18.129 4.439 -10.802 1.00 0.00 N ATOM 69 CA GLU A 6 -18.793 3.535 -9.891 1.00 0.00 C ATOM 70 C GLU A 6 -17.844 3.149 -8.761 1.00 0.00 C ATOM 71 O GLU A 6 -17.249 2.067 -8.770 1.00 0.00 O ATOM 72 CB GLU A 6 -19.285 2.283 -10.618 1.00 0.00 C ATOM 73 CG GLU A 6 -20.151 1.379 -9.754 1.00 0.00 C ATOM 74 CD GLU A 6 -20.596 0.140 -10.479 1.00 0.00 C ATOM 75 OE1 GLU A 6 -21.627 0.196 -11.171 1.00 0.00 O ATOM 76 OE2 GLU A 6 -19.908 -0.898 -10.374 1.00 0.00 O ATOM 0 H GLU A 6 -17.195 4.144 -11.086 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.661 4.045 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.853 2.584 -11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.424 1.717 -10.973 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.594 1.093 -8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -21.027 1.934 -9.419 1.00 0.00 H new ATOM 83 N SER A 7 -17.662 4.054 -7.827 1.00 0.00 N ATOM 84 CA SER A 7 -16.842 3.825 -6.716 1.00 0.00 C ATOM 85 C SER A 7 -17.450 4.501 -5.493 1.00 0.00 C ATOM 86 O SER A 7 -18.611 4.909 -5.507 1.00 0.00 O ATOM 87 CB SER A 7 -15.442 4.359 -7.004 1.00 0.00 C ATOM 88 OG SER A 7 -15.499 5.652 -7.588 1.00 0.00 O ATOM 0 H SER A 7 -18.097 4.976 -7.841 1.00 0.00 H new ATOM 0 HA SER A 7 -16.767 2.756 -6.515 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.867 4.399 -6.079 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.920 3.676 -7.674 1.00 0.00 H new ATOM 0 HG SER A 7 -14.589 5.973 -7.761 1.00 0.00 H new ATOM 94 N GLU A 8 -16.664 4.634 -4.481 1.00 0.00 N ATOM 95 CA GLU A 8 -17.074 5.196 -3.252 1.00 0.00 C ATOM 96 C GLU A 8 -16.218 6.397 -2.952 1.00 0.00 C ATOM 97 O GLU A 8 -15.475 6.884 -3.811 1.00 0.00 O ATOM 98 CB GLU A 8 -16.904 4.174 -2.139 1.00 0.00 C ATOM 99 CG GLU A 8 -15.475 3.687 -2.004 1.00 0.00 C ATOM 100 CD GLU A 8 -15.274 2.762 -0.828 1.00 0.00 C ATOM 101 OE1 GLU A 8 -15.155 3.263 0.303 1.00 0.00 O ATOM 102 OE2 GLU A 8 -15.229 1.528 -1.036 1.00 0.00 O ATOM 0 H GLU A 8 -15.686 4.343 -4.492 1.00 0.00 H new ATOM 0 HA GLU A 8 -18.122 5.490 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.224 4.615 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.557 3.323 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.185 3.170 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.813 4.546 -1.900 1.00 0.00 H new ATOM 109 N THR A 9 -16.328 6.859 -1.753 1.00 0.00 N ATOM 110 CA THR A 9 -15.531 7.966 -1.273 1.00 0.00 C ATOM 111 C THR A 9 -14.065 7.544 -1.160 1.00 0.00 C ATOM 112 O THR A 9 -13.159 8.272 -1.570 1.00 0.00 O ATOM 113 CB THR A 9 -16.034 8.454 0.094 1.00 0.00 C ATOM 114 OG1 THR A 9 -17.455 8.658 0.040 1.00 0.00 O ATOM 115 CG2 THR A 9 -15.353 9.760 0.478 1.00 0.00 C ATOM 0 H THR A 9 -16.977 6.484 -1.061 1.00 0.00 H new ATOM 0 HA THR A 9 -15.621 8.784 -1.987 1.00 0.00 H new ATOM 0 HB THR A 9 -15.796 7.698 0.842 1.00 0.00 H new ATOM 0 HG1 THR A 9 -17.914 7.822 0.265 1.00 0.00 H new ATOM 0 HG21 THR A 9 -15.722 10.091 1.449 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.275 9.606 0.532 1.00 0.00 H new ATOM 0 HG23 THR A 9 -15.574 10.520 -0.272 1.00 0.00 H new ATOM 123 N GLY A 10 -13.844 6.364 -0.588 1.00 0.00 N ATOM 124 CA GLY A 10 -12.506 5.835 -0.461 1.00 0.00 C ATOM 125 C GLY A 10 -11.863 6.164 0.869 1.00 0.00 C ATOM 126 O GLY A 10 -11.107 5.363 1.411 1.00 0.00 O ATOM 0 H GLY A 10 -14.577 5.764 -0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.536 4.753 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.887 6.232 -1.266 1.00 0.00 H new ATOM 130 N ASN A 11 -12.156 7.347 1.395 1.00 0.00 N ATOM 131 CA ASN A 11 -11.579 7.789 2.665 1.00 0.00 C ATOM 132 C ASN A 11 -12.660 8.080 3.704 1.00 0.00 C ATOM 133 O ASN A 11 -12.429 8.803 4.686 1.00 0.00 O ATOM 134 CB ASN A 11 -10.673 9.006 2.443 1.00 0.00 C ATOM 135 CG ASN A 11 -9.410 8.649 1.669 1.00 0.00 C ATOM 136 OD1 ASN A 11 -8.900 7.534 1.767 1.00 0.00 O ATOM 137 ND2 ASN A 11 -8.901 9.588 0.897 1.00 0.00 N ATOM 0 H ASN A 11 -12.790 8.020 0.964 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.970 6.976 3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.225 9.774 1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.398 9.433 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.057 9.401 0.356 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.351 10.501 0.841 1.00 0.00 H new ATOM 144 N ALA A 12 -13.834 7.504 3.489 1.00 0.00 N ATOM 145 CA ALA A 12 -14.950 7.663 4.403 1.00 0.00 C ATOM 146 C ALA A 12 -15.673 6.342 4.572 1.00 0.00 C ATOM 147 O ALA A 12 -15.858 5.608 3.603 1.00 0.00 O ATOM 148 CB ALA A 12 -15.914 8.726 3.891 1.00 0.00 C ATOM 0 H ALA A 12 -14.037 6.917 2.680 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.564 7.984 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.744 8.831 4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.392 9.679 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.297 8.430 2.914 1.00 0.00 H new ATOM 154 N VAL A 13 -16.086 6.049 5.789 1.00 0.00 N ATOM 155 CA VAL A 13 -16.783 4.805 6.082 1.00 0.00 C ATOM 156 C VAL A 13 -18.133 5.070 6.717 1.00 0.00 C ATOM 157 O VAL A 13 -18.381 6.156 7.252 1.00 0.00 O ATOM 158 CB VAL A 13 -15.968 3.886 7.034 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.734 3.340 6.349 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.577 4.631 8.306 1.00 0.00 C ATOM 0 H VAL A 13 -15.952 6.657 6.597 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.912 4.300 5.125 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.608 3.046 7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.186 2.701 7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.030 2.759 5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.096 4.166 6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.008 3.967 8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.967 5.497 8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.477 4.963 8.825 1.00 0.00 H new ATOM 170 N VAL A 14 -19.001 4.084 6.643 1.00 0.00 N ATOM 171 CA VAL A 14 -20.299 4.164 7.261 1.00 0.00 C ATOM 172 C VAL A 14 -20.305 3.248 8.467 1.00 0.00 C ATOM 173 O VAL A 14 -20.149 2.030 8.335 1.00 0.00 O ATOM 174 CB VAL A 14 -21.424 3.737 6.287 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.788 3.892 6.938 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.352 4.534 4.991 1.00 0.00 C ATOM 0 H VAL A 14 -18.823 3.207 6.153 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.488 5.198 7.550 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.279 2.684 6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.563 3.586 6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.839 3.267 7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.942 4.934 7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.153 4.216 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.463 5.596 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.389 4.361 4.511 1.00 0.00 H new ATOM 186 N VAL A 15 -20.463 3.825 9.633 1.00 0.00 N ATOM 187 CA VAL A 15 -20.453 3.052 10.853 1.00 0.00 C ATOM 188 C VAL A 15 -21.853 2.952 11.416 1.00 0.00 C ATOM 189 O VAL A 15 -22.524 3.959 11.606 1.00 0.00 O ATOM 190 CB VAL A 15 -19.514 3.680 11.911 1.00 0.00 C ATOM 191 CG1 VAL A 15 -19.507 2.860 13.196 1.00 0.00 C ATOM 192 CG2 VAL A 15 -18.102 3.819 11.360 1.00 0.00 C ATOM 0 H VAL A 15 -20.600 4.827 9.764 1.00 0.00 H new ATOM 0 HA VAL A 15 -20.082 2.056 10.613 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.894 4.674 12.147 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.839 3.325 13.921 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -20.516 2.819 13.607 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -19.161 1.849 12.981 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.457 4.262 12.119 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.719 2.835 11.088 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.117 4.459 10.478 1.00 0.00 H new ATOM 202 N PHE A 16 -22.287 1.737 11.667 1.00 0.00 N ATOM 203 CA PHE A 16 -23.608 1.493 12.202 1.00 0.00 C ATOM 204 C PHE A 16 -23.574 0.397 13.258 1.00 0.00 C ATOM 205 O PHE A 16 -22.642 -0.410 13.302 1.00 0.00 O ATOM 206 CB PHE A 16 -24.606 1.140 11.077 1.00 0.00 C ATOM 207 CG PHE A 16 -24.240 -0.080 10.265 1.00 0.00 C ATOM 208 CD1 PHE A 16 -24.622 -1.349 10.675 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.518 0.046 9.087 1.00 0.00 C ATOM 210 CE1 PHE A 16 -24.291 -2.465 9.929 1.00 0.00 C ATOM 211 CE2 PHE A 16 -23.188 -1.064 8.336 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.574 -2.320 8.758 1.00 0.00 C ATOM 0 H PHE A 16 -21.737 0.893 11.507 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.950 2.412 12.679 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.590 0.983 11.519 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.691 1.994 10.405 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -25.185 -1.467 11.589 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.210 1.026 8.753 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.592 -3.447 10.261 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -22.628 -0.950 7.419 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.315 -3.190 8.172 1.00 0.00 H new ATOM 222 N GLY A 17 -24.588 0.377 14.104 1.00 0.00 N ATOM 223 CA GLY A 17 -24.657 -0.626 15.145 1.00 0.00 C ATOM 224 C GLY A 17 -24.155 -0.116 16.479 1.00 0.00 C ATOM 225 O GLY A 17 -23.559 -0.861 17.248 1.00 0.00 O ATOM 0 H GLY A 17 -25.366 1.037 14.090 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.688 -0.962 15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -24.069 -1.494 14.847 1.00 0.00 H new ATOM 229 N TYR A 18 -24.395 1.153 16.752 1.00 0.00 N ATOM 230 CA TYR A 18 -23.986 1.758 18.012 1.00 0.00 C ATOM 231 C TYR A 18 -25.145 2.552 18.609 1.00 0.00 C ATOM 232 O TYR A 18 -26.108 2.871 17.914 1.00 0.00 O ATOM 233 CB TYR A 18 -22.765 2.670 17.812 1.00 0.00 C ATOM 234 CG TYR A 18 -23.010 3.841 16.887 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.818 3.732 15.516 1.00 0.00 C ATOM 236 CD2 TYR A 18 -23.436 5.058 17.390 1.00 0.00 C ATOM 237 CE1 TYR A 18 -23.046 4.808 14.679 1.00 0.00 C ATOM 238 CE2 TYR A 18 -23.668 6.130 16.563 1.00 0.00 C ATOM 239 CZ TYR A 18 -23.473 6.004 15.214 1.00 0.00 C ATOM 240 OH TYR A 18 -23.707 7.079 14.394 1.00 0.00 O ATOM 0 H TYR A 18 -24.874 1.790 16.116 1.00 0.00 H new ATOM 0 HA TYR A 18 -23.706 0.962 18.701 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.446 3.049 18.783 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -21.942 2.075 17.416 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -22.486 2.793 15.098 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -23.589 5.167 18.454 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.891 4.712 13.615 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -24.003 7.070 16.976 1.00 0.00 H new ATOM 0 HH TYR A 18 -24.003 7.843 14.932 1.00 0.00 H new ATOM 250 N ARG A 19 -25.049 2.860 19.892 1.00 0.00 N ATOM 251 CA ARG A 19 -26.085 3.604 20.587 1.00 0.00 C ATOM 252 C ARG A 19 -25.474 4.815 21.306 1.00 0.00 C ATOM 253 O ARG A 19 -24.302 4.792 21.669 1.00 0.00 O ATOM 254 CB ARG A 19 -26.823 2.677 21.572 1.00 0.00 C ATOM 255 CG ARG A 19 -27.984 3.332 22.298 1.00 0.00 C ATOM 256 CD ARG A 19 -28.784 2.319 23.107 1.00 0.00 C ATOM 257 NE ARG A 19 -27.993 1.682 24.165 1.00 0.00 N ATOM 258 CZ ARG A 19 -28.441 0.669 24.918 1.00 0.00 C ATOM 259 NH1 ARG A 19 -29.665 0.197 24.731 1.00 0.00 N ATOM 260 NH2 ARG A 19 -27.666 0.125 25.850 1.00 0.00 N ATOM 0 H ARG A 19 -24.255 2.603 20.478 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.811 3.977 19.865 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -27.194 1.809 21.027 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -26.110 2.309 22.310 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -27.606 4.111 22.961 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -28.638 3.819 21.574 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -29.645 2.816 23.553 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -29.171 1.551 22.437 1.00 0.00 H new ATOM 0 HE ARG A 19 -27.050 2.030 24.337 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -30.265 0.605 24.014 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -30.007 -0.574 25.304 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -26.721 0.478 25.997 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -28.016 -0.646 26.418 1.00 0.00 H new ATOM 274 N GLU A 20 -26.276 5.860 21.520 1.00 0.00 N ATOM 275 CA GLU A 20 -25.802 7.109 22.145 1.00 0.00 C ATOM 276 C GLU A 20 -25.448 6.930 23.629 1.00 0.00 C ATOM 277 O GLU A 20 -25.132 7.902 24.325 1.00 0.00 O ATOM 278 CB GLU A 20 -26.848 8.229 22.005 1.00 0.00 C ATOM 279 CG GLU A 20 -27.273 8.537 20.574 1.00 0.00 C ATOM 280 CD GLU A 20 -28.463 7.710 20.105 1.00 0.00 C ATOM 281 OE1 GLU A 20 -28.614 6.553 20.550 1.00 0.00 O ATOM 282 OE2 GLU A 20 -29.264 8.225 19.294 1.00 0.00 O ATOM 0 H GLU A 20 -27.265 5.871 21.270 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.893 7.387 21.612 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -27.732 7.954 22.580 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -26.447 9.138 22.453 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -27.522 9.595 20.497 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -26.430 8.359 19.906 1.00 0.00 H new ATOM 289 N ALA A 21 -25.515 5.711 24.111 1.00 0.00 N ATOM 290 CA ALA A 21 -25.197 5.425 25.494 1.00 0.00 C ATOM 291 C ALA A 21 -23.766 4.899 25.636 1.00 0.00 C ATOM 292 O ALA A 21 -23.318 4.583 26.743 1.00 0.00 O ATOM 293 CB ALA A 21 -26.197 4.433 26.066 1.00 0.00 C ATOM 0 H ALA A 21 -25.789 4.895 23.563 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.263 6.354 26.060 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -25.948 4.225 27.107 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.201 4.855 26.010 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.160 3.507 25.492 1.00 0.00 H new ATOM 299 N ILE A 22 -23.049 4.800 24.517 1.00 0.00 N ATOM 300 CA ILE A 22 -21.677 4.278 24.538 1.00 0.00 C ATOM 301 C ILE A 22 -20.674 5.305 24.012 1.00 0.00 C ATOM 302 O ILE A 22 -19.501 4.982 23.825 1.00 0.00 O ATOM 303 CB ILE A 22 -21.522 3.013 23.660 1.00 0.00 C ATOM 304 CG1 ILE A 22 -21.725 3.365 22.179 1.00 0.00 C ATOM 305 CG2 ILE A 22 -22.506 1.930 24.089 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.153 2.348 21.231 1.00 0.00 C ATOM 0 H ILE A 22 -23.387 5.070 23.593 1.00 0.00 H new ATOM 0 HA ILE A 22 -21.476 4.041 25.583 1.00 0.00 H new ATOM 0 HB ILE A 22 -20.512 2.626 23.793 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -22.792 3.471 21.983 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -21.266 4.333 21.979 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.378 1.051 23.457 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.320 1.660 25.128 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -23.525 2.304 23.988 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.335 2.665 20.204 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.080 2.258 21.398 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -21.629 1.383 21.402 1.00 0.00 H new ATOM 318 N THR A 23 -21.124 6.534 23.799 1.00 0.00 N ATOM 319 CA THR A 23 -20.289 7.550 23.157 1.00 0.00 C ATOM 320 C THR A 23 -18.998 7.809 23.900 1.00 0.00 C ATOM 321 O THR A 23 -17.942 7.833 23.296 1.00 0.00 O ATOM 322 CB THR A 23 -21.030 8.876 23.024 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.300 8.654 22.416 1.00 0.00 O ATOM 324 CG2 THR A 23 -20.213 9.874 22.199 1.00 0.00 C ATOM 0 H THR A 23 -22.057 6.854 24.058 1.00 0.00 H new ATOM 0 HA THR A 23 -20.052 7.145 22.173 1.00 0.00 H new ATOM 0 HB THR A 23 -21.176 9.299 24.018 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.688 9.512 22.145 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.761 10.813 22.117 1.00 0.00 H new ATOM 0 HG22 THR A 23 -19.256 10.054 22.689 1.00 0.00 H new ATOM 0 HG23 THR A 23 -20.040 9.467 21.203 1.00 0.00 H new ATOM 332 N LYS A 24 -19.076 7.973 25.199 1.00 0.00 N ATOM 333 CA LYS A 24 -17.903 8.300 25.983 1.00 0.00 C ATOM 334 C LYS A 24 -16.866 7.178 25.856 1.00 0.00 C ATOM 335 O LYS A 24 -15.664 7.426 25.778 1.00 0.00 O ATOM 336 CB LYS A 24 -18.276 8.478 27.461 1.00 0.00 C ATOM 337 CG LYS A 24 -19.657 9.084 27.711 1.00 0.00 C ATOM 338 CD LYS A 24 -19.881 10.413 27.003 1.00 0.00 C ATOM 339 CE LYS A 24 -21.278 10.936 27.326 1.00 0.00 C ATOM 340 NZ LYS A 24 -21.583 12.216 26.650 1.00 0.00 N ATOM 0 H LYS A 24 -19.938 7.886 25.738 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.485 9.234 25.607 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -18.228 7.506 27.952 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -17.527 9.112 27.935 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -20.419 8.376 27.385 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.793 9.227 28.783 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -19.129 11.136 27.319 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.769 10.286 25.926 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -22.017 10.190 27.032 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -21.371 11.069 28.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -22.492 12.583 26.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -20.831 12.905 26.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -21.640 12.061 25.623 1.00 0.00 H new ATOM 354 N GLN A 25 -17.358 5.948 25.816 1.00 0.00 N ATOM 355 CA GLN A 25 -16.524 4.783 25.769 1.00 0.00 C ATOM 356 C GLN A 25 -15.966 4.510 24.352 1.00 0.00 C ATOM 357 O GLN A 25 -14.752 4.477 24.155 1.00 0.00 O ATOM 358 CB GLN A 25 -17.332 3.587 26.238 1.00 0.00 C ATOM 359 CG GLN A 25 -16.490 2.409 26.619 1.00 0.00 C ATOM 360 CD GLN A 25 -17.313 1.221 27.054 1.00 0.00 C ATOM 361 OE1 GLN A 25 -18.424 1.374 27.554 1.00 0.00 O ATOM 362 NE2 GLN A 25 -16.772 0.031 26.874 1.00 0.00 N ATOM 0 H GLN A 25 -18.357 5.742 25.816 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.668 4.956 26.421 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.939 3.882 27.094 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.020 3.291 25.446 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -15.867 2.123 25.771 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -15.817 2.695 27.427 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.846 -0.050 26.454 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.280 -0.808 27.154 1.00 0.00 H new ATOM 371 N ILE A 26 -16.863 4.317 23.373 1.00 0.00 N ATOM 372 CA ILE A 26 -16.459 3.946 22.022 1.00 0.00 C ATOM 373 C ILE A 26 -15.678 5.064 21.327 1.00 0.00 C ATOM 374 O ILE A 26 -14.733 4.798 20.577 1.00 0.00 O ATOM 375 CB ILE A 26 -17.676 3.515 21.145 1.00 0.00 C ATOM 376 CG1 ILE A 26 -17.189 2.762 19.913 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.526 4.717 20.735 1.00 0.00 C ATOM 378 CD1 ILE A 26 -18.295 2.103 19.109 1.00 0.00 C ATOM 0 H ILE A 26 -17.871 4.413 23.499 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.797 3.087 22.130 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.306 2.856 21.742 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.649 3.455 19.267 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.478 1.998 20.226 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -19.364 4.379 20.125 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.904 5.216 21.627 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.917 5.414 20.160 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.864 1.589 18.250 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.821 1.383 19.736 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.995 2.863 18.763 1.00 0.00 H new ATOM 390 N LEU A 27 -16.065 6.311 21.587 1.00 0.00 N ATOM 391 CA LEU A 27 -15.419 7.448 20.964 1.00 0.00 C ATOM 392 C LEU A 27 -13.971 7.532 21.381 1.00 0.00 C ATOM 393 O LEU A 27 -13.139 7.866 20.585 1.00 0.00 O ATOM 394 CB LEU A 27 -16.167 8.758 21.259 1.00 0.00 C ATOM 395 CG LEU A 27 -15.654 10.023 20.547 1.00 0.00 C ATOM 396 CD1 LEU A 27 -16.797 10.997 20.332 1.00 0.00 C ATOM 397 CD2 LEU A 27 -14.543 10.698 21.356 1.00 0.00 C ATOM 0 H LEU A 27 -16.823 6.552 22.225 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.451 7.300 19.885 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -17.215 8.619 20.993 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.132 8.935 22.334 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.244 9.726 19.582 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.425 11.889 19.828 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -17.565 10.527 19.718 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.223 11.276 21.296 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.199 11.589 20.830 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.927 10.981 22.336 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.710 10.005 21.479 1.00 0.00 H new ATOM 409 N ALA A 28 -13.683 7.206 22.639 1.00 0.00 N ATOM 410 CA ALA A 28 -12.318 7.268 23.154 1.00 0.00 C ATOM 411 C ALA A 28 -11.350 6.458 22.281 1.00 0.00 C ATOM 412 O ALA A 28 -10.252 6.925 21.969 1.00 0.00 O ATOM 413 CB ALA A 28 -12.274 6.771 24.595 1.00 0.00 C ATOM 0 H ALA A 28 -14.376 6.896 23.320 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.998 8.310 23.127 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.251 6.823 24.967 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.917 7.396 25.215 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.623 5.739 24.635 1.00 0.00 H new ATOM 419 N TYR A 29 -11.754 5.250 21.896 1.00 0.00 N ATOM 420 CA TYR A 29 -10.916 4.406 21.041 1.00 0.00 C ATOM 421 C TYR A 29 -10.695 5.021 19.653 1.00 0.00 C ATOM 422 O TYR A 29 -9.564 5.141 19.188 1.00 0.00 O ATOM 423 CB TYR A 29 -11.516 2.998 20.881 1.00 0.00 C ATOM 424 CG TYR A 29 -10.761 2.158 19.865 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.622 1.450 20.221 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.175 2.105 18.540 1.00 0.00 C ATOM 427 CE1 TYR A 29 -8.918 0.717 19.281 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.486 1.370 17.601 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.360 0.682 17.972 1.00 0.00 C ATOM 430 OH TYR A 29 -8.661 -0.035 17.032 1.00 0.00 O ATOM 0 H TYR A 29 -12.648 4.834 22.158 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.951 4.333 21.542 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.507 2.491 21.846 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.559 3.083 20.575 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.280 1.471 21.245 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.056 2.652 18.240 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.029 0.176 19.569 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.831 1.336 16.578 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.711 -0.048 17.271 1.00 0.00 H new ATOM 440 N PHE A 30 -11.780 5.422 19.012 1.00 0.00 N ATOM 441 CA PHE A 30 -11.718 5.938 17.646 1.00 0.00 C ATOM 442 C PHE A 30 -11.303 7.390 17.612 1.00 0.00 C ATOM 443 O PHE A 30 -11.053 7.947 16.542 1.00 0.00 O ATOM 444 CB PHE A 30 -13.056 5.754 16.931 1.00 0.00 C ATOM 445 CG PHE A 30 -13.384 4.318 16.609 1.00 0.00 C ATOM 446 CD1 PHE A 30 -12.900 3.726 15.451 1.00 0.00 C ATOM 447 CD2 PHE A 30 -14.178 3.564 17.460 1.00 0.00 C ATOM 448 CE1 PHE A 30 -13.200 2.406 15.146 1.00 0.00 C ATOM 449 CE2 PHE A 30 -14.481 2.246 17.160 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.992 1.667 16.004 1.00 0.00 C ATOM 0 H PHE A 30 -12.718 5.402 19.412 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.957 5.361 17.120 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.849 6.167 17.554 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.045 6.330 16.006 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.281 4.301 14.778 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.564 4.009 18.365 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.816 1.958 14.241 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -15.101 1.670 17.831 1.00 0.00 H new ATOM 0 HZ PHE A 30 -14.228 0.639 15.772 1.00 0.00 H new ATOM 460 N ALA A 31 -11.221 7.995 18.788 1.00 0.00 N ATOM 461 CA ALA A 31 -10.858 9.392 18.928 1.00 0.00 C ATOM 462 C ALA A 31 -9.498 9.662 18.327 1.00 0.00 C ATOM 463 O ALA A 31 -9.192 10.783 17.963 1.00 0.00 O ATOM 464 CB ALA A 31 -10.881 9.814 20.384 1.00 0.00 C ATOM 0 H ALA A 31 -11.406 7.526 19.675 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.597 9.982 18.385 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.605 10.866 20.462 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.883 9.670 20.789 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.171 9.210 20.949 1.00 0.00 H new ATOM 470 N GLN A 32 -8.685 8.614 18.236 1.00 0.00 N ATOM 471 CA GLN A 32 -7.370 8.700 17.627 1.00 0.00 C ATOM 472 C GLN A 32 -7.498 9.169 16.183 1.00 0.00 C ATOM 473 O GLN A 32 -6.611 9.827 15.640 1.00 0.00 O ATOM 474 CB GLN A 32 -6.690 7.321 17.662 1.00 0.00 C ATOM 475 CG GLN A 32 -5.320 7.290 17.000 1.00 0.00 C ATOM 476 CD GLN A 32 -4.321 8.184 17.697 1.00 0.00 C ATOM 477 OE1 GLN A 32 -4.357 8.343 18.916 1.00 0.00 O ATOM 478 NE2 GLN A 32 -3.434 8.782 16.933 1.00 0.00 N ATOM 0 H GLN A 32 -8.922 7.685 18.583 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.766 9.415 18.185 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.588 7.004 18.700 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.337 6.595 17.169 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.945 6.266 16.995 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.416 7.599 15.959 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.439 8.623 15.926 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.741 9.405 17.348 1.00 0.00 H new ATOM 487 N PHE A 33 -8.610 8.823 15.575 1.00 0.00 N ATOM 488 CA PHE A 33 -8.860 9.160 14.202 1.00 0.00 C ATOM 489 C PHE A 33 -9.833 10.343 14.106 1.00 0.00 C ATOM 490 O PHE A 33 -9.600 11.290 13.354 1.00 0.00 O ATOM 491 CB PHE A 33 -9.429 7.942 13.472 1.00 0.00 C ATOM 492 CG PHE A 33 -8.610 6.685 13.658 1.00 0.00 C ATOM 493 CD1 PHE A 33 -7.445 6.480 12.937 1.00 0.00 C ATOM 494 CD2 PHE A 33 -9.010 5.713 14.568 1.00 0.00 C ATOM 495 CE1 PHE A 33 -6.696 5.331 13.117 1.00 0.00 C ATOM 496 CE2 PHE A 33 -8.264 4.565 14.750 1.00 0.00 C ATOM 497 CZ PHE A 33 -7.105 4.375 14.023 1.00 0.00 C ATOM 0 H PHE A 33 -9.363 8.300 16.023 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.921 9.454 13.732 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.444 7.759 13.825 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.497 8.166 12.408 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.118 7.225 12.227 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.915 5.857 15.139 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.790 5.182 12.548 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.586 3.817 15.459 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.520 3.478 14.164 1.00 0.00 H new ATOM 507 N GLY A 34 -10.913 10.285 14.889 1.00 0.00 N ATOM 508 CA GLY A 34 -11.914 11.344 14.875 1.00 0.00 C ATOM 509 C GLY A 34 -13.005 11.116 15.913 1.00 0.00 C ATOM 510 O GLY A 34 -12.828 10.328 16.836 1.00 0.00 O ATOM 0 H GLY A 34 -11.112 9.521 15.534 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.430 12.302 15.063 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.364 11.404 13.884 1.00 0.00 H new ATOM 514 N GLU A 35 -14.127 11.809 15.763 1.00 0.00 N ATOM 515 CA GLU A 35 -15.251 11.670 16.690 1.00 0.00 C ATOM 516 C GLU A 35 -16.421 10.972 16.006 1.00 0.00 C ATOM 517 O GLU A 35 -16.525 10.987 14.777 1.00 0.00 O ATOM 518 CB GLU A 35 -15.661 13.027 17.247 1.00 0.00 C ATOM 519 CG GLU A 35 -14.603 13.642 18.148 1.00 0.00 C ATOM 520 CD GLU A 35 -14.993 14.998 18.686 1.00 0.00 C ATOM 521 OE1 GLU A 35 -16.158 15.388 18.529 1.00 0.00 O ATOM 522 OE2 GLU A 35 -14.117 15.672 19.276 1.00 0.00 O ATOM 0 H GLU A 35 -14.286 12.475 15.007 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.936 11.051 17.530 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.866 13.707 16.420 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.589 12.918 17.808 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.411 12.969 18.983 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.670 13.734 17.592 1.00 0.00 H new ATOM 529 N ILE A 36 -17.298 10.348 16.797 1.00 0.00 N ATOM 530 CA ILE A 36 -18.384 9.554 16.230 1.00 0.00 C ATOM 531 C ILE A 36 -19.770 10.142 16.531 1.00 0.00 C ATOM 532 O ILE A 36 -20.545 10.421 15.616 1.00 0.00 O ATOM 533 CB ILE A 36 -18.307 8.087 16.723 1.00 0.00 C ATOM 534 CG1 ILE A 36 -16.904 7.546 16.456 1.00 0.00 C ATOM 535 CG2 ILE A 36 -19.348 7.236 16.002 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.627 6.224 17.106 1.00 0.00 C ATOM 0 H ILE A 36 -17.277 10.378 17.816 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.253 9.578 15.148 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.514 8.049 17.793 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.763 7.447 15.380 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.172 8.273 16.808 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.285 6.207 16.356 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -20.344 7.630 16.205 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -19.160 7.263 14.929 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.611 5.908 16.869 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.734 6.320 18.186 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.334 5.481 16.736 1.00 0.00 H new ATOM 548 N LEU A 37 -20.083 10.318 17.809 1.00 0.00 N ATOM 549 CA LEU A 37 -21.391 10.847 18.205 1.00 0.00 C ATOM 550 C LEU A 37 -21.278 12.290 18.691 1.00 0.00 C ATOM 551 O LEU A 37 -20.182 12.835 18.764 1.00 0.00 O ATOM 552 CB LEU A 37 -22.066 9.971 19.269 1.00 0.00 C ATOM 553 CG LEU A 37 -22.408 8.532 18.856 1.00 0.00 C ATOM 554 CD1 LEU A 37 -21.212 7.611 19.030 1.00 0.00 C ATOM 555 CD2 LEU A 37 -23.592 8.022 19.648 1.00 0.00 C ATOM 0 H LEU A 37 -19.458 10.105 18.586 1.00 0.00 H new ATOM 0 HA LEU A 37 -22.022 10.831 17.317 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.413 9.930 20.141 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.986 10.464 19.583 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.673 8.539 17.799 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -21.485 6.599 18.730 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -20.388 7.964 18.410 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.904 7.608 20.076 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -23.821 7.001 19.343 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.353 8.038 20.711 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -24.456 8.659 19.461 1.00 0.00 H new ATOM 567 N GLU A 38 -22.415 12.895 19.041 1.00 0.00 N ATOM 568 CA GLU A 38 -22.444 14.311 19.410 1.00 0.00 C ATOM 569 C GLU A 38 -22.288 14.569 20.916 1.00 0.00 C ATOM 570 O GLU A 38 -21.930 15.677 21.319 1.00 0.00 O ATOM 571 CB GLU A 38 -23.726 14.968 18.907 1.00 0.00 C ATOM 572 CG GLU A 38 -23.870 14.959 17.396 1.00 0.00 C ATOM 573 CD GLU A 38 -25.081 15.729 16.929 1.00 0.00 C ATOM 574 OE1 GLU A 38 -26.170 15.130 16.821 1.00 0.00 O ATOM 575 OE2 GLU A 38 -24.950 16.939 16.666 1.00 0.00 O ATOM 0 H GLU A 38 -23.322 12.430 19.077 1.00 0.00 H new ATOM 0 HA GLU A 38 -21.574 14.757 18.928 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.582 14.456 19.347 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -23.756 15.999 19.259 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -22.975 15.388 16.946 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -23.941 13.929 17.047 1.00 0.00 H new ATOM 582 N ASP A 39 -22.544 13.577 21.741 1.00 0.00 N ATOM 583 CA ASP A 39 -22.469 13.787 23.187 1.00 0.00 C ATOM 584 C ASP A 39 -21.059 13.528 23.715 1.00 0.00 C ATOM 585 O ASP A 39 -20.669 12.387 23.969 1.00 0.00 O ATOM 586 CB ASP A 39 -23.517 12.938 23.937 1.00 0.00 C ATOM 587 CG ASP A 39 -23.366 11.447 23.717 1.00 0.00 C ATOM 588 OD1 ASP A 39 -23.532 10.990 22.567 1.00 0.00 O ATOM 589 OD2 ASP A 39 -23.093 10.726 24.700 1.00 0.00 O ATOM 0 H ASP A 39 -22.801 12.633 21.453 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.703 14.835 23.377 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.445 13.148 25.004 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.514 13.244 23.619 1.00 0.00 H new ATOM 594 N LEU A 40 -20.305 14.592 23.907 1.00 0.00 N ATOM 595 CA LEU A 40 -18.946 14.480 24.323 1.00 0.00 C ATOM 596 C LEU A 40 -18.574 15.615 25.265 1.00 0.00 C ATOM 597 O LEU A 40 -18.625 16.792 24.903 1.00 0.00 O ATOM 598 CB LEU A 40 -18.024 14.463 23.106 1.00 0.00 C ATOM 599 CG LEU A 40 -16.567 14.144 23.395 1.00 0.00 C ATOM 600 CD1 LEU A 40 -16.447 12.819 24.140 1.00 0.00 C ATOM 601 CD2 LEU A 40 -15.797 14.080 22.099 1.00 0.00 C ATOM 0 H LEU A 40 -20.628 15.551 23.776 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.825 13.542 24.865 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.404 13.730 22.394 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -18.075 15.437 22.619 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.152 14.931 24.024 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.396 12.607 24.338 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.989 12.882 25.084 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.870 12.020 23.531 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.752 13.851 22.308 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.219 13.302 21.463 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.863 15.041 21.589 1.00 0.00 H new ATOM 613 N GLU A 41 -18.253 15.252 26.476 1.00 0.00 N ATOM 614 CA GLU A 41 -17.813 16.200 27.495 1.00 0.00 C ATOM 615 C GLU A 41 -16.401 15.842 27.930 1.00 0.00 C ATOM 616 O GLU A 41 -16.152 14.702 28.316 1.00 0.00 O ATOM 617 CB GLU A 41 -18.737 16.170 28.728 1.00 0.00 C ATOM 618 CG GLU A 41 -20.228 16.315 28.429 1.00 0.00 C ATOM 619 CD GLU A 41 -20.820 15.071 27.807 1.00 0.00 C ATOM 620 OE1 GLU A 41 -20.539 13.960 28.300 1.00 0.00 O ATOM 621 OE2 GLU A 41 -21.558 15.193 26.812 1.00 0.00 O ATOM 0 H GLU A 41 -18.285 14.285 26.799 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.844 17.201 27.065 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -18.579 15.230 29.257 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.439 16.971 29.405 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.760 16.543 29.353 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -20.380 17.160 27.757 1.00 0.00 H new ATOM 628 N SER A 42 -15.497 16.824 27.886 1.00 0.00 N ATOM 629 CA SER A 42 -14.071 16.639 28.233 1.00 0.00 C ATOM 630 C SER A 42 -13.461 15.424 27.511 1.00 0.00 C ATOM 631 O SER A 42 -13.536 14.285 27.988 1.00 0.00 O ATOM 632 CB SER A 42 -13.860 16.563 29.764 1.00 0.00 C ATOM 633 OG SER A 42 -14.639 15.540 30.362 1.00 0.00 O ATOM 0 H SER A 42 -15.727 17.778 27.608 1.00 0.00 H new ATOM 0 HA SER A 42 -13.537 17.521 27.879 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.806 16.385 29.975 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.117 17.522 30.213 1.00 0.00 H new ATOM 0 HG SER A 42 -14.957 14.924 29.669 1.00 0.00 H new ATOM 639 N GLU A 43 -12.845 15.682 26.378 1.00 0.00 N ATOM 640 CA GLU A 43 -12.324 14.658 25.537 1.00 0.00 C ATOM 641 C GLU A 43 -10.831 14.824 25.343 1.00 0.00 C ATOM 642 O GLU A 43 -10.357 15.780 24.721 1.00 0.00 O ATOM 643 CB GLU A 43 -13.078 14.619 24.190 1.00 0.00 C ATOM 644 CG GLU A 43 -13.008 15.904 23.348 1.00 0.00 C ATOM 645 CD GLU A 43 -13.569 17.131 24.054 1.00 0.00 C ATOM 646 OE1 GLU A 43 -14.803 17.260 24.148 1.00 0.00 O ATOM 647 OE2 GLU A 43 -12.758 17.962 24.541 1.00 0.00 O ATOM 0 H GLU A 43 -12.696 16.626 26.021 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.481 13.697 26.027 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.681 13.796 23.596 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.126 14.393 24.388 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.969 16.095 23.078 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.556 15.749 22.418 1.00 0.00 H new ATOM 654 N LEU A 44 -10.118 13.882 25.900 1.00 0.00 N ATOM 655 CA LEU A 44 -8.675 13.806 25.866 1.00 0.00 C ATOM 656 C LEU A 44 -8.065 15.060 26.493 1.00 0.00 C ATOM 657 O LEU A 44 -7.743 16.023 25.797 1.00 0.00 O ATOM 658 CB LEU A 44 -8.153 13.604 24.440 1.00 0.00 C ATOM 659 CG LEU A 44 -8.940 12.613 23.564 1.00 0.00 C ATOM 660 CD1 LEU A 44 -8.402 12.615 22.149 1.00 0.00 C ATOM 661 CD2 LEU A 44 -8.891 11.207 24.143 1.00 0.00 C ATOM 0 H LEU A 44 -10.543 13.110 26.414 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.372 12.937 26.449 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.143 14.572 23.938 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.119 13.264 24.498 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.981 12.936 23.547 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.970 11.909 21.543 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.496 13.615 21.725 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.352 12.323 22.159 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.456 10.530 23.502 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.855 10.873 24.200 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.327 11.209 25.142 1.00 0.00 H new ATOM 673 N GLY A 45 -7.926 15.041 27.819 1.00 0.00 N ATOM 674 CA GLY A 45 -7.407 16.192 28.539 1.00 0.00 C ATOM 675 C GLY A 45 -6.014 16.571 28.104 1.00 0.00 C ATOM 676 O GLY A 45 -5.694 17.754 27.971 1.00 0.00 O ATOM 0 H GLY A 45 -8.165 14.244 28.409 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.074 17.041 28.388 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.403 15.976 29.607 1.00 0.00 H new ATOM 680 N ASP A 46 -5.185 15.577 27.889 1.00 0.00 N ATOM 681 CA ASP A 46 -3.823 15.807 27.445 1.00 0.00 C ATOM 682 C ASP A 46 -3.542 15.044 26.194 1.00 0.00 C ATOM 683 O ASP A 46 -4.228 14.064 25.888 1.00 0.00 O ATOM 684 CB ASP A 46 -2.801 15.439 28.526 1.00 0.00 C ATOM 685 CG ASP A 46 -2.827 16.378 29.703 1.00 0.00 C ATOM 686 OD1 ASP A 46 -2.363 17.529 29.559 1.00 0.00 O ATOM 687 OD2 ASP A 46 -3.302 15.973 30.784 1.00 0.00 O ATOM 0 H ASP A 46 -5.428 14.594 28.014 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.725 16.874 27.242 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.997 14.424 28.873 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.802 15.440 28.090 1.00 0.00 H new ATOM 692 N THR A 47 -2.545 15.510 25.445 1.00 0.00 N ATOM 693 CA THR A 47 -2.106 14.863 24.225 1.00 0.00 C ATOM 694 C THR A 47 -3.068 15.093 23.053 1.00 0.00 C ATOM 695 O THR A 47 -2.635 15.461 21.959 1.00 0.00 O ATOM 696 CB THR A 47 -1.904 13.348 24.457 1.00 0.00 C ATOM 697 OG1 THR A 47 -0.982 13.138 25.538 1.00 0.00 O ATOM 698 CG2 THR A 47 -1.393 12.664 23.203 1.00 0.00 C ATOM 0 H THR A 47 -2.020 16.354 25.675 1.00 0.00 H new ATOM 0 HA THR A 47 -1.154 15.320 23.954 1.00 0.00 H new ATOM 0 HB THR A 47 -2.870 12.912 24.712 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.859 12.176 25.681 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.261 11.600 23.397 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.113 12.799 22.396 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.438 13.101 22.914 1.00 0.00 H new ATOM 706 N GLU A 48 -4.374 14.884 23.290 1.00 0.00 N ATOM 707 CA GLU A 48 -5.392 14.958 22.256 1.00 0.00 C ATOM 708 C GLU A 48 -5.109 13.951 21.147 1.00 0.00 C ATOM 709 O GLU A 48 -5.719 13.993 20.084 1.00 0.00 O ATOM 710 CB GLU A 48 -5.515 16.360 21.704 1.00 0.00 C ATOM 711 CG GLU A 48 -6.046 17.374 22.703 1.00 0.00 C ATOM 712 CD GLU A 48 -6.182 18.753 22.105 1.00 0.00 C ATOM 713 OE1 GLU A 48 -5.205 19.525 22.154 1.00 0.00 O ATOM 714 OE2 GLU A 48 -7.269 19.074 21.586 1.00 0.00 O ATOM 0 H GLU A 48 -4.744 14.658 24.213 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.350 14.701 22.709 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.536 16.689 21.354 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.174 16.341 20.836 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.017 17.043 23.071 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.377 17.418 23.563 1.00 0.00 H new ATOM 721 N THR A 49 -4.155 13.057 21.433 1.00 0.00 N ATOM 722 CA THR A 49 -3.759 11.945 20.561 1.00 0.00 C ATOM 723 C THR A 49 -3.495 12.369 19.109 1.00 0.00 C ATOM 724 O THR A 49 -3.556 11.538 18.200 1.00 0.00 O ATOM 725 CB THR A 49 -4.810 10.802 20.626 1.00 0.00 C ATOM 726 OG1 THR A 49 -6.079 11.245 20.126 1.00 0.00 O ATOM 727 CG2 THR A 49 -4.974 10.338 22.068 1.00 0.00 C ATOM 0 H THR A 49 -3.622 13.088 22.302 1.00 0.00 H new ATOM 0 HA THR A 49 -2.806 11.578 20.942 1.00 0.00 H new ATOM 0 HB THR A 49 -4.458 9.977 20.006 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.031 12.200 19.913 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.712 9.537 22.111 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.018 9.972 22.443 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.310 11.173 22.683 1.00 0.00 H new ATOM 735 N MET A 50 -3.151 13.671 18.919 1.00 0.00 N ATOM 736 CA MET A 50 -2.887 14.268 17.603 1.00 0.00 C ATOM 737 C MET A 50 -3.906 13.806 16.544 1.00 0.00 C ATOM 738 O MET A 50 -3.574 13.595 15.372 1.00 0.00 O ATOM 739 CB MET A 50 -1.440 14.005 17.169 1.00 0.00 C ATOM 740 CG MET A 50 -1.128 12.568 16.765 1.00 0.00 C ATOM 741 SD MET A 50 0.594 12.331 16.287 1.00 0.00 S ATOM 742 CE MET A 50 0.568 10.594 15.857 1.00 0.00 C ATOM 0 H MET A 50 -3.051 14.333 19.689 1.00 0.00 H new ATOM 0 HA MET A 50 -3.013 15.347 17.695 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.206 14.659 16.329 1.00 0.00 H new ATOM 0 HB3 MET A 50 -0.777 14.287 17.987 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.364 11.903 17.596 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.773 12.281 15.934 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.563 10.283 15.537 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.267 10.009 16.726 1.00 0.00 H new ATOM 0 HE3 MET A 50 -0.141 10.431 15.046 1.00 0.00 H new ATOM 752 N ARG A 51 -5.146 13.697 16.982 1.00 0.00 N ATOM 753 CA ARG A 51 -6.248 13.236 16.153 1.00 0.00 C ATOM 754 C ARG A 51 -6.637 14.257 15.082 1.00 0.00 C ATOM 755 O ARG A 51 -6.292 15.437 15.181 1.00 0.00 O ATOM 756 CB ARG A 51 -7.458 12.940 17.033 1.00 0.00 C ATOM 757 CG ARG A 51 -7.850 14.094 17.954 1.00 0.00 C ATOM 758 CD ARG A 51 -9.128 13.804 18.704 1.00 0.00 C ATOM 759 NE ARG A 51 -9.460 14.874 19.648 1.00 0.00 N ATOM 760 CZ ARG A 51 -10.705 15.253 19.937 1.00 0.00 C ATOM 761 NH1 ARG A 51 -11.727 14.709 19.300 1.00 0.00 N ATOM 762 NH2 ARG A 51 -10.925 16.183 20.857 1.00 0.00 N ATOM 0 H ARG A 51 -5.422 13.929 17.936 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.917 12.332 15.642 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.307 12.692 16.396 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.247 12.059 17.640 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.046 14.281 18.665 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.972 15.003 17.365 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.946 13.679 17.994 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.027 12.862 19.243 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.692 15.358 20.112 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.564 13.999 18.587 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.679 15.000 19.522 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.140 16.612 21.347 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.879 16.470 21.074 1.00 0.00 H new ATOM 776 N THR A 52 -7.380 13.776 14.066 1.00 0.00 N ATOM 777 CA THR A 52 -7.871 14.615 12.962 1.00 0.00 C ATOM 778 C THR A 52 -6.721 15.028 12.011 1.00 0.00 C ATOM 779 O THR A 52 -5.634 15.410 12.455 1.00 0.00 O ATOM 780 CB THR A 52 -8.581 15.894 13.505 1.00 0.00 C ATOM 781 OG1 THR A 52 -9.493 15.535 14.551 1.00 0.00 O ATOM 782 CG2 THR A 52 -9.349 16.614 12.403 1.00 0.00 C ATOM 0 H THR A 52 -7.655 12.797 13.990 1.00 0.00 H new ATOM 0 HA THR A 52 -8.590 14.018 12.402 1.00 0.00 H new ATOM 0 HB THR A 52 -7.812 16.565 13.888 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.935 16.341 14.890 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.832 17.500 12.815 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.659 16.911 11.613 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.106 15.947 11.992 1.00 0.00 H new ATOM 790 N PRO A 53 -6.952 14.957 10.678 1.00 0.00 N ATOM 791 CA PRO A 53 -5.952 15.362 9.669 1.00 0.00 C ATOM 792 C PRO A 53 -5.737 16.885 9.634 1.00 0.00 C ATOM 793 O PRO A 53 -5.164 17.426 8.686 1.00 0.00 O ATOM 794 CB PRO A 53 -6.562 14.879 8.349 1.00 0.00 C ATOM 795 CG PRO A 53 -8.029 14.817 8.608 1.00 0.00 C ATOM 796 CD PRO A 53 -8.185 14.438 10.050 1.00 0.00 C ATOM 0 HA PRO A 53 -4.969 14.941 9.880 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.333 15.564 7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.169 13.903 8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.501 15.778 8.405 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.508 14.084 7.959 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.077 14.885 10.488 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.275 13.359 10.174 1.00 0.00 H new ATOM 804 N GLY A 54 -6.209 17.551 10.663 1.00 0.00 N ATOM 805 CA GLY A 54 -6.054 18.979 10.770 1.00 0.00 C ATOM 806 C GLY A 54 -5.524 19.379 12.127 1.00 0.00 C ATOM 807 O GLY A 54 -5.596 20.548 12.505 1.00 0.00 O ATOM 0 H GLY A 54 -6.707 17.120 11.442 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.374 19.331 9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.014 19.464 10.596 1.00 0.00 H new ATOM 811 N TYR A 55 -5.006 18.380 12.871 1.00 0.00 N ATOM 812 CA TYR A 55 -4.424 18.570 14.223 1.00 0.00 C ATOM 813 C TYR A 55 -5.503 18.836 15.275 1.00 0.00 C ATOM 814 O TYR A 55 -5.436 18.321 16.387 1.00 0.00 O ATOM 815 CB TYR A 55 -3.381 19.703 14.240 1.00 0.00 C ATOM 816 CG TYR A 55 -2.162 19.442 13.384 1.00 0.00 C ATOM 817 CD1 TYR A 55 -2.141 19.809 12.044 1.00 0.00 C ATOM 818 CD2 TYR A 55 -1.036 18.838 13.916 1.00 0.00 C ATOM 819 CE1 TYR A 55 -1.035 19.576 11.261 1.00 0.00 C ATOM 820 CE2 TYR A 55 0.078 18.600 13.138 1.00 0.00 C ATOM 821 CZ TYR A 55 0.073 18.970 11.812 1.00 0.00 C ATOM 822 OH TYR A 55 1.180 18.728 11.031 1.00 0.00 O ATOM 0 H TYR A 55 -4.978 17.412 12.552 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.922 17.636 14.477 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.857 20.624 13.902 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.059 19.869 15.268 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.008 20.285 11.610 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.029 18.549 14.956 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.035 19.866 10.221 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.949 18.126 13.567 1.00 0.00 H new ATOM 0 HH TYR A 55 1.874 18.296 11.572 1.00 0.00 H new ATOM 832 N PHE A 56 -6.483 19.636 14.914 1.00 0.00 N ATOM 833 CA PHE A 56 -7.557 19.992 15.814 1.00 0.00 C ATOM 834 C PHE A 56 -8.899 19.710 15.166 1.00 0.00 C ATOM 835 O PHE A 56 -9.008 19.662 13.939 1.00 0.00 O ATOM 836 CB PHE A 56 -7.455 21.471 16.206 1.00 0.00 C ATOM 837 CG PHE A 56 -6.172 21.816 16.913 1.00 0.00 C ATOM 838 CD1 PHE A 56 -6.041 21.609 18.277 1.00 0.00 C ATOM 839 CD2 PHE A 56 -5.096 22.343 16.211 1.00 0.00 C ATOM 840 CE1 PHE A 56 -4.864 21.919 18.929 1.00 0.00 C ATOM 841 CE2 PHE A 56 -3.919 22.655 16.857 1.00 0.00 C ATOM 842 CZ PHE A 56 -3.802 22.443 18.219 1.00 0.00 C ATOM 0 H PHE A 56 -6.557 20.058 13.988 1.00 0.00 H new ATOM 0 HA PHE A 56 -7.471 19.387 16.717 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.543 22.084 15.309 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.296 21.727 16.850 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.869 21.200 18.837 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.182 22.510 15.148 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.774 21.752 19.992 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.089 23.065 16.300 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.881 22.687 18.727 1.00 0.00 H new ATOM 852 N PHE A 57 -9.906 19.510 15.988 1.00 0.00 N ATOM 853 CA PHE A 57 -11.238 19.202 15.509 1.00 0.00 C ATOM 854 C PHE A 57 -12.051 20.483 15.312 1.00 0.00 C ATOM 855 O PHE A 57 -12.198 21.294 16.231 1.00 0.00 O ATOM 856 CB PHE A 57 -11.935 18.223 16.482 1.00 0.00 C ATOM 857 CG PHE A 57 -12.106 18.723 17.870 1.00 0.00 C ATOM 858 CD1 PHE A 57 -11.047 18.726 18.740 1.00 0.00 C ATOM 859 CD2 PHE A 57 -13.328 19.190 18.301 1.00 0.00 C ATOM 860 CE1 PHE A 57 -11.196 19.182 20.014 1.00 0.00 C ATOM 861 CE2 PHE A 57 -13.490 19.648 19.577 1.00 0.00 C ATOM 862 CZ PHE A 57 -12.419 19.646 20.444 1.00 0.00 C ATOM 0 H PHE A 57 -9.826 19.556 17.004 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.165 18.715 14.537 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.917 17.974 16.079 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.360 17.298 16.515 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.084 18.363 18.411 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.168 19.194 17.622 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.353 19.180 20.689 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.453 20.010 19.905 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.538 20.006 21.455 1.00 0.00 H new ATOM 872 N GLN A 58 -12.552 20.672 14.102 1.00 0.00 N ATOM 873 CA GLN A 58 -13.313 21.867 13.775 1.00 0.00 C ATOM 874 C GLN A 58 -14.812 21.587 13.810 1.00 0.00 C ATOM 875 O GLN A 58 -15.367 20.960 12.897 1.00 0.00 O ATOM 876 CB GLN A 58 -12.905 22.400 12.394 1.00 0.00 C ATOM 877 CG GLN A 58 -13.580 23.711 12.004 1.00 0.00 C ATOM 878 CD GLN A 58 -13.199 24.857 12.919 1.00 0.00 C ATOM 879 OE1 GLN A 58 -13.858 25.108 13.931 1.00 0.00 O ATOM 880 NE2 GLN A 58 -12.136 25.554 12.577 1.00 0.00 N ATOM 0 H GLN A 58 -12.446 20.014 13.330 1.00 0.00 H new ATOM 0 HA GLN A 58 -13.090 22.625 14.526 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.824 22.542 12.377 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -13.140 21.646 11.642 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.309 23.964 10.979 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.662 23.579 12.025 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.619 25.313 11.732 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -11.830 26.335 13.158 1.00 0.00 H new ATOM 889 N GLN A 59 -15.454 22.045 14.866 1.00 0.00 N ATOM 890 CA GLN A 59 -16.877 21.899 15.037 1.00 0.00 C ATOM 891 C GLN A 59 -17.363 22.944 16.024 1.00 0.00 C ATOM 892 O GLN A 59 -16.648 23.293 16.969 1.00 0.00 O ATOM 893 CB GLN A 59 -17.243 20.465 15.466 1.00 0.00 C ATOM 894 CG GLN A 59 -16.567 19.983 16.740 1.00 0.00 C ATOM 895 CD GLN A 59 -16.517 18.472 16.816 1.00 0.00 C ATOM 896 OE1 GLN A 59 -16.440 17.789 15.789 1.00 0.00 O ATOM 897 NE2 GLN A 59 -16.552 17.944 18.020 1.00 0.00 N ATOM 0 H GLN A 59 -14.994 22.533 15.634 1.00 0.00 H new ATOM 0 HA GLN A 59 -17.382 22.064 14.085 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.323 20.407 15.601 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -16.986 19.783 14.656 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -15.554 20.382 16.787 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.103 20.372 17.605 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -16.616 18.547 18.840 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.515 16.931 18.134 1.00 0.00 H new ATOM 906 N ALA A 60 -18.545 23.460 15.792 1.00 0.00 N ATOM 907 CA ALA A 60 -19.079 24.544 16.603 1.00 0.00 C ATOM 908 C ALA A 60 -20.160 24.074 17.575 1.00 0.00 C ATOM 909 O ALA A 60 -21.054 23.315 17.206 1.00 0.00 O ATOM 910 CB ALA A 60 -19.619 25.651 15.706 1.00 0.00 C ATOM 0 H ALA A 60 -19.165 23.149 15.044 1.00 0.00 H new ATOM 0 HA ALA A 60 -18.257 24.930 17.206 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -20.016 26.457 16.322 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -18.815 26.036 15.079 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -20.413 25.253 15.074 1.00 0.00 H new ATOM 916 N PRO A 61 -20.089 24.541 18.840 1.00 0.00 N ATOM 917 CA PRO A 61 -21.076 24.208 19.878 1.00 0.00 C ATOM 918 C PRO A 61 -22.456 24.814 19.589 1.00 0.00 C ATOM 919 O PRO A 61 -23.456 24.436 20.207 1.00 0.00 O ATOM 920 CB PRO A 61 -20.479 24.820 21.151 1.00 0.00 C ATOM 921 CG PRO A 61 -19.574 25.896 20.668 1.00 0.00 C ATOM 922 CD PRO A 61 -19.015 25.407 19.367 1.00 0.00 C ATOM 0 HA PRO A 61 -21.246 23.133 19.945 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -21.258 25.220 21.800 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -19.933 24.075 21.730 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.116 26.832 20.533 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -18.778 26.090 21.387 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.794 26.231 18.689 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.087 24.854 19.510 1.00 0.00 H new ATOM 930 N ASN A 62 -22.506 25.755 18.653 1.00 0.00 N ATOM 931 CA ASN A 62 -23.765 26.413 18.286 1.00 0.00 C ATOM 932 C ASN A 62 -24.474 25.660 17.163 1.00 0.00 C ATOM 933 O ASN A 62 -25.567 26.041 16.738 1.00 0.00 O ATOM 934 CB ASN A 62 -23.507 27.863 17.867 1.00 0.00 C ATOM 935 CG ASN A 62 -23.058 28.739 19.024 1.00 0.00 C ATOM 936 OD1 ASN A 62 -23.434 28.514 20.173 1.00 0.00 O ATOM 937 ND2 ASN A 62 -22.246 29.738 18.729 1.00 0.00 N ATOM 0 H ASN A 62 -21.693 26.083 18.132 1.00 0.00 H new ATOM 0 HA ASN A 62 -24.414 26.407 19.162 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -22.746 27.881 17.087 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -24.417 28.279 17.434 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -21.908 30.356 19.467 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -21.957 29.892 17.763 1.00 0.00 H new ATOM 944 N ARG A 63 -23.843 24.600 16.690 1.00 0.00 N ATOM 945 CA ARG A 63 -24.396 23.750 15.645 1.00 0.00 C ATOM 946 C ARG A 63 -24.248 22.291 16.012 1.00 0.00 C ATOM 947 O ARG A 63 -23.937 21.962 17.160 1.00 0.00 O ATOM 948 CB ARG A 63 -23.721 24.025 14.294 1.00 0.00 C ATOM 949 CG ARG A 63 -24.372 25.138 13.498 1.00 0.00 C ATOM 950 CD ARG A 63 -25.743 24.704 12.990 1.00 0.00 C ATOM 951 NE ARG A 63 -26.452 25.794 12.313 1.00 0.00 N ATOM 952 CZ ARG A 63 -27.718 25.723 11.888 1.00 0.00 C ATOM 953 NH1 ARG A 63 -28.411 24.597 12.038 1.00 0.00 N ATOM 954 NH2 ARG A 63 -28.285 26.775 11.309 1.00 0.00 N ATOM 0 H ARG A 63 -22.926 24.301 17.021 1.00 0.00 H new ATOM 0 HA ARG A 63 -25.457 23.984 15.552 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -22.675 24.279 14.466 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -23.734 23.111 13.700 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -24.474 26.027 14.121 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -23.736 25.410 12.656 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -25.626 23.867 12.302 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -26.343 24.347 13.827 1.00 0.00 H new ATOM 0 HE ARG A 63 -25.946 26.665 12.155 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -27.977 23.786 12.478 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -29.376 24.545 11.713 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -27.755 27.638 11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -29.251 26.720 10.985 1.00 0.00 H new ATOM 968 N ARG A 64 -24.485 21.420 15.042 1.00 0.00 N ATOM 969 CA ARG A 64 -24.344 20.000 15.246 1.00 0.00 C ATOM 970 C ARG A 64 -22.897 19.697 15.571 1.00 0.00 C ATOM 971 O ARG A 64 -21.990 20.296 14.989 1.00 0.00 O ATOM 972 CB ARG A 64 -24.775 19.241 13.993 1.00 0.00 C ATOM 973 CG ARG A 64 -26.242 19.435 13.630 1.00 0.00 C ATOM 974 CD ARG A 64 -26.617 18.630 12.398 1.00 0.00 C ATOM 975 NE ARG A 64 -25.941 19.108 11.188 1.00 0.00 N ATOM 976 CZ ARG A 64 -25.835 18.380 10.055 1.00 0.00 C ATOM 977 NH1 ARG A 64 -26.391 17.170 9.979 1.00 0.00 N ATOM 978 NH2 ARG A 64 -25.181 18.861 9.003 1.00 0.00 N ATOM 0 H ARG A 64 -24.778 21.683 14.101 1.00 0.00 H new ATOM 0 HA ARG A 64 -24.980 19.682 16.072 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -24.157 19.563 13.154 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -24.584 18.178 14.140 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -26.869 19.133 14.469 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -26.437 20.492 13.450 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -26.364 17.582 12.562 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -27.696 18.678 12.251 1.00 0.00 H new ATOM 0 HE ARG A 64 -25.528 20.041 11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -26.899 16.791 10.778 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -26.309 16.624 9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -24.754 19.786 9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -25.106 18.305 8.151 1.00 0.00 H new ATOM 992 N ARG A 65 -22.674 18.797 16.509 1.00 0.00 N ATOM 993 CA ARG A 65 -21.328 18.481 16.936 1.00 0.00 C ATOM 994 C ARG A 65 -20.570 17.835 15.803 1.00 0.00 C ATOM 995 O ARG A 65 -19.406 18.131 15.571 1.00 0.00 O ATOM 996 CB ARG A 65 -21.354 17.568 18.142 1.00 0.00 C ATOM 997 CG ARG A 65 -22.106 18.147 19.330 1.00 0.00 C ATOM 998 CD ARG A 65 -21.458 19.414 19.843 1.00 0.00 C ATOM 999 NE ARG A 65 -22.134 19.914 21.037 1.00 0.00 N ATOM 1000 CZ ARG A 65 -22.987 20.943 21.061 1.00 0.00 C ATOM 1001 NH1 ARG A 65 -23.329 21.572 19.936 1.00 0.00 N ATOM 1002 NH2 ARG A 65 -23.517 21.325 22.211 1.00 0.00 N ATOM 0 H ARG A 65 -23.407 18.274 16.988 1.00 0.00 H new ATOM 0 HA ARG A 65 -20.823 19.405 17.219 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -21.813 16.620 17.860 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -20.330 17.349 18.443 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -23.136 18.357 19.041 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -22.144 17.409 20.131 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -20.410 19.221 20.071 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -21.480 20.177 19.064 1.00 0.00 H new ATOM 0 HE ARG A 65 -21.940 19.442 21.920 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -22.939 21.269 19.044 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -23.981 22.356 19.968 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -23.274 20.835 23.072 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -24.169 22.109 22.237 1.00 0.00 H new ATOM 1016 N ILE A 66 -21.249 16.973 15.082 1.00 0.00 N ATOM 1017 CA ILE A 66 -20.662 16.325 13.945 1.00 0.00 C ATOM 1018 C ILE A 66 -21.131 17.001 12.664 1.00 0.00 C ATOM 1019 O ILE A 66 -22.327 17.159 12.424 1.00 0.00 O ATOM 1020 CB ILE A 66 -20.970 14.800 13.926 1.00 0.00 C ATOM 1021 CG1 ILE A 66 -20.353 14.120 12.697 1.00 0.00 C ATOM 1022 CG2 ILE A 66 -22.466 14.538 14.005 1.00 0.00 C ATOM 1023 CD1 ILE A 66 -20.428 12.607 12.738 1.00 0.00 C ATOM 0 H ILE A 66 -22.216 16.707 15.269 1.00 0.00 H new ATOM 0 HA ILE A 66 -19.579 16.425 14.017 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.509 14.362 14.811 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.862 14.476 11.801 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.309 14.421 12.611 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -22.649 13.463 13.990 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -22.861 14.960 14.929 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -22.962 15.003 13.153 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -19.973 12.196 11.837 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.894 12.240 13.615 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -21.471 12.296 12.792 1.00 0.00 H new ATOM 1035 N SER A 67 -20.177 17.433 11.864 1.00 0.00 N ATOM 1036 CA SER A 67 -20.472 18.132 10.628 1.00 0.00 C ATOM 1037 C SER A 67 -20.867 17.162 9.517 1.00 0.00 C ATOM 1038 O SER A 67 -21.356 17.565 8.458 1.00 0.00 O ATOM 1039 CB SER A 67 -19.278 18.977 10.210 1.00 0.00 C ATOM 1040 OG SER A 67 -18.996 19.975 11.183 1.00 0.00 O ATOM 0 H SER A 67 -19.182 17.311 12.050 1.00 0.00 H new ATOM 0 HA SER A 67 -21.324 18.788 10.803 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.405 18.338 10.075 1.00 0.00 H new ATOM 0 HB3 SER A 67 -19.480 19.448 9.248 1.00 0.00 H new ATOM 0 HG SER A 67 -18.224 20.505 10.894 1.00 0.00 H new ATOM 1046 N ARG A 68 -20.625 15.895 9.763 1.00 0.00 N ATOM 1047 CA ARG A 68 -21.004 14.842 8.842 1.00 0.00 C ATOM 1048 C ARG A 68 -22.428 14.403 9.145 1.00 0.00 C ATOM 1049 O ARG A 68 -22.874 14.494 10.288 1.00 0.00 O ATOM 1050 CB ARG A 68 -20.043 13.652 8.957 1.00 0.00 C ATOM 1051 CG ARG A 68 -18.740 13.771 8.149 1.00 0.00 C ATOM 1052 CD ARG A 68 -17.886 14.971 8.555 1.00 0.00 C ATOM 1053 NE ARG A 68 -18.166 16.155 7.729 1.00 0.00 N ATOM 1054 CZ ARG A 68 -17.382 17.240 7.660 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -16.285 17.331 8.410 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -17.705 18.237 6.848 1.00 0.00 N ATOM 0 H ARG A 68 -20.159 15.562 10.607 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.950 15.221 7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.787 13.515 10.008 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.568 12.752 8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -18.157 12.859 8.276 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -18.983 13.849 7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -18.071 15.209 9.603 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -16.831 14.710 8.468 1.00 0.00 H new ATOM 0 HE ARG A 68 -19.018 16.150 7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.036 16.571 9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.694 18.160 8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.548 18.177 6.278 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.110 19.064 6.794 1.00 0.00 H new ATOM 1070 N GLU A 69 -23.138 13.935 8.137 1.00 0.00 N ATOM 1071 CA GLU A 69 -24.517 13.537 8.333 1.00 0.00 C ATOM 1072 C GLU A 69 -24.601 12.215 9.066 1.00 0.00 C ATOM 1073 O GLU A 69 -23.981 11.224 8.667 1.00 0.00 O ATOM 1074 CB GLU A 69 -25.258 13.439 7.003 1.00 0.00 C ATOM 1075 CG GLU A 69 -25.255 14.732 6.211 1.00 0.00 C ATOM 1076 CD GLU A 69 -25.822 15.909 6.991 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -26.886 15.761 7.617 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -25.209 16.999 6.968 1.00 0.00 O ATOM 0 H GLU A 69 -22.788 13.822 7.186 1.00 0.00 H new ATOM 0 HA GLU A 69 -24.994 14.306 8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -24.804 12.652 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -26.289 13.141 7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -24.234 14.963 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -25.836 14.594 5.299 1.00 0.00 H new ATOM 1085 N HIS A 70 -25.366 12.209 10.134 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.551 11.020 10.938 1.00 0.00 C ATOM 1087 C HIS A 70 -27.027 10.662 11.024 1.00 0.00 C ATOM 1088 O HIS A 70 -27.898 11.538 10.962 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.951 11.216 12.349 1.00 0.00 C ATOM 1090 CG HIS A 70 -25.608 12.296 13.168 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -25.546 13.632 12.842 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -26.330 12.226 14.313 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -26.197 14.335 13.747 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -26.684 13.510 14.652 1.00 0.00 N ATOM 0 H HIS A 70 -25.877 13.025 10.470 1.00 0.00 H new ATOM 0 HA HIS A 70 -25.025 10.194 10.459 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -25.020 10.274 12.893 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.891 11.449 12.249 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -26.581 11.328 14.858 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -26.312 15.409 13.747 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -27.233 13.780 15.469 1.00 0.00 H new ATOM 1102 N GLY A 71 -27.298 9.386 11.158 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.651 8.914 11.249 1.00 0.00 C ATOM 1104 C GLY A 71 -28.973 8.420 12.633 1.00 0.00 C ATOM 1105 O GLY A 71 -28.334 8.821 13.603 1.00 0.00 O ATOM 0 H GLY A 71 -26.590 8.653 11.206 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -29.336 9.718 10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -28.806 8.110 10.530 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.965 7.552 12.726 1.00 0.00 N ATOM 1110 CA ARG A 72 -30.404 7.016 14.014 1.00 0.00 C ATOM 1111 C ARG A 72 -29.361 6.094 14.617 1.00 0.00 C ATOM 1112 O ARG A 72 -29.060 6.177 15.801 1.00 0.00 O ATOM 1113 CB ARG A 72 -31.718 6.250 13.845 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.854 7.078 13.265 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.289 8.215 14.181 1.00 0.00 C ATOM 1116 NE ARG A 72 -34.399 8.971 13.591 1.00 0.00 N ATOM 1117 CZ ARG A 72 -34.857 10.138 14.050 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -34.314 10.700 15.120 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -35.863 10.739 13.429 1.00 0.00 N ATOM 0 H ARG A 72 -30.487 7.199 11.924 1.00 0.00 H new ATOM 0 HA ARG A 72 -30.551 7.859 14.689 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -31.543 5.390 13.198 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -32.026 5.861 14.816 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -32.542 7.491 12.305 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -33.707 6.428 13.071 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.592 7.812 15.148 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.447 8.882 14.364 1.00 0.00 H new ATOM 0 HE ARG A 72 -34.855 8.576 12.769 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -33.540 10.241 15.600 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -34.670 11.592 15.464 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -36.283 10.309 12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -36.217 11.631 13.776 1.00 0.00 H new ATOM 1133 N THR A 73 -28.812 5.228 13.799 1.00 0.00 N ATOM 1134 CA THR A 73 -27.861 4.250 14.270 1.00 0.00 C ATOM 1135 C THR A 73 -26.622 4.162 13.380 1.00 0.00 C ATOM 1136 O THR A 73 -25.827 3.223 13.512 1.00 0.00 O ATOM 1137 CB THR A 73 -28.522 2.874 14.352 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.266 2.616 13.145 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.444 2.775 15.563 1.00 0.00 C ATOM 0 H THR A 73 -29.009 5.181 12.799 1.00 0.00 H new ATOM 0 HA THR A 73 -27.537 4.574 15.259 1.00 0.00 H new ATOM 0 HB THR A 73 -27.737 2.126 14.463 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.686 1.732 13.202 1.00 0.00 H new ATOM 0 HG21 THR A 73 -29.899 1.785 15.594 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.867 2.938 16.474 1.00 0.00 H new ATOM 0 HG23 THR A 73 -30.225 3.531 15.488 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.446 5.139 12.497 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.322 5.127 11.571 1.00 0.00 C ATOM 1149 C TRP A 74 -24.724 6.516 11.416 1.00 0.00 C ATOM 1150 O TRP A 74 -25.421 7.513 11.564 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.773 4.603 10.188 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.877 5.416 9.542 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.222 5.183 9.621 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.722 6.585 8.710 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.912 6.131 8.900 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -28.015 7.003 8.333 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.616 7.323 8.255 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.232 8.120 7.520 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.834 8.427 7.451 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.131 8.817 7.093 1.00 0.00 C ATOM 0 H TRP A 74 -27.064 5.945 12.404 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.560 4.464 11.981 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -24.912 4.587 9.520 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -26.112 3.573 10.296 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.677 4.372 10.170 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.926 6.178 8.802 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.612 7.033 8.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.230 8.423 7.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.990 8.998 7.093 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -27.267 9.686 6.467 1.00 0.00 H new ATOM 1171 N THR A 75 -23.435 6.580 11.140 1.00 0.00 N ATOM 1172 CA THR A 75 -22.784 7.848 10.866 1.00 0.00 C ATOM 1173 C THR A 75 -21.711 7.690 9.784 1.00 0.00 C ATOM 1174 O THR A 75 -21.073 6.629 9.672 1.00 0.00 O ATOM 1175 CB THR A 75 -22.171 8.488 12.149 1.00 0.00 C ATOM 1176 OG1 THR A 75 -21.761 9.828 11.875 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.967 7.701 12.666 1.00 0.00 C ATOM 0 H THR A 75 -22.818 5.769 11.100 1.00 0.00 H new ATOM 0 HA THR A 75 -23.556 8.526 10.501 1.00 0.00 H new ATOM 0 HB THR A 75 -22.945 8.473 12.917 1.00 0.00 H new ATOM 0 HG1 THR A 75 -20.841 9.959 12.186 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.573 8.184 13.560 1.00 0.00 H new ATOM 0 HG22 THR A 75 -21.274 6.684 12.908 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.194 7.673 11.898 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.537 8.728 8.976 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.505 8.737 7.948 1.00 0.00 C ATOM 1187 C LYS A 76 -19.246 9.385 8.492 1.00 0.00 C ATOM 1188 O LYS A 76 -19.193 10.599 8.690 1.00 0.00 O ATOM 1189 CB LYS A 76 -20.986 9.483 6.685 1.00 0.00 C ATOM 1190 CG LYS A 76 -19.938 9.642 5.610 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.506 10.388 4.420 1.00 0.00 C ATOM 1192 CE LYS A 76 -19.461 10.581 3.350 1.00 0.00 C ATOM 1193 NZ LYS A 76 -18.517 11.700 3.661 1.00 0.00 N ATOM 0 H LYS A 76 -22.100 9.578 9.013 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.288 7.706 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -21.839 8.948 6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.341 10.471 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.079 10.182 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.580 8.662 5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -21.352 9.836 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -20.884 11.358 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.896 9.657 3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.954 10.780 2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.977 11.947 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.056 12.530 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.861 11.402 4.411 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.233 8.585 8.724 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.994 9.088 9.264 1.00 0.00 C ATOM 1209 C LEU A 77 -15.970 9.262 8.165 1.00 0.00 C ATOM 1210 O LEU A 77 -15.580 8.303 7.499 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.464 8.162 10.358 1.00 0.00 C ATOM 1212 CG LEU A 77 -17.400 7.963 11.553 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.788 7.014 12.565 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.735 9.297 12.204 1.00 0.00 C ATOM 0 H LEU A 77 -18.243 7.581 8.547 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.185 10.063 9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.252 7.188 9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.517 8.560 10.721 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.326 7.519 11.187 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.471 6.888 13.405 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.609 6.047 12.095 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.844 7.424 12.923 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.401 9.132 13.051 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.818 9.773 12.551 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.226 9.944 11.477 1.00 0.00 H new ATOM 1226 N THR A 78 -15.558 10.492 7.961 1.00 0.00 N ATOM 1227 CA THR A 78 -14.593 10.820 6.941 1.00 0.00 C ATOM 1228 C THR A 78 -13.276 11.239 7.592 1.00 0.00 C ATOM 1229 O THR A 78 -13.239 12.193 8.364 1.00 0.00 O ATOM 1230 CB THR A 78 -15.138 11.955 6.058 1.00 0.00 C ATOM 1231 OG1 THR A 78 -16.459 11.593 5.603 1.00 0.00 O ATOM 1232 CG2 THR A 78 -14.230 12.196 4.857 1.00 0.00 C ATOM 0 H THR A 78 -15.884 11.294 8.500 1.00 0.00 H new ATOM 0 HA THR A 78 -14.413 9.945 6.317 1.00 0.00 H new ATOM 0 HB THR A 78 -15.176 12.874 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.107 12.259 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.638 13.003 4.249 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.234 12.470 5.203 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.169 11.287 4.259 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.201 10.524 7.283 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.909 10.805 7.901 1.00 0.00 C ATOM 1242 C TYR A 79 -9.938 11.425 6.911 1.00 0.00 C ATOM 1243 O TYR A 79 -8.854 11.853 7.299 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.302 9.520 8.459 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.193 8.795 9.436 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.309 9.225 10.748 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.927 7.683 9.042 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -12.126 8.567 11.642 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.748 7.021 9.931 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.840 7.468 11.231 1.00 0.00 C ATOM 1251 OH TYR A 79 -13.648 6.812 12.120 1.00 0.00 O ATOM 0 H TYR A 79 -12.196 9.753 6.615 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.081 11.517 8.708 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.068 8.851 7.631 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.359 9.759 8.951 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.750 10.089 11.075 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.854 7.331 8.023 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.204 8.914 12.662 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.314 6.159 9.611 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.083 6.058 11.671 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.324 11.443 5.624 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.495 12.010 4.530 1.00 0.00 C ATOM 1263 C ALA A 80 -8.245 11.158 4.236 1.00 0.00 C ATOM 1264 O ALA A 80 -7.681 11.220 3.139 1.00 0.00 O ATOM 1265 CB ALA A 80 -9.096 13.451 4.833 1.00 0.00 C ATOM 0 H ALA A 80 -11.217 11.067 5.306 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.115 11.998 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.490 13.840 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.992 14.061 4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.520 13.482 5.758 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.810 10.392 5.218 1.00 0.00 N ATOM 1272 CA ASN A 81 -6.647 9.539 5.069 1.00 0.00 C ATOM 1273 C ASN A 81 -7.061 8.081 4.974 1.00 0.00 C ATOM 1274 O ASN A 81 -7.924 7.617 5.723 1.00 0.00 O ATOM 1275 CB ASN A 81 -5.680 9.728 6.241 1.00 0.00 C ATOM 1276 CG ASN A 81 -5.015 11.100 6.263 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -5.579 12.099 5.814 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -3.808 11.153 6.782 1.00 0.00 N ATOM 0 H ASN A 81 -8.250 10.343 6.137 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.140 9.823 4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.221 9.580 7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.909 8.959 6.193 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.309 12.041 6.822 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.371 10.306 7.145 1.00 0.00 H new ATOM 1285 N HIS A 82 -6.433 7.361 4.065 1.00 0.00 N ATOM 1286 CA HIS A 82 -6.734 5.956 3.844 1.00 0.00 C ATOM 1287 C HIS A 82 -6.307 5.100 5.040 1.00 0.00 C ATOM 1288 O HIS A 82 -6.935 4.088 5.344 1.00 0.00 O ATOM 1289 CB HIS A 82 -6.062 5.452 2.549 1.00 0.00 C ATOM 1290 CG HIS A 82 -4.560 5.360 2.619 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -3.733 6.457 2.514 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -3.746 4.294 2.801 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -2.474 6.071 2.629 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -2.455 4.767 2.805 1.00 0.00 N ATOM 0 H HIS A 82 -5.701 7.731 3.459 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.814 5.861 3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.463 4.468 2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.335 6.118 1.730 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.053 3.265 2.921 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -1.609 6.716 2.586 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.617 4.198 2.925 1.00 0.00 H new ATOM 1302 N SER A 83 -5.237 5.514 5.708 1.00 0.00 N ATOM 1303 CA SER A 83 -4.715 4.784 6.849 1.00 0.00 C ATOM 1304 C SER A 83 -5.758 4.710 7.966 1.00 0.00 C ATOM 1305 O SER A 83 -6.035 3.639 8.505 1.00 0.00 O ATOM 1306 CB SER A 83 -3.464 5.488 7.352 1.00 0.00 C ATOM 1307 OG SER A 83 -2.584 5.757 6.277 1.00 0.00 O ATOM 0 H SER A 83 -4.713 6.358 5.474 1.00 0.00 H new ATOM 0 HA SER A 83 -4.472 3.766 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.738 6.419 7.848 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.963 4.867 8.094 1.00 0.00 H new ATOM 0 HG SER A 83 -1.784 6.212 6.615 1.00 0.00 H new ATOM 1313 N SER A 84 -6.355 5.852 8.276 1.00 0.00 N ATOM 1314 CA SER A 84 -7.385 5.938 9.296 1.00 0.00 C ATOM 1315 C SER A 84 -8.632 5.187 8.851 1.00 0.00 C ATOM 1316 O SER A 84 -9.304 4.540 9.654 1.00 0.00 O ATOM 1317 CB SER A 84 -7.708 7.401 9.571 1.00 0.00 C ATOM 1318 OG SER A 84 -6.521 8.137 9.842 1.00 0.00 O ATOM 0 H SER A 84 -6.138 6.742 7.827 1.00 0.00 H new ATOM 0 HA SER A 84 -7.022 5.478 10.215 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.221 7.833 8.712 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.389 7.475 10.419 1.00 0.00 H new ATOM 0 HG SER A 84 -6.749 9.074 10.014 1.00 0.00 H new ATOM 1324 N TYR A 85 -8.911 5.270 7.555 1.00 0.00 N ATOM 1325 CA TYR A 85 -10.056 4.612 6.941 1.00 0.00 C ATOM 1326 C TYR A 85 -10.002 3.101 7.162 1.00 0.00 C ATOM 1327 O TYR A 85 -10.960 2.500 7.630 1.00 0.00 O ATOM 1328 CB TYR A 85 -10.031 4.929 5.432 1.00 0.00 C ATOM 1329 CG TYR A 85 -11.025 4.163 4.580 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -12.294 4.654 4.344 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -10.672 2.948 3.997 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -13.193 3.962 3.555 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -11.562 2.250 3.211 1.00 0.00 C ATOM 1334 CZ TYR A 85 -12.825 2.764 2.992 1.00 0.00 C ATOM 1335 OH TYR A 85 -13.720 2.074 2.206 1.00 0.00 O ATOM 0 H TYR A 85 -8.343 5.801 6.896 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.978 4.977 7.395 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.215 5.995 5.301 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.028 4.730 5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.589 5.595 4.784 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.683 2.546 4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.181 4.361 3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.274 1.307 2.769 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.987 2.633 1.446 1.00 0.00 H new ATOM 1345 N LEU A 86 -8.868 2.507 6.840 1.00 0.00 N ATOM 1346 CA LEU A 86 -8.692 1.089 6.950 1.00 0.00 C ATOM 1347 C LEU A 86 -8.668 0.632 8.414 1.00 0.00 C ATOM 1348 O LEU A 86 -9.251 -0.395 8.762 1.00 0.00 O ATOM 1349 CB LEU A 86 -7.414 0.682 6.241 1.00 0.00 C ATOM 1350 CG LEU A 86 -7.178 -0.803 6.148 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -8.236 -1.461 5.279 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.800 -1.095 5.617 1.00 0.00 C ATOM 0 H LEU A 86 -8.047 3.004 6.495 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.542 0.599 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.429 1.095 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.569 1.136 6.759 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.250 -1.220 7.152 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.047 -2.533 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.221 -1.287 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.200 -1.035 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.653 -2.174 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.693 -0.660 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.054 -0.663 6.284 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.987 1.390 9.265 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.881 1.034 10.683 1.00 0.00 C ATOM 1366 C ARG A 87 -9.238 1.101 11.385 1.00 0.00 C ATOM 1367 O ARG A 87 -9.556 0.257 12.224 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.873 1.935 11.404 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.424 1.735 10.966 1.00 0.00 C ATOM 1370 CD ARG A 87 -4.906 0.339 11.303 1.00 0.00 C ATOM 1371 NE ARG A 87 -4.931 0.062 12.747 1.00 0.00 N ATOM 1372 CZ ARG A 87 -4.162 -0.856 13.354 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -3.268 -1.555 12.658 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -4.282 -1.063 14.658 1.00 0.00 N ATOM 0 H ARG A 87 -7.502 2.249 9.005 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.526 0.004 10.727 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.150 2.976 11.237 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.944 1.754 12.477 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.345 1.900 9.891 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.794 2.481 11.450 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.510 -0.404 10.783 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.886 0.235 10.934 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.574 0.603 13.325 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.163 -1.395 11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.688 -2.251 13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.958 -0.525 15.200 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.698 -1.760 15.120 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.030 2.109 11.040 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.348 2.283 11.634 1.00 0.00 C ATOM 1390 C ALA A 88 -12.367 1.344 10.995 1.00 0.00 C ATOM 1391 O ALA A 88 -13.468 1.156 11.521 1.00 0.00 O ATOM 1392 CB ALA A 88 -11.807 3.727 11.500 1.00 0.00 C ATOM 0 H ALA A 88 -9.781 2.819 10.351 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.273 2.035 12.693 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.794 3.838 11.949 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.100 4.382 12.009 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.856 3.997 10.445 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.988 0.760 9.860 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.850 -0.154 9.124 1.00 0.00 C ATOM 1400 C LEU A 89 -13.166 -1.387 9.971 1.00 0.00 C ATOM 1401 O LEU A 89 -14.307 -1.837 10.021 1.00 0.00 O ATOM 1402 CB LEU A 89 -12.159 -0.580 7.822 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.966 -1.484 6.894 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -14.116 -0.711 6.274 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -12.073 -2.081 5.820 1.00 0.00 C ATOM 0 H LEU A 89 -11.076 0.909 9.428 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.784 0.356 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.884 0.319 7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.232 -1.093 8.078 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.381 -2.303 7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.683 -1.368 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.769 -0.336 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.723 0.128 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.666 -2.722 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.626 -1.280 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.284 -2.670 6.288 1.00 0.00 H new ATOM 1417 N ARG A 90 -12.133 -1.915 10.641 1.00 0.00 N ATOM 1418 CA ARG A 90 -12.271 -3.097 11.500 1.00 0.00 C ATOM 1419 C ARG A 90 -13.007 -4.238 10.790 1.00 0.00 C ATOM 1420 O ARG A 90 -12.492 -4.797 9.830 1.00 0.00 O ATOM 1421 CB ARG A 90 -12.952 -2.738 12.831 1.00 0.00 C ATOM 1422 CG ARG A 90 -12.027 -2.088 13.852 1.00 0.00 C ATOM 1423 CD ARG A 90 -10.985 -3.083 14.345 1.00 0.00 C ATOM 1424 NE ARG A 90 -10.123 -2.531 15.393 1.00 0.00 N ATOM 1425 CZ ARG A 90 -9.319 -3.274 16.168 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -9.275 -4.594 16.009 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -8.563 -2.698 17.093 1.00 0.00 N ATOM 0 H ARG A 90 -11.186 -1.538 10.603 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.265 -3.454 11.722 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.784 -2.063 12.630 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.375 -3.644 13.266 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.531 -1.227 13.404 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.611 -1.718 14.695 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.489 -3.971 14.726 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.368 -3.402 13.505 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.135 -1.522 15.542 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.853 -5.042 15.297 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.663 -5.159 16.599 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.591 -1.686 17.217 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.953 -3.267 17.680 1.00 0.00 H new ATOM 1441 N GLU A 91 -14.216 -4.567 11.273 1.00 0.00 N ATOM 1442 CA GLU A 91 -15.047 -5.635 10.697 1.00 0.00 C ATOM 1443 C GLU A 91 -14.291 -6.990 10.669 1.00 0.00 C ATOM 1444 O GLU A 91 -14.576 -7.872 9.866 1.00 0.00 O ATOM 1445 CB GLU A 91 -15.534 -5.226 9.291 1.00 0.00 C ATOM 1446 CG GLU A 91 -16.631 -6.116 8.725 1.00 0.00 C ATOM 1447 CD GLU A 91 -17.846 -6.188 9.631 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -18.691 -5.273 9.580 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -17.955 -7.170 10.402 1.00 0.00 O ATOM 0 H GLU A 91 -14.644 -4.100 12.073 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.920 -5.775 11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.899 -4.200 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.685 -5.237 8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.932 -5.739 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -16.236 -7.120 8.571 1.00 0.00 H new ATOM 1456 N HIS A 92 -13.343 -7.144 11.583 1.00 0.00 N ATOM 1457 CA HIS A 92 -12.561 -8.377 11.691 1.00 0.00 C ATOM 1458 C HIS A 92 -12.833 -9.068 13.015 1.00 0.00 C ATOM 1459 O HIS A 92 -11.907 -9.499 13.700 1.00 0.00 O ATOM 1460 CB HIS A 92 -11.058 -8.098 11.547 1.00 0.00 C ATOM 1461 CG HIS A 92 -10.579 -7.984 10.132 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -10.635 -6.958 9.253 1.00 0.00 N flip ATOM 1463 CD2 HIS A 92 -9.938 -9.010 9.473 1.00 0.00 C flip ATOM 1464 CE1 HIS A 92 -10.033 -7.379 8.095 1.00 0.00 C flip ATOM 1465 NE2 HIS A 92 -9.621 -8.618 8.253 1.00 0.00 N flip ATOM 0 H HIS A 92 -13.093 -6.429 12.266 1.00 0.00 H new ATOM 0 HA HIS A 92 -12.868 -9.034 10.877 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -10.821 -7.173 12.073 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.504 -8.896 12.041 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -11.048 -6.041 9.420 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -9.728 -9.984 9.890 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.916 -6.789 7.198 1.00 0.00 H new ATOM 1473 N GLY A 93 -14.102 -9.176 13.369 1.00 0.00 N ATOM 1474 CA GLY A 93 -14.464 -9.802 14.620 1.00 0.00 C ATOM 1475 C GLY A 93 -14.514 -8.807 15.743 1.00 0.00 C ATOM 1476 O GLY A 93 -14.158 -9.115 16.882 1.00 0.00 O ATOM 0 H GLY A 93 -14.888 -8.841 12.812 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.436 -10.285 14.518 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.743 -10.584 14.858 1.00 0.00 H new ATOM 1480 N THR A 94 -14.957 -7.609 15.428 1.00 0.00 N ATOM 1481 CA THR A 94 -15.031 -6.555 16.401 1.00 0.00 C ATOM 1482 C THR A 94 -16.398 -6.539 17.081 1.00 0.00 C ATOM 1483 O THR A 94 -17.396 -6.118 16.492 1.00 0.00 O ATOM 1484 CB THR A 94 -14.758 -5.195 15.737 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.520 -5.268 15.008 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.668 -4.082 16.778 1.00 0.00 C ATOM 0 H THR A 94 -15.273 -7.345 14.495 1.00 0.00 H new ATOM 0 HA THR A 94 -14.270 -6.739 17.159 1.00 0.00 H new ATOM 0 HB THR A 94 -15.583 -4.966 15.062 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.692 -5.607 14.105 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.474 -3.132 16.279 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.608 -4.019 17.326 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.857 -4.299 17.473 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.430 -7.005 18.314 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.650 -7.026 19.095 1.00 0.00 C ATOM 1496 C ILE A 95 -17.576 -6.007 20.206 1.00 0.00 C ATOM 1497 O ILE A 95 -16.656 -6.030 21.034 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.946 -8.438 19.669 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.254 -9.410 18.529 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -19.099 -8.396 20.669 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.342 -10.853 18.964 1.00 0.00 C ATOM 0 H ILE A 95 -15.615 -7.378 18.800 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.473 -6.768 18.429 1.00 0.00 H new ATOM 0 HB ILE A 95 -17.061 -8.786 20.201 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.197 -9.123 18.064 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.481 -9.317 17.766 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.283 -9.399 21.054 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.841 -7.732 21.494 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -19.997 -8.027 20.174 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.563 -11.480 18.101 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.392 -11.160 19.402 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.135 -10.962 19.704 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.532 -5.110 20.220 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.554 -4.060 21.186 1.00 0.00 C ATOM 1515 C TYR A 96 -19.862 -4.098 21.972 1.00 0.00 C ATOM 1516 O TYR A 96 -20.944 -4.112 21.387 1.00 0.00 O ATOM 1517 CB TYR A 96 -18.386 -2.716 20.483 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.778 -1.658 21.359 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -16.402 -1.588 21.517 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -18.566 -0.745 22.035 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -15.829 -0.637 22.322 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -17.996 0.214 22.843 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.627 0.261 22.980 1.00 0.00 C ATOM 1524 OH TYR A 96 -16.057 1.202 23.783 1.00 0.00 O ATOM 0 H TYR A 96 -19.310 -5.095 19.561 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.730 -4.195 21.887 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.760 -2.851 19.601 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -19.360 -2.373 20.133 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.771 -2.294 20.997 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -19.640 -0.784 21.928 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.756 -0.596 22.436 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.619 0.925 23.366 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.166 1.426 23.442 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.751 -4.155 23.296 1.00 0.00 N ATOM 1535 CA CYS A 97 -20.918 -4.177 24.188 1.00 0.00 C ATOM 1536 C CYS A 97 -21.810 -5.407 23.939 1.00 0.00 C ATOM 1537 O CYS A 97 -22.999 -5.410 24.284 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.728 -2.880 24.055 1.00 0.00 C ATOM 1539 SG CYS A 97 -20.854 -1.407 24.642 1.00 0.00 S ATOM 0 H CYS A 97 -18.856 -4.187 23.784 1.00 0.00 H new ATOM 0 HA CYS A 97 -20.545 -4.250 25.209 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.998 -2.737 23.009 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -22.658 -2.985 24.613 1.00 0.00 H new ATOM 0 HG CYS A 97 -19.951 -1.063 23.773 1.00 0.00 H new ATOM 1545 N GLY A 98 -21.228 -6.455 23.368 1.00 0.00 N ATOM 1546 CA GLY A 98 -21.979 -7.674 23.131 1.00 0.00 C ATOM 1547 C GLY A 98 -22.457 -7.826 21.700 1.00 0.00 C ATOM 1548 O GLY A 98 -22.968 -8.882 21.327 1.00 0.00 O ATOM 0 H GLY A 98 -20.254 -6.483 23.066 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -21.356 -8.530 23.390 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.842 -7.694 23.797 1.00 0.00 H new ATOM 1552 N ALA A 99 -22.290 -6.794 20.890 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.723 -6.845 19.502 1.00 0.00 C ATOM 1554 C ALA A 99 -21.625 -6.380 18.571 1.00 0.00 C ATOM 1555 O ALA A 99 -20.849 -5.492 18.907 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.961 -5.994 19.311 1.00 0.00 C ATOM 0 H ALA A 99 -21.859 -5.912 21.168 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.959 -7.881 19.259 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.276 -6.039 18.269 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.762 -6.368 19.949 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.737 -4.961 19.578 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.546 -6.991 17.410 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.557 -6.600 16.429 1.00 0.00 C ATOM 1564 C ALA A 100 -20.993 -5.329 15.720 1.00 0.00 C ATOM 1565 O ALA A 100 -22.131 -5.234 15.244 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.336 -7.721 15.425 1.00 0.00 C ATOM 0 H ALA A 100 -22.153 -7.759 17.122 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.615 -6.405 16.941 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.589 -7.412 14.693 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.986 -8.612 15.946 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.274 -7.943 14.915 1.00 0.00 H new ATOM 1572 N ILE A 101 -20.101 -4.362 15.649 1.00 0.00 N ATOM 1573 CA ILE A 101 -20.401 -3.116 14.972 1.00 0.00 C ATOM 1574 C ILE A 101 -20.107 -3.247 13.488 1.00 0.00 C ATOM 1575 O ILE A 101 -19.235 -4.023 13.086 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.626 -1.907 15.566 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -18.112 -2.124 15.481 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -20.053 -1.652 17.010 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -17.309 -0.911 15.901 1.00 0.00 C ATOM 0 H ILE A 101 -19.165 -4.414 16.050 1.00 0.00 H new ATOM 0 HA ILE A 101 -21.462 -2.918 15.123 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.872 -1.027 14.972 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.837 -2.969 16.112 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.847 -2.390 14.458 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -19.499 -0.802 17.408 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -21.121 -1.436 17.041 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -19.844 -2.536 17.613 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -16.245 -1.132 15.817 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.557 -0.069 15.255 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.547 -0.657 16.934 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.844 -2.525 12.680 1.00 0.00 N ATOM 1592 CA GLY A 102 -20.660 -2.612 11.262 1.00 0.00 C ATOM 1593 C GLY A 102 -20.035 -1.373 10.673 1.00 0.00 C ATOM 1594 O GLY A 102 -20.683 -0.331 10.576 1.00 0.00 O ATOM 0 H GLY A 102 -21.571 -1.876 12.982 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -20.031 -3.473 11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.625 -2.787 10.786 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.779 -1.479 10.298 1.00 0.00 N ATOM 1599 CA CYS A 103 -18.089 -0.398 9.627 1.00 0.00 C ATOM 1600 C CYS A 103 -17.844 -0.809 8.190 1.00 0.00 C ATOM 1601 O CYS A 103 -16.985 -1.650 7.911 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.761 -0.092 10.317 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.889 0.264 12.084 1.00 0.00 S ATOM 0 H CYS A 103 -18.209 -2.312 10.448 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.700 0.504 9.664 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -16.092 -0.942 10.179 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -16.298 0.761 9.821 1.00 0.00 H new ATOM 0 HG CYS A 103 -15.699 0.297 12.607 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.609 -0.258 7.288 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.508 -0.637 5.895 1.00 0.00 C ATOM 1611 C VAL A 104 -18.085 0.542 5.029 1.00 0.00 C ATOM 1612 O VAL A 104 -18.174 1.699 5.458 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.857 -1.206 5.370 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -20.294 -2.408 6.187 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.934 -0.132 5.375 1.00 0.00 C ATOM 0 H VAL A 104 -19.311 0.455 7.487 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.745 -1.413 5.830 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.706 -1.534 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -21.240 -2.787 5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -19.536 -3.188 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -20.421 -2.113 7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.869 -0.552 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -21.079 0.233 6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.627 0.694 4.733 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.599 0.268 3.800 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.235 1.314 2.848 1.00 0.00 C ATOM 1627 C PRO A 105 -18.464 2.110 2.432 1.00 0.00 C ATOM 1628 O PRO A 105 -19.587 1.589 2.469 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.668 0.544 1.646 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.389 -0.830 2.150 1.00 0.00 C ATOM 1631 CD PRO A 105 -17.371 -1.077 3.250 1.00 0.00 C ATOM 0 HA PRO A 105 -16.526 2.030 3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.381 0.523 0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.760 1.016 1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -16.502 -1.567 1.355 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.366 -0.910 2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -18.293 -1.521 2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.972 -1.758 4.002 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.267 3.358 2.051 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.384 4.209 1.687 1.00 0.00 C ATOM 1641 C TYR A 106 -20.135 3.661 0.474 1.00 0.00 C ATOM 1642 O TYR A 106 -19.550 3.422 -0.581 1.00 0.00 O ATOM 1643 CB TYR A 106 -18.913 5.645 1.416 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.039 6.588 1.030 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -20.854 7.158 2.003 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -20.287 6.899 -0.301 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -21.886 8.011 1.659 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -21.316 7.752 -0.653 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.113 8.305 0.329 1.00 0.00 C ATOM 1650 OH TYR A 106 -23.141 9.148 -0.024 1.00 0.00 O ATOM 0 H TYR A 106 -17.351 3.803 1.986 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.072 4.221 2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.416 6.030 2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.171 5.631 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.678 6.930 3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -19.666 6.468 -1.072 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -22.511 8.445 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -21.496 7.985 -1.692 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.161 9.249 -0.999 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.430 3.456 0.652 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.304 2.987 -0.407 1.00 0.00 C ATOM 1662 C LYS A 107 -23.538 3.863 -0.456 1.00 0.00 C ATOM 1663 O LYS A 107 -24.193 4.069 0.564 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.714 1.533 -0.166 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.569 0.541 -0.261 1.00 0.00 C ATOM 1666 CD LYS A 107 -22.047 -0.884 -0.027 1.00 0.00 C ATOM 1667 CE LYS A 107 -20.903 -1.875 -0.163 1.00 0.00 C ATOM 1668 NZ LYS A 107 -21.353 -3.272 0.054 1.00 0.00 N ATOM 0 H LYS A 107 -21.905 3.612 1.541 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.771 3.041 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.168 1.454 0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.480 1.258 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.104 0.613 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.804 0.795 0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.486 -0.965 0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -22.832 -1.130 -0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -20.461 -1.786 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -20.122 -1.629 0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -20.544 -3.917 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -21.751 -3.364 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -22.080 -3.516 -0.649 1.00 0.00 H new ATOM 1682 N HIS A 108 -23.861 4.369 -1.632 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.002 5.265 -1.785 1.00 0.00 C ATOM 1684 C HIS A 108 -26.324 4.543 -1.516 1.00 0.00 C ATOM 1685 O HIS A 108 -27.200 5.074 -0.833 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.023 5.903 -3.180 1.00 0.00 C ATOM 1687 CG HIS A 108 -26.114 6.918 -3.344 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -27.322 6.636 -3.932 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -26.177 8.218 -2.968 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -28.086 7.715 -3.911 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -27.414 8.689 -3.331 1.00 0.00 N ATOM 0 H HIS A 108 -23.353 4.178 -2.496 1.00 0.00 H new ATOM 0 HA HIS A 108 -24.889 6.056 -1.043 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -24.061 6.378 -3.371 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -25.146 5.121 -3.929 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -25.398 8.780 -2.474 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -29.090 7.786 -4.303 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -27.757 9.637 -3.177 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.449 3.330 -2.038 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.669 2.551 -1.879 1.00 0.00 C ATOM 1701 C GLU A 109 -27.889 2.193 -0.416 1.00 0.00 C ATOM 1702 O GLU A 109 -29.029 2.145 0.066 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.604 1.286 -2.727 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.876 0.463 -2.690 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.769 -0.798 -3.504 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -28.222 -1.795 -2.992 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -29.236 -0.803 -4.669 1.00 0.00 O ATOM 0 H GLU A 109 -25.719 2.864 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.510 3.157 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.390 1.562 -3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.773 0.670 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -29.109 0.206 -1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.705 1.064 -3.064 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.795 1.952 0.291 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.859 1.622 1.700 1.00 0.00 C ATOM 1716 C LEU A 110 -27.458 2.782 2.482 1.00 0.00 C ATOM 1717 O LEU A 110 -28.267 2.578 3.375 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.472 1.289 2.246 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.430 0.866 3.716 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -26.149 -0.458 3.918 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -24.000 0.777 4.203 1.00 0.00 C ATOM 0 H LEU A 110 -25.851 1.980 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.494 0.744 1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -25.045 0.488 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.831 2.161 2.118 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.946 1.625 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -26.106 -0.738 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -27.190 -0.357 3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -25.667 -1.229 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.990 0.475 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.458 0.042 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.520 1.750 4.102 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.070 4.005 2.115 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.572 5.201 2.782 1.00 0.00 C ATOM 1735 C ILE A 111 -29.085 5.292 2.628 1.00 0.00 C ATOM 1736 O ILE A 111 -29.799 5.591 3.585 1.00 0.00 O ATOM 1737 CB ILE A 111 -26.925 6.489 2.213 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.393 6.402 2.273 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -27.422 7.720 2.969 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -24.832 6.236 3.671 1.00 0.00 C ATOM 0 H ILE A 111 -26.410 4.190 1.360 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.308 5.120 3.837 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.220 6.584 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.064 5.563 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -24.972 7.304 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -26.956 8.614 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -28.505 7.796 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.160 7.630 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.744 6.183 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.127 7.087 4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.221 5.318 4.112 1.00 0.00 H new ATOM 1752 N SER A 112 -29.570 5.021 1.425 1.00 0.00 N ATOM 1753 CA SER A 112 -30.996 5.025 1.165 1.00 0.00 C ATOM 1754 C SER A 112 -31.704 3.994 2.047 1.00 0.00 C ATOM 1755 O SER A 112 -32.758 4.269 2.606 1.00 0.00 O ATOM 1756 CB SER A 112 -31.264 4.733 -0.308 1.00 0.00 C ATOM 1757 OG SER A 112 -30.617 5.683 -1.140 1.00 0.00 O ATOM 0 H SER A 112 -28.993 4.796 0.615 1.00 0.00 H new ATOM 0 HA SER A 112 -31.389 6.013 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.913 3.731 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.337 4.750 -0.497 1.00 0.00 H new ATOM 0 HG SER A 112 -30.802 5.475 -2.080 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.102 2.818 2.181 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.666 1.763 3.020 1.00 0.00 C ATOM 1765 C GLU A 113 -31.640 2.178 4.497 1.00 0.00 C ATOM 1766 O GLU A 113 -32.613 1.995 5.228 1.00 0.00 O ATOM 1767 CB GLU A 113 -30.874 0.464 2.828 1.00 0.00 C ATOM 1768 CG GLU A 113 -31.452 -0.730 3.568 1.00 0.00 C ATOM 1769 CD GLU A 113 -32.802 -1.145 3.030 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -32.846 -1.780 1.964 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -33.827 -0.837 3.667 1.00 0.00 O ATOM 0 H GLU A 113 -30.226 2.570 1.722 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.702 1.599 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -30.830 0.232 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -29.849 0.623 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -30.761 -1.569 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -31.545 -0.487 4.627 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.523 2.755 4.910 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.333 3.194 6.280 1.00 0.00 C ATOM 1780 C LEU A 114 -31.322 4.289 6.660 1.00 0.00 C ATOM 1781 O LEU A 114 -31.843 4.305 7.769 1.00 0.00 O ATOM 1782 CB LEU A 114 -28.907 3.672 6.487 1.00 0.00 C ATOM 1783 CG LEU A 114 -27.831 2.600 6.349 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -26.469 3.197 6.583 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -28.082 1.442 7.305 1.00 0.00 C ATOM 0 H LEU A 114 -29.723 2.932 4.303 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.519 2.340 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.700 4.465 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -28.830 4.114 7.481 1.00 0.00 H new ATOM 0 HG LEU A 114 -27.871 2.206 5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -25.710 2.422 6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.285 3.983 5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -26.424 3.619 7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -27.299 0.694 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -28.077 1.810 8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -29.050 0.992 7.086 1.00 0.00 H new ATOM 1797 N SER A 115 -31.572 5.204 5.736 1.00 0.00 N ATOM 1798 CA SER A 115 -32.499 6.295 5.978 1.00 0.00 C ATOM 1799 C SER A 115 -33.959 5.819 6.016 1.00 0.00 C ATOM 1800 O SER A 115 -34.836 6.531 6.513 1.00 0.00 O ATOM 1801 CB SER A 115 -32.295 7.405 4.945 1.00 0.00 C ATOM 1802 OG SER A 115 -32.276 6.885 3.630 1.00 0.00 O ATOM 0 H SER A 115 -31.144 5.211 4.810 1.00 0.00 H new ATOM 0 HA SER A 115 -32.283 6.701 6.966 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.094 8.141 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 115 -31.358 7.925 5.147 1.00 0.00 H new ATOM 0 HG SER A 115 -31.386 6.524 3.434 1.00 0.00 H new ATOM 1808 N ARG A 116 -34.220 4.619 5.487 1.00 0.00 N ATOM 1809 CA ARG A 116 -35.572 4.058 5.513 1.00 0.00 C ATOM 1810 C ARG A 116 -35.938 3.603 6.923 1.00 0.00 C ATOM 1811 O ARG A 116 -36.994 3.966 7.452 1.00 0.00 O ATOM 1812 CB ARG A 116 -35.683 2.879 4.548 1.00 0.00 C ATOM 1813 CG ARG A 116 -35.557 3.259 3.089 1.00 0.00 C ATOM 1814 CD ARG A 116 -35.566 2.028 2.194 1.00 0.00 C ATOM 1815 NE ARG A 116 -36.845 1.320 2.242 1.00 0.00 N ATOM 1816 CZ ARG A 116 -37.021 0.062 1.839 1.00 0.00 C ATOM 1817 NH1 ARG A 116 -35.979 -0.670 1.448 1.00 0.00 N ATOM 1818 NH2 ARG A 116 -38.239 -0.471 1.849 1.00 0.00 N ATOM 0 H ARG A 116 -33.521 4.025 5.041 1.00 0.00 H new ATOM 0 HA ARG A 116 -36.266 4.838 5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -34.909 2.151 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -36.643 2.387 4.702 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -36.378 3.919 2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -34.633 3.817 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -35.356 2.326 1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -34.767 1.353 2.500 1.00 0.00 H new ATOM 0 HE ARG A 116 -37.654 1.822 2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -35.042 -0.268 1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -36.119 -1.632 1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -39.035 0.083 2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -38.377 -1.434 1.541 1.00 0.00 H new ATOM 1832 N GLU A 117 -35.052 2.816 7.530 1.00 0.00 N ATOM 1833 CA GLU A 117 -35.261 2.331 8.892 1.00 0.00 C ATOM 1834 C GLU A 117 -34.954 3.435 9.877 1.00 0.00 C ATOM 1835 O GLU A 117 -35.673 3.652 10.861 1.00 0.00 O ATOM 1836 CB GLU A 117 -34.381 1.105 9.171 1.00 0.00 C ATOM 1837 CG GLU A 117 -34.626 0.458 10.527 1.00 0.00 C ATOM 1838 CD GLU A 117 -33.710 -0.722 10.784 1.00 0.00 C ATOM 1839 OE1 GLU A 117 -33.707 -1.675 9.970 1.00 0.00 O ATOM 1840 OE2 GLU A 117 -32.994 -0.712 11.807 1.00 0.00 O ATOM 0 H GLU A 117 -34.183 2.501 7.100 1.00 0.00 H new ATOM 0 HA GLU A 117 -36.303 2.032 9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -34.552 0.363 8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -33.334 1.401 9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -34.483 1.201 11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -35.663 0.128 10.586 1.00 0.00 H new ATOM 1847 N GLY A 118 -33.907 4.137 9.581 1.00 0.00 N ATOM 1848 CA GLY A 118 -33.468 5.231 10.396 1.00 0.00 C ATOM 1849 C GLY A 118 -33.863 6.549 9.793 1.00 0.00 C ATOM 1850 O GLY A 118 -33.008 7.389 9.488 1.00 0.00 O ATOM 0 H GLY A 118 -33.326 3.968 8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -33.898 5.141 11.393 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -32.385 5.191 10.511 1.00 0.00 H new ATOM 1854 N HIS A 119 -35.161 6.728 9.617 1.00 0.00 N ATOM 1855 CA HIS A 119 -35.704 7.930 9.014 1.00 0.00 C ATOM 1856 C HIS A 119 -35.370 9.144 9.863 1.00 0.00 C ATOM 1857 O HIS A 119 -35.673 9.180 11.057 1.00 0.00 O ATOM 1858 CB HIS A 119 -37.214 7.799 8.858 1.00 0.00 C ATOM 1859 CG HIS A 119 -37.782 8.665 7.786 1.00 0.00 C ATOM 1860 ND1 HIS A 119 -37.889 10.035 7.897 1.00 0.00 N ATOM 1861 CD2 HIS A 119 -38.265 8.350 6.563 1.00 0.00 C ATOM 1862 CE1 HIS A 119 -38.416 10.523 6.790 1.00 0.00 C ATOM 1863 NE2 HIS A 119 -38.654 9.521 5.964 1.00 0.00 N ATOM 0 H HIS A 119 -35.867 6.043 9.889 1.00 0.00 H new ATOM 0 HA HIS A 119 -35.256 8.060 8.029 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -37.459 6.759 8.641 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -37.691 8.048 9.806 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -38.332 7.360 6.137 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -38.618 11.565 6.593 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -39.061 9.604 5.032 1.00 0.00 H new ATOM 1871 N HIS A 120 -34.744 10.128 9.252 1.00 0.00 N ATOM 1872 CA HIS A 120 -34.317 11.318 9.977 1.00 0.00 C ATOM 1873 C HIS A 120 -34.697 12.602 9.231 1.00 0.00 C ATOM 1874 O HIS A 120 -35.069 13.591 9.846 1.00 0.00 O ATOM 1875 CB HIS A 120 -32.792 11.272 10.252 1.00 0.00 C ATOM 1876 CG HIS A 120 -31.926 11.318 9.017 1.00 0.00 C ATOM 1877 ND1 HIS A 120 -30.934 12.249 8.833 1.00 0.00 N ATOM 1878 CD2 HIS A 120 -31.919 10.544 7.904 1.00 0.00 C ATOM 1879 CE1 HIS A 120 -30.359 12.052 7.660 1.00 0.00 C ATOM 1880 NE2 HIS A 120 -30.941 11.023 7.073 1.00 0.00 N ATOM 0 H HIS A 120 -34.517 10.133 8.257 1.00 0.00 H new ATOM 0 HA HIS A 120 -34.841 11.328 10.932 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -32.527 12.111 10.896 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -32.564 10.361 10.805 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -32.567 9.702 7.708 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -29.548 12.636 7.250 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -30.703 10.648 6.155 1.00 0.00 H new ATOM 1888 N HIS A 121 -34.598 12.578 7.911 1.00 0.00 N ATOM 1889 CA HIS A 121 -34.892 13.746 7.096 1.00 0.00 C ATOM 1890 C HIS A 121 -35.528 13.334 5.789 1.00 0.00 C ATOM 1891 O HIS A 121 -35.382 12.189 5.350 1.00 0.00 O ATOM 1892 CB HIS A 121 -33.609 14.541 6.791 1.00 0.00 C ATOM 1893 CG HIS A 121 -33.163 15.468 7.884 1.00 0.00 C ATOM 1894 ND1 HIS A 121 -32.432 15.246 9.001 1.00 0.00 N flip ATOM 1895 CD2 HIS A 121 -33.445 16.815 7.882 1.00 0.00 C flip ATOM 1896 CE1 HIS A 121 -32.291 16.451 9.642 1.00 0.00 C flip ATOM 1897 NE2 HIS A 121 -32.909 17.380 8.950 1.00 0.00 N flip ATOM 0 H HIS A 121 -34.314 11.756 7.378 1.00 0.00 H new ATOM 0 HA HIS A 121 -35.581 14.374 7.660 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -32.804 13.837 6.582 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -33.767 15.123 5.883 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -32.056 14.349 9.309 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -34.016 17.331 7.124 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -31.757 16.610 10.567 1.00 0.00 H new ATOM 1905 N HIS A 122 -36.238 14.260 5.173 1.00 0.00 N ATOM 1906 CA HIS A 122 -36.811 14.026 3.865 1.00 0.00 C ATOM 1907 C HIS A 122 -35.742 14.294 2.831 1.00 0.00 C ATOM 1908 O HIS A 122 -34.907 15.187 3.030 1.00 0.00 O ATOM 1909 CB HIS A 122 -38.011 14.953 3.607 1.00 0.00 C ATOM 1910 CG HIS A 122 -39.153 14.772 4.558 1.00 0.00 C ATOM 1911 ND1 HIS A 122 -39.384 15.619 5.618 1.00 0.00 N ATOM 1912 CD2 HIS A 122 -40.137 13.844 4.598 1.00 0.00 C ATOM 1913 CE1 HIS A 122 -40.460 15.222 6.270 1.00 0.00 C ATOM 1914 NE2 HIS A 122 -40.937 14.146 5.672 1.00 0.00 N ATOM 0 H HIS A 122 -36.431 15.184 5.560 1.00 0.00 H new ATOM 0 HA HIS A 122 -37.164 12.996 3.808 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -37.672 15.988 3.659 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -38.371 14.786 2.592 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -40.268 13.020 3.913 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -40.880 15.697 7.145 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -41.765 13.624 5.961 1.00 0.00 H new ATOM 1922 N HIS A 123 -35.738 13.512 1.753 1.00 0.00 N ATOM 1923 CA HIS A 123 -34.755 13.655 0.655 1.00 0.00 C ATOM 1924 C HIS A 123 -33.366 13.120 1.059 1.00 0.00 C ATOM 1925 O HIS A 123 -32.661 12.527 0.243 1.00 0.00 O ATOM 1926 CB HIS A 123 -34.660 15.126 0.184 1.00 0.00 C ATOM 1927 CG HIS A 123 -33.689 15.358 -0.928 1.00 0.00 C ATOM 1928 ND1 HIS A 123 -32.421 15.861 -0.727 1.00 0.00 N ATOM 1929 CD2 HIS A 123 -33.805 15.161 -2.261 1.00 0.00 C ATOM 1930 CE1 HIS A 123 -31.803 15.962 -1.888 1.00 0.00 C ATOM 1931 NE2 HIS A 123 -32.621 15.545 -2.831 1.00 0.00 N ATOM 0 H HIS A 123 -36.411 12.759 1.606 1.00 0.00 H new ATOM 0 HA HIS A 123 -35.111 13.050 -0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -35.648 15.456 -0.138 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -34.377 15.749 1.033 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -34.670 14.773 -2.779 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -30.797 16.325 -2.039 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -32.407 15.513 -3.828 1.00 0.00 H new ATOM 1939 N HIS A 124 -32.988 13.336 2.305 1.00 0.00 N ATOM 1940 CA HIS A 124 -31.705 12.873 2.806 1.00 0.00 C ATOM 1941 C HIS A 124 -31.877 11.559 3.549 1.00 0.00 C ATOM 1942 O HIS A 124 -32.038 11.592 4.780 1.00 0.00 O ATOM 1943 CB HIS A 124 -31.073 13.918 3.736 1.00 0.00 C ATOM 1944 CG HIS A 124 -30.770 15.218 3.066 1.00 0.00 C ATOM 1945 ND1 HIS A 124 -31.542 16.346 3.228 1.00 0.00 N ATOM 1946 CD2 HIS A 124 -29.774 15.571 2.219 1.00 0.00 C ATOM 1947 CE1 HIS A 124 -31.034 17.334 2.509 1.00 0.00 C ATOM 1948 NE2 HIS A 124 -29.962 16.887 1.891 1.00 0.00 N ATOM 1949 OXT HIS A 124 -31.868 10.504 2.894 1.00 0.00 O ATOM 0 H HIS A 124 -33.554 13.832 2.993 1.00 0.00 H new ATOM 0 HA HIS A 124 -31.042 12.720 1.955 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -31.747 14.100 4.573 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -30.151 13.511 4.151 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -28.978 14.932 1.867 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -31.431 18.336 2.441 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -29.367 17.433 1.268 1.00 0.00 H new TER 1957 HIS A 124