USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1057 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 NoAdj-H: B 99 HIS HD1 : B 99 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 102 HIS HD1 : B 102 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 129 HIS HD1 : B 129 HIS ND1 : B 139 ZNZN :(H bumps) USER MOD Set 1.1: A 48 ASN : amide:sc= -26.5! C(o=-28!,f=-20!) USER MOD Set 1.2: A 52 GLN : amide:sc= -1.03 K(o=-28,f=-25) USER MOD Set 2.1: A 31 MET CE :methyl -154:sc= -1.11 (180deg=-3.3!) USER MOD Set 2.2: A 46 CYS SG : rot 16:sc= 0.572 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -174:sc= -0.305 (180deg=-0.487) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.13 X(o=-1.1,f=-1.3) USER MOD Single : A 10 GLN : amide:sc= -1.2 K(o=-1.2,f=-1.9!) USER MOD Single : A 11 THR OG1 : rot -124:sc= 1.18 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 166:sc= -2.53 USER MOD Single : A 19 THR OG1 : rot -160:sc= -1.09 USER MOD Single : A 24 ASN : amide:sc= -2.03 K(o=-2,f=-0.28) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc=-0.00977 (180deg=-0.156) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= -16.6! (180deg=-18.9!) USER MOD Single : A 39 ASN : amide:sc= -0.0964 K(o=-0.096,f=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -0.069 (180deg=-0.451) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.429! C(o=-0.43!,f=-8.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -173:sc= -6! USER MOD Single : A 71 HIS : no HD1:sc= -0.831 K(o=-0.83,f=-2.2!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 ASN : amide:sc= -4.2! K(o=-4.2!,f=-0.38) USER MOD Single : B 94 MET CE :methyl -158:sc= -1.24 (180deg=-3.27!) USER MOD Single : B 96 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.126) USER MOD Single : B 97 GLN : amide:sc= -7.05! K(o=-7.1!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -147:sc= -1.09 (180deg=-2.7!) USER MOD Single : B 110 LYS NZ :NH3+ 160:sc= -0.166 (180deg=-0.819) USER MOD Single : B 115 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-0.62) USER MOD Single : B 117 HIS : no HD1:sc= -0.441 K(o=-0.44,f=-1) USER MOD Single : B 118 TYR OH : rot 5:sc= -0.769 USER MOD Single : B 121 LYS NZ :NH3+ -164:sc=-0.00367 (180deg=-0.198) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -112:sc= 0.793 USER MOD Single : B 131 ASN : amide:sc= -0.6 K(o=-0.6,f=-5.4!) USER MOD Single : B 132 GLN : amide:sc= -0.647 K(o=-0.65,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -9.745 -10.165 -28.137 1.00 0.00 N ATOM 2 CA GLN A 1 -8.522 -9.616 -28.788 1.00 0.00 C ATOM 3 C GLN A 1 -7.747 -8.765 -27.783 1.00 0.00 C ATOM 4 O GLN A 1 -6.780 -8.113 -28.123 1.00 0.00 O ATOM 5 CB GLN A 1 -8.926 -8.751 -29.983 1.00 0.00 C ATOM 6 CG GLN A 1 -9.748 -9.588 -30.967 1.00 0.00 C ATOM 7 CD GLN A 1 -9.892 -8.831 -32.288 1.00 0.00 C ATOM 8 OE1 GLN A 1 -9.294 -9.198 -33.280 1.00 0.00 O ATOM 9 NE2 GLN A 1 -10.664 -7.780 -32.343 1.00 0.00 N ATOM 0 H1 GLN A 1 -10.218 -10.825 -28.787 1.00 0.00 H new ATOM 0 H2 GLN A 1 -9.479 -10.668 -27.267 1.00 0.00 H new ATOM 0 H3 GLN A 1 -10.393 -9.386 -27.902 1.00 0.00 H new ATOM 0 HA GLN A 1 -7.893 -10.438 -29.129 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -9.508 -7.894 -29.644 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -8.038 -8.358 -30.477 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -9.262 -10.549 -31.138 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -10.732 -9.799 -30.548 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -11.166 -7.472 -31.510 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -10.765 -7.267 -33.219 1.00 0.00 H new ATOM 20 N GLY A 2 -8.162 -8.765 -26.544 1.00 0.00 N ATOM 21 CA GLY A 2 -7.448 -7.956 -25.519 1.00 0.00 C ATOM 22 C GLY A 2 -7.938 -8.347 -24.125 1.00 0.00 C ATOM 23 O GLY A 2 -8.686 -7.627 -23.494 1.00 0.00 O ATOM 0 H GLY A 2 -8.965 -9.291 -26.199 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.373 -8.119 -25.597 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.623 -6.894 -25.692 1.00 0.00 H new ATOM 27 N SER A 3 -7.523 -9.484 -23.638 1.00 0.00 N ATOM 28 CA SER A 3 -7.968 -9.920 -22.284 1.00 0.00 C ATOM 29 C SER A 3 -7.031 -11.010 -21.763 1.00 0.00 C ATOM 30 O SER A 3 -7.445 -11.926 -21.080 1.00 0.00 O ATOM 31 CB SER A 3 -9.391 -10.468 -22.366 1.00 0.00 C ATOM 32 OG SER A 3 -9.403 -11.618 -23.200 1.00 0.00 O ATOM 0 H SER A 3 -6.896 -10.129 -24.118 1.00 0.00 H new ATOM 0 HA SER A 3 -7.946 -9.068 -21.605 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.753 -10.723 -21.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.063 -9.708 -22.765 1.00 0.00 H new ATOM 0 HG SER A 3 -10.315 -11.974 -23.254 1.00 0.00 H new ATOM 38 N ARG A 4 -5.767 -10.920 -22.076 1.00 0.00 N ATOM 39 CA ARG A 4 -4.805 -11.950 -21.596 1.00 0.00 C ATOM 40 C ARG A 4 -4.566 -11.751 -20.097 1.00 0.00 C ATOM 41 O ARG A 4 -4.615 -10.647 -19.594 1.00 0.00 O ATOM 42 CB ARG A 4 -3.479 -11.806 -22.349 1.00 0.00 C ATOM 43 CG ARG A 4 -2.499 -12.884 -21.877 1.00 0.00 C ATOM 44 CD ARG A 4 -1.207 -12.809 -22.696 1.00 0.00 C ATOM 45 NE ARG A 4 -1.525 -12.720 -24.163 1.00 0.00 N ATOM 46 CZ ARG A 4 -2.247 -13.628 -24.765 1.00 0.00 C ATOM 47 NH1 ARG A 4 -2.574 -14.731 -24.153 1.00 0.00 N ATOM 48 NH2 ARG A 4 -2.599 -13.451 -26.010 1.00 0.00 N ATOM 0 H ARG A 4 -5.360 -10.177 -22.644 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.213 -12.945 -21.775 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.647 -11.898 -23.422 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.057 -10.816 -22.176 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.277 -12.748 -20.819 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.951 -13.870 -21.984 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.624 -11.940 -22.390 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.594 -13.689 -22.502 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.168 -11.931 -24.702 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.266 -14.893 -23.194 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.138 -15.433 -24.633 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.310 -12.608 -26.507 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.162 -14.156 -26.486 1.00 0.00 H new ATOM 62 N VAL A 5 -4.307 -12.809 -19.380 1.00 0.00 N ATOM 63 CA VAL A 5 -4.067 -12.668 -17.917 1.00 0.00 C ATOM 64 C VAL A 5 -2.775 -11.881 -17.691 1.00 0.00 C ATOM 65 O VAL A 5 -1.695 -12.438 -17.650 1.00 0.00 O ATOM 66 CB VAL A 5 -3.941 -14.057 -17.285 1.00 0.00 C ATOM 67 CG1 VAL A 5 -3.839 -13.920 -15.766 1.00 0.00 C ATOM 68 CG2 VAL A 5 -5.175 -14.888 -17.641 1.00 0.00 C ATOM 0 H VAL A 5 -4.251 -13.761 -19.742 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.901 -12.137 -17.458 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.046 -14.551 -17.664 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.749 -14.909 -15.317 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.961 -13.325 -15.512 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.733 -13.428 -15.384 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.089 -15.878 -17.193 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.069 -14.394 -17.260 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.248 -14.985 -18.724 1.00 0.00 H new ATOM 78 N LEU A 6 -2.885 -10.585 -17.532 1.00 0.00 N ATOM 79 CA LEU A 6 -1.682 -9.726 -17.291 1.00 0.00 C ATOM 80 C LEU A 6 -1.871 -9.010 -15.961 1.00 0.00 C ATOM 81 O LEU A 6 -1.044 -9.081 -15.072 1.00 0.00 O ATOM 82 CB LEU A 6 -1.553 -8.689 -18.415 1.00 0.00 C ATOM 83 CG LEU A 6 -1.133 -9.377 -19.728 1.00 0.00 C ATOM 84 CD1 LEU A 6 -1.529 -8.497 -20.918 1.00 0.00 C ATOM 85 CD2 LEU A 6 0.389 -9.594 -19.757 1.00 0.00 C ATOM 0 H LEU A 6 -3.770 -10.078 -17.559 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.780 -10.338 -17.270 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.503 -8.173 -18.554 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.817 -7.934 -18.140 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.636 -10.342 -19.790 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.231 -8.985 -21.846 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.609 -8.348 -20.917 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.029 -7.532 -20.839 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.669 -10.081 -20.691 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.895 -8.631 -19.683 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.683 -10.224 -18.917 1.00 0.00 H new ATOM 97 N HIS A 7 -2.972 -8.321 -15.820 1.00 0.00 N ATOM 98 CA HIS A 7 -3.257 -7.591 -14.555 1.00 0.00 C ATOM 99 C HIS A 7 -4.761 -7.634 -14.288 1.00 0.00 C ATOM 100 O HIS A 7 -5.451 -6.648 -14.436 1.00 0.00 O ATOM 101 CB HIS A 7 -2.801 -6.138 -14.689 1.00 0.00 C ATOM 102 CG HIS A 7 -1.335 -6.103 -15.030 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.353 -6.407 -14.102 1.00 0.00 N ATOM 104 CD2 HIS A 7 -0.671 -5.799 -16.192 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.838 -6.281 -14.714 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.701 -5.912 -15.991 1.00 0.00 N ATOM 0 H HIS A 7 -3.693 -8.233 -16.537 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.722 -8.059 -13.729 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.378 -5.634 -15.464 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.982 -5.601 -13.758 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.505 -6.677 -13.130 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.142 -5.515 -17.121 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.789 -6.457 -14.232 1.00 0.00 H new ATOM 114 N VAL A 8 -5.272 -8.760 -13.878 1.00 0.00 N ATOM 115 CA VAL A 8 -6.730 -8.846 -13.586 1.00 0.00 C ATOM 116 C VAL A 8 -6.979 -8.016 -12.333 1.00 0.00 C ATOM 117 O VAL A 8 -6.055 -7.770 -11.583 1.00 0.00 O ATOM 118 CB VAL A 8 -7.115 -10.307 -13.336 1.00 0.00 C ATOM 119 CG1 VAL A 8 -8.465 -10.366 -12.628 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.212 -11.046 -14.674 1.00 0.00 C ATOM 0 H VAL A 8 -4.746 -9.622 -13.733 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.326 -8.475 -14.420 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.356 -10.779 -12.712 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.738 -11.406 -12.451 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.399 -9.841 -11.675 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.224 -9.893 -13.252 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.486 -12.086 -14.496 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.971 -10.572 -15.297 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.249 -11.006 -15.182 1.00 0.00 H new ATOM 130 N VAL A 9 -8.187 -7.550 -12.081 1.00 0.00 N ATOM 131 CA VAL A 9 -8.384 -6.713 -10.854 1.00 0.00 C ATOM 132 C VAL A 9 -9.759 -6.949 -10.229 1.00 0.00 C ATOM 133 O VAL A 9 -10.779 -6.910 -10.889 1.00 0.00 O ATOM 134 CB VAL A 9 -8.221 -5.222 -11.215 1.00 0.00 C ATOM 135 CG1 VAL A 9 -7.010 -5.031 -12.135 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.474 -4.727 -11.942 1.00 0.00 C ATOM 0 H VAL A 9 -9.017 -7.708 -12.653 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.630 -7.001 -10.121 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.074 -4.655 -10.296 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.905 -3.975 -12.383 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.109 -5.376 -11.627 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.154 -5.606 -13.050 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.355 -3.674 -12.195 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.618 -5.306 -12.854 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.342 -4.849 -11.294 1.00 0.00 H new ATOM 146 N GLN A 10 -9.777 -7.170 -8.941 1.00 0.00 N ATOM 147 CA GLN A 10 -11.059 -7.387 -8.211 1.00 0.00 C ATOM 148 C GLN A 10 -11.466 -6.085 -7.515 1.00 0.00 C ATOM 149 O GLN A 10 -10.685 -5.474 -6.812 1.00 0.00 O ATOM 150 CB GLN A 10 -10.870 -8.486 -7.163 1.00 0.00 C ATOM 151 CG GLN A 10 -10.696 -9.838 -7.857 1.00 0.00 C ATOM 152 CD GLN A 10 -10.530 -10.935 -6.803 1.00 0.00 C ATOM 153 OE1 GLN A 10 -9.647 -10.864 -5.971 1.00 0.00 O ATOM 154 NE2 GLN A 10 -11.344 -11.953 -6.804 1.00 0.00 N ATOM 0 H GLN A 10 -8.943 -7.210 -8.355 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.836 -7.687 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.998 -8.268 -6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.731 -8.517 -6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.561 -10.050 -8.485 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.825 -9.813 -8.512 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.085 -12.013 -7.502 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.240 -12.690 -6.107 1.00 0.00 H new ATOM 163 N THR A 11 -12.680 -5.661 -7.710 1.00 0.00 N ATOM 164 CA THR A 11 -13.158 -4.401 -7.072 1.00 0.00 C ATOM 165 C THR A 11 -13.152 -4.534 -5.564 1.00 0.00 C ATOM 166 O THR A 11 -13.265 -5.605 -5.001 1.00 0.00 O ATOM 167 CB THR A 11 -14.576 -4.119 -7.533 1.00 0.00 C ATOM 168 OG1 THR A 11 -14.618 -4.128 -8.950 1.00 0.00 O ATOM 169 CG2 THR A 11 -15.061 -2.761 -7.001 1.00 0.00 C ATOM 0 H THR A 11 -13.371 -6.137 -8.290 1.00 0.00 H new ATOM 0 HA THR A 11 -12.493 -3.587 -7.360 1.00 0.00 H new ATOM 0 HB THR A 11 -15.236 -4.893 -7.141 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.980 -3.276 -9.272 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.080 -2.579 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.040 -2.769 -5.911 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.407 -1.971 -7.371 1.00 0.00 H new ATOM 177 N LEU A 12 -13.036 -3.420 -4.918 1.00 5.40 N ATOM 178 CA LEU A 12 -13.031 -3.368 -3.427 1.00 9.02 C ATOM 179 C LEU A 12 -14.290 -2.617 -2.999 1.00 10.54 C ATOM 180 O LEU A 12 -14.707 -2.683 -1.857 1.00 10.21 O ATOM 181 CB LEU A 12 -11.791 -2.581 -2.925 1.00 7.97 C ATOM 182 CG LEU A 12 -10.404 -3.249 -3.263 1.00 7.96 C ATOM 183 CD1 LEU A 12 -9.270 -2.308 -2.849 1.00 6.40 C ATOM 184 CD2 LEU A 12 -10.163 -4.594 -2.555 1.00 6.66 C ATOM 0 H LEU A 12 -12.941 -2.510 -5.369 1.00 5.40 H new ATOM 0 HA LEU A 12 -13.001 -4.376 -3.013 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -11.812 -1.581 -3.359 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -11.867 -2.461 -1.844 1.00 7.97 H new ATOM 0 HG LEU A 12 -10.424 -3.436 -4.337 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -8.311 -2.770 -3.083 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -9.362 -1.367 -3.392 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -9.329 -2.116 -1.778 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -9.187 -4.986 -2.841 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -10.193 -4.447 -1.475 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -10.938 -5.303 -2.846 1.00 6.66 H new ATOM 196 N TYR A 13 -14.904 -1.890 -3.903 1.00 12.19 N ATOM 197 CA TYR A 13 -16.141 -1.128 -3.525 1.00 12.32 C ATOM 198 C TYR A 13 -17.096 -0.994 -4.739 1.00 14.17 C ATOM 199 O TYR A 13 -16.628 -0.839 -5.850 1.00 14.79 O ATOM 200 CB TYR A 13 -15.738 0.273 -3.056 1.00 14.83 C ATOM 201 CG TYR A 13 -14.530 0.176 -2.153 1.00 15.75 C ATOM 202 CD1 TYR A 13 -14.682 -0.223 -0.821 1.00 18.39 C ATOM 203 CD2 TYR A 13 -13.257 0.489 -2.649 1.00 10.85 C ATOM 204 CE1 TYR A 13 -13.564 -0.311 0.017 1.00 12.56 C ATOM 205 CE2 TYR A 13 -12.139 0.402 -1.812 1.00 10.94 C ATOM 206 CZ TYR A 13 -12.292 0.003 -0.479 1.00 12.35 C ATOM 207 OH TYR A 13 -11.188 -0.084 0.347 1.00 12.20 O ATOM 0 H TYR A 13 -14.608 -1.791 -4.874 1.00 12.19 H new ATOM 0 HA TYR A 13 -16.655 -1.667 -2.729 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -15.513 0.905 -3.915 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -16.566 0.742 -2.524 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -15.663 -0.463 -0.439 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -13.139 0.797 -3.677 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -13.682 -0.621 1.045 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -11.158 0.643 -2.194 1.00 10.94 H new ATOM 0 HH TYR A 13 -10.384 0.167 -0.154 1.00 12.20 H new ATOM 217 N PRO A 14 -18.411 -1.025 -4.511 1.00 0.00 N ATOM 218 CA PRO A 14 -19.391 -0.869 -5.614 1.00 0.00 C ATOM 219 C PRO A 14 -19.401 0.599 -6.072 1.00 0.00 C ATOM 220 O PRO A 14 -20.241 1.379 -5.664 1.00 0.00 O ATOM 221 CB PRO A 14 -20.748 -1.246 -4.983 1.00 0.00 C ATOM 222 CG PRO A 14 -20.557 -1.194 -3.443 1.00 0.00 C ATOM 223 CD PRO A 14 -19.035 -1.219 -3.174 1.00 0.00 C ATOM 0 HA PRO A 14 -19.162 -1.485 -6.484 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -21.527 -0.553 -5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -21.059 -2.241 -5.301 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -21.007 -0.291 -3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -21.047 -2.042 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -18.742 -0.429 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.727 -2.164 -2.727 1.00 0.00 H new ATOM 231 N PHE A 15 -18.471 0.988 -6.892 1.00 0.00 N ATOM 232 CA PHE A 15 -18.429 2.410 -7.348 1.00 0.00 C ATOM 233 C PHE A 15 -19.569 2.706 -8.317 1.00 0.00 C ATOM 234 O PHE A 15 -20.264 1.823 -8.775 1.00 0.00 O ATOM 235 CB PHE A 15 -17.107 2.683 -8.057 1.00 0.00 C ATOM 236 CG PHE A 15 -16.933 4.177 -8.309 1.00 0.00 C ATOM 237 CD1 PHE A 15 -16.968 5.094 -7.243 1.00 0.00 C ATOM 238 CD2 PHE A 15 -16.733 4.647 -9.618 1.00 0.00 C ATOM 239 CE1 PHE A 15 -16.802 6.462 -7.487 1.00 0.00 C ATOM 240 CE2 PHE A 15 -16.569 6.016 -9.857 1.00 0.00 C ATOM 241 CZ PHE A 15 -16.603 6.923 -8.793 1.00 0.00 C ATOM 0 H PHE A 15 -17.737 0.388 -7.269 1.00 0.00 H new ATOM 0 HA PHE A 15 -18.530 3.049 -6.471 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.280 2.312 -7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -17.077 2.143 -9.003 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -17.123 4.742 -6.234 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -16.706 3.950 -10.442 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -16.828 7.163 -6.666 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -16.416 6.373 -10.865 1.00 0.00 H new ATOM 0 HZ PHE A 15 -16.476 7.979 -8.979 1.00 0.00 H new ATOM 251 N SER A 16 -19.753 3.964 -8.630 1.00 0.00 N ATOM 252 CA SER A 16 -20.839 4.361 -9.580 1.00 0.00 C ATOM 253 C SER A 16 -20.308 5.422 -10.539 1.00 0.00 C ATOM 254 O SER A 16 -20.029 6.541 -10.165 1.00 0.00 O ATOM 255 CB SER A 16 -22.025 4.926 -8.796 1.00 0.00 C ATOM 256 OG SER A 16 -22.649 3.876 -8.068 1.00 0.00 O ATOM 0 H SER A 16 -19.196 4.737 -8.267 1.00 0.00 H new ATOM 0 HA SER A 16 -21.165 3.488 -10.146 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.687 5.706 -8.114 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.740 5.387 -9.477 1.00 0.00 H new ATOM 0 HG SER A 16 -23.409 4.234 -7.563 1.00 0.00 H new ATOM 262 N SER A 17 -20.165 5.056 -11.783 1.00 0.00 N ATOM 263 CA SER A 17 -19.652 6.000 -12.814 1.00 0.00 C ATOM 264 C SER A 17 -20.543 5.889 -14.051 1.00 0.00 C ATOM 265 O SER A 17 -20.548 4.880 -14.727 1.00 0.00 O ATOM 266 CB SER A 17 -18.202 5.619 -13.135 1.00 0.00 C ATOM 267 OG SER A 17 -17.455 6.798 -13.394 1.00 0.00 O ATOM 0 H SER A 17 -20.387 4.124 -12.134 1.00 0.00 H new ATOM 0 HA SER A 17 -19.672 7.031 -12.462 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.764 5.073 -12.300 1.00 0.00 H new ATOM 0 HB3 SER A 17 -18.171 4.957 -14.000 1.00 0.00 H new ATOM 0 HG SER A 17 -16.498 6.589 -13.377 1.00 0.00 H new ATOM 273 N VAL A 18 -21.299 6.919 -14.356 1.00 0.00 N ATOM 274 CA VAL A 18 -22.192 6.872 -15.538 1.00 0.00 C ATOM 275 C VAL A 18 -21.981 8.125 -16.373 1.00 0.00 C ATOM 276 O VAL A 18 -22.589 9.158 -16.180 1.00 0.00 O ATOM 277 CB VAL A 18 -23.653 6.807 -15.062 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.868 5.542 -14.228 1.00 0.00 C ATOM 279 CG2 VAL A 18 -23.964 8.038 -14.202 1.00 0.00 C ATOM 0 H VAL A 18 -21.329 7.791 -13.828 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.966 5.992 -16.141 1.00 0.00 H new ATOM 0 HB VAL A 18 -24.313 6.787 -15.929 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.904 5.499 -13.892 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.647 4.664 -14.835 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -23.207 5.560 -13.362 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -24.999 7.993 -13.864 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -23.300 8.055 -13.338 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -23.814 8.942 -14.793 1.00 0.00 H new ATOM 289 N THR A 19 -21.136 7.987 -17.328 1.00 38.32 N ATOM 290 CA THR A 19 -20.830 9.093 -18.283 1.00 37.06 C ATOM 291 C THR A 19 -20.586 8.468 -19.648 1.00 36.60 C ATOM 292 O THR A 19 -21.080 7.401 -19.958 1.00 36.42 O ATOM 293 CB THR A 19 -19.566 9.869 -17.843 1.00 37.05 C ATOM 294 OG1 THR A 19 -19.500 9.892 -16.426 1.00 37.96 O ATOM 295 CG2 THR A 19 -19.622 11.310 -18.368 1.00 37.86 C ATOM 0 H THR A 19 -20.618 7.127 -17.505 1.00 38.32 H new ATOM 0 HA THR A 19 -21.664 9.795 -18.312 1.00 37.06 H new ATOM 0 HB THR A 19 -18.684 9.373 -18.250 1.00 37.05 H new ATOM 0 HG1 THR A 19 -18.912 10.621 -16.138 1.00 37.96 H new ATOM 0 HG21 THR A 19 -18.728 11.847 -18.053 1.00 37.86 H new ATOM 0 HG22 THR A 19 -19.674 11.299 -19.457 1.00 37.86 H new ATOM 0 HG23 THR A 19 -20.505 11.809 -17.968 1.00 37.86 H new ATOM 303 N GLU A 20 -19.801 9.109 -20.441 1.00 36.33 N ATOM 304 CA GLU A 20 -19.468 8.592 -21.743 1.00 36.39 C ATOM 305 C GLU A 20 -18.330 7.576 -21.545 1.00 30.94 C ATOM 306 O GLU A 20 -18.408 6.447 -21.989 1.00 31.73 O ATOM 307 CB GLU A 20 -19.079 9.816 -22.581 1.00 41.00 C ATOM 308 CG GLU A 20 -20.288 10.654 -22.797 1.00 49.07 C ATOM 309 CD GLU A 20 -19.919 11.932 -23.553 1.00 52.00 C ATOM 310 OE1 GLU A 20 -18.753 12.091 -23.874 1.00 54.38 O ATOM 311 OE2 GLU A 20 -20.812 12.726 -23.802 1.00 55.13 O ATOM 0 H GLU A 20 -19.367 10.004 -20.216 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.273 8.067 -22.257 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -18.307 10.392 -22.071 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -18.662 9.501 -23.538 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -21.033 10.092 -23.361 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -20.739 10.908 -21.838 1.00 49.07 H new ATOM 318 N GLU A 21 -17.261 7.988 -20.912 1.00 0.00 N ATOM 319 CA GLU A 21 -16.099 7.110 -20.702 1.00 0.00 C ATOM 320 C GLU A 21 -15.977 6.709 -19.215 1.00 0.00 C ATOM 321 O GLU A 21 -14.891 6.472 -18.724 1.00 0.00 O ATOM 322 CB GLU A 21 -14.893 7.941 -21.141 1.00 0.00 C ATOM 323 CG GLU A 21 -14.967 8.175 -22.640 1.00 0.00 C ATOM 324 CD GLU A 21 -13.816 9.077 -23.090 1.00 0.00 C ATOM 325 OE1 GLU A 21 -13.017 9.454 -22.249 1.00 0.00 O ATOM 326 OE2 GLU A 21 -13.751 9.375 -24.271 1.00 0.00 O ATOM 0 H GLU A 21 -17.155 8.926 -20.526 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.181 6.180 -21.265 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.881 8.894 -20.612 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.968 7.424 -20.887 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.920 7.222 -23.167 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.921 8.635 -22.897 1.00 0.00 H new ATOM 333 N GLU A 22 -17.071 6.639 -18.496 1.00 0.00 N ATOM 334 CA GLU A 22 -17.003 6.266 -17.040 1.00 0.00 C ATOM 335 C GLU A 22 -17.381 4.781 -16.862 1.00 0.00 C ATOM 336 O GLU A 22 -18.120 4.223 -17.647 1.00 0.00 O ATOM 337 CB GLU A 22 -17.972 7.185 -16.262 1.00 0.00 C ATOM 338 CG GLU A 22 -17.212 8.366 -15.623 1.00 0.00 C ATOM 339 CD GLU A 22 -16.589 9.229 -16.720 1.00 0.00 C ATOM 340 OE1 GLU A 22 -16.574 8.787 -17.857 1.00 0.00 O ATOM 341 OE2 GLU A 22 -16.137 10.318 -16.405 1.00 0.00 O ATOM 0 H GLU A 22 -18.010 6.823 -18.850 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.992 6.398 -16.655 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.741 7.563 -16.935 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -18.481 6.612 -15.487 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.893 8.965 -15.018 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.436 7.993 -14.955 1.00 0.00 H new ATOM 348 N LEU A 23 -16.843 4.131 -15.843 1.00 11.68 N ATOM 349 CA LEU A 23 -17.125 2.666 -15.611 1.00 7.71 C ATOM 350 C LEU A 23 -17.971 2.468 -14.343 1.00 8.71 C ATOM 351 O LEU A 23 -17.490 2.650 -13.242 1.00 10.83 O ATOM 352 CB LEU A 23 -15.775 1.931 -15.413 1.00 7.16 C ATOM 353 CG LEU A 23 -15.887 0.394 -15.619 1.00 8.46 C ATOM 354 CD1 LEU A 23 -17.195 -0.173 -15.063 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.788 0.046 -17.100 1.00 2.00 C ATOM 0 H LEU A 23 -16.217 4.556 -15.159 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.670 2.272 -16.469 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -15.042 2.334 -16.112 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -15.402 2.132 -14.409 1.00 7.16 H new ATOM 0 HG LEU A 23 -15.059 -0.055 -15.071 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.226 -1.250 -15.231 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -17.254 0.029 -13.993 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -18.039 0.297 -15.568 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -15.868 -1.034 -17.226 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.596 0.536 -17.644 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.829 0.387 -17.490 1.00 2.00 H new ATOM 367 N ASN A 24 -19.202 2.054 -14.478 1.00 0.00 N ATOM 368 CA ASN A 24 -20.045 1.792 -13.268 1.00 0.00 C ATOM 369 C ASN A 24 -19.930 0.295 -12.982 1.00 0.00 C ATOM 370 O ASN A 24 -20.121 -0.513 -13.867 1.00 0.00 O ATOM 371 CB ASN A 24 -21.511 2.151 -13.554 1.00 0.00 C ATOM 372 CG ASN A 24 -22.421 1.545 -12.480 1.00 0.00 C ATOM 373 OD1 ASN A 24 -23.511 1.099 -12.771 1.00 0.00 O ATOM 374 ND2 ASN A 24 -22.014 1.510 -11.241 1.00 0.00 N ATOM 0 H ASN A 24 -19.663 1.885 -15.372 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.713 2.392 -12.420 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -21.631 3.234 -13.574 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.799 1.780 -14.538 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -22.612 1.108 -10.519 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -21.098 1.884 -10.994 1.00 0.00 H new ATOM 381 N PHE A 25 -19.591 -0.106 -11.780 1.00 6.72 N ATOM 382 CA PHE A 25 -19.452 -1.564 -11.537 1.00 6.82 C ATOM 383 C PHE A 25 -19.717 -1.897 -10.079 1.00 7.56 C ATOM 384 O PHE A 25 -19.349 -1.170 -9.176 1.00 6.07 O ATOM 385 CB PHE A 25 -18.046 -2.030 -11.949 1.00 9.59 C ATOM 386 CG PHE A 25 -16.937 -1.253 -11.233 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.809 0.145 -11.367 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.996 -1.949 -10.464 1.00 11.29 C ATOM 389 CE1 PHE A 25 -15.762 0.819 -10.732 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.948 -1.270 -9.837 1.00 11.14 C ATOM 391 CZ PHE A 25 -14.832 0.113 -9.969 1.00 12.44 C ATOM 0 H PHE A 25 -19.410 0.500 -10.980 1.00 6.72 H new ATOM 0 HA PHE A 25 -20.191 -2.090 -12.141 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.940 -3.093 -11.730 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.929 -1.913 -13.026 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -17.522 0.696 -11.962 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -16.081 -3.020 -10.355 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -15.673 1.891 -10.833 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -14.226 -1.818 -9.249 1.00 11.14 H new ATOM 0 HZ PHE A 25 -14.023 0.637 -9.481 1.00 12.44 H new ATOM 401 N GLU A 26 -20.360 -3.008 -9.851 1.00 0.00 N ATOM 402 CA GLU A 26 -20.666 -3.425 -8.460 1.00 0.00 C ATOM 403 C GLU A 26 -19.448 -4.148 -7.902 1.00 0.00 C ATOM 404 O GLU A 26 -18.638 -4.675 -8.639 1.00 0.00 O ATOM 405 CB GLU A 26 -21.895 -4.350 -8.450 1.00 0.00 C ATOM 406 CG GLU A 26 -21.535 -5.744 -8.990 1.00 0.00 C ATOM 407 CD GLU A 26 -20.789 -5.609 -10.318 1.00 0.00 C ATOM 408 OE1 GLU A 26 -21.249 -4.853 -11.160 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.770 -6.261 -10.474 1.00 0.00 O ATOM 0 H GLU A 26 -20.688 -3.647 -10.575 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.893 -2.555 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -22.282 -4.437 -7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -22.689 -3.914 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.916 -6.275 -8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.440 -6.335 -9.129 1.00 0.00 H new ATOM 416 N LYS A 27 -19.303 -4.170 -6.619 1.00 8.66 N ATOM 417 CA LYS A 27 -18.132 -4.848 -6.033 1.00 8.68 C ATOM 418 C LYS A 27 -18.078 -6.292 -6.528 1.00 6.65 C ATOM 419 O LYS A 27 -19.092 -6.915 -6.775 1.00 10.38 O ATOM 420 CB LYS A 27 -18.252 -4.782 -4.514 1.00 12.96 C ATOM 421 CG LYS A 27 -19.341 -5.754 -4.001 1.00 12.48 C ATOM 422 CD LYS A 27 -18.704 -7.070 -3.515 1.00 20.52 C ATOM 423 CE LYS A 27 -18.212 -6.911 -2.073 1.00 28.24 C ATOM 424 NZ LYS A 27 -19.376 -6.957 -1.143 1.00 29.03 N ATOM 0 H LYS A 27 -19.946 -3.747 -5.949 1.00 8.66 H new ATOM 0 HA LYS A 27 -17.206 -4.359 -6.336 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -17.293 -5.031 -4.059 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -18.495 -3.764 -4.209 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -19.897 -5.290 -3.186 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -20.056 -5.961 -4.797 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -19.432 -7.879 -3.573 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -17.872 -7.343 -4.164 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -17.506 -7.705 -1.829 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -17.680 -5.966 -1.961 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -19.040 -7.139 -0.176 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -19.878 -6.047 -1.170 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -20.023 -7.718 -1.434 1.00 29.03 H new ATOM 438 N GLY A 28 -16.897 -6.826 -6.693 1.00 5.06 N ATOM 439 CA GLY A 28 -16.770 -8.224 -7.194 1.00 4.39 C ATOM 440 C GLY A 28 -16.833 -8.220 -8.724 1.00 6.18 C ATOM 441 O GLY A 28 -17.505 -9.035 -9.323 1.00 5.61 O ATOM 0 H GLY A 28 -16.014 -6.353 -6.502 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.829 -8.659 -6.858 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -17.570 -8.843 -6.787 1.00 4.39 H new ATOM 445 N GLU A 29 -16.138 -7.304 -9.358 1.00 7.06 N ATOM 446 CA GLU A 29 -16.151 -7.227 -10.857 1.00 6.19 C ATOM 447 C GLU A 29 -14.729 -7.427 -11.390 1.00 6.67 C ATOM 448 O GLU A 29 -13.857 -6.607 -11.179 1.00 8.12 O ATOM 449 CB GLU A 29 -16.645 -5.829 -11.282 1.00 6.64 C ATOM 450 CG GLU A 29 -17.087 -5.763 -12.778 1.00 9.52 C ATOM 451 CD GLU A 29 -16.605 -6.978 -13.584 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.285 -7.991 -13.556 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.573 -6.870 -14.220 1.00 8.99 O ATOM 0 H GLU A 29 -15.558 -6.601 -8.899 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.808 -7.999 -11.257 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.483 -5.539 -10.649 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.850 -5.102 -11.112 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.174 -5.703 -12.831 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.695 -4.852 -13.230 1.00 9.52 H new ATOM 460 N THR A 30 -14.495 -8.487 -12.100 1.00 0.00 N ATOM 461 CA THR A 30 -13.139 -8.713 -12.674 1.00 0.00 C ATOM 462 C THR A 30 -12.960 -7.735 -13.818 1.00 0.00 C ATOM 463 O THR A 30 -13.575 -7.892 -14.854 1.00 0.00 O ATOM 464 CB THR A 30 -13.079 -10.127 -13.257 1.00 0.00 C ATOM 465 OG1 THR A 30 -13.694 -11.039 -12.358 1.00 0.00 O ATOM 466 CG2 THR A 30 -11.625 -10.525 -13.485 1.00 0.00 C ATOM 0 H THR A 30 -15.182 -9.211 -12.311 1.00 0.00 H new ATOM 0 HA THR A 30 -12.372 -8.584 -11.910 1.00 0.00 H new ATOM 0 HB THR A 30 -13.609 -10.150 -14.209 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.657 -11.944 -12.733 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.584 -11.532 -13.900 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.161 -9.826 -14.182 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.088 -10.502 -12.537 1.00 0.00 H new ATOM 474 N MET A 31 -12.139 -6.730 -13.670 1.00 0.00 N ATOM 475 CA MET A 31 -11.968 -5.772 -14.796 1.00 0.00 C ATOM 476 C MET A 31 -10.637 -5.992 -15.484 1.00 0.00 C ATOM 477 O MET A 31 -9.598 -6.158 -14.882 1.00 0.00 O ATOM 478 CB MET A 31 -12.133 -4.328 -14.299 1.00 0.00 C ATOM 479 CG MET A 31 -13.633 -4.062 -13.986 1.00 0.00 C ATOM 480 SD MET A 31 -13.817 -3.499 -12.273 1.00 0.00 S ATOM 481 CE MET A 31 -13.303 -1.788 -12.553 1.00 0.00 C ATOM 0 H MET A 31 -11.589 -6.534 -12.834 1.00 0.00 H new ATOM 0 HA MET A 31 -12.746 -5.951 -15.538 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.529 -4.167 -13.406 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.777 -3.628 -15.055 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.028 -3.310 -14.669 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.213 -4.972 -14.143 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.898 -1.374 -11.630 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.538 -1.760 -13.329 1.00 0.00 H new ATOM 0 HE3 MET A 31 -14.163 -1.197 -12.869 1.00 0.00 H new ATOM 491 N GLU A 32 -10.715 -6.019 -16.773 1.00 0.00 N ATOM 492 CA GLU A 32 -9.546 -6.252 -17.639 1.00 0.00 C ATOM 493 C GLU A 32 -8.943 -4.886 -17.970 1.00 0.00 C ATOM 494 O GLU A 32 -9.475 -4.132 -18.758 1.00 0.00 O ATOM 495 CB GLU A 32 -10.044 -6.991 -18.908 1.00 0.00 C ATOM 496 CG GLU A 32 -11.595 -6.988 -18.954 1.00 0.00 C ATOM 497 CD GLU A 32 -12.059 -7.474 -20.328 1.00 0.00 C ATOM 498 OE1 GLU A 32 -11.246 -7.485 -21.236 1.00 0.00 O ATOM 499 OE2 GLU A 32 -13.221 -7.830 -20.447 1.00 0.00 O ATOM 0 H GLU A 32 -11.587 -5.882 -17.285 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.779 -6.864 -17.163 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.645 -6.507 -19.800 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.675 -8.016 -18.909 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.995 -7.634 -18.172 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.974 -5.984 -18.763 1.00 0.00 H new ATOM 506 N VAL A 33 -7.863 -4.549 -17.327 1.00 0.00 N ATOM 507 CA VAL A 33 -7.251 -3.212 -17.552 1.00 0.00 C ATOM 508 C VAL A 33 -6.775 -3.047 -19.001 1.00 0.00 C ATOM 509 O VAL A 33 -5.654 -3.383 -19.331 1.00 0.00 O ATOM 510 CB VAL A 33 -6.062 -3.034 -16.601 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.750 -1.542 -16.442 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.410 -3.624 -15.232 1.00 0.00 C ATOM 0 H VAL A 33 -7.377 -5.142 -16.654 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.009 -2.453 -17.358 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.193 -3.547 -17.012 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.904 -1.417 -15.766 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.503 -1.116 -17.414 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.621 -1.030 -16.033 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.565 -3.497 -14.556 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.281 -3.110 -14.825 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.633 -4.686 -15.339 1.00 0.00 H new ATOM 522 N ILE A 34 -7.602 -2.514 -19.866 1.00 0.00 N ATOM 523 CA ILE A 34 -7.155 -2.319 -21.286 1.00 0.00 C ATOM 524 C ILE A 34 -5.921 -1.400 -21.334 1.00 0.00 C ATOM 525 O ILE A 34 -4.942 -1.703 -21.986 1.00 0.00 O ATOM 526 CB ILE A 34 -8.264 -1.658 -22.131 1.00 0.00 C ATOM 527 CG1 ILE A 34 -9.443 -2.628 -22.307 1.00 0.00 C ATOM 528 CG2 ILE A 34 -7.691 -1.288 -23.514 1.00 0.00 C ATOM 529 CD1 ILE A 34 -10.609 -1.928 -23.030 1.00 0.00 C ATOM 0 H ILE A 34 -8.553 -2.209 -19.659 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.919 -3.304 -21.689 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.618 -0.761 -21.623 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.123 -3.500 -22.878 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.774 -2.989 -21.333 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.469 -0.820 -24.117 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.861 -0.592 -23.390 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.337 -2.189 -24.014 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.437 -2.627 -23.147 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.939 -1.071 -22.443 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.278 -1.590 -24.012 1.00 0.00 H new ATOM 541 N GLU A 35 -5.976 -0.259 -20.686 1.00 0.00 N ATOM 542 CA GLU A 35 -4.821 0.692 -20.744 1.00 0.00 C ATOM 543 C GLU A 35 -4.688 1.454 -19.443 1.00 0.00 C ATOM 544 O GLU A 35 -5.619 1.567 -18.667 1.00 0.00 O ATOM 545 CB GLU A 35 -5.040 1.685 -21.897 1.00 0.00 C ATOM 546 CG GLU A 35 -3.698 2.276 -22.348 1.00 0.00 C ATOM 547 CD GLU A 35 -2.941 1.244 -23.186 1.00 0.00 C ATOM 548 OE1 GLU A 35 -3.531 0.714 -24.112 1.00 0.00 O ATOM 549 OE2 GLU A 35 -1.782 1.003 -22.888 1.00 0.00 O ATOM 0 H GLU A 35 -6.767 0.053 -20.122 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.906 0.123 -20.908 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.524 1.181 -22.734 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.709 2.484 -21.577 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.865 3.182 -22.931 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.104 2.561 -21.480 1.00 0.00 H new ATOM 556 N LYS A 36 -3.507 1.957 -19.187 1.00 0.00 N ATOM 557 CA LYS A 36 -3.250 2.694 -17.923 1.00 0.00 C ATOM 558 C LYS A 36 -2.460 3.990 -18.196 1.00 0.00 C ATOM 559 O LYS A 36 -1.345 4.130 -17.733 1.00 0.00 O ATOM 560 CB LYS A 36 -2.415 1.771 -17.009 1.00 0.00 C ATOM 561 CG LYS A 36 -2.887 0.301 -17.145 1.00 0.00 C ATOM 562 CD LYS A 36 -2.076 -0.442 -18.223 1.00 0.00 C ATOM 563 CE LYS A 36 -2.801 -1.739 -18.623 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.182 -1.439 -19.094 1.00 0.00 N ATOM 0 H LYS A 36 -2.703 1.885 -19.811 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.196 2.966 -17.454 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.360 1.846 -17.273 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.508 2.095 -15.972 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.779 -0.209 -16.188 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.946 0.278 -17.401 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.946 0.196 -19.097 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.080 -0.673 -17.846 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.244 -2.246 -19.410 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.840 -2.419 -17.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.825 -2.199 -18.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.499 -0.535 -18.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.188 -1.373 -20.132 1.00 0.00 H new ATOM 578 N PRO A 37 -3.065 4.924 -18.899 1.00 0.00 N ATOM 579 CA PRO A 37 -2.424 6.215 -19.180 1.00 0.00 C ATOM 580 C PRO A 37 -2.449 7.065 -17.916 1.00 0.00 C ATOM 581 O PRO A 37 -3.170 6.791 -16.978 1.00 0.00 O ATOM 582 CB PRO A 37 -3.284 6.867 -20.273 1.00 0.00 C ATOM 583 CG PRO A 37 -4.606 6.069 -20.328 1.00 0.00 C ATOM 584 CD PRO A 37 -4.409 4.778 -19.494 1.00 0.00 C ATOM 0 HA PRO A 37 -1.387 6.109 -19.497 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.473 7.916 -20.043 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.774 6.839 -21.236 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.428 6.662 -19.927 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.863 5.824 -21.359 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.175 4.681 -18.725 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.472 3.888 -20.120 1.00 0.00 H new ATOM 592 N GLU A 38 -1.679 8.100 -17.902 1.00 0.00 N ATOM 593 CA GLU A 38 -1.659 9.000 -16.709 1.00 0.00 C ATOM 594 C GLU A 38 -2.679 10.116 -16.936 1.00 0.00 C ATOM 595 O GLU A 38 -3.475 10.414 -16.073 1.00 0.00 O ATOM 596 CB GLU A 38 -0.256 9.602 -16.549 1.00 0.00 C ATOM 597 CG GLU A 38 -0.136 10.317 -15.195 1.00 0.00 C ATOM 598 CD GLU A 38 -0.798 11.697 -15.260 1.00 0.00 C ATOM 599 OE1 GLU A 38 -1.118 12.135 -16.352 1.00 0.00 O ATOM 600 OE2 GLU A 38 -0.971 12.292 -14.210 1.00 0.00 O ATOM 0 H GLU A 38 -1.056 8.373 -18.662 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.909 8.443 -15.806 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.495 8.816 -16.621 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.060 10.305 -17.358 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.607 9.717 -14.417 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.914 10.423 -14.924 1.00 0.00 H new ATOM 607 N ASN A 39 -2.656 10.701 -18.111 1.00 0.00 N ATOM 608 CA ASN A 39 -3.609 11.796 -18.476 1.00 0.00 C ATOM 609 C ASN A 39 -3.482 12.952 -17.484 1.00 0.00 C ATOM 610 O ASN A 39 -3.145 14.062 -17.846 1.00 0.00 O ATOM 611 CB ASN A 39 -5.049 11.253 -18.474 1.00 0.00 C ATOM 612 CG ASN A 39 -5.314 10.488 -19.773 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.454 10.397 -20.627 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.479 9.930 -19.960 1.00 0.00 N ATOM 0 H ASN A 39 -1.998 10.457 -18.851 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.368 12.162 -19.474 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.199 10.596 -17.617 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.758 12.075 -18.374 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.667 9.418 -20.822 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.202 10.006 -19.244 1.00 0.00 H new ATOM 621 N ASP A 40 -3.718 12.675 -16.238 1.00 0.00 N ATOM 622 CA ASP A 40 -3.604 13.713 -15.170 1.00 0.00 C ATOM 623 C ASP A 40 -4.257 13.270 -13.834 1.00 0.00 C ATOM 624 O ASP A 40 -3.658 13.419 -12.788 1.00 0.00 O ATOM 625 CB ASP A 40 -4.148 15.103 -15.635 1.00 0.00 C ATOM 626 CG ASP A 40 -2.987 16.063 -15.929 1.00 0.00 C ATOM 627 OD1 ASP A 40 -1.963 15.596 -16.399 1.00 0.00 O ATOM 628 OD2 ASP A 40 -3.144 17.247 -15.677 1.00 0.00 O ATOM 0 H ASP A 40 -3.992 11.752 -15.901 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.537 13.828 -14.979 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.761 14.980 -16.528 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.791 15.526 -14.863 1.00 0.00 H new ATOM 633 N PRO A 41 -5.449 12.760 -13.902 1.00 0.00 N ATOM 634 CA PRO A 41 -6.190 12.311 -12.710 1.00 0.00 C ATOM 635 C PRO A 41 -5.517 11.068 -12.112 1.00 0.00 C ATOM 636 O PRO A 41 -5.100 11.090 -10.976 1.00 0.00 O ATOM 637 CB PRO A 41 -7.606 11.981 -13.237 1.00 0.00 C ATOM 638 CG PRO A 41 -7.577 12.160 -14.783 1.00 0.00 C ATOM 639 CD PRO A 41 -6.146 12.593 -15.161 1.00 0.00 C ATOM 0 HA PRO A 41 -6.217 13.060 -11.918 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.886 10.961 -12.973 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.347 12.642 -12.787 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.843 11.229 -15.284 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.303 12.910 -15.098 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.659 11.841 -15.783 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.154 13.522 -15.732 1.00 0.00 H new ATOM 647 N GLU A 42 -5.429 10.009 -12.905 1.00 0.00 N ATOM 648 CA GLU A 42 -4.803 8.692 -12.487 1.00 0.00 C ATOM 649 C GLU A 42 -5.758 7.544 -12.871 1.00 0.00 C ATOM 650 O GLU A 42 -5.561 6.404 -12.501 1.00 0.00 O ATOM 651 CB GLU A 42 -4.510 8.636 -10.972 1.00 0.00 C ATOM 652 CG GLU A 42 -3.868 7.287 -10.591 1.00 0.00 C ATOM 653 CD GLU A 42 -3.254 7.373 -9.189 1.00 0.00 C ATOM 654 OE1 GLU A 42 -2.396 8.216 -8.992 1.00 0.00 O ATOM 655 OE2 GLU A 42 -3.653 6.594 -8.340 1.00 0.00 O ATOM 0 H GLU A 42 -5.780 10.005 -13.863 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.849 8.593 -13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.844 9.453 -10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.435 8.775 -10.412 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.619 6.497 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.099 7.023 -11.317 1.00 0.00 H new ATOM 662 N TRP A 43 -6.796 7.833 -13.617 1.00 14.29 N ATOM 663 CA TRP A 43 -7.759 6.762 -14.019 1.00 10.30 C ATOM 664 C TRP A 43 -7.124 5.830 -15.059 1.00 6.82 C ATOM 665 O TRP A 43 -6.099 6.133 -15.633 1.00 6.91 O ATOM 666 CB TRP A 43 -9.015 7.404 -14.604 1.00 13.39 C ATOM 667 CG TRP A 43 -9.470 8.535 -13.741 1.00 11.71 C ATOM 668 CD1 TRP A 43 -9.084 8.752 -12.463 1.00 13.93 C ATOM 669 CD2 TRP A 43 -10.404 9.602 -14.070 1.00 7.44 C ATOM 670 NE1 TRP A 43 -9.717 9.880 -11.991 1.00 6.63 N ATOM 671 CE2 TRP A 43 -10.539 10.442 -12.942 1.00 8.43 C ATOM 672 CE3 TRP A 43 -11.139 9.924 -15.225 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -11.370 11.556 -12.954 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -11.980 11.048 -15.242 1.00 2.36 C ATOM 675 CH2 TRP A 43 -12.094 11.864 -14.106 1.00 8.17 C ATOM 0 H TRP A 43 -7.018 8.766 -13.965 1.00 14.29 H new ATOM 0 HA TRP A 43 -8.021 6.174 -13.139 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.811 7.766 -15.612 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.807 6.660 -14.687 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -8.392 8.140 -11.904 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -9.592 10.254 -11.050 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -11.056 9.303 -16.104 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -11.455 12.180 -12.076 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -12.542 11.286 -16.133 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -12.741 12.729 -14.124 1.00 8.17 H new ATOM 686 N TRP A 44 -7.736 4.689 -15.292 1.00 6.17 N ATOM 687 CA TRP A 44 -7.193 3.694 -16.276 1.00 5.58 C ATOM 688 C TRP A 44 -8.308 3.277 -17.244 1.00 6.91 C ATOM 689 O TRP A 44 -9.445 3.112 -16.848 1.00 8.86 O ATOM 690 CB TRP A 44 -6.774 2.410 -15.518 1.00 2.99 C ATOM 691 CG TRP A 44 -5.403 2.478 -14.890 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.494 3.487 -14.989 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.773 1.455 -14.061 1.00 5.23 C ATOM 694 NE1 TRP A 44 -3.365 3.138 -14.268 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.487 1.899 -13.683 1.00 9.27 C ATOM 696 CE3 TRP A 44 -5.197 0.195 -13.601 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.648 1.123 -12.882 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.357 -0.591 -12.795 1.00 11.80 C ATOM 699 CH2 TRP A 44 -3.084 -0.127 -12.437 1.00 11.72 C ATOM 0 H TRP A 44 -8.601 4.402 -14.835 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.352 4.144 -16.804 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.508 2.207 -14.738 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.802 1.568 -16.210 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.631 4.407 -15.539 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.539 3.730 -14.181 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -6.177 -0.171 -13.870 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.669 1.486 -12.608 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.694 -1.557 -12.450 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.441 -0.735 -11.818 1.00 11.72 H new ATOM 710 N LYS A 45 -7.991 3.026 -18.490 1.00 0.00 N ATOM 711 CA LYS A 45 -9.050 2.534 -19.408 1.00 0.00 C ATOM 712 C LYS A 45 -9.200 1.061 -19.094 1.00 0.00 C ATOM 713 O LYS A 45 -8.428 0.253 -19.564 1.00 0.00 O ATOM 714 CB LYS A 45 -8.652 2.673 -20.882 1.00 0.00 C ATOM 715 CG LYS A 45 -9.866 2.294 -21.779 1.00 0.00 C ATOM 716 CD LYS A 45 -9.504 2.476 -23.271 1.00 0.00 C ATOM 717 CE LYS A 45 -10.695 2.088 -24.156 1.00 0.00 C ATOM 718 NZ LYS A 45 -11.842 2.996 -23.873 1.00 0.00 N ATOM 0 H LYS A 45 -7.064 3.139 -18.900 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.964 3.111 -19.266 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.336 3.695 -21.091 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.804 2.025 -21.105 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.158 1.261 -21.591 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.723 2.918 -21.526 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.223 3.512 -23.461 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.640 1.860 -23.521 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.417 2.154 -25.208 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.981 1.054 -23.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.525 2.946 -24.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.306 2.704 -22.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.496 3.972 -23.777 1.00 0.00 H new ATOM 732 N CYS A 46 -10.145 0.704 -18.279 1.00 0.00 N ATOM 733 CA CYS A 46 -10.301 -0.731 -17.911 1.00 0.00 C ATOM 734 C CYS A 46 -11.625 -1.259 -18.406 1.00 0.00 C ATOM 735 O CYS A 46 -12.676 -0.707 -18.147 1.00 0.00 O ATOM 736 CB CYS A 46 -10.233 -0.876 -16.390 1.00 0.00 C ATOM 737 SG CYS A 46 -11.767 -0.260 -15.650 1.00 0.00 S ATOM 0 H CYS A 46 -10.817 1.340 -17.850 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.497 -1.303 -18.374 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.082 -1.921 -16.121 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.381 -0.320 -16.000 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.680 -0.153 -16.569 1.00 0.00 H new ATOM 743 N LYS A 47 -11.583 -2.357 -19.096 1.00 0.00 N ATOM 744 CA LYS A 47 -12.834 -2.960 -19.582 1.00 0.00 C ATOM 745 C LYS A 47 -13.400 -3.765 -18.430 1.00 0.00 C ATOM 746 O LYS A 47 -12.643 -4.260 -17.624 1.00 0.00 O ATOM 747 CB LYS A 47 -12.531 -3.893 -20.754 1.00 0.00 C ATOM 748 CG LYS A 47 -13.741 -4.788 -21.052 1.00 0.00 C ATOM 749 CD LYS A 47 -13.577 -5.432 -22.430 1.00 0.00 C ATOM 750 CE LYS A 47 -14.823 -6.258 -22.758 1.00 0.00 C ATOM 751 NZ LYS A 47 -14.789 -6.667 -24.190 1.00 0.00 N ATOM 0 H LYS A 47 -10.731 -2.860 -19.342 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.537 -2.198 -19.919 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.278 -3.307 -21.637 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.663 -4.510 -20.521 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.832 -5.560 -20.288 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.658 -4.199 -21.022 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.428 -4.663 -23.187 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.692 -6.068 -22.443 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.866 -7.140 -22.119 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.722 -5.675 -22.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.636 -7.228 -24.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.768 -5.820 -24.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.939 -7.239 -24.368 1.00 0.00 H new ATOM 765 N ASN A 48 -14.698 -3.931 -18.315 1.00 0.00 N ATOM 766 CA ASN A 48 -15.188 -4.783 -17.170 1.00 0.00 C ATOM 767 C ASN A 48 -15.411 -6.191 -17.716 1.00 0.00 C ATOM 768 O ASN A 48 -16.029 -6.350 -18.742 1.00 0.00 O ATOM 769 CB ASN A 48 -16.443 -4.181 -16.480 1.00 0.00 C ATOM 770 CG ASN A 48 -17.761 -4.336 -17.258 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.651 -3.534 -17.082 1.00 0.00 O ATOM 772 ND2 ASN A 48 -17.970 -5.340 -18.054 1.00 0.00 N ATOM 0 H ASN A 48 -15.412 -3.538 -18.928 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.444 -4.818 -16.375 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.560 -4.650 -15.503 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.267 -3.120 -16.305 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.872 -5.443 -18.519 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.232 -6.026 -18.215 1.00 0.00 H new ATOM 779 N ALA A 49 -14.873 -7.238 -17.105 1.00 0.00 N ATOM 780 CA ALA A 49 -15.094 -8.582 -17.706 1.00 0.00 C ATOM 781 C ALA A 49 -16.591 -8.751 -17.939 1.00 0.00 C ATOM 782 O ALA A 49 -17.021 -9.565 -18.734 1.00 0.00 O ATOM 783 CB ALA A 49 -14.587 -9.678 -16.771 1.00 0.00 C ATOM 0 H ALA A 49 -14.315 -7.212 -16.252 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.548 -8.663 -18.646 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.757 -10.653 -17.227 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.520 -9.541 -16.595 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.121 -9.623 -15.823 1.00 0.00 H new ATOM 789 N ARG A 50 -17.388 -7.951 -17.278 1.00 0.00 N ATOM 790 CA ARG A 50 -18.852 -8.035 -17.497 1.00 0.00 C ATOM 791 C ARG A 50 -19.092 -7.623 -18.948 1.00 0.00 C ATOM 792 O ARG A 50 -20.183 -7.708 -19.475 1.00 0.00 O ATOM 793 CB ARG A 50 -19.594 -7.111 -16.497 1.00 0.00 C ATOM 794 CG ARG A 50 -20.129 -7.941 -15.305 1.00 0.00 C ATOM 795 CD ARG A 50 -20.442 -7.041 -14.075 1.00 0.00 C ATOM 796 NE ARG A 50 -21.855 -7.257 -13.600 1.00 0.00 N ATOM 797 CZ ARG A 50 -22.879 -7.169 -14.409 1.00 0.00 C ATOM 798 NH1 ARG A 50 -22.714 -6.804 -15.648 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.080 -7.418 -13.963 1.00 0.00 N ATOM 0 H ARG A 50 -17.086 -7.250 -16.602 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.236 -9.041 -17.325 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -18.919 -6.335 -16.136 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.420 -6.607 -16.999 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.032 -8.472 -15.607 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.393 -8.695 -15.027 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.744 -7.265 -13.268 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.299 -5.993 -14.339 1.00 0.00 H new ATOM 0 HE ARG A 50 -22.018 -7.479 -12.618 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -21.780 -6.584 -15.995 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.518 -6.738 -16.272 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.217 -7.680 -12.987 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -24.881 -7.350 -14.591 1.00 0.00 H new ATOM 813 N GLY A 51 -18.031 -7.220 -19.597 1.00 8.07 N ATOM 814 CA GLY A 51 -18.088 -6.838 -21.027 1.00 7.79 C ATOM 815 C GLY A 51 -18.309 -5.329 -21.219 1.00 9.08 C ATOM 816 O GLY A 51 -18.950 -4.929 -22.171 1.00 14.41 O ATOM 0 H GLY A 51 -17.105 -7.140 -19.177 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -17.160 -7.132 -21.517 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -18.894 -7.386 -21.515 1.00 7.79 H new ATOM 820 N GLN A 52 -17.785 -4.476 -20.354 1.00 0.00 N ATOM 821 CA GLN A 52 -17.992 -2.989 -20.566 1.00 0.00 C ATOM 822 C GLN A 52 -16.720 -2.194 -20.295 1.00 0.00 C ATOM 823 O GLN A 52 -15.790 -2.689 -19.733 1.00 0.00 O ATOM 824 CB GLN A 52 -19.211 -2.494 -19.729 1.00 0.00 C ATOM 825 CG GLN A 52 -18.833 -1.352 -18.769 1.00 0.00 C ATOM 826 CD GLN A 52 -20.012 -1.025 -17.875 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.489 -1.861 -17.133 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.506 0.173 -17.920 1.00 0.00 N ATOM 0 H GLN A 52 -17.238 -4.732 -19.532 1.00 0.00 H new ATOM 0 HA GLN A 52 -18.225 -2.815 -21.617 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -19.998 -2.154 -20.402 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -19.619 -3.327 -19.157 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -17.975 -1.642 -18.163 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.539 -0.469 -19.337 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.100 0.869 -18.545 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.301 0.419 -17.330 1.00 0.00 H new ATOM 837 N VAL A 53 -16.666 -0.953 -20.743 1.00 0.00 N ATOM 838 CA VAL A 53 -15.420 -0.141 -20.550 1.00 0.00 C ATOM 839 C VAL A 53 -15.713 1.262 -20.016 1.00 0.00 C ATOM 840 O VAL A 53 -16.776 1.819 -20.203 1.00 0.00 O ATOM 841 CB VAL A 53 -14.686 -0.012 -21.895 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.232 0.401 -21.656 1.00 0.00 C ATOM 843 CG2 VAL A 53 -14.726 -1.345 -22.649 1.00 0.00 C ATOM 0 H VAL A 53 -17.425 -0.475 -21.229 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.806 -0.659 -19.813 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.184 0.750 -22.495 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.717 0.491 -22.613 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.207 1.360 -21.139 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.735 -0.353 -21.046 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -14.203 -1.241 -23.600 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.241 -2.116 -22.051 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.762 -1.627 -22.834 1.00 0.00 H new ATOM 853 N GLY A 54 -14.736 1.822 -19.350 1.00 3.62 N ATOM 854 CA GLY A 54 -14.871 3.191 -18.775 1.00 3.70 C ATOM 855 C GLY A 54 -13.650 3.493 -17.894 1.00 4.69 C ATOM 856 O GLY A 54 -12.997 2.598 -17.396 1.00 7.25 O ATOM 0 H GLY A 54 -13.834 1.378 -19.178 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -14.948 3.928 -19.574 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.786 3.262 -18.186 1.00 3.70 H new ATOM 860 N LEU A 55 -13.348 4.746 -17.689 1.00 0.00 N ATOM 861 CA LEU A 55 -12.182 5.113 -16.827 1.00 0.00 C ATOM 862 C LEU A 55 -12.543 4.822 -15.364 1.00 0.00 C ATOM 863 O LEU A 55 -13.695 4.869 -14.983 1.00 0.00 O ATOM 864 CB LEU A 55 -11.887 6.613 -17.020 1.00 0.00 C ATOM 865 CG LEU A 55 -10.904 6.822 -18.186 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.515 6.209 -17.863 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.487 6.180 -19.452 1.00 0.00 C ATOM 0 H LEU A 55 -13.859 5.536 -18.082 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.298 4.535 -17.097 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.815 7.150 -17.218 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.467 7.028 -16.104 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.765 7.891 -18.344 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.841 6.372 -18.704 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.105 6.685 -16.972 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.622 5.139 -17.685 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.797 6.323 -20.283 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.636 5.113 -19.284 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.443 6.647 -19.689 1.00 0.00 H new ATOM 879 N VAL A 56 -11.572 4.509 -14.538 1.00 0.00 N ATOM 880 CA VAL A 56 -11.884 4.202 -13.106 1.00 0.00 C ATOM 881 C VAL A 56 -10.625 4.461 -12.243 1.00 0.00 C ATOM 882 O VAL A 56 -9.547 4.064 -12.640 1.00 0.00 O ATOM 883 CB VAL A 56 -12.293 2.716 -13.011 1.00 0.00 C ATOM 884 CG1 VAL A 56 -11.056 1.809 -13.073 1.00 0.00 C ATOM 885 CG2 VAL A 56 -13.033 2.454 -11.702 1.00 0.00 C ATOM 0 H VAL A 56 -10.585 4.453 -14.791 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.695 4.834 -12.744 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.947 2.493 -13.854 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.366 0.766 -13.004 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.533 1.971 -14.015 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.390 2.045 -12.243 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.316 1.403 -11.648 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -12.384 2.699 -10.862 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.929 3.073 -11.660 1.00 0.00 H new ATOM 895 N PRO A 57 -10.761 5.090 -11.080 1.00 3.33 N ATOM 896 CA PRO A 57 -9.586 5.326 -10.223 1.00 2.75 C ATOM 897 C PRO A 57 -8.834 4.005 -10.030 1.00 4.32 C ATOM 898 O PRO A 57 -9.336 3.070 -9.434 1.00 4.76 O ATOM 899 CB PRO A 57 -10.159 5.875 -8.896 1.00 2.92 C ATOM 900 CG PRO A 57 -11.682 6.118 -9.115 1.00 3.30 C ATOM 901 CD PRO A 57 -12.038 5.603 -10.530 1.00 2.53 C ATOM 0 HA PRO A 57 -8.871 6.030 -10.648 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -9.996 5.166 -8.084 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -9.658 6.802 -8.615 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -12.266 5.594 -8.358 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -11.918 7.178 -9.022 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -12.793 4.818 -10.487 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -12.443 6.402 -11.151 1.00 2.53 H new ATOM 909 N LYS A 58 -7.644 3.918 -10.552 1.00 0.00 N ATOM 910 CA LYS A 58 -6.853 2.662 -10.434 1.00 0.00 C ATOM 911 C LYS A 58 -6.599 2.316 -8.962 1.00 0.00 C ATOM 912 O LYS A 58 -5.927 1.352 -8.654 1.00 0.00 O ATOM 913 CB LYS A 58 -5.522 2.853 -11.172 1.00 0.00 C ATOM 914 CG LYS A 58 -4.438 3.433 -10.220 1.00 0.00 C ATOM 915 CD LYS A 58 -3.232 3.957 -11.021 1.00 0.00 C ATOM 916 CE LYS A 58 -2.068 4.272 -10.074 1.00 0.00 C ATOM 917 NZ LYS A 58 -0.937 4.851 -10.853 1.00 0.00 N ATOM 0 H LYS A 58 -7.180 4.671 -11.061 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.411 1.837 -10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.185 1.898 -11.575 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.664 3.524 -12.019 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.864 4.241 -9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.110 2.662 -9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.923 3.214 -11.756 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.514 4.853 -11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.391 4.974 -9.305 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.745 3.365 -9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.147 5.065 -10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.624 4.167 -11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.250 5.726 -11.321 1.00 0.00 H new ATOM 931 N ASN A 59 -7.133 3.089 -8.052 1.00 10.56 N ATOM 932 CA ASN A 59 -6.929 2.806 -6.593 1.00 9.74 C ATOM 933 C ASN A 59 -8.192 2.141 -6.024 1.00 9.95 C ATOM 934 O ASN A 59 -8.215 1.699 -4.893 1.00 8.95 O ATOM 935 CB ASN A 59 -6.656 4.127 -5.856 1.00 10.40 C ATOM 936 CG ASN A 59 -5.311 4.701 -6.309 1.00 12.58 C ATOM 937 OD1 ASN A 59 -4.431 3.967 -6.711 1.00 14.84 O ATOM 938 ND2 ASN A 59 -5.115 5.989 -6.263 1.00 14.09 N ATOM 0 H ASN A 59 -7.705 3.909 -8.254 1.00 10.56 H new ATOM 0 HA ASN A 59 -6.080 2.136 -6.459 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -7.454 4.840 -6.060 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -6.647 3.959 -4.779 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -4.223 6.380 -6.565 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -5.854 6.606 -5.925 1.00 14.09 H new ATOM 945 N TYR A 60 -9.240 2.074 -6.800 1.00 10.23 N ATOM 946 CA TYR A 60 -10.507 1.446 -6.311 1.00 5.50 C ATOM 947 C TYR A 60 -10.483 -0.059 -6.615 1.00 5.21 C ATOM 948 O TYR A 60 -11.472 -0.745 -6.449 1.00 7.16 O ATOM 949 CB TYR A 60 -11.696 2.096 -7.043 1.00 3.37 C ATOM 950 CG TYR A 60 -12.127 3.371 -6.346 1.00 2.00 C ATOM 951 CD1 TYR A 60 -11.171 4.299 -5.916 1.00 4.04 C ATOM 952 CD2 TYR A 60 -13.488 3.623 -6.140 1.00 2.00 C ATOM 953 CE1 TYR A 60 -11.578 5.479 -5.283 1.00 4.04 C ATOM 954 CE2 TYR A 60 -13.895 4.800 -5.505 1.00 2.69 C ATOM 955 CZ TYR A 60 -12.941 5.731 -5.077 1.00 4.45 C ATOM 956 OH TYR A 60 -13.343 6.896 -4.453 1.00 9.52 O ATOM 0 H TYR A 60 -9.276 2.428 -7.756 1.00 10.23 H new ATOM 0 HA TYR A 60 -10.604 1.595 -5.236 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -11.418 2.316 -8.074 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -12.531 1.397 -7.081 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -10.120 4.104 -6.073 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -14.225 2.907 -6.472 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -10.841 6.196 -4.953 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -14.946 4.991 -5.345 1.00 2.69 H new ATOM 0 HH TYR A 60 -14.321 6.913 -4.391 1.00 9.52 H new ATOM 966 N VAL A 61 -9.369 -0.573 -7.064 1.00 5.00 N ATOM 967 CA VAL A 61 -9.291 -2.029 -7.388 1.00 4.84 C ATOM 968 C VAL A 61 -7.875 -2.542 -7.101 1.00 5.03 C ATOM 969 O VAL A 61 -6.923 -1.786 -7.106 1.00 5.61 O ATOM 970 CB VAL A 61 -9.614 -2.236 -8.878 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.859 -1.431 -9.255 1.00 2.00 C ATOM 972 CG2 VAL A 61 -8.435 -1.760 -9.739 1.00 2.97 C ATOM 0 H VAL A 61 -8.509 -0.048 -7.221 1.00 5.00 H new ATOM 0 HA VAL A 61 -10.008 -2.577 -6.776 1.00 4.84 H new ATOM 0 HB VAL A 61 -9.793 -3.297 -9.054 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -11.083 -1.581 -10.311 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -11.704 -1.765 -8.653 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.678 -0.372 -9.070 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.670 -1.909 -10.793 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -8.254 -0.701 -9.554 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -7.543 -2.331 -9.482 1.00 2.97 H new ATOM 982 N VAL A 62 -7.728 -3.824 -6.873 1.00 0.00 N ATOM 983 CA VAL A 62 -6.365 -4.399 -6.605 1.00 0.00 C ATOM 984 C VAL A 62 -5.926 -5.186 -7.834 1.00 0.00 C ATOM 985 O VAL A 62 -6.734 -5.555 -8.647 1.00 0.00 O ATOM 986 CB VAL A 62 -6.420 -5.343 -5.402 1.00 0.00 C ATOM 987 CG1 VAL A 62 -7.340 -6.525 -5.717 1.00 0.00 C ATOM 988 CG2 VAL A 62 -5.016 -5.863 -5.094 1.00 0.00 C ATOM 0 H VAL A 62 -8.491 -4.501 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.663 -3.593 -6.392 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.806 -4.802 -4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.377 -7.196 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.343 -6.158 -5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.956 -7.065 -6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.057 -6.535 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.629 -6.401 -5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.359 -5.024 -4.866 1.00 0.00 H new ATOM 998 N VAL A 63 -4.654 -5.441 -7.978 1.00 0.00 N ATOM 999 CA VAL A 63 -4.151 -6.207 -9.167 1.00 0.00 C ATOM 1000 C VAL A 63 -3.728 -7.613 -8.734 1.00 0.00 C ATOM 1001 O VAL A 63 -3.054 -7.793 -7.740 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.952 -5.478 -9.771 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -2.234 -6.394 -10.768 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -3.435 -4.220 -10.497 1.00 0.00 C ATOM 0 H VAL A 63 -3.931 -5.151 -7.320 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.945 -6.282 -9.910 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.262 -5.202 -8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.380 -5.868 -11.195 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.888 -7.291 -10.254 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.923 -6.675 -11.565 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.581 -3.698 -10.929 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.127 -4.501 -11.291 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.941 -3.563 -9.789 1.00 0.00 H new ATOM 1014 N LEU A 64 -4.130 -8.613 -9.483 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.768 -10.023 -9.138 1.00 0.00 C ATOM 1016 C LEU A 64 -2.672 -10.513 -10.096 1.00 0.00 C ATOM 1017 O LEU A 64 -1.572 -10.822 -9.680 1.00 0.00 O ATOM 1018 CB LEU A 64 -5.019 -10.909 -9.279 1.00 0.00 C ATOM 1019 CG LEU A 64 -6.046 -10.577 -8.175 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.374 -11.322 -8.419 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -5.477 -10.970 -6.806 1.00 0.00 C ATOM 0 H LEU A 64 -4.697 -8.511 -10.324 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.399 -10.075 -8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.470 -10.758 -10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.736 -11.960 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.243 -9.505 -8.197 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.082 -11.072 -7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.787 -11.024 -9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.194 -12.397 -8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.204 -10.735 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.266 -12.039 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.557 -10.416 -6.622 1.00 0.00 H new ATOM 1033 N SER A 65 -2.960 -10.590 -11.369 1.00 0.00 N ATOM 1034 CA SER A 65 -1.925 -11.062 -12.334 1.00 0.00 C ATOM 1035 C SER A 65 -0.830 -10.003 -12.465 1.00 0.00 C ATOM 1036 O SER A 65 -1.064 -8.825 -12.283 1.00 0.00 O ATOM 1037 CB SER A 65 -2.565 -11.320 -13.704 1.00 0.00 C ATOM 1038 OG SER A 65 -3.350 -10.192 -14.068 1.00 0.00 O ATOM 0 H SER A 65 -3.862 -10.348 -11.780 1.00 0.00 H new ATOM 0 HA SER A 65 -1.489 -11.991 -11.967 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.793 -11.499 -14.452 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.186 -12.215 -13.667 1.00 0.00 H new ATOM 0 HG SER A 65 -3.849 -10.391 -14.887 1.00 0.00 H new ATOM 1044 N ASP A 66 0.374 -10.412 -12.773 1.00 0.00 N ATOM 1045 CA ASP A 66 1.494 -9.433 -12.911 1.00 0.00 C ATOM 1046 C ASP A 66 2.463 -9.917 -13.993 1.00 0.00 C ATOM 1047 O ASP A 66 2.582 -11.098 -14.249 1.00 0.00 O ATOM 1048 CB ASP A 66 2.234 -9.318 -11.577 1.00 0.00 C ATOM 1049 CG ASP A 66 3.142 -8.088 -11.598 1.00 0.00 C ATOM 1050 OD1 ASP A 66 2.949 -7.247 -12.460 1.00 0.00 O ATOM 1051 OD2 ASP A 66 4.015 -8.006 -10.750 1.00 0.00 O ATOM 0 H ASP A 66 0.631 -11.386 -12.935 1.00 0.00 H new ATOM 0 HA ASP A 66 1.095 -8.458 -13.191 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.519 -9.240 -10.758 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.826 -10.216 -11.399 1.00 0.00 H new ATOM 1056 N GLY A 67 3.155 -9.013 -14.633 1.00 0.00 N ATOM 1057 CA GLY A 67 4.116 -9.423 -15.697 1.00 0.00 C ATOM 1058 C GLY A 67 5.450 -9.836 -15.059 1.00 0.00 C ATOM 1059 O GLY A 67 5.811 -10.996 -15.104 1.00 0.00 O ATOM 0 H GLY A 67 3.096 -8.009 -14.465 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.705 -10.253 -16.272 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.275 -8.600 -16.394 1.00 0.00 H new ATOM 1063 N PRO A 68 6.151 -8.885 -14.477 1.00 0.00 N ATOM 1064 CA PRO A 68 7.444 -9.170 -13.826 1.00 0.00 C ATOM 1065 C PRO A 68 7.243 -10.205 -12.709 1.00 0.00 C ATOM 1066 O PRO A 68 6.951 -9.861 -11.582 1.00 0.00 O ATOM 1067 CB PRO A 68 7.918 -7.809 -13.264 1.00 0.00 C ATOM 1068 CG PRO A 68 6.815 -6.758 -13.589 1.00 0.00 C ATOM 1069 CD PRO A 68 5.721 -7.471 -14.416 1.00 0.00 C ATOM 0 HA PRO A 68 8.182 -9.590 -14.510 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.080 -7.874 -12.188 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.868 -7.519 -13.713 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.395 -6.347 -12.671 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.235 -5.922 -14.149 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.743 -7.375 -13.944 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.636 -7.040 -15.414 1.00 0.00 H new ATOM 1077 N ALA A 69 7.418 -11.467 -13.016 1.00 0.00 N ATOM 1078 CA ALA A 69 7.265 -12.537 -11.994 1.00 0.00 C ATOM 1079 C ALA A 69 8.620 -13.197 -11.793 1.00 0.00 C ATOM 1080 O ALA A 69 8.921 -14.231 -12.354 1.00 0.00 O ATOM 1081 CB ALA A 69 6.261 -13.581 -12.493 1.00 0.00 C ATOM 0 H ALA A 69 7.664 -11.801 -13.948 1.00 0.00 H new ATOM 0 HA ALA A 69 6.904 -12.115 -11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.149 -14.365 -11.744 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.296 -13.104 -12.666 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.623 -14.018 -13.424 1.00 0.00 H new ATOM 1087 N LEU A 70 9.436 -12.594 -10.989 1.00 0.00 N ATOM 1088 CA LEU A 70 10.791 -13.154 -10.718 1.00 0.00 C ATOM 1089 C LEU A 70 10.693 -14.197 -9.604 1.00 0.00 C ATOM 1090 O LEU A 70 10.202 -13.923 -8.527 1.00 0.00 O ATOM 1091 CB LEU A 70 11.732 -12.025 -10.282 1.00 0.00 C ATOM 1092 CG LEU A 70 12.053 -11.103 -11.477 1.00 0.00 C ATOM 1093 CD1 LEU A 70 12.450 -9.714 -10.969 1.00 0.00 C ATOM 1094 CD2 LEU A 70 13.217 -11.682 -12.297 1.00 0.00 C ATOM 0 H LEU A 70 9.225 -11.725 -10.498 1.00 0.00 H new ATOM 0 HA LEU A 70 11.181 -13.622 -11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.271 -11.447 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.654 -12.446 -9.881 1.00 0.00 H new ATOM 0 HG LEU A 70 11.166 -11.029 -12.106 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.676 -9.067 -11.817 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.627 -9.287 -10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.331 -9.798 -10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.434 -11.022 -13.137 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.101 -11.767 -11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.943 -12.668 -12.671 1.00 0.00 H new ATOM 1106 N HIS A 71 11.156 -15.392 -9.851 1.00 0.00 N ATOM 1107 CA HIS A 71 11.088 -16.449 -8.802 1.00 0.00 C ATOM 1108 C HIS A 71 9.666 -16.519 -8.241 1.00 0.00 C ATOM 1109 CB HIS A 71 12.064 -16.110 -7.674 1.00 0.00 C ATOM 1110 CG HIS A 71 12.206 -17.296 -6.759 1.00 0.00 C ATOM 1111 ND1 HIS A 71 11.362 -18.393 -6.833 1.00 0.00 N ATOM 1112 CD2 HIS A 71 13.092 -17.571 -5.747 1.00 0.00 C ATOM 1113 CE1 HIS A 71 11.753 -19.268 -5.889 1.00 0.00 C ATOM 1114 NE2 HIS A 71 12.802 -18.817 -5.199 1.00 0.00 N ATOM 0 H HIS A 71 11.578 -15.682 -10.733 1.00 0.00 H new ATOM 0 HA HIS A 71 11.355 -17.412 -9.238 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.035 -15.839 -8.088 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.704 -15.247 -7.114 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.892 -16.920 -5.425 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.276 -20.220 -5.711 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.287 -19.285 -4.434 1.00 0.00 H new TER 1122 HIS A 71 ATOM 1123 N GLY B 72 -13.998 -13.112 9.053 1.00 0.00 N ATOM 1124 CA GLY B 72 -13.141 -13.323 7.851 1.00 0.00 C ATOM 1125 C GLY B 72 -12.681 -11.969 7.306 1.00 0.00 C ATOM 1126 O GLY B 72 -12.866 -11.661 6.147 1.00 0.00 O ATOM 0 HA2 GLY B 72 -12.277 -13.935 8.111 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -13.697 -13.865 7.086 1.00 0.00 H new ATOM 1131 N SER B 73 -12.083 -11.158 8.137 1.00 0.00 N ATOM 1132 CA SER B 73 -11.614 -9.825 7.666 1.00 0.00 C ATOM 1133 C SER B 73 -10.301 -9.991 6.897 1.00 0.00 C ATOM 1134 O SER B 73 -9.574 -10.945 7.088 1.00 0.00 O ATOM 1135 CB SER B 73 -11.387 -8.912 8.869 1.00 0.00 C ATOM 1136 OG SER B 73 -12.489 -9.025 9.761 1.00 0.00 O ATOM 0 H SER B 73 -11.900 -11.361 9.120 1.00 0.00 H new ATOM 0 HA SER B 73 -12.366 -9.384 7.012 1.00 0.00 H new ATOM 0 HB2 SER B 73 -10.463 -9.186 9.378 1.00 0.00 H new ATOM 0 HB3 SER B 73 -11.276 -7.879 8.540 1.00 0.00 H new ATOM 0 HG SER B 73 -12.345 -8.441 10.535 1.00 0.00 H new ATOM 1142 N MET B 74 -9.990 -9.065 6.031 1.00 0.00 N ATOM 1143 CA MET B 74 -8.724 -9.169 5.251 1.00 0.00 C ATOM 1144 C MET B 74 -7.559 -9.446 6.203 1.00 0.00 C ATOM 1145 O MET B 74 -7.690 -9.332 7.407 1.00 0.00 O ATOM 1146 CB MET B 74 -8.474 -7.858 4.505 1.00 0.00 C ATOM 1147 CG MET B 74 -9.769 -7.401 3.829 1.00 0.00 C ATOM 1148 SD MET B 74 -9.404 -6.051 2.680 1.00 0.00 S ATOM 1149 CE MET B 74 -10.995 -5.201 2.814 1.00 0.00 C ATOM 0 H MET B 74 -10.557 -8.242 5.830 1.00 0.00 H new ATOM 0 HA MET B 74 -8.807 -9.984 4.532 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.124 -7.094 5.199 1.00 0.00 H new ATOM 0 HB3 MET B 74 -7.691 -7.995 3.760 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.227 -8.234 3.295 1.00 0.00 H new ATOM 0 HG3 MET B 74 -10.487 -7.070 4.580 1.00 0.00 H new ATOM 0 HE1 MET B 74 -10.991 -4.319 2.174 1.00 0.00 H new ATOM 0 HE2 MET B 74 -11.794 -5.873 2.501 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.160 -4.898 3.848 1.00 0.00 H new ATOM 1159 N GLY B 75 -6.421 -9.806 5.677 1.00 0.00 N ATOM 1160 CA GLY B 75 -5.250 -10.087 6.554 1.00 0.00 C ATOM 1161 C GLY B 75 -3.995 -10.249 5.697 1.00 0.00 C ATOM 1162 O GLY B 75 -3.227 -11.176 5.871 1.00 0.00 O ATOM 0 H GLY B 75 -6.251 -9.918 4.677 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -5.113 -9.274 7.267 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -5.426 -10.993 7.134 1.00 0.00 H new ATOM 1166 N VAL B 76 -3.777 -9.354 4.770 1.00 0.00 N ATOM 1167 CA VAL B 76 -2.571 -9.458 3.902 1.00 0.00 C ATOM 1168 C VAL B 76 -2.206 -8.066 3.367 1.00 0.00 C ATOM 1169 O VAL B 76 -3.051 -7.374 2.835 1.00 0.00 O ATOM 1170 CB VAL B 76 -2.871 -10.380 2.710 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.044 -9.949 1.499 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.511 -11.827 3.049 1.00 0.00 C ATOM 0 H VAL B 76 -4.383 -8.556 4.578 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.744 -9.864 4.485 1.00 0.00 H new ATOM 0 HB VAL B 76 -3.935 -10.310 2.485 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.261 -10.607 0.657 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.297 -8.923 1.232 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -0.983 -10.010 1.743 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -2.730 -12.466 2.194 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.449 -11.891 3.288 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.097 -12.156 3.907 1.00 0.00 H new ATOM 1182 N PRO B 77 -0.953 -7.707 3.494 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.461 -6.421 2.996 1.00 0.00 C ATOM 1184 C PRO B 77 -0.364 -6.485 1.490 1.00 0.00 C ATOM 1185 O PRO B 77 -0.379 -7.544 0.899 1.00 0.00 O ATOM 1186 CB PRO B 77 0.935 -6.263 3.610 1.00 0.00 C ATOM 1187 CG PRO B 77 1.282 -7.601 4.304 1.00 0.00 C ATOM 1188 CD PRO B 77 0.076 -8.533 4.148 1.00 0.00 C ATOM 0 HA PRO B 77 -1.112 -5.587 3.258 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.670 -6.027 2.840 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.950 -5.442 4.327 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.170 -8.046 3.855 1.00 0.00 H new ATOM 0 HG3 PRO B 77 1.506 -7.438 5.358 1.00 0.00 H new ATOM 0 HD2 PRO B 77 0.326 -9.406 3.545 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -0.267 -8.901 5.115 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.264 -5.359 0.865 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.166 -5.351 -0.608 1.00 0.00 C ATOM 1198 C ILE B 78 0.920 -4.382 -1.037 1.00 0.00 C ATOM 1199 O ILE B 78 0.890 -3.203 -0.738 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.517 -4.972 -1.197 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.460 -6.153 -0.970 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.360 -4.712 -2.691 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -3.911 -5.691 -0.890 1.00 0.00 C ATOM 0 H ILE B 78 -0.246 -4.441 1.310 1.00 0.00 H new ATOM 0 HA ILE B 78 0.102 -6.341 -0.976 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.912 -4.072 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.349 -6.872 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.188 -6.667 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.326 -4.440 -3.116 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.653 -3.897 -2.846 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -0.989 -5.613 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.559 -6.553 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.025 -4.991 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -4.188 -5.199 -1.822 1.00 0.00 H new ATOM 1215 N CYS B 79 1.903 -4.895 -1.711 1.00 0.00 N ATOM 1216 CA CYS B 79 3.038 -4.052 -2.149 1.00 0.00 C ATOM 1217 C CYS B 79 2.531 -2.913 -3.019 1.00 0.00 C ATOM 1218 O CYS B 79 1.976 -3.115 -4.082 1.00 0.00 O ATOM 1219 CB CYS B 79 4.036 -4.912 -2.921 1.00 0.00 C ATOM 1220 SG CYS B 79 5.274 -3.859 -3.710 1.00 0.00 S ATOM 0 H CYS B 79 1.968 -5.877 -1.980 1.00 0.00 H new ATOM 0 HA CYS B 79 3.535 -3.625 -1.278 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.522 -5.616 -2.245 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.514 -5.502 -3.674 1.00 0.00 H new ATOM 1225 N GLY B 80 2.718 -1.711 -2.564 1.00 0.00 N ATOM 1226 CA GLY B 80 2.253 -0.534 -3.342 1.00 0.00 C ATOM 1227 C GLY B 80 3.032 -0.455 -4.651 1.00 0.00 C ATOM 1228 O GLY B 80 2.823 0.430 -5.458 1.00 0.00 O ATOM 0 H GLY B 80 3.176 -1.491 -1.680 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.185 -0.617 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.398 0.379 -2.764 1.00 0.00 H new ATOM 1232 N ALA B 81 3.932 -1.374 -4.872 1.00 0.00 N ATOM 1233 CA ALA B 81 4.728 -1.350 -6.127 1.00 0.00 C ATOM 1234 C ALA B 81 3.967 -2.093 -7.224 1.00 0.00 C ATOM 1235 O ALA B 81 3.815 -1.607 -8.326 1.00 0.00 O ATOM 1236 CB ALA B 81 6.080 -2.027 -5.885 1.00 0.00 C ATOM 0 H ALA B 81 4.149 -2.141 -4.235 1.00 0.00 H new ATOM 0 HA ALA B 81 4.893 -0.318 -6.438 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.665 -2.010 -6.805 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.619 -1.494 -5.102 1.00 0.00 H new ATOM 0 HB3 ALA B 81 5.920 -3.060 -5.576 1.00 0.00 H new ATOM 1242 N CYS B 82 3.489 -3.267 -6.924 1.00 0.00 N ATOM 1243 CA CYS B 82 2.733 -4.056 -7.935 1.00 0.00 C ATOM 1244 C CYS B 82 1.294 -4.236 -7.453 1.00 0.00 C ATOM 1245 O CYS B 82 0.508 -4.932 -8.068 1.00 0.00 O ATOM 1246 CB CYS B 82 3.391 -5.427 -8.098 1.00 0.00 C ATOM 1247 SG CYS B 82 3.941 -6.026 -6.480 1.00 0.00 S ATOM 0 H CYS B 82 3.590 -3.718 -6.015 1.00 0.00 H new ATOM 0 HA CYS B 82 2.737 -3.534 -8.892 1.00 0.00 H new ATOM 0 HB2 CYS B 82 2.685 -6.131 -8.538 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.239 -5.357 -8.780 1.00 0.00 H new ATOM 1252 N ARG B 83 0.943 -3.624 -6.353 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.440 -3.772 -5.832 1.00 0.00 C ATOM 1254 C ARG B 83 -0.751 -5.259 -5.705 1.00 0.00 C ATOM 1255 O ARG B 83 -1.833 -5.710 -6.023 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.432 -3.116 -6.797 1.00 0.00 C ATOM 1257 CG ARG B 83 -1.250 -1.589 -6.771 1.00 0.00 C ATOM 1258 CD ARG B 83 -2.214 -0.922 -7.764 1.00 0.00 C ATOM 1259 NE ARG B 83 -2.016 0.563 -7.763 1.00 0.00 N ATOM 1260 CZ ARG B 83 -2.645 1.337 -6.919 1.00 0.00 C ATOM 1261 NH1 ARG B 83 -3.581 0.855 -6.150 1.00 0.00 N ATOM 1262 NH2 ARG B 83 -2.366 2.611 -6.876 1.00 0.00 N ATOM 0 H ARG B 83 1.556 -3.029 -5.796 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.526 -3.287 -4.860 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -1.274 -3.493 -7.807 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.453 -3.375 -6.516 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.433 -1.211 -5.765 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -0.221 -1.334 -7.025 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.046 -1.317 -8.766 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -3.244 -1.159 -7.496 1.00 0.00 H new ATOM 0 HE ARG B 83 -1.375 0.980 -8.438 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -3.827 -0.133 -6.204 1.00 0.00 H new ATOM 0 HH12 ARG B 83 -4.067 1.466 -5.494 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -1.659 3.000 -7.500 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -2.855 3.218 -6.218 1.00 0.00 H new ATOM 1276 N ARG B 84 0.199 -6.024 -5.231 1.00 0.00 N ATOM 1277 CA ARG B 84 -0.021 -7.489 -5.070 1.00 0.00 C ATOM 1278 C ARG B 84 0.057 -7.831 -3.578 1.00 0.00 C ATOM 1279 O ARG B 84 0.848 -7.248 -2.864 1.00 0.00 O ATOM 1280 CB ARG B 84 1.076 -8.253 -5.824 1.00 0.00 C ATOM 1281 CG ARG B 84 0.725 -8.327 -7.311 1.00 0.00 C ATOM 1282 CD ARG B 84 0.408 -9.775 -7.688 1.00 0.00 C ATOM 1283 NE ARG B 84 1.540 -10.654 -7.284 1.00 0.00 N ATOM 1284 CZ ARG B 84 1.441 -11.950 -7.416 1.00 0.00 C ATOM 1285 NH1 ARG B 84 0.351 -12.473 -7.904 1.00 0.00 N ATOM 1286 NH2 ARG B 84 2.433 -12.718 -7.059 1.00 0.00 N ATOM 0 H ARG B 84 1.121 -5.693 -4.948 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.996 -7.769 -5.469 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.036 -7.754 -5.692 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.180 -9.258 -5.415 1.00 0.00 H new ATOM 0 HG2 ARG B 84 -0.132 -7.688 -7.526 1.00 0.00 H new ATOM 0 HG3 ARG B 84 1.557 -7.957 -7.911 1.00 0.00 H new ATOM 0 HD2 ARG B 84 -0.510 -10.097 -7.196 1.00 0.00 H new ATOM 0 HD3 ARG B 84 0.238 -9.853 -8.762 1.00 0.00 H new ATOM 0 HE ARG B 84 2.393 -10.244 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG B 84 -0.423 -11.870 -8.182 1.00 0.00 H new ATOM 0 HH12 ARG B 84 0.273 -13.485 -8.007 1.00 0.00 H new ATOM 0 HH21 ARG B 84 3.285 -12.307 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG B 84 2.357 -13.730 -7.162 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.761 -8.758 -3.137 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.775 -9.162 -1.722 1.00 0.00 C ATOM 1302 C PRO B 85 0.616 -9.618 -1.279 1.00 0.00 C ATOM 1303 O PRO B 85 1.120 -10.629 -1.727 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.798 -10.307 -1.652 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.421 -10.472 -3.054 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.721 -9.478 -3.996 1.00 0.00 C ATOM 0 HA PRO B 85 -1.045 -8.343 -1.055 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.315 -11.232 -1.338 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.570 -10.085 -0.915 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -2.293 -11.494 -3.412 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.493 -10.278 -3.021 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -1.213 -9.995 -4.810 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.436 -8.793 -4.451 1.00 0.00 H new ATOM 1314 N ILE B 86 1.234 -8.880 -0.394 1.00 0.00 N ATOM 1315 CA ILE B 86 2.593 -9.281 0.081 1.00 0.00 C ATOM 1316 C ILE B 86 2.452 -10.524 0.963 1.00 0.00 C ATOM 1317 O ILE B 86 1.388 -10.807 1.476 1.00 0.00 O ATOM 1318 CB ILE B 86 3.236 -8.130 0.864 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.446 -6.935 -0.074 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.592 -8.577 1.416 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.368 -5.629 0.728 1.00 0.00 C ATOM 0 H ILE B 86 0.861 -8.024 0.018 1.00 0.00 H new ATOM 0 HA ILE B 86 3.236 -9.510 -0.769 1.00 0.00 H new ATOM 0 HB ILE B 86 2.583 -7.845 1.689 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.415 -7.013 -0.567 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.688 -6.938 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.047 -7.757 1.972 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.451 -9.431 2.079 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.245 -8.862 0.591 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.518 -4.782 0.059 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.389 -5.550 1.200 1.00 0.00 H new ATOM 0 HD13 ILE B 86 4.142 -5.626 1.495 1.00 0.00 H new ATOM 1333 N GLU B 87 3.501 -11.286 1.131 1.00 0.00 N ATOM 1334 CA GLU B 87 3.377 -12.520 1.968 1.00 0.00 C ATOM 1335 C GLU B 87 4.754 -12.995 2.437 1.00 0.00 C ATOM 1336 O GLU B 87 5.186 -14.089 2.132 1.00 0.00 O ATOM 1337 CB GLU B 87 2.706 -13.624 1.146 1.00 0.00 C ATOM 1338 CG GLU B 87 3.236 -13.585 -0.290 1.00 0.00 C ATOM 1339 CD GLU B 87 2.896 -14.899 -0.997 1.00 0.00 C ATOM 1340 OE1 GLU B 87 1.776 -15.028 -1.459 1.00 0.00 O ATOM 1341 OE2 GLU B 87 3.764 -15.755 -1.064 1.00 0.00 O ATOM 0 H GLU B 87 4.424 -11.113 0.733 1.00 0.00 H new ATOM 0 HA GLU B 87 2.772 -12.290 2.845 1.00 0.00 H new ATOM 0 HB2 GLU B 87 2.907 -14.598 1.593 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.624 -13.489 1.150 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.796 -12.746 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.315 -13.431 -0.286 1.00 0.00 H new ATOM 1348 N GLY B 88 5.435 -12.183 3.184 1.00 0.00 N ATOM 1349 CA GLY B 88 6.779 -12.563 3.701 1.00 0.00 C ATOM 1350 C GLY B 88 7.258 -11.446 4.613 1.00 0.00 C ATOM 1351 O GLY B 88 6.811 -11.308 5.734 1.00 0.00 O ATOM 0 H GLY B 88 5.116 -11.256 3.465 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.726 -13.505 4.246 1.00 0.00 H new ATOM 0 HA3 GLY B 88 7.478 -12.710 2.877 1.00 0.00 H new ATOM 1355 N ARG B 89 8.131 -10.624 4.122 1.00 0.00 N ATOM 1356 CA ARG B 89 8.617 -9.473 4.926 1.00 0.00 C ATOM 1357 C ARG B 89 8.097 -8.211 4.250 1.00 0.00 C ATOM 1358 O ARG B 89 8.348 -7.969 3.085 1.00 0.00 O ATOM 1359 CB ARG B 89 10.138 -9.466 4.972 1.00 0.00 C ATOM 1360 CG ARG B 89 10.623 -10.572 5.910 1.00 0.00 C ATOM 1361 CD ARG B 89 12.107 -10.362 6.228 1.00 0.00 C ATOM 1362 NE ARG B 89 12.843 -11.661 6.139 1.00 0.00 N ATOM 1363 CZ ARG B 89 12.349 -12.750 6.668 1.00 0.00 C ATOM 1364 NH1 ARG B 89 11.244 -12.707 7.361 1.00 0.00 N ATOM 1365 NH2 ARG B 89 12.979 -13.884 6.524 1.00 0.00 N ATOM 0 H ARG B 89 8.535 -10.698 3.188 1.00 0.00 H new ATOM 0 HA ARG B 89 8.261 -9.536 5.954 1.00 0.00 H new ATOM 0 HB2 ARG B 89 10.544 -9.618 3.972 1.00 0.00 H new ATOM 0 HB3 ARG B 89 10.498 -8.497 5.318 1.00 0.00 H new ATOM 0 HG2 ARG B 89 10.039 -10.564 6.830 1.00 0.00 H new ATOM 0 HG3 ARG B 89 10.475 -11.547 5.446 1.00 0.00 H new ATOM 0 HD2 ARG B 89 12.538 -9.643 5.531 1.00 0.00 H new ATOM 0 HD3 ARG B 89 12.216 -9.941 7.228 1.00 0.00 H new ATOM 0 HE ARG B 89 13.742 -11.698 5.659 1.00 0.00 H new ATOM 0 HH11 ARG B 89 10.759 -11.819 7.493 1.00 0.00 H new ATOM 0 HH12 ARG B 89 10.865 -13.561 7.770 1.00 0.00 H new ATOM 0 HH21 ARG B 89 13.854 -13.919 6.000 1.00 0.00 H new ATOM 0 HH22 ARG B 89 12.597 -14.736 6.935 1.00 0.00 H new ATOM 1379 N VAL B 90 7.336 -7.433 4.955 1.00 0.00 N ATOM 1380 CA VAL B 90 6.743 -6.211 4.340 1.00 0.00 C ATOM 1381 C VAL B 90 7.550 -4.967 4.699 1.00 0.00 C ATOM 1382 O VAL B 90 8.259 -4.929 5.686 1.00 0.00 O ATOM 1383 CB VAL B 90 5.315 -6.036 4.866 1.00 0.00 C ATOM 1384 CG1 VAL B 90 4.642 -4.845 4.174 1.00 0.00 C ATOM 1385 CG2 VAL B 90 4.506 -7.308 4.584 1.00 0.00 C ATOM 0 H VAL B 90 7.095 -7.586 5.934 1.00 0.00 H new ATOM 0 HA VAL B 90 6.749 -6.331 3.257 1.00 0.00 H new ATOM 0 HB VAL B 90 5.353 -5.853 5.940 1.00 0.00 H new ATOM 0 HG11 VAL B 90 3.627 -4.729 4.555 1.00 0.00 H new ATOM 0 HG12 VAL B 90 5.211 -3.938 4.376 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.608 -5.020 3.099 1.00 0.00 H new ATOM 0 HG21 VAL B 90 3.490 -7.183 4.958 1.00 0.00 H new ATOM 0 HG22 VAL B 90 4.477 -7.490 3.510 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.975 -8.156 5.083 1.00 0.00 H new ATOM 1395 N VAL B 91 7.411 -3.934 3.910 1.00 0.00 N ATOM 1396 CA VAL B 91 8.119 -2.661 4.193 1.00 0.00 C ATOM 1397 C VAL B 91 7.062 -1.575 4.306 1.00 0.00 C ATOM 1398 O VAL B 91 6.357 -1.287 3.365 1.00 0.00 O ATOM 1399 CB VAL B 91 9.090 -2.326 3.056 1.00 0.00 C ATOM 1400 CG1 VAL B 91 9.395 -0.823 3.064 1.00 0.00 C ATOM 1401 CG2 VAL B 91 10.391 -3.103 3.264 1.00 0.00 C ATOM 0 H VAL B 91 6.829 -3.923 3.073 1.00 0.00 H new ATOM 0 HA VAL B 91 8.697 -2.742 5.114 1.00 0.00 H new ATOM 0 HB VAL B 91 8.641 -2.600 2.101 1.00 0.00 H new ATOM 0 HG11 VAL B 91 10.086 -0.588 2.254 1.00 0.00 H new ATOM 0 HG12 VAL B 91 8.470 -0.263 2.926 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.846 -0.548 4.017 1.00 0.00 H new ATOM 0 HG21 VAL B 91 11.087 -2.870 2.458 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.834 -2.822 4.219 1.00 0.00 H new ATOM 0 HG23 VAL B 91 10.180 -4.172 3.263 1.00 0.00 H new ATOM 1411 N ASN B 92 6.922 -0.984 5.455 1.00 0.00 N ATOM 1412 CA ASN B 92 5.885 0.066 5.614 1.00 0.00 C ATOM 1413 C ASN B 92 6.479 1.428 5.263 1.00 0.00 C ATOM 1414 O ASN B 92 7.251 1.996 6.011 1.00 0.00 O ATOM 1415 CB ASN B 92 5.388 0.074 7.055 1.00 0.00 C ATOM 1416 CG ASN B 92 4.611 -1.215 7.335 1.00 0.00 C ATOM 1417 OD1 ASN B 92 3.770 -1.251 8.211 1.00 0.00 O ATOM 1418 ND2 ASN B 92 4.855 -2.277 6.619 1.00 0.00 N ATOM 0 H ASN B 92 7.478 -1.181 6.287 1.00 0.00 H new ATOM 0 HA ASN B 92 5.049 -0.142 4.946 1.00 0.00 H new ATOM 0 HB2 ASN B 92 6.231 0.159 7.741 1.00 0.00 H new ATOM 0 HB3 ASN B 92 4.749 0.941 7.226 1.00 0.00 H new ATOM 0 HD21 ASN B 92 4.339 -3.140 6.794 1.00 0.00 H new ATOM 0 HD22 ASN B 92 5.561 -2.245 5.884 1.00 0.00 H new ATOM 1425 N ALA B 93 6.120 1.953 4.127 1.00 0.00 N ATOM 1426 CA ALA B 93 6.654 3.277 3.711 1.00 0.00 C ATOM 1427 C ALA B 93 5.564 4.030 2.955 1.00 0.00 C ATOM 1428 O ALA B 93 4.623 3.441 2.463 1.00 0.00 O ATOM 1429 CB ALA B 93 7.860 3.073 2.793 1.00 0.00 C ATOM 0 H ALA B 93 5.476 1.519 3.465 1.00 0.00 H new ATOM 0 HA ALA B 93 6.960 3.847 4.588 1.00 0.00 H new ATOM 0 HB1 ALA B 93 8.253 4.043 2.487 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.634 2.520 3.326 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.555 2.511 1.911 1.00 0.00 H new ATOM 1435 N MET B 94 5.671 5.327 2.861 1.00 0.00 N ATOM 1436 CA MET B 94 4.625 6.097 2.141 1.00 0.00 C ATOM 1437 C MET B 94 3.290 5.823 2.811 1.00 0.00 C ATOM 1438 O MET B 94 2.234 6.047 2.256 1.00 0.00 O ATOM 1439 CB MET B 94 4.555 5.643 0.681 1.00 0.00 C ATOM 1440 CG MET B 94 5.966 5.502 0.100 1.00 0.00 C ATOM 1441 SD MET B 94 6.627 7.144 -0.271 1.00 0.00 S ATOM 1442 CE MET B 94 8.347 6.827 0.190 1.00 0.00 C ATOM 0 H MET B 94 6.434 5.882 3.250 1.00 0.00 H new ATOM 0 HA MET B 94 4.861 7.161 2.171 1.00 0.00 H new ATOM 0 HB2 MET B 94 4.030 4.690 0.614 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.984 6.364 0.096 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.614 4.988 0.810 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.940 4.895 -0.805 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.844 7.771 0.413 1.00 0.00 H new ATOM 0 HE2 MET B 94 8.375 6.186 1.071 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.860 6.333 -0.635 1.00 0.00 H new ATOM 1452 N GLY B 95 3.346 5.314 3.999 1.00 0.00 N ATOM 1453 CA GLY B 95 2.096 4.984 4.729 1.00 0.00 C ATOM 1454 C GLY B 95 1.448 3.787 4.041 1.00 0.00 C ATOM 1455 O GLY B 95 0.251 3.587 4.097 1.00 0.00 O ATOM 0 H GLY B 95 4.209 5.109 4.503 1.00 0.00 H new ATOM 0 HA2 GLY B 95 2.314 4.752 5.771 1.00 0.00 H new ATOM 0 HA3 GLY B 95 1.418 5.837 4.727 1.00 0.00 H new ATOM 1459 N LYS B 96 2.248 3.000 3.377 1.00 0.00 N ATOM 1460 CA LYS B 96 1.725 1.809 2.649 1.00 0.00 C ATOM 1461 C LYS B 96 2.550 0.576 3.019 1.00 0.00 C ATOM 1462 O LYS B 96 3.152 0.501 4.066 1.00 0.00 O ATOM 1463 CB LYS B 96 1.850 2.063 1.143 1.00 0.00 C ATOM 1464 CG LYS B 96 0.971 3.258 0.734 1.00 0.00 C ATOM 1465 CD LYS B 96 0.039 2.850 -0.414 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.658 4.091 -0.973 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.605 4.629 0.045 1.00 0.00 N ATOM 0 H LYS B 96 3.257 3.133 3.307 1.00 0.00 H new ATOM 0 HA LYS B 96 0.683 1.639 2.920 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.890 2.261 0.885 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.548 1.173 0.590 1.00 0.00 H new ATOM 0 HG2 LYS B 96 0.384 3.598 1.587 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.599 4.094 0.425 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.609 2.355 -1.200 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.701 2.134 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS B 96 0.080 4.849 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.195 3.839 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.188 5.376 -0.384 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.220 3.863 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.069 5.024 0.844 1.00 0.00 H new ATOM 1481 N GLN B 97 2.573 -0.385 2.141 1.00 0.00 N ATOM 1482 CA GLN B 97 3.343 -1.633 2.373 1.00 0.00 C ATOM 1483 C GLN B 97 4.081 -1.938 1.068 1.00 0.00 C ATOM 1484 O GLN B 97 3.571 -1.674 -0.001 1.00 0.00 O ATOM 1485 CB GLN B 97 2.358 -2.754 2.704 1.00 0.00 C ATOM 1486 CG GLN B 97 1.911 -2.613 4.175 1.00 0.00 C ATOM 1487 CD GLN B 97 0.428 -2.978 4.330 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.120 -2.883 5.409 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.249 -3.396 3.296 1.00 0.00 N ATOM 0 H GLN B 97 2.077 -0.355 1.250 1.00 0.00 H new ATOM 0 HA GLN B 97 4.050 -1.537 3.197 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.494 -2.704 2.042 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.826 -3.725 2.544 1.00 0.00 H new ATOM 0 HG2 GLN B 97 2.518 -3.260 4.808 1.00 0.00 H new ATOM 0 HG3 GLN B 97 2.076 -1.590 4.514 1.00 0.00 H new ATOM 0 HE21 GLN B 97 0.207 -3.478 2.387 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.234 -3.641 3.397 1.00 0.00 H new ATOM 1498 N TRP B 98 5.282 -2.448 1.125 1.00 0.00 N ATOM 1499 CA TRP B 98 6.018 -2.702 -0.148 1.00 0.00 C ATOM 1500 C TRP B 98 6.808 -4.007 -0.061 1.00 0.00 C ATOM 1501 O TRP B 98 7.421 -4.299 0.945 1.00 0.00 O ATOM 1502 CB TRP B 98 6.983 -1.538 -0.379 1.00 0.00 C ATOM 1503 CG TRP B 98 6.222 -0.252 -0.358 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.882 0.440 0.755 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.701 0.503 -1.484 1.00 0.00 C ATOM 1506 NE1 TRP B 98 5.177 1.571 0.378 1.00 0.00 N ATOM 1507 CE2 TRP B 98 5.041 1.653 -0.992 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.738 0.298 -2.865 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.435 2.567 -1.854 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.135 1.212 -3.737 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.481 2.345 -3.234 1.00 0.00 C ATOM 0 H TRP B 98 5.778 -2.696 1.981 1.00 0.00 H new ATOM 0 HA TRP B 98 5.308 -2.786 -0.971 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.753 -1.531 0.393 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.492 -1.657 -1.336 1.00 0.00 H new ATOM 0 HD1 TRP B 98 6.121 0.157 1.769 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.804 2.259 1.033 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.236 -0.573 -3.264 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.935 3.439 -1.459 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.174 1.043 -4.803 1.00 0.00 H new ATOM 0 HH2 TRP B 98 4.014 3.045 -3.911 1.00 0.00 H new ATOM 1522 N HIS B 99 6.836 -4.783 -1.118 1.00 0.00 N ATOM 1523 CA HIS B 99 7.637 -6.038 -1.063 1.00 0.00 C ATOM 1524 C HIS B 99 9.062 -5.637 -0.708 1.00 0.00 C ATOM 1525 O HIS B 99 9.621 -4.730 -1.295 1.00 0.00 O ATOM 1526 CB HIS B 99 7.653 -6.741 -2.425 1.00 0.00 C ATOM 1527 CG HIS B 99 6.399 -7.550 -2.617 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.488 -7.260 -3.616 1.00 0.00 N ATOM 1529 CD2 HIS B 99 5.906 -8.648 -1.965 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.498 -8.168 -3.538 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.705 -9.039 -2.548 1.00 0.00 N ATOM 0 H HIS B 99 6.349 -4.605 -1.996 1.00 0.00 H new ATOM 0 HA HIS B 99 7.205 -6.721 -0.332 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.741 -6.002 -3.221 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.526 -7.390 -2.495 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.378 -9.137 -1.125 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.641 -8.189 -4.195 1.00 0.00 H new ATOM 0 HE2 HIS B 99 4.111 -9.822 -2.277 1.00 0.00 H new ATOM 1539 N VAL B 100 9.666 -6.286 0.234 1.00 0.00 N ATOM 1540 CA VAL B 100 11.054 -5.918 0.597 1.00 0.00 C ATOM 1541 C VAL B 100 11.903 -5.934 -0.672 1.00 0.00 C ATOM 1542 O VAL B 100 13.009 -5.433 -0.706 1.00 0.00 O ATOM 1543 CB VAL B 100 11.590 -6.939 1.594 1.00 0.00 C ATOM 1544 CG1 VAL B 100 13.119 -6.903 1.603 1.00 0.00 C ATOM 1545 CG2 VAL B 100 11.056 -6.600 2.984 1.00 0.00 C ATOM 0 H VAL B 100 9.262 -7.055 0.769 1.00 0.00 H new ATOM 0 HA VAL B 100 11.085 -4.926 1.048 1.00 0.00 H new ATOM 0 HB VAL B 100 11.264 -7.939 1.308 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.496 -7.635 2.317 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.494 -7.141 0.608 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.458 -5.908 1.890 1.00 0.00 H new ATOM 0 HG21 VAL B 100 11.433 -7.325 3.705 1.00 0.00 H new ATOM 0 HG22 VAL B 100 11.386 -5.600 3.267 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.967 -6.633 2.973 1.00 0.00 H new ATOM 1555 N GLU B 101 11.385 -6.525 -1.707 1.00 0.00 N ATOM 1556 CA GLU B 101 12.140 -6.610 -2.982 1.00 0.00 C ATOM 1557 C GLU B 101 11.731 -5.472 -3.929 1.00 0.00 C ATOM 1558 O GLU B 101 12.498 -5.066 -4.779 1.00 0.00 O ATOM 1559 CB GLU B 101 11.841 -7.960 -3.645 1.00 0.00 C ATOM 1560 CG GLU B 101 12.415 -7.989 -5.064 1.00 0.00 C ATOM 1561 CD GLU B 101 13.896 -7.607 -5.031 1.00 0.00 C ATOM 1562 OE1 GLU B 101 14.665 -8.348 -4.438 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.234 -6.581 -5.594 1.00 0.00 O ATOM 0 H GLU B 101 10.461 -6.957 -1.724 1.00 0.00 H new ATOM 0 HA GLU B 101 13.206 -6.520 -2.773 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.272 -8.768 -3.054 1.00 0.00 H new ATOM 0 HB3 GLU B 101 10.764 -8.128 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.296 -8.983 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU B 101 11.866 -7.297 -5.703 1.00 0.00 H new ATOM 1570 N HIS B 102 10.530 -4.967 -3.810 1.00 0.00 N ATOM 1571 CA HIS B 102 10.091 -3.872 -4.732 1.00 0.00 C ATOM 1572 C HIS B 102 10.246 -2.505 -4.066 1.00 0.00 C ATOM 1573 O HIS B 102 10.084 -1.485 -4.704 1.00 0.00 O ATOM 1574 CB HIS B 102 8.627 -4.084 -5.134 1.00 0.00 C ATOM 1575 CG HIS B 102 8.503 -5.371 -5.904 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.343 -6.143 -5.911 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.396 -6.038 -6.710 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.575 -7.212 -6.697 1.00 0.00 C ATOM 1579 NE2 HIS B 102 8.807 -7.197 -7.205 1.00 0.00 N ATOM 0 H HIS B 102 9.838 -5.261 -3.121 1.00 0.00 H new ATOM 0 HA HIS B 102 10.722 -3.900 -5.620 1.00 0.00 H new ATOM 0 HB2 HIS B 102 7.995 -4.116 -4.246 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.280 -3.248 -5.742 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.402 -5.711 -6.926 1.00 0.00 H new ATOM 0 HE1 HIS B 102 6.850 -7.988 -6.892 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.229 -7.889 -7.825 1.00 0.00 H new ATOM 1587 N PHE B 103 10.590 -2.456 -2.809 1.00 0.00 N ATOM 1588 CA PHE B 103 10.780 -1.128 -2.175 1.00 0.00 C ATOM 1589 C PHE B 103 12.160 -0.641 -2.577 1.00 0.00 C ATOM 1590 O PHE B 103 13.166 -1.158 -2.133 1.00 0.00 O ATOM 1591 CB PHE B 103 10.681 -1.213 -0.651 1.00 0.00 C ATOM 1592 CG PHE B 103 10.538 0.190 -0.103 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.438 0.978 -0.472 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.512 0.713 0.757 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.312 2.281 0.018 1.00 0.00 C ATOM 1596 CE2 PHE B 103 11.382 2.019 1.246 1.00 0.00 C ATOM 1597 CZ PHE B 103 10.285 2.802 0.877 1.00 0.00 C ATOM 0 H PHE B 103 10.745 -3.263 -2.205 1.00 0.00 H new ATOM 0 HA PHE B 103 10.000 -0.442 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.826 -1.823 -0.360 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.569 -1.692 -0.239 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.687 0.577 -1.136 1.00 0.00 H new ATOM 0 HD2 PHE B 103 12.362 0.110 1.042 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.463 2.885 -0.267 1.00 0.00 H new ATOM 0 HE2 PHE B 103 12.132 2.422 1.910 1.00 0.00 H new ATOM 0 HZ PHE B 103 10.189 3.809 1.255 1.00 0.00 H new ATOM 1607 N VAL B 104 12.216 0.311 -3.459 1.00 0.00 N ATOM 1608 CA VAL B 104 13.532 0.797 -3.947 1.00 0.00 C ATOM 1609 C VAL B 104 13.585 2.315 -3.954 1.00 0.00 C ATOM 1610 O VAL B 104 12.612 3.001 -3.703 1.00 0.00 O ATOM 1611 CB VAL B 104 13.722 0.321 -5.385 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.647 -1.213 -5.463 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.626 0.937 -6.261 1.00 0.00 C ATOM 0 H VAL B 104 11.404 0.776 -3.865 1.00 0.00 H new ATOM 0 HA VAL B 104 14.309 0.412 -3.286 1.00 0.00 H new ATOM 0 HB VAL B 104 14.704 0.635 -5.738 1.00 0.00 H new ATOM 0 HG11 VAL B 104 13.785 -1.532 -6.496 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.430 -1.648 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.673 -1.548 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL B 104 12.753 0.603 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.648 0.623 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.696 2.024 -6.221 1.00 0.00 H new ATOM 1623 N CYS B 105 14.732 2.833 -4.277 1.00 0.00 N ATOM 1624 CA CYS B 105 14.911 4.302 -4.354 1.00 0.00 C ATOM 1625 C CYS B 105 14.006 4.863 -5.448 1.00 0.00 C ATOM 1626 O CYS B 105 13.724 4.207 -6.433 1.00 0.00 O ATOM 1627 CB CYS B 105 16.370 4.583 -4.698 1.00 0.00 C ATOM 1628 SG CYS B 105 16.542 6.243 -5.404 1.00 0.00 S ATOM 0 H CYS B 105 15.567 2.289 -4.495 1.00 0.00 H new ATOM 0 HA CYS B 105 14.652 4.771 -3.405 1.00 0.00 H new ATOM 0 HB2 CYS B 105 16.985 4.496 -3.802 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.733 3.839 -5.407 1.00 0.00 H new ATOM 1633 N ALA B 106 13.541 6.069 -5.286 1.00 0.00 N ATOM 1634 CA ALA B 106 12.651 6.668 -6.313 1.00 0.00 C ATOM 1635 C ALA B 106 13.490 7.452 -7.329 1.00 0.00 C ATOM 1636 O ALA B 106 13.030 8.408 -7.921 1.00 0.00 O ATOM 1637 CB ALA B 106 11.666 7.603 -5.616 1.00 0.00 C ATOM 0 H ALA B 106 13.741 6.666 -4.484 1.00 0.00 H new ATOM 0 HA ALA B 106 12.106 5.885 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA B 106 11.004 8.052 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA B 106 11.074 7.037 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA B 106 12.215 8.388 -5.097 1.00 0.00 H new ATOM 1643 N LYS B 107 14.718 7.050 -7.534 1.00 0.00 N ATOM 1644 CA LYS B 107 15.597 7.765 -8.515 1.00 0.00 C ATOM 1645 C LYS B 107 16.407 6.755 -9.329 1.00 0.00 C ATOM 1646 O LYS B 107 16.741 6.995 -10.474 1.00 0.00 O ATOM 1647 CB LYS B 107 16.573 8.678 -7.761 1.00 0.00 C ATOM 1648 CG LYS B 107 17.421 9.479 -8.756 1.00 0.00 C ATOM 1649 CD LYS B 107 16.515 10.354 -9.633 1.00 0.00 C ATOM 1650 CE LYS B 107 17.264 11.625 -10.047 1.00 0.00 C ATOM 1651 NZ LYS B 107 17.205 12.619 -8.938 1.00 0.00 N ATOM 0 H LYS B 107 15.153 6.256 -7.064 1.00 0.00 H new ATOM 0 HA LYS B 107 14.968 8.354 -9.182 1.00 0.00 H new ATOM 0 HB2 LYS B 107 16.020 9.358 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.220 8.080 -7.119 1.00 0.00 H new ATOM 0 HG2 LYS B 107 18.134 10.104 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS B 107 18.001 8.800 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS B 107 16.205 9.799 -10.518 1.00 0.00 H new ATOM 0 HD3 LYS B 107 15.609 10.616 -9.087 1.00 0.00 H new ATOM 0 HE2 LYS B 107 18.302 11.388 -10.283 1.00 0.00 H new ATOM 0 HE3 LYS B 107 16.820 12.044 -10.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 17.177 13.580 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 16.350 12.454 -8.369 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 18.046 12.517 -8.335 1.00 0.00 H new ATOM 1665 N CYS B 108 16.748 5.639 -8.743 1.00 0.00 N ATOM 1666 CA CYS B 108 17.565 4.622 -9.475 1.00 0.00 C ATOM 1667 C CYS B 108 16.904 3.247 -9.379 1.00 0.00 C ATOM 1668 O CYS B 108 17.236 2.341 -10.114 1.00 0.00 O ATOM 1669 CB CYS B 108 18.948 4.558 -8.836 1.00 0.00 C ATOM 1670 SG CYS B 108 18.781 3.968 -7.139 1.00 0.00 S ATOM 0 H CYS B 108 16.497 5.385 -7.788 1.00 0.00 H new ATOM 0 HA CYS B 108 17.642 4.905 -10.525 1.00 0.00 H new ATOM 0 HB2 CYS B 108 19.596 3.891 -9.405 1.00 0.00 H new ATOM 0 HB3 CYS B 108 19.415 5.543 -8.848 1.00 0.00 H new ATOM 1675 N GLU B 109 15.977 3.084 -8.476 1.00 0.00 N ATOM 1676 CA GLU B 109 15.296 1.776 -8.326 1.00 0.00 C ATOM 1677 C GLU B 109 16.247 0.753 -7.708 1.00 0.00 C ATOM 1678 O GLU B 109 16.351 -0.365 -8.164 1.00 0.00 O ATOM 1679 CB GLU B 109 14.802 1.269 -9.689 1.00 0.00 C ATOM 1680 CG GLU B 109 14.239 2.439 -10.507 1.00 0.00 C ATOM 1681 CD GLU B 109 13.168 1.922 -11.473 1.00 0.00 C ATOM 1682 OE1 GLU B 109 12.045 1.734 -11.037 1.00 0.00 O ATOM 1683 OE2 GLU B 109 13.492 1.723 -12.632 1.00 0.00 O ATOM 0 H GLU B 109 15.662 3.810 -7.832 1.00 0.00 H new ATOM 0 HA GLU B 109 14.438 1.909 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU B 109 15.622 0.796 -10.230 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.033 0.509 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU B 109 13.811 3.189 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.040 2.926 -11.063 1.00 0.00 H new ATOM 1690 N LYS B 110 16.919 1.125 -6.649 1.00 0.00 N ATOM 1691 CA LYS B 110 17.835 0.167 -5.967 1.00 0.00 C ATOM 1692 C LYS B 110 17.108 -0.365 -4.720 1.00 0.00 C ATOM 1693 O LYS B 110 16.886 0.378 -3.786 1.00 0.00 O ATOM 1694 CB LYS B 110 19.121 0.884 -5.548 1.00 0.00 C ATOM 1695 CG LYS B 110 20.223 -0.150 -5.266 1.00 0.00 C ATOM 1696 CD LYS B 110 20.266 -0.473 -3.772 1.00 0.00 C ATOM 1697 CE LYS B 110 21.382 -1.483 -3.498 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.658 -0.986 -4.089 1.00 0.00 N ATOM 0 H LYS B 110 16.872 2.053 -6.228 1.00 0.00 H new ATOM 0 HA LYS B 110 18.099 -0.651 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.442 1.566 -6.336 1.00 0.00 H new ATOM 0 HB3 LYS B 110 18.939 1.487 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.036 -1.059 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.189 0.237 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.436 0.437 -3.197 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.307 -0.879 -3.449 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.499 -1.630 -2.424 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.124 -2.452 -3.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.461 -1.467 -3.635 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.668 -1.184 -5.110 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.736 0.039 -3.934 1.00 0.00 H new ATOM 1712 N PRO B 111 16.717 -1.619 -4.748 1.00 0.00 N ATOM 1713 CA PRO B 111 15.966 -2.221 -3.631 1.00 0.00 C ATOM 1714 C PRO B 111 16.825 -2.384 -2.385 1.00 0.00 C ATOM 1715 O PRO B 111 17.963 -2.803 -2.436 1.00 0.00 O ATOM 1716 CB PRO B 111 15.537 -3.599 -4.143 1.00 0.00 C ATOM 1717 CG PRO B 111 16.235 -3.833 -5.499 1.00 0.00 C ATOM 1718 CD PRO B 111 16.980 -2.537 -5.871 1.00 0.00 C ATOM 0 HA PRO B 111 15.127 -1.588 -3.342 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.815 -4.376 -3.430 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.454 -3.645 -4.257 1.00 0.00 H new ATOM 0 HG2 PRO B 111 16.931 -4.669 -5.432 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.504 -4.088 -6.267 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.048 -2.716 -5.995 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.615 -2.126 -6.812 1.00 0.00 H new ATOM 1726 N PHE B 112 16.252 -2.081 -1.257 1.00 0.00 N ATOM 1727 CA PHE B 112 16.993 -2.243 0.030 1.00 0.00 C ATOM 1728 C PHE B 112 16.633 -3.597 0.642 1.00 0.00 C ATOM 1729 O PHE B 112 16.163 -3.672 1.761 1.00 0.00 O ATOM 1730 CB PHE B 112 17.423 -0.971 1.701 1.00 0.00 C ATOM 1731 CG PHE B 112 16.321 0.132 0.264 1.00 0.00 C ATOM 1732 CD1 PHE B 112 15.069 0.327 -0.326 1.00 0.00 C ATOM 1733 CD2 PHE B 112 17.303 1.120 0.169 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.801 1.518 -1.014 1.00 0.00 C ATOM 1735 CE2 PHE B 112 17.038 2.306 -0.517 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.787 2.509 -1.108 1.00 0.00 C ATOM 0 H PHE B 112 15.300 -1.727 -1.166 1.00 0.00 H new ATOM 0 HA PHE B 112 17.889 -1.933 -0.507 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.962 -1.191 2.664 1.00 0.00 H new ATOM 0 HB3 PHE B 112 18.458 -0.693 1.899 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.310 -0.438 -0.252 1.00 0.00 H new ATOM 0 HD2 PHE B 112 18.269 0.966 0.627 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.835 1.672 -1.472 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.800 3.068 -0.592 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.581 3.428 -1.636 1.00 0.00 H new ATOM 1745 N LEU B 113 16.844 -4.663 -0.074 1.00 0.00 N ATOM 1746 CA LEU B 113 16.504 -6.011 0.476 1.00 0.00 C ATOM 1747 C LEU B 113 16.877 -6.049 1.959 1.00 0.00 C ATOM 1748 O LEU B 113 16.058 -6.333 2.813 1.00 0.00 O ATOM 1749 CB LEU B 113 17.306 -7.079 -0.271 1.00 0.00 C ATOM 1750 CG LEU B 113 16.535 -7.515 -1.522 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.289 -6.299 -2.395 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.347 -8.543 -2.308 1.00 0.00 C ATOM 0 H LEU B 113 17.236 -4.664 -1.015 1.00 0.00 H new ATOM 0 HA LEU B 113 15.438 -6.203 0.354 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.283 -6.685 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.482 -7.937 0.378 1.00 0.00 H new ATOM 0 HG LEU B 113 15.587 -7.964 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.741 -6.598 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.706 -5.565 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.244 -5.860 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU B 113 16.790 -8.846 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.297 -8.103 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.534 -9.415 -1.681 1.00 0.00 H new ATOM 1764 N GLY B 114 18.105 -5.750 2.262 1.00 0.00 N ATOM 1765 CA GLY B 114 18.556 -5.744 3.683 1.00 0.00 C ATOM 1766 C GLY B 114 19.389 -4.490 3.933 1.00 0.00 C ATOM 1767 O GLY B 114 20.299 -4.486 4.740 1.00 0.00 O ATOM 0 H GLY B 114 18.825 -5.507 1.582 1.00 0.00 H new ATOM 0 HA2 GLY B 114 17.695 -5.764 4.352 1.00 0.00 H new ATOM 0 HA3 GLY B 114 19.145 -6.636 3.895 1.00 0.00 H new ATOM 1771 N HIS B 115 19.090 -3.423 3.240 1.00 0.00 N ATOM 1772 CA HIS B 115 19.867 -2.158 3.422 1.00 0.00 C ATOM 1773 C HIS B 115 18.953 -1.058 3.973 1.00 0.00 C ATOM 1774 O HIS B 115 17.773 -1.263 4.184 1.00 0.00 O ATOM 1775 CB HIS B 115 20.442 -1.715 2.072 1.00 0.00 C ATOM 1776 CG HIS B 115 20.752 -2.922 1.232 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.513 -2.953 -0.134 1.00 0.00 N ATOM 1778 CD2 HIS B 115 21.275 -4.148 1.548 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.893 -4.163 -0.584 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.366 -4.932 0.401 1.00 0.00 N ATOM 0 H HIS B 115 18.338 -3.371 2.553 1.00 0.00 H new ATOM 0 HA HIS B 115 20.679 -2.335 4.127 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.728 -1.074 1.555 1.00 0.00 H new ATOM 0 HB3 HIS B 115 21.346 -1.126 2.227 1.00 0.00 H new ATOM 0 HD2 HIS B 115 21.572 -4.460 2.538 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.824 -4.475 -1.616 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.718 -5.887 0.328 1.00 0.00 H new ATOM 1788 N ARG B 116 19.495 0.106 4.207 1.00 0.00 N ATOM 1789 CA ARG B 116 18.673 1.232 4.744 1.00 0.00 C ATOM 1790 C ARG B 116 18.175 2.095 3.582 1.00 0.00 C ATOM 1791 O ARG B 116 18.862 2.279 2.596 1.00 0.00 O ATOM 1792 CB ARG B 116 19.542 2.088 5.679 1.00 0.00 C ATOM 1793 CG ARG B 116 18.883 3.453 5.907 1.00 0.00 C ATOM 1794 CD ARG B 116 19.553 4.155 7.090 1.00 0.00 C ATOM 1795 NE ARG B 116 18.774 5.375 7.447 1.00 0.00 N ATOM 1796 CZ ARG B 116 18.975 5.965 8.593 1.00 0.00 C ATOM 1797 NH1 ARG B 116 19.860 5.487 9.427 1.00 0.00 N ATOM 1798 NH2 ARG B 116 18.292 7.032 8.908 1.00 0.00 N ATOM 0 H ARG B 116 20.478 0.328 4.049 1.00 0.00 H new ATOM 0 HA ARG B 116 17.820 0.836 5.295 1.00 0.00 H new ATOM 0 HB2 ARG B 116 19.677 1.577 6.632 1.00 0.00 H new ATOM 0 HB3 ARG B 116 20.533 2.222 5.246 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.972 4.065 5.010 1.00 0.00 H new ATOM 0 HG3 ARG B 116 17.818 3.326 6.102 1.00 0.00 H new ATOM 0 HD2 ARG B 116 19.606 3.481 7.945 1.00 0.00 H new ATOM 0 HD3 ARG B 116 20.577 4.426 6.834 1.00 0.00 H new ATOM 0 HE ARG B 116 18.084 5.748 6.795 1.00 0.00 H new ATOM 0 HH11 ARG B 116 20.393 4.653 9.182 1.00 0.00 H new ATOM 0 HH12 ARG B 116 20.017 5.948 10.323 1.00 0.00 H new ATOM 0 HH21 ARG B 116 17.600 7.405 8.258 1.00 0.00 H new ATOM 0 HH22 ARG B 116 18.450 7.492 9.804 1.00 0.00 H new ATOM 1812 N HIS B 117 16.987 2.637 3.693 1.00 0.00 N ATOM 1813 CA HIS B 117 16.450 3.500 2.600 1.00 0.00 C ATOM 1814 C HIS B 117 16.258 4.917 3.118 1.00 0.00 C ATOM 1815 O HIS B 117 16.360 5.185 4.300 1.00 0.00 O ATOM 1816 CB HIS B 117 15.105 2.971 2.114 1.00 0.00 C ATOM 1817 CG HIS B 117 14.268 2.576 3.296 1.00 0.00 C ATOM 1818 ND1 HIS B 117 14.328 1.312 3.859 1.00 0.00 N ATOM 1819 CD2 HIS B 117 13.340 3.272 4.034 1.00 0.00 C ATOM 1820 CE1 HIS B 117 13.462 1.285 4.891 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.835 2.455 5.041 1.00 0.00 N ATOM 0 H HIS B 117 16.367 2.518 4.494 1.00 0.00 H new ATOM 0 HA HIS B 117 17.161 3.493 1.774 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.591 3.734 1.529 1.00 0.00 H new ATOM 0 HB3 HIS B 117 15.255 2.114 1.458 1.00 0.00 H new ATOM 0 HD2 HIS B 117 13.047 4.297 3.859 1.00 0.00 H new ATOM 0 HE1 HIS B 117 13.295 0.423 5.520 1.00 0.00 H new ATOM 0 HE2 HIS B 117 12.136 2.698 5.743 1.00 0.00 H new ATOM 1829 N TYR B 118 15.999 5.831 2.229 1.00 0.00 N ATOM 1830 CA TYR B 118 15.816 7.247 2.630 1.00 0.00 C ATOM 1831 C TYR B 118 14.549 7.792 1.954 1.00 0.00 C ATOM 1832 O TYR B 118 14.280 7.511 0.804 1.00 0.00 O ATOM 1833 CB TYR B 118 17.061 8.007 2.189 1.00 0.00 C ATOM 1834 CG TYR B 118 18.271 7.211 2.632 1.00 0.00 C ATOM 1835 CD1 TYR B 118 18.575 5.989 2.010 1.00 0.00 C ATOM 1836 CD2 TYR B 118 19.071 7.669 3.685 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.668 5.235 2.442 1.00 0.00 C ATOM 1838 CE2 TYR B 118 20.163 6.906 4.115 1.00 0.00 C ATOM 1839 CZ TYR B 118 20.459 5.691 3.496 1.00 0.00 C ATOM 1840 OH TYR B 118 21.533 4.942 3.934 1.00 0.00 O ATOM 0 H TYR B 118 15.905 5.653 1.229 1.00 0.00 H new ATOM 0 HA TYR B 118 15.692 7.356 3.707 1.00 0.00 H new ATOM 0 HB2 TYR B 118 17.065 8.138 1.107 1.00 0.00 H new ATOM 0 HB3 TYR B 118 17.077 9.003 2.631 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.962 5.632 1.196 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.846 8.610 4.165 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.901 4.297 1.959 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.779 7.259 4.929 1.00 0.00 H new ATOM 0 HH TYR B 118 21.648 4.163 3.351 1.00 0.00 H new ATOM 1850 N GLU B 119 13.752 8.544 2.675 1.00 0.00 N ATOM 1851 CA GLU B 119 12.475 9.068 2.091 1.00 0.00 C ATOM 1852 C GLU B 119 12.574 10.566 1.805 1.00 0.00 C ATOM 1853 O GLU B 119 13.244 11.306 2.497 1.00 0.00 O ATOM 1854 CB GLU B 119 11.338 8.827 3.086 1.00 0.00 C ATOM 1855 CG GLU B 119 10.824 7.394 2.941 1.00 0.00 C ATOM 1856 CD GLU B 119 9.879 7.069 4.099 1.00 0.00 C ATOM 1857 OE1 GLU B 119 8.697 7.341 3.966 1.00 0.00 O ATOM 1858 OE2 GLU B 119 10.350 6.553 5.097 1.00 0.00 O ATOM 0 H GLU B 119 13.930 8.818 3.641 1.00 0.00 H new ATOM 0 HA GLU B 119 12.284 8.547 1.153 1.00 0.00 H new ATOM 0 HB2 GLU B 119 11.690 8.997 4.104 1.00 0.00 H new ATOM 0 HB3 GLU B 119 10.528 9.534 2.907 1.00 0.00 H new ATOM 0 HG2 GLU B 119 10.304 7.278 1.990 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.661 6.696 2.934 1.00 0.00 H new ATOM 1865 N ARG B 120 11.886 11.014 0.786 1.00 0.00 N ATOM 1866 CA ARG B 120 11.909 12.468 0.445 1.00 0.00 C ATOM 1867 C ARG B 120 10.604 12.873 -0.247 1.00 0.00 C ATOM 1868 O ARG B 120 10.172 12.258 -1.200 1.00 0.00 O ATOM 1869 CB ARG B 120 13.076 12.766 -0.492 1.00 0.00 C ATOM 1870 CG ARG B 120 13.169 14.283 -0.734 1.00 0.00 C ATOM 1871 CD ARG B 120 13.086 14.577 -2.233 1.00 0.00 C ATOM 1872 NE ARG B 120 11.898 13.890 -2.816 1.00 0.00 N ATOM 1873 CZ ARG B 120 11.476 14.219 -4.007 1.00 0.00 C ATOM 1874 NH1 ARG B 120 12.094 15.146 -4.685 1.00 0.00 N ATOM 1875 NH2 ARG B 120 10.437 13.617 -4.518 1.00 0.00 N ATOM 0 H ARG B 120 11.309 10.435 0.175 1.00 0.00 H new ATOM 0 HA ARG B 120 12.022 13.035 1.369 1.00 0.00 H new ATOM 0 HB2 ARG B 120 14.006 12.399 -0.059 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.938 12.244 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG B 120 12.362 14.794 -0.209 1.00 0.00 H new ATOM 0 HG3 ARG B 120 14.106 14.668 -0.330 1.00 0.00 H new ATOM 0 HD2 ARG B 120 13.014 15.652 -2.399 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.995 14.238 -2.731 1.00 0.00 H new ATOM 0 HE ARG B 120 11.416 13.164 -2.285 1.00 0.00 H new ATOM 0 HH11 ARG B 120 12.907 15.614 -4.285 1.00 0.00 H new ATOM 0 HH12 ARG B 120 11.764 15.403 -5.615 1.00 0.00 H new ATOM 0 HH21 ARG B 120 9.956 12.891 -3.987 1.00 0.00 H new ATOM 0 HH22 ARG B 120 10.106 13.873 -5.448 1.00 0.00 H new ATOM 1889 N LYS B 121 9.984 13.913 0.233 1.00 0.00 N ATOM 1890 CA LYS B 121 8.715 14.395 -0.375 1.00 0.00 C ATOM 1891 C LYS B 121 7.742 13.237 -0.496 1.00 0.00 C ATOM 1892 O LYS B 121 6.825 13.262 -1.294 1.00 0.00 O ATOM 1893 CB LYS B 121 8.986 14.985 -1.759 1.00 0.00 C ATOM 1894 CG LYS B 121 9.783 16.283 -1.621 1.00 0.00 C ATOM 1895 CD LYS B 121 9.729 17.059 -2.939 1.00 0.00 C ATOM 1896 CE LYS B 121 10.481 18.382 -2.783 1.00 0.00 C ATOM 1897 NZ LYS B 121 9.687 19.307 -1.927 1.00 0.00 N ATOM 0 H LYS B 121 10.308 14.457 1.033 1.00 0.00 H new ATOM 0 HA LYS B 121 8.285 15.169 0.261 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.540 14.270 -2.367 1.00 0.00 H new ATOM 0 HB3 LYS B 121 8.044 15.178 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS B 121 9.374 16.889 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.818 16.061 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS B 121 10.173 16.468 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS B 121 8.693 17.248 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS B 121 11.459 18.206 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS B 121 10.653 18.832 -3.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 10.047 20.277 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 8.688 19.274 -2.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 9.771 19.017 -0.932 1.00 0.00 H new ATOM 1911 N GLY B 122 7.923 12.226 0.296 1.00 0.00 N ATOM 1912 CA GLY B 122 6.995 11.071 0.227 1.00 0.00 C ATOM 1913 C GLY B 122 7.469 10.095 -0.842 1.00 0.00 C ATOM 1914 O GLY B 122 6.685 9.412 -1.469 1.00 0.00 O ATOM 0 H GLY B 122 8.670 12.148 0.986 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.948 10.571 1.195 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.987 11.415 -0.003 1.00 0.00 H new ATOM 1918 N LEU B 123 8.748 10.025 -1.047 1.00 0.00 N ATOM 1919 CA LEU B 123 9.298 9.088 -2.064 1.00 0.00 C ATOM 1920 C LEU B 123 10.613 8.519 -1.549 1.00 0.00 C ATOM 1921 O LEU B 123 11.384 9.195 -0.897 1.00 0.00 O ATOM 1922 CB LEU B 123 9.539 9.821 -3.385 1.00 0.00 C ATOM 1923 CG LEU B 123 8.240 9.916 -4.184 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.509 10.693 -5.473 1.00 0.00 C ATOM 1925 CD2 LEU B 123 7.733 8.505 -4.524 1.00 0.00 C ATOM 0 H LEU B 123 9.445 10.580 -0.551 1.00 0.00 H new ATOM 0 HA LEU B 123 8.584 8.283 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.927 10.821 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.295 9.295 -3.968 1.00 0.00 H new ATOM 0 HG LEU B 123 7.481 10.430 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.588 10.767 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU B 123 8.865 11.694 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.266 10.173 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU B 123 6.807 8.579 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.483 7.982 -5.117 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.549 7.953 -3.603 1.00 0.00 H new ATOM 1937 N ALA B 124 10.870 7.273 -1.818 1.00 0.00 N ATOM 1938 CA ALA B 124 12.126 6.655 -1.322 1.00 0.00 C ATOM 1939 C ALA B 124 13.314 7.107 -2.159 1.00 0.00 C ATOM 1940 O ALA B 124 13.192 7.418 -3.326 1.00 0.00 O ATOM 1941 CB ALA B 124 12.025 5.134 -1.416 1.00 0.00 C ATOM 0 H ALA B 124 10.265 6.656 -2.360 1.00 0.00 H new ATOM 0 HA ALA B 124 12.270 6.965 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.949 4.685 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.188 4.787 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.866 4.843 -2.454 1.00 0.00 H new ATOM 1947 N TYR B 125 14.473 7.114 -1.566 1.00 0.00 N ATOM 1948 CA TYR B 125 15.691 7.510 -2.310 1.00 0.00 C ATOM 1949 C TYR B 125 16.891 6.845 -1.665 1.00 0.00 C ATOM 1950 O TYR B 125 16.976 6.756 -0.464 1.00 0.00 O ATOM 1951 CB TYR B 125 15.865 9.021 -2.249 1.00 0.00 C ATOM 1952 CG TYR B 125 14.894 9.664 -3.190 1.00 0.00 C ATOM 1953 CD1 TYR B 125 15.189 9.751 -4.551 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.696 10.174 -2.698 1.00 0.00 C ATOM 1955 CE1 TYR B 125 14.269 10.350 -5.425 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.785 10.769 -3.560 1.00 0.00 C ATOM 1957 CZ TYR B 125 13.067 10.860 -4.926 1.00 0.00 C ATOM 1958 OH TYR B 125 12.161 11.455 -5.780 1.00 0.00 O ATOM 0 H TYR B 125 14.627 6.860 -0.590 1.00 0.00 H new ATOM 0 HA TYR B 125 15.601 7.202 -3.352 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.697 9.378 -1.233 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.886 9.293 -2.518 1.00 0.00 H new ATOM 0 HD1 TYR B 125 16.121 9.359 -4.930 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.475 10.107 -1.643 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.489 10.417 -6.480 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.856 11.163 -3.174 1.00 0.00 H new ATOM 0 HH TYR B 125 11.253 11.326 -5.435 1.00 0.00 H new ATOM 1968 N CYS B 126 17.824 6.378 -2.435 1.00 0.00 N ATOM 1969 CA CYS B 126 19.000 5.737 -1.803 1.00 0.00 C ATOM 1970 C CYS B 126 19.654 6.749 -0.858 1.00 0.00 C ATOM 1971 O CYS B 126 19.244 7.888 -0.774 1.00 0.00 O ATOM 1972 CB CYS B 126 20.026 5.339 -2.863 1.00 0.00 C ATOM 1973 SG CYS B 126 19.379 4.002 -3.882 1.00 0.00 S ATOM 0 H CYS B 126 17.826 6.410 -3.454 1.00 0.00 H new ATOM 0 HA CYS B 126 18.675 4.847 -1.265 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.267 6.199 -3.488 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.953 5.025 -2.383 1.00 0.00 H new ATOM 1978 N GLU B 127 20.682 6.346 -0.169 1.00 0.00 N ATOM 1979 CA GLU B 127 21.384 7.288 0.752 1.00 0.00 C ATOM 1980 C GLU B 127 21.997 8.431 -0.062 1.00 0.00 C ATOM 1981 O GLU B 127 22.065 9.563 0.381 1.00 0.00 O ATOM 1982 CB GLU B 127 22.520 6.554 1.468 1.00 0.00 C ATOM 1983 CG GLU B 127 23.102 7.448 2.569 1.00 0.00 C ATOM 1984 CD GLU B 127 23.941 6.598 3.526 1.00 0.00 C ATOM 1985 OE1 GLU B 127 24.377 5.535 3.117 1.00 0.00 O ATOM 1986 OE2 GLU B 127 24.134 7.027 4.650 1.00 0.00 O ATOM 0 H GLU B 127 21.070 5.403 -0.202 1.00 0.00 H new ATOM 0 HA GLU B 127 20.668 7.676 1.477 1.00 0.00 H new ATOM 0 HB2 GLU B 127 22.150 5.624 1.900 1.00 0.00 H new ATOM 0 HB3 GLU B 127 23.299 6.286 0.754 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.717 8.233 2.128 1.00 0.00 H new ATOM 0 HG3 GLU B 127 22.298 7.942 3.114 1.00 0.00 H new ATOM 1993 N THR B 128 22.473 8.131 -1.238 1.00 0.00 N ATOM 1994 CA THR B 128 23.122 9.173 -2.084 1.00 0.00 C ATOM 1995 C THR B 128 22.096 9.920 -2.927 1.00 0.00 C ATOM 1996 O THR B 128 22.151 11.127 -3.042 1.00 0.00 O ATOM 1997 CB THR B 128 24.148 8.509 -3.007 1.00 0.00 C ATOM 1998 OG1 THR B 128 25.184 7.936 -2.223 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.738 9.554 -3.955 1.00 0.00 C ATOM 0 H THR B 128 22.440 7.200 -1.654 1.00 0.00 H new ATOM 0 HA THR B 128 23.612 9.891 -1.426 1.00 0.00 H new ATOM 0 HB THR B 128 23.661 7.729 -3.592 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.841 7.509 -2.811 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.468 9.079 -4.611 1.00 0.00 H new ATOM 0 HG22 THR B 128 23.941 9.992 -4.556 1.00 0.00 H new ATOM 0 HG23 THR B 128 25.227 10.337 -3.375 1.00 0.00 H new ATOM 2007 N HIS B 129 21.166 9.239 -3.526 1.00 0.00 N ATOM 2008 CA HIS B 129 20.175 9.953 -4.355 1.00 0.00 C ATOM 2009 C HIS B 129 19.330 10.816 -3.441 1.00 0.00 C ATOM 2010 O HIS B 129 19.090 11.973 -3.716 1.00 0.00 O ATOM 2011 CB HIS B 129 19.315 8.945 -5.114 1.00 0.00 C ATOM 2012 CG HIS B 129 20.210 8.158 -6.043 1.00 0.00 C ATOM 2013 ND1 HIS B 129 20.084 6.782 -6.259 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.272 8.555 -6.821 1.00 0.00 C ATOM 2015 CE1 HIS B 129 21.046 6.423 -7.131 1.00 0.00 C ATOM 2016 NE2 HIS B 129 21.796 7.462 -7.503 1.00 0.00 N ATOM 0 H HIS B 129 21.052 8.227 -3.476 1.00 0.00 H new ATOM 0 HA HIS B 129 20.671 10.586 -5.091 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.810 8.276 -4.417 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.539 9.459 -5.681 1.00 0.00 H new ATOM 0 HD2 HIS B 129 21.644 9.566 -6.892 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.193 5.414 -7.487 1.00 0.00 H new ATOM 0 HE2 HIS B 129 22.585 7.456 -8.149 1.00 0.00 H new ATOM 2024 N TYR B 130 18.920 10.289 -2.331 1.00 0.00 N ATOM 2025 CA TYR B 130 18.136 11.100 -1.391 1.00 0.00 C ATOM 2026 C TYR B 130 18.910 12.374 -1.151 1.00 0.00 C ATOM 2027 O TYR B 130 18.431 13.471 -1.349 1.00 0.00 O ATOM 2028 CB TYR B 130 18.034 10.349 -0.074 1.00 0.00 C ATOM 2029 CG TYR B 130 17.482 11.264 0.989 1.00 0.00 C ATOM 2030 CD1 TYR B 130 16.478 12.182 0.668 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.975 11.195 2.298 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.971 13.026 1.647 1.00 0.00 C ATOM 2033 CE2 TYR B 130 17.462 12.043 3.281 1.00 0.00 C ATOM 2034 CZ TYR B 130 16.458 12.962 2.957 1.00 0.00 C ATOM 2035 OH TYR B 130 15.950 13.802 3.928 1.00 0.00 O ATOM 0 H TYR B 130 19.097 9.328 -2.038 1.00 0.00 H new ATOM 0 HA TYR B 130 17.140 11.306 -1.783 1.00 0.00 H new ATOM 0 HB2 TYR B 130 17.389 9.478 -0.189 1.00 0.00 H new ATOM 0 HB3 TYR B 130 19.016 9.981 0.223 1.00 0.00 H new ATOM 0 HD1 TYR B 130 16.097 12.235 -0.341 1.00 0.00 H new ATOM 0 HD2 TYR B 130 18.751 10.486 2.547 1.00 0.00 H new ATOM 0 HE1 TYR B 130 15.197 13.736 1.396 1.00 0.00 H new ATOM 0 HE2 TYR B 130 17.840 11.990 4.291 1.00 0.00 H new ATOM 0 HH TYR B 130 16.640 14.442 4.200 1.00 0.00 H new ATOM 2045 N ASN B 131 20.115 12.209 -0.716 1.00 0.00 N ATOM 2046 CA ASN B 131 20.959 13.383 -0.448 1.00 0.00 C ATOM 2047 C ASN B 131 21.221 14.118 -1.755 1.00 0.00 C ATOM 2048 O ASN B 131 21.108 15.326 -1.828 1.00 0.00 O ATOM 2049 CB ASN B 131 22.283 12.943 0.178 1.00 0.00 C ATOM 2050 CG ASN B 131 22.073 12.628 1.660 1.00 0.00 C ATOM 2051 OD1 ASN B 131 22.107 13.513 2.492 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.852 11.395 2.028 1.00 0.00 N ATOM 0 H ASN B 131 20.552 11.306 -0.534 1.00 0.00 H new ATOM 0 HA ASN B 131 20.448 14.048 0.248 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.667 12.064 -0.340 1.00 0.00 H new ATOM 0 HB3 ASN B 131 23.029 13.730 0.066 1.00 0.00 H new ATOM 0 HD21 ASN B 131 21.708 11.175 3.014 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.823 10.652 1.330 1.00 0.00 H new ATOM 2059 N GLN B 132 21.543 13.409 -2.805 1.00 0.00 N ATOM 2060 CA GLN B 132 21.770 14.112 -4.099 1.00 0.00 C ATOM 2061 C GLN B 132 20.526 14.935 -4.376 1.00 0.00 C ATOM 2062 O GLN B 132 20.574 16.023 -4.916 1.00 0.00 O ATOM 2063 CB GLN B 132 21.981 13.103 -5.234 1.00 0.00 C ATOM 2064 CG GLN B 132 22.689 13.789 -6.406 1.00 0.00 C ATOM 2065 CD GLN B 132 24.169 13.978 -6.073 1.00 0.00 C ATOM 2066 OE1 GLN B 132 24.576 13.811 -4.938 1.00 0.00 O ATOM 2067 NE2 GLN B 132 24.999 14.318 -7.019 1.00 0.00 N ATOM 0 H GLN B 132 21.656 12.396 -2.824 1.00 0.00 H new ATOM 0 HA GLN B 132 22.660 14.738 -4.041 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.575 12.261 -4.880 1.00 0.00 H new ATOM 0 HB3 GLN B 132 21.022 12.701 -5.560 1.00 0.00 H new ATOM 0 HG2 GLN B 132 22.583 13.188 -7.309 1.00 0.00 H new ATOM 0 HG3 GLN B 132 22.226 14.754 -6.609 1.00 0.00 H new ATOM 0 HE21 GLN B 132 24.658 14.458 -7.970 1.00 0.00 H new ATOM 0 HE22 GLN B 132 25.989 14.444 -6.808 1.00 0.00 H new ATOM 2076 N LEU B 133 19.404 14.411 -3.978 1.00 0.00 N ATOM 2077 CA LEU B 133 18.118 15.127 -4.169 1.00 0.00 C ATOM 2078 C LEU B 133 17.975 16.205 -3.093 1.00 0.00 C ATOM 2079 O LEU B 133 17.427 17.263 -3.330 1.00 0.00 O ATOM 2080 CB LEU B 133 16.961 14.124 -4.034 1.00 0.00 C ATOM 2081 CG LEU B 133 16.582 13.549 -5.408 1.00 0.00 C ATOM 2082 CD1 LEU B 133 17.367 12.265 -5.688 1.00 0.00 C ATOM 2083 CD2 LEU B 133 15.092 13.224 -5.418 1.00 0.00 C ATOM 0 H LEU B 133 19.323 13.503 -3.521 1.00 0.00 H new ATOM 0 HA LEU B 133 18.096 15.589 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU B 133 17.250 13.316 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU B 133 16.096 14.616 -3.588 1.00 0.00 H new ATOM 0 HG LEU B 133 16.819 14.287 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU B 133 17.086 11.872 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU B 133 18.435 12.482 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU B 133 17.140 11.525 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU B 133 14.815 12.815 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU B 133 14.874 12.491 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU B 133 14.520 14.133 -5.230 1.00 0.00 H new ATOM 2095 N PHE B 134 18.450 15.938 -1.911 1.00 0.00 N ATOM 2096 CA PHE B 134 18.328 16.941 -0.815 1.00 0.00 C ATOM 2097 C PHE B 134 19.374 16.666 0.265 1.00 0.00 C ATOM 2098 O PHE B 134 20.419 17.288 0.313 1.00 0.00 O ATOM 2099 CB PHE B 134 16.927 16.838 -0.200 1.00 0.00 C ATOM 2100 CG PHE B 134 15.967 17.700 -0.978 1.00 0.00 C ATOM 2101 CD1 PHE B 134 15.857 19.067 -0.690 1.00 0.00 C ATOM 2102 CD2 PHE B 134 15.193 17.135 -1.994 1.00 0.00 C ATOM 2103 CE1 PHE B 134 14.968 19.867 -1.417 1.00 0.00 C ATOM 2104 CE2 PHE B 134 14.301 17.935 -2.723 1.00 0.00 C ATOM 2105 CZ PHE B 134 14.191 19.300 -2.434 1.00 0.00 C ATOM 0 H PHE B 134 18.918 15.069 -1.654 1.00 0.00 H new ATOM 0 HA PHE B 134 18.488 17.940 -1.220 1.00 0.00 H new ATOM 0 HB2 PHE B 134 16.590 15.801 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.953 17.155 0.843 1.00 0.00 H new ATOM 0 HD1 PHE B 134 16.459 19.504 0.094 1.00 0.00 H new ATOM 0 HD2 PHE B 134 15.281 16.082 -2.218 1.00 0.00 H new ATOM 0 HE1 PHE B 134 14.882 20.920 -1.194 1.00 0.00 H new ATOM 0 HE2 PHE B 134 13.700 17.498 -3.507 1.00 0.00 H new ATOM 0 HZ PHE B 134 13.506 19.917 -2.996 1.00 0.00 H new ATOM 2115 N GLY B 135 19.092 15.745 1.137 1.00 0.00 N ATOM 2116 CA GLY B 135 20.053 15.422 2.230 1.00 0.00 C ATOM 2117 C GLY B 135 19.798 16.343 3.424 1.00 0.00 C ATOM 2118 O GLY B 135 20.702 16.690 4.158 1.00 0.00 O ATOM 0 H GLY B 135 18.232 15.196 1.143 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.941 14.380 2.531 1.00 0.00 H new ATOM 0 HA3 GLY B 135 21.077 15.543 1.876 1.00 0.00 H new ATOM 2122 N ASP B 136 18.572 16.740 3.622 1.00 0.00 N ATOM 2123 CA ASP B 136 18.254 17.639 4.766 1.00 0.00 C ATOM 2124 C ASP B 136 19.246 18.807 4.792 1.00 0.00 C ATOM 2125 O ASP B 136 19.852 19.096 5.802 1.00 0.00 O ATOM 2126 CB ASP B 136 18.359 16.855 6.076 1.00 0.00 C ATOM 2127 CG ASP B 136 17.165 15.907 6.199 1.00 0.00 C ATOM 2128 OD1 ASP B 136 16.469 15.729 5.211 1.00 0.00 O ATOM 2129 OD2 ASP B 136 16.964 15.377 7.280 1.00 0.00 O ATOM 0 H ASP B 136 17.776 16.480 3.040 1.00 0.00 H new ATOM 0 HA ASP B 136 17.241 18.025 4.652 1.00 0.00 H new ATOM 0 HB2 ASP B 136 19.290 16.289 6.100 1.00 0.00 H new ATOM 0 HB3 ASP B 136 18.381 17.541 6.922 1.00 0.00 H new ATOM 2134 N VAL B 137 19.413 19.477 3.685 1.00 0.00 N ATOM 2135 CA VAL B 137 20.364 20.625 3.646 1.00 0.00 C ATOM 2136 C VAL B 137 20.060 21.497 2.426 1.00 0.00 C ATOM 2137 O VAL B 137 20.477 21.282 2.362 1.00 0.00 O ATOM 2138 CB VAL B 137 21.796 20.096 3.551 1.00 0.00 C ATOM 2139 CG1 VAL B 137 21.983 19.365 2.222 1.00 0.00 C ATOM 2140 CG2 VAL B 137 22.777 21.269 3.629 1.00 0.00 C ATOM 0 H VAL B 137 18.933 19.280 2.807 1.00 0.00 H new ATOM 0 HA VAL B 137 20.255 21.219 4.553 1.00 0.00 H new ATOM 0 HB VAL B 137 21.984 19.407 4.374 1.00 0.00 H new ATOM 0 HG11 VAL B 137 23.004 18.988 2.154 1.00 0.00 H new ATOM 0 HG12 VAL B 137 21.284 18.531 2.164 1.00 0.00 H new ATOM 0 HG13 VAL B 137 21.795 20.054 1.398 1.00 0.00 H new ATOM 0 HG21 VAL B 137 23.798 20.894 3.562 1.00 0.00 H new ATOM 0 HG22 VAL B 137 22.588 21.957 2.805 1.00 0.00 H new ATOM 0 HG23 VAL B 137 22.644 21.792 4.576 1.00 0.00 H new TER 2150 VAL B 137 HETATM 2151 ZN ZN B 138 5.630 -5.771 -4.940 1.00 0.00 ZN HETATM 2152 ZN ZN B 139 18.730 5.540 -5.466 1.00 0.00 ZN