USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.294 X(o=-0.29,f=0.059) USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -0.0677 F(o=-0.35,f=0.97) USER MOD Set 2.2: A 70 TYR OH : rot 152:sc= 1.04 USER MOD Set 3.1: A 55 GLN : amide:sc= -0.544 X(o=-0.97,f=-0.74) USER MOD Set 3.2: A 79 HIS : no HD1:sc= -0.424 X(o=-0.97,f=-0.58) USER MOD Set 4.1: A 20 ASN : amide:sc= -0.531 X(o=-4,f=-3.7) USER MOD Set 4.2: A 22 GLN : amide:sc= -3.48! C(o=-4!,f=-7.7!) USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= -0.209 (180deg=-0.212) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.0923 F(o=-0.76,f=-0.092) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.95! C(o=-4!,f=-2.9!) USER MOD Single : A 11 MET CE :methyl -130:sc= -1.05 (180deg=-3.78!) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0116 F(o=-2.6!,f=-0.012) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -172:sc= 1.86 USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= -0.91 (180deg=-4.06!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.635 F(o=-1.9!,f=-0.64) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -141:sc= 1.1 (180deg=0.187) USER MOD Single : A 40 LYS NZ :NH3+ 174:sc=-0.00553 (180deg=-0.0781) USER MOD Single : A 42 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-0.94) USER MOD Single : A 45 THR OG1 : rot -61:sc= -1.04! USER MOD Single : A 47 MET CE :methyl 141:sc= -1.06 (180deg=-3.43!) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 1.17 (180deg=1.04) USER MOD Single : A 52 GLN : amide:sc= -2.18 K(o=-2.2,f=-5.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00566 USER MOD Single : A 62 LYS NZ :NH3+ 168:sc= -0.002 (180deg=-0.0923) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0567 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.047) USER MOD Single : A 72 MET CE :methyl 160:sc= -0.563 (180deg=-1.23) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.927 -1.135 -0.626 1.00 0.00 N ATOM 2 CA PRO A 1 1.859 -0.946 -1.756 1.00 0.00 C ATOM 3 C PRO A 1 1.908 -2.213 -2.601 1.00 0.00 C ATOM 4 O PRO A 1 1.097 -3.119 -2.406 1.00 0.00 O ATOM 5 CB PRO A 1 3.236 -0.607 -1.202 1.00 0.00 C ATOM 6 CG PRO A 1 3.093 -0.843 0.257 1.00 0.00 C ATOM 7 CD PRO A 1 1.630 -0.634 0.568 1.00 0.00 C ATOM 0 H2 PRO A 1 0.679 -2.118 -0.518 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.058 -0.623 -0.780 1.00 0.00 H new ATOM 0 HA PRO A 1 1.520 -0.129 -2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.010 -1.240 -1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.511 0.426 -1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.409 -1.852 0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.716 -0.154 0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.332 -1.180 1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.408 0.418 0.748 1.00 0.00 H new ATOM 17 N VAL A 2 2.846 -2.281 -3.537 1.00 0.00 N ATOM 18 CA VAL A 2 2.960 -3.447 -4.400 1.00 0.00 C ATOM 19 C VAL A 2 4.385 -3.968 -4.415 1.00 0.00 C ATOM 20 O VAL A 2 5.335 -3.228 -4.153 1.00 0.00 O ATOM 21 CB VAL A 2 2.513 -3.164 -5.853 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.087 -2.643 -5.887 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.457 -2.194 -6.545 1.00 0.00 C ATOM 0 H VAL A 2 3.533 -1.549 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 2 2.290 -4.198 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 2 2.547 -4.107 -6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.794 -2.451 -6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.418 -3.386 -5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.024 -1.718 -5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.114 -2.017 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.474 -1.251 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.461 -2.618 -6.569 1.00 0.00 H new ATOM 33 N SER A 3 4.528 -5.243 -4.720 1.00 0.00 N ATOM 34 CA SER A 3 5.830 -5.865 -4.765 1.00 0.00 C ATOM 35 C SER A 3 6.465 -5.641 -6.127 1.00 0.00 C ATOM 36 O SER A 3 5.889 -5.992 -7.158 1.00 0.00 O ATOM 37 CB SER A 3 5.715 -7.361 -4.471 1.00 0.00 C ATOM 38 OG SER A 3 4.985 -7.592 -3.275 1.00 0.00 O ATOM 0 H SER A 3 3.753 -5.868 -4.941 1.00 0.00 H new ATOM 0 HA SER A 3 6.463 -5.412 -4.003 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.222 -7.862 -5.304 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.711 -7.795 -4.383 1.00 0.00 H new ATOM 0 HG SER A 3 4.924 -8.556 -3.110 1.00 0.00 H new ATOM 44 N ILE A 4 7.634 -5.041 -6.126 1.00 0.00 N ATOM 45 CA ILE A 4 8.366 -4.785 -7.352 1.00 0.00 C ATOM 46 C ILE A 4 9.749 -5.403 -7.272 1.00 0.00 C ATOM 47 O ILE A 4 10.365 -5.439 -6.211 1.00 0.00 O ATOM 48 CB ILE A 4 8.490 -3.279 -7.643 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.844 -2.515 -6.373 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.203 -2.741 -8.247 1.00 0.00 C ATOM 51 CD1 ILE A 4 9.061 -1.037 -6.600 1.00 0.00 C ATOM 0 H ILE A 4 8.105 -4.717 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 4 7.804 -5.240 -8.168 1.00 0.00 H new ATOM 0 HB ILE A 4 9.293 -3.136 -8.366 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.046 -2.649 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.747 -2.945 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.312 -1.675 -8.445 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.993 -3.264 -9.180 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.380 -2.898 -7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.309 -0.556 -5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.879 -0.894 -7.306 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.151 -0.594 -7.004 1.00 0.00 H new ATOM 63 N LYS A 5 10.232 -5.903 -8.384 1.00 0.00 N ATOM 64 CA LYS A 5 11.496 -6.601 -8.398 1.00 0.00 C ATOM 65 C LYS A 5 12.436 -6.006 -9.418 1.00 0.00 C ATOM 66 O LYS A 5 12.010 -5.465 -10.433 1.00 0.00 O ATOM 67 CB LYS A 5 11.279 -8.075 -8.707 1.00 0.00 C ATOM 68 CG LYS A 5 10.433 -8.790 -7.672 1.00 0.00 C ATOM 69 CD LYS A 5 9.967 -10.137 -8.182 1.00 0.00 C ATOM 70 CE LYS A 5 8.572 -10.060 -8.781 1.00 0.00 C ATOM 71 NZ LYS A 5 8.067 -11.408 -9.158 1.00 0.00 N ATOM 0 H LYS A 5 9.769 -5.840 -9.291 1.00 0.00 H new ATOM 0 HA LYS A 5 11.945 -6.497 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.801 -8.167 -9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.248 -8.570 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.010 -8.924 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.569 -8.176 -7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.666 -10.503 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.972 -10.857 -7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.891 -9.603 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.587 -9.417 -9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.135 -11.316 -9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.731 -11.854 -9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.982 -11.998 -8.306 1.00 0.00 H new ATOM 85 N VAL A 6 13.713 -6.126 -9.136 1.00 0.00 N ATOM 86 CA VAL A 6 14.750 -5.660 -10.033 1.00 0.00 C ATOM 87 C VAL A 6 15.744 -6.786 -10.274 1.00 0.00 C ATOM 88 O VAL A 6 16.532 -7.136 -9.392 1.00 0.00 O ATOM 89 CB VAL A 6 15.495 -4.425 -9.477 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.530 -3.934 -10.476 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.519 -3.310 -9.132 1.00 0.00 C ATOM 0 H VAL A 6 14.064 -6.550 -8.277 1.00 0.00 H new ATOM 0 HA VAL A 6 14.273 -5.361 -10.966 1.00 0.00 H new ATOM 0 HB VAL A 6 16.007 -4.722 -8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.045 -3.064 -10.068 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.253 -4.726 -10.670 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.035 -3.659 -11.407 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.069 -2.453 -8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.973 -3.015 -10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.816 -3.663 -8.378 1.00 0.00 H new ATOM 101 N GLN A 7 15.671 -7.376 -11.452 1.00 0.00 N ATOM 102 CA GLN A 7 16.566 -8.455 -11.815 1.00 0.00 C ATOM 103 C GLN A 7 17.960 -7.897 -12.046 1.00 0.00 C ATOM 104 O GLN A 7 18.223 -7.254 -13.057 1.00 0.00 O ATOM 105 CB GLN A 7 16.062 -9.181 -13.068 1.00 0.00 C ATOM 106 CG GLN A 7 16.306 -10.681 -13.041 1.00 0.00 C ATOM 107 CD GLN A 7 17.775 -11.031 -13.086 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.416 -10.927 -11.943 1.00 0.00 O flip ATOM 109 NE2 GLN A 7 18.332 -11.318 -14.143 1.00 0.00 N flip ATOM 0 H GLN A 7 14.998 -7.124 -12.176 1.00 0.00 H new ATOM 0 HA GLN A 7 16.599 -9.179 -11.001 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.993 -8.997 -13.179 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.551 -8.757 -13.945 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.864 -11.101 -12.138 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.800 -11.143 -13.889 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.789 -11.386 -15.004 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.338 -11.488 -14.160 1.00 0.00 H new ATOM 118 N VAL A 8 18.832 -8.125 -11.085 1.00 0.00 N ATOM 119 CA VAL A 8 20.197 -7.658 -11.167 1.00 0.00 C ATOM 120 C VAL A 8 21.014 -8.543 -12.108 1.00 0.00 C ATOM 121 O VAL A 8 21.022 -9.766 -11.969 1.00 0.00 O ATOM 122 CB VAL A 8 20.844 -7.634 -9.766 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.338 -7.400 -9.853 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.185 -6.576 -8.896 1.00 0.00 C ATOM 0 H VAL A 8 18.614 -8.637 -10.230 1.00 0.00 H new ATOM 0 HA VAL A 8 20.187 -6.644 -11.566 1.00 0.00 H new ATOM 0 HB VAL A 8 20.688 -8.610 -9.307 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.764 -7.389 -8.850 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.798 -8.200 -10.433 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.529 -6.443 -10.339 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.653 -6.572 -7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.306 -5.597 -9.359 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.123 -6.800 -8.793 1.00 0.00 H new ATOM 134 N PRO A 9 21.710 -7.934 -13.078 1.00 0.00 N ATOM 135 CA PRO A 9 22.522 -8.671 -14.043 1.00 0.00 C ATOM 136 C PRO A 9 23.673 -9.415 -13.373 1.00 0.00 C ATOM 137 O PRO A 9 24.199 -8.984 -12.338 1.00 0.00 O ATOM 138 CB PRO A 9 23.049 -7.582 -14.988 1.00 0.00 C ATOM 139 CG PRO A 9 22.950 -6.317 -14.213 1.00 0.00 C ATOM 140 CD PRO A 9 21.763 -6.480 -13.309 1.00 0.00 C ATOM 0 HA PRO A 9 21.947 -9.441 -14.557 1.00 0.00 H new ATOM 0 HB2 PRO A 9 24.078 -7.783 -15.286 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.457 -7.532 -15.902 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.858 -6.140 -13.637 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.821 -5.462 -14.876 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.889 -5.929 -12.377 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.849 -6.113 -13.775 1.00 0.00 H new ATOM 148 N ASN A 10 24.050 -10.540 -13.954 1.00 0.00 N ATOM 149 CA ASN A 10 25.125 -11.360 -13.418 1.00 0.00 C ATOM 150 C ASN A 10 26.473 -10.732 -13.720 1.00 0.00 C ATOM 151 O ASN A 10 27.026 -10.926 -14.801 1.00 0.00 O ATOM 152 CB ASN A 10 25.073 -12.780 -14.002 1.00 0.00 C ATOM 153 CG ASN A 10 23.870 -13.575 -13.532 1.00 0.00 C ATOM 154 OD1 ASN A 10 24.040 -14.322 -12.452 1.00 0.00 O flip ATOM 155 ND2 ASN A 10 22.799 -13.523 -14.137 1.00 0.00 N flip ATOM 0 H ASN A 10 23.624 -10.910 -14.804 1.00 0.00 H new ATOM 0 HA ASN A 10 24.994 -11.421 -12.338 1.00 0.00 H new ATOM 0 HB2 ASN A 10 25.057 -12.718 -15.090 1.00 0.00 H new ATOM 0 HB3 ASN A 10 25.983 -13.313 -13.726 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.709 -12.935 -14.965 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.001 -14.068 -13.810 1.00 0.00 H new ATOM 162 N MET A 11 26.988 -9.947 -12.782 1.00 0.00 N ATOM 163 CA MET A 11 28.314 -9.368 -12.935 1.00 0.00 C ATOM 164 C MET A 11 29.026 -9.311 -11.594 1.00 0.00 C ATOM 165 O MET A 11 29.234 -8.235 -11.041 1.00 0.00 O ATOM 166 CB MET A 11 28.212 -7.960 -13.545 1.00 0.00 C ATOM 167 CG MET A 11 28.132 -7.965 -15.070 1.00 0.00 C ATOM 168 SD MET A 11 28.522 -6.367 -15.813 1.00 0.00 S ATOM 169 CE MET A 11 27.147 -5.378 -15.242 1.00 0.00 C ATOM 0 H MET A 11 26.512 -9.699 -11.915 1.00 0.00 H new ATOM 0 HA MET A 11 28.894 -10.000 -13.608 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.330 -7.461 -13.144 1.00 0.00 H new ATOM 0 HB3 MET A 11 29.078 -7.374 -13.236 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.819 -8.716 -15.460 1.00 0.00 H new ATOM 0 HG3 MET A 11 27.128 -8.263 -15.373 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.702 -4.851 -16.086 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.399 -6.025 -14.783 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.500 -4.654 -14.508 1.00 0.00 H new ATOM 179 N GLN A 12 29.470 -10.473 -11.115 1.00 0.00 N ATOM 180 CA GLN A 12 30.008 -10.582 -9.762 1.00 0.00 C ATOM 181 C GLN A 12 31.431 -10.064 -9.725 1.00 0.00 C ATOM 182 O GLN A 12 31.815 -9.294 -8.843 1.00 0.00 O ATOM 183 CB GLN A 12 29.989 -12.042 -9.272 1.00 0.00 C ATOM 184 CG GLN A 12 28.673 -12.782 -9.497 1.00 0.00 C ATOM 185 CD GLN A 12 28.627 -13.526 -10.820 1.00 0.00 C ATOM 186 OE1 GLN A 12 28.108 -12.883 -11.854 1.00 0.00 O flip ATOM 187 NE2 GLN A 12 29.035 -14.680 -10.907 1.00 0.00 N flip ATOM 0 H GLN A 12 29.467 -11.347 -11.641 1.00 0.00 H new ATOM 0 HA GLN A 12 29.378 -9.983 -9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 12 30.786 -12.589 -9.776 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.218 -12.055 -8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 12 28.517 -13.490 -8.683 1.00 0.00 H new ATOM 0 HG3 GLN A 12 27.850 -12.068 -9.460 1.00 0.00 H new ATOM 0 HE21 GLN A 12 29.429 -15.145 -10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.980 -15.175 -11.797 1.00 0.00 H new ATOM 196 N ASP A 13 32.203 -10.486 -10.707 1.00 0.00 N ATOM 197 CA ASP A 13 33.595 -10.095 -10.819 1.00 0.00 C ATOM 198 C ASP A 13 33.824 -9.378 -12.139 1.00 0.00 C ATOM 199 O ASP A 13 34.957 -9.229 -12.590 1.00 0.00 O ATOM 200 CB ASP A 13 34.495 -11.328 -10.735 1.00 0.00 C ATOM 201 CG ASP A 13 34.326 -12.095 -9.439 1.00 0.00 C ATOM 202 OD1 ASP A 13 34.963 -11.721 -8.435 1.00 0.00 O ATOM 203 OD2 ASP A 13 33.561 -13.081 -9.420 1.00 0.00 O ATOM 0 H ASP A 13 31.884 -11.109 -11.449 1.00 0.00 H new ATOM 0 HA ASP A 13 33.841 -9.421 -9.998 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.276 -11.989 -11.574 1.00 0.00 H new ATOM 0 HB3 ASP A 13 35.536 -11.019 -10.836 1.00 0.00 H new ATOM 208 N LYS A 14 32.732 -8.938 -12.756 1.00 0.00 N ATOM 209 CA LYS A 14 32.797 -8.348 -14.093 1.00 0.00 C ATOM 210 C LYS A 14 32.746 -6.835 -14.014 1.00 0.00 C ATOM 211 O LYS A 14 32.889 -6.144 -15.025 1.00 0.00 O ATOM 212 CB LYS A 14 31.633 -8.835 -14.966 1.00 0.00 C ATOM 213 CG LYS A 14 31.266 -10.291 -14.758 1.00 0.00 C ATOM 214 CD LYS A 14 32.448 -11.206 -15.014 1.00 0.00 C ATOM 215 CE LYS A 14 32.218 -12.582 -14.424 1.00 0.00 C ATOM 216 NZ LYS A 14 33.375 -13.487 -14.657 1.00 0.00 N ATOM 0 H LYS A 14 31.795 -8.977 -12.356 1.00 0.00 H new ATOM 0 HA LYS A 14 33.740 -8.661 -14.541 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.758 -8.219 -14.761 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.892 -8.683 -16.014 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.908 -10.435 -13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.446 -10.559 -15.425 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.618 -11.292 -16.087 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.349 -10.769 -14.583 1.00 0.00 H new ATOM 0 HE2 LYS A 14 32.038 -12.492 -13.353 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.321 -13.019 -14.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 33.177 -14.418 -14.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 33.532 -13.594 -15.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 34.226 -13.083 -14.217 1.00 0.00 H new ATOM 230 N THR A 15 32.529 -6.323 -12.815 1.00 0.00 N ATOM 231 CA THR A 15 32.333 -4.894 -12.642 1.00 0.00 C ATOM 232 C THR A 15 32.573 -4.448 -11.193 1.00 0.00 C ATOM 233 O THR A 15 32.942 -5.249 -10.328 1.00 0.00 O ATOM 234 CB THR A 15 30.911 -4.488 -13.093 1.00 0.00 C ATOM 235 OG1 THR A 15 30.787 -3.062 -13.115 1.00 0.00 O ATOM 236 CG2 THR A 15 29.850 -5.088 -12.177 1.00 0.00 C ATOM 0 H THR A 15 32.484 -6.869 -11.955 1.00 0.00 H new ATOM 0 HA THR A 15 33.070 -4.389 -13.267 1.00 0.00 H new ATOM 0 HB THR A 15 30.754 -4.878 -14.099 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.852 -2.817 -13.275 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.860 -4.785 -12.519 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.924 -6.175 -12.198 1.00 0.00 H new ATOM 0 HG23 THR A 15 30.006 -4.733 -11.158 1.00 0.00 H new ATOM 244 N GLU A 16 32.329 -3.165 -10.951 1.00 0.00 N ATOM 245 CA GLU A 16 32.637 -2.517 -9.684 1.00 0.00 C ATOM 246 C GLU A 16 31.402 -2.429 -8.787 1.00 0.00 C ATOM 247 O GLU A 16 31.483 -1.980 -7.644 1.00 0.00 O ATOM 248 CB GLU A 16 33.174 -1.112 -9.969 1.00 0.00 C ATOM 249 CG GLU A 16 32.232 -0.284 -10.837 1.00 0.00 C ATOM 250 CD GLU A 16 32.826 1.038 -11.273 1.00 0.00 C ATOM 251 OE1 GLU A 16 32.692 2.032 -10.528 1.00 0.00 O ATOM 252 OE2 GLU A 16 33.428 1.093 -12.367 1.00 0.00 O ATOM 0 H GLU A 16 31.907 -2.540 -11.637 1.00 0.00 H new ATOM 0 HA GLU A 16 33.385 -3.110 -9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.341 -0.593 -9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.142 -1.191 -10.464 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.961 -0.862 -11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.311 -0.096 -10.285 1.00 0.00 H new ATOM 259 N TRP A 17 30.266 -2.862 -9.313 1.00 0.00 N ATOM 260 CA TRP A 17 28.994 -2.757 -8.601 1.00 0.00 C ATOM 261 C TRP A 17 28.673 -4.053 -7.869 1.00 0.00 C ATOM 262 O TRP A 17 29.331 -5.074 -8.077 1.00 0.00 O ATOM 263 CB TRP A 17 27.868 -2.422 -9.575 1.00 0.00 C ATOM 264 CG TRP A 17 28.219 -1.290 -10.476 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.630 -0.047 -10.101 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.195 -1.296 -11.904 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.881 0.718 -11.209 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.615 -0.027 -12.331 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.859 -2.255 -12.861 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.713 0.305 -13.678 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.953 -1.923 -14.198 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.375 -0.653 -14.596 1.00 0.00 C ATOM 0 H TRP A 17 30.196 -3.292 -10.235 1.00 0.00 H new ATOM 0 HA TRP A 17 29.083 -1.956 -7.867 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.635 -3.302 -10.175 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.968 -2.171 -9.014 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.742 0.287 -9.080 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.211 1.683 -11.202 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.531 -3.239 -12.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 29.044 1.285 -13.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.696 -2.657 -14.947 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.436 -0.422 -15.649 1.00 0.00 H new ATOM 283 N LYS A 18 27.652 -4.008 -7.024 1.00 0.00 N ATOM 284 CA LYS A 18 27.228 -5.172 -6.254 1.00 0.00 C ATOM 285 C LYS A 18 26.325 -6.095 -7.079 1.00 0.00 C ATOM 286 O LYS A 18 25.527 -6.858 -6.535 1.00 0.00 O ATOM 287 CB LYS A 18 26.497 -4.722 -4.983 1.00 0.00 C ATOM 288 CG LYS A 18 25.123 -4.121 -5.235 1.00 0.00 C ATOM 289 CD LYS A 18 24.038 -5.074 -4.770 1.00 0.00 C ATOM 290 CE LYS A 18 22.869 -5.123 -5.735 1.00 0.00 C ATOM 291 NZ LYS A 18 21.981 -3.940 -5.566 1.00 0.00 N ATOM 0 H LYS A 18 27.097 -3.170 -6.853 1.00 0.00 H new ATOM 0 HA LYS A 18 28.120 -5.735 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.390 -5.578 -4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.113 -3.988 -4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.032 -3.171 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.000 -3.910 -6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.458 -6.074 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.683 -4.766 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.241 -5.159 -6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.297 -6.036 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.612 -3.648 -6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.188 -4.188 -4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.522 -3.157 -5.146 1.00 0.00 H new ATOM 305 N LEU A 19 26.451 -6.045 -8.389 1.00 0.00 N ATOM 306 CA LEU A 19 25.637 -6.881 -9.241 1.00 0.00 C ATOM 307 C LEU A 19 26.180 -8.304 -9.187 1.00 0.00 C ATOM 308 O LEU A 19 27.377 -8.501 -9.300 1.00 0.00 O ATOM 309 CB LEU A 19 25.672 -6.369 -10.684 1.00 0.00 C ATOM 310 CG LEU A 19 25.464 -4.865 -10.844 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.371 -4.492 -12.309 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.222 -4.422 -10.111 1.00 0.00 C ATOM 0 H LEU A 19 27.105 -5.438 -8.883 1.00 0.00 H new ATOM 0 HA LEU A 19 24.604 -6.858 -8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.633 -6.636 -11.124 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.904 -6.889 -11.256 1.00 0.00 H new ATOM 0 HG LEU A 19 26.324 -4.354 -10.411 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.223 -3.416 -12.402 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.293 -4.776 -12.816 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.530 -5.015 -12.765 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.090 -3.347 -10.236 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.355 -4.944 -10.516 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.323 -4.654 -9.051 1.00 0.00 H new ATOM 324 N ASN A 20 25.329 -9.294 -8.976 1.00 0.00 N ATOM 325 CA ASN A 20 25.812 -10.674 -8.898 1.00 0.00 C ATOM 326 C ASN A 20 24.837 -11.634 -9.546 1.00 0.00 C ATOM 327 O ASN A 20 24.949 -12.843 -9.376 1.00 0.00 O ATOM 328 CB ASN A 20 26.052 -11.096 -7.441 1.00 0.00 C ATOM 329 CG ASN A 20 27.188 -10.343 -6.783 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.319 -10.823 -6.711 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.891 -9.143 -6.321 1.00 0.00 N ATOM 0 H ASN A 20 24.322 -9.180 -8.857 1.00 0.00 H new ATOM 0 HA ASN A 20 26.758 -10.713 -9.439 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.139 -10.937 -6.868 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.266 -12.164 -7.409 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.614 -8.572 -5.882 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.939 -8.786 -6.403 1.00 0.00 H new ATOM 338 N GLY A 21 23.902 -11.100 -10.312 1.00 0.00 N ATOM 339 CA GLY A 21 22.890 -11.935 -10.919 1.00 0.00 C ATOM 340 C GLY A 21 21.718 -12.201 -10.005 1.00 0.00 C ATOM 341 O GLY A 21 20.783 -12.905 -10.382 1.00 0.00 O ATOM 0 H GLY A 21 23.825 -10.105 -10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.531 -11.457 -11.831 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.338 -12.885 -11.212 1.00 0.00 H new ATOM 345 N GLN A 22 21.759 -11.651 -8.797 1.00 0.00 N ATOM 346 CA GLN A 22 20.656 -11.824 -7.869 1.00 0.00 C ATOM 347 C GLN A 22 19.469 -10.975 -8.304 1.00 0.00 C ATOM 348 O GLN A 22 19.558 -10.197 -9.249 1.00 0.00 O ATOM 349 CB GLN A 22 21.055 -11.475 -6.428 1.00 0.00 C ATOM 350 CG GLN A 22 21.350 -10.001 -6.193 1.00 0.00 C ATOM 351 CD GLN A 22 22.833 -9.692 -6.163 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.644 -10.526 -5.782 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.193 -8.485 -6.563 1.00 0.00 N ATOM 0 H GLN A 22 22.534 -11.090 -8.444 1.00 0.00 H new ATOM 0 HA GLN A 22 20.376 -12.877 -7.885 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.252 -11.783 -5.758 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.937 -12.056 -6.158 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.877 -9.412 -6.979 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.901 -9.692 -5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.486 -7.819 -6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.178 -8.220 -6.561 1.00 0.00 H new ATOM 362 N VAL A 23 18.368 -11.122 -7.610 1.00 0.00 N ATOM 363 CA VAL A 23 17.169 -10.386 -7.933 1.00 0.00 C ATOM 364 C VAL A 23 16.684 -9.628 -6.708 1.00 0.00 C ATOM 365 O VAL A 23 16.538 -10.195 -5.624 1.00 0.00 O ATOM 366 CB VAL A 23 16.056 -11.313 -8.482 1.00 0.00 C ATOM 367 CG1 VAL A 23 15.707 -12.414 -7.489 1.00 0.00 C ATOM 368 CG2 VAL A 23 14.819 -10.507 -8.862 1.00 0.00 C ATOM 0 H VAL A 23 18.276 -11.750 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 23 17.411 -9.674 -8.722 1.00 0.00 H new ATOM 0 HB VAL A 23 16.439 -11.794 -9.382 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.923 -13.046 -7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 23 16.592 -13.018 -7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.356 -11.967 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.051 -11.179 -9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.440 -9.986 -7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 23 15.081 -9.779 -9.630 1.00 0.00 H new ATOM 378 N LEU A 24 16.483 -8.335 -6.872 1.00 0.00 N ATOM 379 CA LEU A 24 16.041 -7.502 -5.774 1.00 0.00 C ATOM 380 C LEU A 24 14.529 -7.508 -5.702 1.00 0.00 C ATOM 381 O LEU A 24 13.853 -7.422 -6.725 1.00 0.00 O ATOM 382 CB LEU A 24 16.549 -6.070 -5.936 1.00 0.00 C ATOM 383 CG LEU A 24 18.063 -5.934 -6.122 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.457 -4.472 -6.264 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.802 -6.581 -4.958 1.00 0.00 C ATOM 0 H LEU A 24 16.619 -7.841 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 24 16.450 -7.907 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.051 -5.620 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.253 -5.495 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 24 18.346 -6.452 -7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.536 -4.397 -6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 24 17.955 -4.043 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.162 -3.927 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.877 -6.476 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.514 -6.092 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.545 -7.639 -4.907 1.00 0.00 H new ATOM 397 N VAL A 25 14.007 -7.615 -4.500 1.00 0.00 N ATOM 398 CA VAL A 25 12.576 -7.613 -4.290 1.00 0.00 C ATOM 399 C VAL A 25 12.227 -6.507 -3.316 1.00 0.00 C ATOM 400 O VAL A 25 12.507 -6.601 -2.123 1.00 0.00 O ATOM 401 CB VAL A 25 12.051 -8.965 -3.752 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.533 -8.934 -3.634 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.497 -10.116 -4.646 1.00 0.00 C ATOM 0 H VAL A 25 14.558 -7.705 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 25 12.097 -7.447 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 25 12.473 -9.126 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.178 -9.892 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.237 -8.140 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.096 -8.748 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.115 -11.056 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.109 -9.966 -5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.586 -10.151 -4.678 1.00 0.00 H new ATOM 413 N PHE A 26 11.640 -5.453 -3.835 1.00 0.00 N ATOM 414 CA PHE A 26 11.323 -4.286 -3.040 1.00 0.00 C ATOM 415 C PHE A 26 9.824 -4.047 -3.065 1.00 0.00 C ATOM 416 O PHE A 26 9.110 -4.620 -3.883 1.00 0.00 O ATOM 417 CB PHE A 26 12.065 -3.054 -3.577 1.00 0.00 C ATOM 418 CG PHE A 26 13.566 -3.153 -3.509 1.00 0.00 C ATOM 419 CD1 PHE A 26 14.185 -3.835 -2.475 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.358 -2.563 -4.483 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.562 -3.925 -2.411 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.737 -2.648 -4.422 1.00 0.00 C ATOM 423 CZ PHE A 26 16.336 -3.331 -3.386 1.00 0.00 C ATOM 0 H PHE A 26 11.369 -5.379 -4.816 1.00 0.00 H new ATOM 0 HA PHE A 26 11.643 -4.458 -2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.770 -2.891 -4.614 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.745 -2.178 -3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.584 -4.302 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.892 -2.031 -5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.032 -4.460 -1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.343 -2.180 -5.184 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.413 -3.401 -3.337 1.00 0.00 H new ATOM 433 N THR A 27 9.338 -3.236 -2.158 1.00 0.00 N ATOM 434 CA THR A 27 7.937 -2.888 -2.158 1.00 0.00 C ATOM 435 C THR A 27 7.766 -1.377 -2.162 1.00 0.00 C ATOM 436 O THR A 27 8.341 -0.672 -1.331 1.00 0.00 O ATOM 437 CB THR A 27 7.217 -3.502 -0.944 1.00 0.00 C ATOM 438 OG1 THR A 27 7.571 -4.886 -0.822 1.00 0.00 O ATOM 439 CG2 THR A 27 5.710 -3.380 -1.077 1.00 0.00 C ATOM 0 H THR A 27 9.887 -2.806 -1.414 1.00 0.00 H new ATOM 0 HA THR A 27 7.487 -3.295 -3.064 1.00 0.00 H new ATOM 0 HB THR A 27 7.530 -2.956 -0.054 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.113 -5.274 -0.047 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.231 -3.823 -0.204 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.435 -2.328 -1.147 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.381 -3.902 -1.976 1.00 0.00 H new ATOM 447 N LEU A 28 7.001 -0.891 -3.121 1.00 0.00 N ATOM 448 CA LEU A 28 6.701 0.527 -3.232 1.00 0.00 C ATOM 449 C LEU A 28 5.253 0.701 -3.649 1.00 0.00 C ATOM 450 O LEU A 28 4.672 -0.196 -4.258 1.00 0.00 O ATOM 451 CB LEU A 28 7.626 1.208 -4.250 1.00 0.00 C ATOM 452 CG LEU A 28 9.056 1.470 -3.774 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.921 1.944 -4.931 1.00 0.00 C ATOM 454 CD2 LEU A 28 9.065 2.502 -2.657 1.00 0.00 C ATOM 0 H LEU A 28 6.570 -1.466 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 28 6.865 0.996 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.668 0.589 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.179 2.159 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 28 9.466 0.536 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.935 2.126 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.940 1.180 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.508 2.866 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.090 2.676 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.637 3.436 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.474 2.135 -1.818 1.00 0.00 H new ATOM 466 N PRO A 29 4.630 1.824 -3.285 1.00 0.00 N ATOM 467 CA PRO A 29 3.282 2.133 -3.732 1.00 0.00 C ATOM 468 C PRO A 29 3.249 2.390 -5.229 1.00 0.00 C ATOM 469 O PRO A 29 4.236 2.836 -5.814 1.00 0.00 O ATOM 470 CB PRO A 29 2.912 3.398 -2.956 1.00 0.00 C ATOM 471 CG PRO A 29 4.214 4.007 -2.564 1.00 0.00 C ATOM 472 CD PRO A 29 5.179 2.868 -2.405 1.00 0.00 C ATOM 0 HA PRO A 29 2.587 1.313 -3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.327 4.081 -3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.308 3.161 -2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.560 4.707 -3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.117 4.568 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.188 3.153 -2.702 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.235 2.531 -1.370 1.00 0.00 H new ATOM 480 N LEU A 30 2.107 2.124 -5.837 1.00 0.00 N ATOM 481 CA LEU A 30 1.924 2.310 -7.275 1.00 0.00 C ATOM 482 C LEU A 30 2.072 3.788 -7.645 1.00 0.00 C ATOM 483 O LEU A 30 2.175 4.149 -8.818 1.00 0.00 O ATOM 484 CB LEU A 30 0.538 1.798 -7.681 1.00 0.00 C ATOM 485 CG LEU A 30 0.294 1.666 -9.183 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.242 0.643 -9.783 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.150 1.279 -9.463 1.00 0.00 C ATOM 0 H LEU A 30 1.279 1.774 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 30 2.688 1.746 -7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.382 0.823 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.213 2.471 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 30 0.484 2.634 -9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.057 0.559 -10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.272 0.960 -9.617 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.079 -0.325 -9.310 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.301 1.191 -10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.370 0.324 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.816 2.045 -9.065 1.00 0.00 H new ATOM 499 N THR A 31 2.106 4.625 -6.619 1.00 0.00 N ATOM 500 CA THR A 31 2.178 6.063 -6.777 1.00 0.00 C ATOM 501 C THR A 31 3.585 6.535 -7.137 1.00 0.00 C ATOM 502 O THR A 31 3.760 7.642 -7.650 1.00 0.00 O ATOM 503 CB THR A 31 1.708 6.744 -5.482 1.00 0.00 C ATOM 504 OG1 THR A 31 2.463 6.249 -4.365 1.00 0.00 O ATOM 505 CG2 THR A 31 0.237 6.459 -5.250 1.00 0.00 C ATOM 0 H THR A 31 2.084 4.319 -5.646 1.00 0.00 H new ATOM 0 HA THR A 31 1.525 6.341 -7.604 1.00 0.00 H new ATOM 0 HB THR A 31 1.861 7.819 -5.579 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.159 6.689 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.087 6.946 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.345 6.843 -6.088 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.084 5.383 -5.165 1.00 0.00 H new ATOM 513 N ASP A 32 4.586 5.707 -6.862 1.00 0.00 N ATOM 514 CA ASP A 32 5.963 6.047 -7.223 1.00 0.00 C ATOM 515 C ASP A 32 6.218 5.817 -8.711 1.00 0.00 C ATOM 516 O ASP A 32 5.302 5.510 -9.478 1.00 0.00 O ATOM 517 CB ASP A 32 6.976 5.268 -6.376 1.00 0.00 C ATOM 518 CG ASP A 32 7.233 5.934 -5.039 1.00 0.00 C ATOM 519 OD1 ASP A 32 8.104 6.826 -4.975 1.00 0.00 O ATOM 520 OD2 ASP A 32 6.561 5.582 -4.050 1.00 0.00 O ATOM 0 H ASP A 32 4.476 4.806 -6.396 1.00 0.00 H new ATOM 0 HA ASP A 32 6.098 7.108 -7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.608 4.255 -6.211 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.915 5.181 -6.923 1.00 0.00 H new ATOM 525 N GLN A 33 7.466 5.971 -9.125 1.00 0.00 N ATOM 526 CA GLN A 33 7.804 5.910 -10.538 1.00 0.00 C ATOM 527 C GLN A 33 9.180 5.298 -10.768 1.00 0.00 C ATOM 528 O GLN A 33 9.904 4.989 -9.820 1.00 0.00 O ATOM 529 CB GLN A 33 7.747 7.309 -11.167 1.00 0.00 C ATOM 530 CG GLN A 33 8.515 8.372 -10.392 1.00 0.00 C ATOM 531 CD GLN A 33 7.735 8.972 -9.232 1.00 0.00 C ATOM 532 OE1 GLN A 33 6.426 9.102 -9.381 1.00 0.00 O flip ATOM 533 NE2 GLN A 33 8.315 9.345 -8.216 1.00 0.00 N flip ATOM 0 H GLN A 33 8.259 6.139 -8.505 1.00 0.00 H new ATOM 0 HA GLN A 33 7.066 5.267 -11.017 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.144 7.256 -12.181 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.704 7.617 -11.249 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.437 7.934 -10.009 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.802 9.171 -11.076 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.325 9.230 -8.134 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.787 9.770 -7.454 1.00 0.00 H new ATOM 542 N VAL A 34 9.529 5.149 -12.045 1.00 0.00 N ATOM 543 CA VAL A 34 10.808 4.571 -12.456 1.00 0.00 C ATOM 544 C VAL A 34 11.982 5.354 -11.882 1.00 0.00 C ATOM 545 O VAL A 34 13.036 4.787 -11.595 1.00 0.00 O ATOM 546 CB VAL A 34 10.948 4.552 -13.994 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.224 3.841 -14.419 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.730 3.917 -14.641 1.00 0.00 C ATOM 0 H VAL A 34 8.932 5.426 -12.825 1.00 0.00 H new ATOM 0 HA VAL A 34 10.823 3.551 -12.072 1.00 0.00 H new ATOM 0 HB VAL A 34 11.012 5.585 -14.337 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.296 3.843 -15.507 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.086 4.358 -13.997 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.205 2.813 -14.058 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.853 3.915 -15.724 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.623 2.892 -14.286 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.839 4.487 -14.378 1.00 0.00 H new ATOM 558 N SER A 35 11.789 6.657 -11.714 1.00 0.00 N ATOM 559 CA SER A 35 12.828 7.532 -11.188 1.00 0.00 C ATOM 560 C SER A 35 13.327 7.028 -9.831 1.00 0.00 C ATOM 561 O SER A 35 14.488 7.219 -9.475 1.00 0.00 O ATOM 562 CB SER A 35 12.292 8.963 -11.069 1.00 0.00 C ATOM 563 OG SER A 35 13.307 9.868 -10.671 1.00 0.00 O ATOM 0 H SER A 35 10.915 7.133 -11.937 1.00 0.00 H new ATOM 0 HA SER A 35 13.672 7.528 -11.878 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.878 9.278 -12.027 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.477 8.988 -10.346 1.00 0.00 H new ATOM 0 HG SER A 35 12.933 10.771 -10.606 1.00 0.00 H new ATOM 569 N VAL A 36 12.453 6.350 -9.094 1.00 0.00 N ATOM 570 CA VAL A 36 12.809 5.804 -7.801 1.00 0.00 C ATOM 571 C VAL A 36 13.626 4.521 -7.960 1.00 0.00 C ATOM 572 O VAL A 36 14.484 4.212 -7.138 1.00 0.00 O ATOM 573 CB VAL A 36 11.547 5.513 -6.967 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.921 5.128 -5.555 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.612 6.714 -6.973 1.00 0.00 C ATOM 0 H VAL A 36 11.490 6.168 -9.377 1.00 0.00 H new ATOM 0 HA VAL A 36 13.415 6.546 -7.281 1.00 0.00 H new ATOM 0 HB VAL A 36 11.021 4.672 -7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.016 4.926 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.545 4.235 -5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.472 5.945 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.727 6.489 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.125 7.577 -6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.314 6.938 -7.997 1.00 0.00 H new ATOM 585 N ILE A 37 13.367 3.787 -9.034 1.00 0.00 N ATOM 586 CA ILE A 37 14.080 2.539 -9.299 1.00 0.00 C ATOM 587 C ILE A 37 15.524 2.823 -9.702 1.00 0.00 C ATOM 588 O ILE A 37 16.459 2.295 -9.110 1.00 0.00 O ATOM 589 CB ILE A 37 13.399 1.706 -10.417 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.893 1.561 -10.157 1.00 0.00 C ATOM 591 CG2 ILE A 37 14.060 0.342 -10.530 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.551 0.930 -8.825 1.00 0.00 C ATOM 0 H ILE A 37 12.670 4.032 -9.737 1.00 0.00 H new ATOM 0 HA ILE A 37 14.057 1.961 -8.375 1.00 0.00 H new ATOM 0 HB ILE A 37 13.523 2.234 -11.363 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.430 2.547 -10.209 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.454 0.961 -10.954 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.574 -0.234 -11.318 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.115 0.468 -10.771 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.965 -0.188 -9.582 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.468 0.865 -8.721 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.981 -0.070 -8.775 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.957 1.540 -8.018 1.00 0.00 H new ATOM 604 N LYS A 38 15.694 3.678 -10.696 1.00 0.00 N ATOM 605 CA LYS A 38 17.019 4.034 -11.185 1.00 0.00 C ATOM 606 C LYS A 38 17.888 4.614 -10.072 1.00 0.00 C ATOM 607 O LYS A 38 19.065 4.270 -9.956 1.00 0.00 O ATOM 608 CB LYS A 38 16.904 5.050 -12.314 1.00 0.00 C ATOM 609 CG LYS A 38 15.867 6.118 -12.036 1.00 0.00 C ATOM 610 CD LYS A 38 16.164 7.408 -12.767 1.00 0.00 C ATOM 611 CE LYS A 38 17.445 8.053 -12.268 1.00 0.00 C ATOM 612 NZ LYS A 38 17.569 9.453 -12.752 1.00 0.00 N ATOM 0 H LYS A 38 14.928 4.142 -11.184 1.00 0.00 H new ATOM 0 HA LYS A 38 17.491 3.123 -11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.873 5.523 -12.472 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.648 4.532 -13.238 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.884 5.753 -12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.826 6.311 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.248 7.210 -13.836 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.333 8.101 -12.636 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.461 8.040 -11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.303 7.472 -12.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.560 9.647 -13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.968 9.585 -13.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.267 10.108 -12.002 1.00 0.00 H new ATOM 626 N VAL A 39 17.309 5.490 -9.253 1.00 0.00 N ATOM 627 CA VAL A 39 18.070 6.149 -8.203 1.00 0.00 C ATOM 628 C VAL A 39 18.462 5.156 -7.114 1.00 0.00 C ATOM 629 O VAL A 39 19.590 5.182 -6.629 1.00 0.00 O ATOM 630 CB VAL A 39 17.306 7.354 -7.582 1.00 0.00 C ATOM 631 CG1 VAL A 39 16.075 6.908 -6.808 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.229 8.170 -6.691 1.00 0.00 C ATOM 0 H VAL A 39 16.325 5.756 -9.298 1.00 0.00 H new ATOM 0 HA VAL A 39 18.973 6.542 -8.670 1.00 0.00 H new ATOM 0 HB VAL A 39 16.965 7.982 -8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.571 7.780 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.395 6.382 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.375 6.242 -5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.677 9.008 -6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.609 7.540 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.064 8.548 -7.281 1.00 0.00 H new ATOM 642 N LYS A 40 17.552 4.252 -6.764 1.00 0.00 N ATOM 643 CA LYS A 40 17.827 3.294 -5.699 1.00 0.00 C ATOM 644 C LYS A 40 18.927 2.326 -6.119 1.00 0.00 C ATOM 645 O LYS A 40 19.759 1.931 -5.307 1.00 0.00 O ATOM 646 CB LYS A 40 16.562 2.531 -5.267 1.00 0.00 C ATOM 647 CG LYS A 40 15.958 1.611 -6.311 1.00 0.00 C ATOM 648 CD LYS A 40 14.870 0.747 -5.696 1.00 0.00 C ATOM 649 CE LYS A 40 13.831 1.594 -4.972 1.00 0.00 C ATOM 650 NZ LYS A 40 13.201 0.867 -3.834 1.00 0.00 N ATOM 0 H LYS A 40 16.632 4.163 -7.195 1.00 0.00 H new ATOM 0 HA LYS A 40 18.172 3.860 -4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.801 1.939 -4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.806 3.258 -4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.543 2.202 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.735 0.977 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.384 0.161 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.316 0.040 -4.997 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.302 2.505 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.058 1.899 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.577 1.514 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.643 0.068 -4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.942 0.510 -3.197 1.00 0.00 H new ATOM 664 N ILE A 41 18.944 1.968 -7.396 1.00 0.00 N ATOM 665 CA ILE A 41 19.987 1.101 -7.927 1.00 0.00 C ATOM 666 C ILE A 41 21.315 1.848 -7.983 1.00 0.00 C ATOM 667 O ILE A 41 22.360 1.322 -7.601 1.00 0.00 O ATOM 668 CB ILE A 41 19.628 0.598 -9.339 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.296 -0.149 -9.309 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.728 -0.303 -9.887 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.734 -0.425 -10.681 1.00 0.00 C ATOM 0 H ILE A 41 18.249 2.264 -8.082 1.00 0.00 H new ATOM 0 HA ILE A 41 20.075 0.242 -7.261 1.00 0.00 H new ATOM 0 HB ILE A 41 19.533 1.461 -9.998 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.429 -1.094 -8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.573 0.435 -8.739 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.454 -0.647 -10.884 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.663 0.255 -9.940 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.855 -1.163 -9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.788 -0.958 -10.586 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.569 0.518 -11.203 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.438 -1.035 -11.247 1.00 0.00 H new ATOM 683 N HIS A 42 21.252 3.089 -8.442 1.00 0.00 N ATOM 684 CA HIS A 42 22.432 3.940 -8.565 1.00 0.00 C ATOM 685 C HIS A 42 23.104 4.162 -7.210 1.00 0.00 C ATOM 686 O HIS A 42 24.325 4.262 -7.128 1.00 0.00 O ATOM 687 CB HIS A 42 22.026 5.276 -9.208 1.00 0.00 C ATOM 688 CG HIS A 42 23.103 6.322 -9.257 1.00 0.00 C ATOM 689 ND1 HIS A 42 22.832 7.670 -9.207 1.00 0.00 N ATOM 690 CD2 HIS A 42 24.447 6.220 -9.382 1.00 0.00 C ATOM 691 CE1 HIS A 42 23.958 8.348 -9.306 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.953 7.493 -9.413 1.00 0.00 N ATOM 0 H HIS A 42 20.385 3.536 -8.740 1.00 0.00 H new ATOM 0 HA HIS A 42 23.162 3.442 -9.203 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.686 5.081 -10.225 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.175 5.680 -8.659 1.00 0.00 H new ATOM 0 HD2 HIS A 42 25.016 5.304 -9.446 1.00 0.00 H new ATOM 0 HE1 HIS A 42 24.049 9.424 -9.300 1.00 0.00 H new ATOM 0 HE2 HIS A 42 25.939 7.738 -9.504 1.00 0.00 H new ATOM 701 N GLU A 43 22.311 4.212 -6.157 1.00 0.00 N ATOM 702 CA GLU A 43 22.847 4.470 -4.827 1.00 0.00 C ATOM 703 C GLU A 43 23.254 3.167 -4.150 1.00 0.00 C ATOM 704 O GLU A 43 24.125 3.154 -3.280 1.00 0.00 O ATOM 705 CB GLU A 43 21.824 5.213 -3.961 1.00 0.00 C ATOM 706 CG GLU A 43 21.328 6.514 -4.573 1.00 0.00 C ATOM 707 CD GLU A 43 22.448 7.453 -4.963 1.00 0.00 C ATOM 708 OE1 GLU A 43 22.985 8.144 -4.075 1.00 0.00 O ATOM 709 OE2 GLU A 43 22.788 7.517 -6.162 1.00 0.00 O ATOM 0 H GLU A 43 21.300 4.079 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 43 23.730 5.099 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.971 4.559 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.271 5.427 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.728 6.288 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.672 7.016 -3.862 1.00 0.00 H new ATOM 716 N ALA A 44 22.620 2.074 -4.560 1.00 0.00 N ATOM 717 CA ALA A 44 22.898 0.762 -3.990 1.00 0.00 C ATOM 718 C ALA A 44 24.134 0.131 -4.625 1.00 0.00 C ATOM 719 O ALA A 44 25.058 -0.287 -3.928 1.00 0.00 O ATOM 720 CB ALA A 44 21.690 -0.151 -4.156 1.00 0.00 C ATOM 0 H ALA A 44 21.906 2.072 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 44 23.100 0.893 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.911 -1.128 -3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.832 0.285 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.462 -0.264 -5.216 1.00 0.00 H new ATOM 726 N THR A 45 24.144 0.058 -5.949 1.00 0.00 N ATOM 727 CA THR A 45 25.239 -0.572 -6.670 1.00 0.00 C ATOM 728 C THR A 45 26.319 0.451 -7.008 1.00 0.00 C ATOM 729 O THR A 45 27.514 0.185 -6.869 1.00 0.00 O ATOM 730 CB THR A 45 24.732 -1.243 -7.966 1.00 0.00 C ATOM 731 OG1 THR A 45 24.566 -0.273 -9.009 1.00 0.00 O ATOM 732 CG2 THR A 45 23.393 -1.914 -7.723 1.00 0.00 C ATOM 0 H THR A 45 23.404 0.428 -6.546 1.00 0.00 H new ATOM 0 HA THR A 45 25.666 -1.338 -6.023 1.00 0.00 H new ATOM 0 HB THR A 45 25.474 -1.983 -8.267 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.904 0.395 -8.733 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.048 -2.382 -8.645 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.502 -2.673 -6.949 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.666 -1.169 -7.401 1.00 0.00 H new ATOM 740 N GLY A 46 25.887 1.618 -7.450 1.00 0.00 N ATOM 741 CA GLY A 46 26.814 2.665 -7.810 1.00 0.00 C ATOM 742 C GLY A 46 26.673 3.074 -9.262 1.00 0.00 C ATOM 743 O GLY A 46 27.270 4.060 -9.697 1.00 0.00 O ATOM 0 H GLY A 46 24.903 1.860 -7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.647 3.532 -7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.833 2.325 -7.626 1.00 0.00 H new ATOM 747 N MET A 47 25.873 2.324 -10.015 1.00 0.00 N ATOM 748 CA MET A 47 25.698 2.592 -11.442 1.00 0.00 C ATOM 749 C MET A 47 24.546 3.566 -11.688 1.00 0.00 C ATOM 750 O MET A 47 23.394 3.293 -11.356 1.00 0.00 O ATOM 751 CB MET A 47 25.464 1.287 -12.213 1.00 0.00 C ATOM 752 CG MET A 47 24.138 0.613 -11.896 1.00 0.00 C ATOM 753 SD MET A 47 24.080 -1.130 -12.371 1.00 0.00 S ATOM 754 CE MET A 47 24.102 -1.025 -14.160 1.00 0.00 C ATOM 0 H MET A 47 25.338 1.530 -9.665 1.00 0.00 H new ATOM 0 HA MET A 47 26.615 3.055 -11.806 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.508 1.495 -13.282 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.275 0.594 -11.990 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.944 0.696 -10.827 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.337 1.147 -12.407 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.724 -1.824 -14.564 1.00 0.00 H new ATOM 0 HE2 MET A 47 23.087 -1.127 -14.543 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.508 -0.060 -14.463 1.00 0.00 H new ATOM 764 N PRO A 48 24.855 4.738 -12.249 1.00 0.00 N ATOM 765 CA PRO A 48 23.840 5.721 -12.616 1.00 0.00 C ATOM 766 C PRO A 48 22.963 5.239 -13.765 1.00 0.00 C ATOM 767 O PRO A 48 23.364 4.370 -14.544 1.00 0.00 O ATOM 768 CB PRO A 48 24.648 6.954 -13.032 1.00 0.00 C ATOM 769 CG PRO A 48 26.016 6.456 -13.342 1.00 0.00 C ATOM 770 CD PRO A 48 26.219 5.205 -12.534 1.00 0.00 C ATOM 0 HA PRO A 48 23.152 5.917 -11.793 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.202 7.439 -13.900 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.673 7.694 -12.232 1.00 0.00 H new ATOM 0 HG2 PRO A 48 26.119 6.249 -14.407 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.766 7.205 -13.089 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.788 4.459 -13.090 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.771 5.408 -11.616 1.00 0.00 H new ATOM 778 N ALA A 49 21.778 5.826 -13.876 1.00 0.00 N ATOM 779 CA ALA A 49 20.810 5.447 -14.903 1.00 0.00 C ATOM 780 C ALA A 49 21.316 5.809 -16.298 1.00 0.00 C ATOM 781 O ALA A 49 20.696 5.472 -17.307 1.00 0.00 O ATOM 782 CB ALA A 49 19.480 6.125 -14.637 1.00 0.00 C ATOM 0 H ALA A 49 21.460 6.575 -13.261 1.00 0.00 H new ATOM 0 HA ALA A 49 20.676 4.366 -14.863 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.764 5.837 -15.407 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.105 5.819 -13.660 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.614 7.207 -14.652 1.00 0.00 H new ATOM 788 N GLY A 50 22.448 6.505 -16.338 1.00 0.00 N ATOM 789 CA GLY A 50 23.073 6.858 -17.595 1.00 0.00 C ATOM 790 C GLY A 50 23.458 5.642 -18.408 1.00 0.00 C ATOM 791 O GLY A 50 23.506 5.697 -19.634 1.00 0.00 O ATOM 0 H GLY A 50 22.947 6.833 -15.511 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.391 7.479 -18.175 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.962 7.458 -17.400 1.00 0.00 H new ATOM 795 N LYS A 51 23.736 4.539 -17.722 1.00 0.00 N ATOM 796 CA LYS A 51 24.131 3.311 -18.387 1.00 0.00 C ATOM 797 C LYS A 51 23.285 2.152 -17.885 1.00 0.00 C ATOM 798 O LYS A 51 23.295 1.061 -18.454 1.00 0.00 O ATOM 799 CB LYS A 51 25.619 2.995 -18.169 1.00 0.00 C ATOM 800 CG LYS A 51 26.462 4.150 -17.633 1.00 0.00 C ATOM 801 CD LYS A 51 26.229 4.380 -16.146 1.00 0.00 C ATOM 802 CE LYS A 51 26.334 3.092 -15.361 1.00 0.00 C ATOM 803 NZ LYS A 51 27.681 2.475 -15.503 1.00 0.00 N ATOM 0 H LYS A 51 23.694 4.474 -16.705 1.00 0.00 H new ATOM 0 HA LYS A 51 23.971 3.451 -19.456 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.697 2.158 -17.475 1.00 0.00 H new ATOM 0 HB3 LYS A 51 26.046 2.665 -19.116 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.517 3.941 -17.807 1.00 0.00 H new ATOM 0 HG3 LYS A 51 26.223 5.060 -18.183 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.959 5.097 -15.769 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.243 4.819 -15.995 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.132 3.289 -14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.574 2.391 -15.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.698 1.560 -15.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.891 2.327 -16.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.397 3.106 -15.089 1.00 0.00 H new ATOM 817 N GLN A 52 22.557 2.405 -16.815 1.00 0.00 N ATOM 818 CA GLN A 52 21.706 1.416 -16.201 1.00 0.00 C ATOM 819 C GLN A 52 20.298 1.536 -16.779 1.00 0.00 C ATOM 820 O GLN A 52 19.631 2.556 -16.623 1.00 0.00 O ATOM 821 CB GLN A 52 21.763 1.641 -14.685 1.00 0.00 C ATOM 822 CG GLN A 52 20.515 1.290 -13.893 1.00 0.00 C ATOM 823 CD GLN A 52 19.765 2.513 -13.409 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.763 2.916 -13.983 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.307 3.162 -12.401 1.00 0.00 N ATOM 0 H GLN A 52 22.542 3.311 -16.347 1.00 0.00 H new ATOM 0 HA GLN A 52 22.036 0.398 -16.407 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.593 1.059 -14.286 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.995 2.691 -14.506 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.854 0.686 -14.514 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.794 0.678 -13.036 1.00 0.00 H new ATOM 0 HE21 GLN A 52 21.143 2.794 -11.948 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.891 4.034 -12.073 1.00 0.00 H new ATOM 834 N LYS A 53 19.891 0.518 -17.517 1.00 0.00 N ATOM 835 CA LYS A 53 18.581 0.501 -18.152 1.00 0.00 C ATOM 836 C LYS A 53 17.627 -0.425 -17.400 1.00 0.00 C ATOM 837 O LYS A 53 18.026 -1.499 -16.945 1.00 0.00 O ATOM 838 CB LYS A 53 18.722 0.034 -19.602 1.00 0.00 C ATOM 839 CG LYS A 53 19.761 0.804 -20.418 1.00 0.00 C ATOM 840 CD LYS A 53 19.239 2.128 -20.980 1.00 0.00 C ATOM 841 CE LYS A 53 19.003 3.179 -19.905 1.00 0.00 C ATOM 842 NZ LYS A 53 18.686 4.511 -20.491 1.00 0.00 N ATOM 0 H LYS A 53 20.453 -0.315 -17.693 1.00 0.00 H new ATOM 0 HA LYS A 53 18.169 1.510 -18.130 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.987 -1.023 -19.606 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.754 0.122 -20.095 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.630 1.003 -19.790 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.100 0.177 -21.243 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.953 2.514 -21.707 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.306 1.947 -21.514 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.183 2.861 -19.261 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.890 3.261 -19.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.532 5.199 -19.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 19.479 4.826 -21.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.825 4.439 -21.071 1.00 0.00 H new ATOM 856 N LEU A 54 16.372 -0.004 -17.269 1.00 0.00 N ATOM 857 CA LEU A 54 15.357 -0.813 -16.600 1.00 0.00 C ATOM 858 C LEU A 54 14.342 -1.320 -17.619 1.00 0.00 C ATOM 859 O LEU A 54 13.891 -0.570 -18.485 1.00 0.00 O ATOM 860 CB LEU A 54 14.613 -0.020 -15.510 1.00 0.00 C ATOM 861 CG LEU A 54 15.468 0.706 -14.463 1.00 0.00 C ATOM 862 CD1 LEU A 54 16.597 -0.181 -13.969 1.00 0.00 C ATOM 863 CD2 LEU A 54 15.998 2.025 -15.008 1.00 0.00 C ATOM 0 H LEU A 54 16.033 0.893 -17.617 1.00 0.00 H new ATOM 0 HA LEU A 54 15.872 -1.649 -16.125 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.982 0.720 -16.002 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.949 -0.708 -14.986 1.00 0.00 H new ATOM 0 HG LEU A 54 14.830 0.934 -13.609 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.186 0.359 -13.228 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.181 -1.081 -13.516 1.00 0.00 H new ATOM 0 HD13 LEU A 54 17.235 -0.459 -14.808 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.600 2.518 -14.245 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.612 1.835 -15.888 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.161 2.668 -15.282 1.00 0.00 H new ATOM 875 N GLN A 55 13.988 -2.586 -17.513 1.00 0.00 N ATOM 876 CA GLN A 55 13.040 -3.195 -18.430 1.00 0.00 C ATOM 877 C GLN A 55 11.917 -3.910 -17.680 1.00 0.00 C ATOM 878 O GLN A 55 12.153 -4.873 -16.959 1.00 0.00 O ATOM 879 CB GLN A 55 13.780 -4.172 -19.338 1.00 0.00 C ATOM 880 CG GLN A 55 12.876 -5.156 -20.053 1.00 0.00 C ATOM 881 CD GLN A 55 13.652 -6.229 -20.784 1.00 0.00 C ATOM 882 OE1 GLN A 55 13.978 -7.271 -20.217 1.00 0.00 O ATOM 883 NE2 GLN A 55 13.936 -5.989 -22.050 1.00 0.00 N ATOM 0 H GLN A 55 14.345 -3.218 -16.796 1.00 0.00 H new ATOM 0 HA GLN A 55 12.581 -2.409 -19.030 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.343 -3.606 -20.080 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.505 -4.727 -18.743 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.209 -5.624 -19.329 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.248 -4.618 -20.764 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.646 -5.111 -22.480 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.445 -6.682 -22.599 1.00 0.00 H new ATOM 892 N TYR A 56 10.695 -3.447 -17.873 1.00 0.00 N ATOM 893 CA TYR A 56 9.533 -4.039 -17.219 1.00 0.00 C ATOM 894 C TYR A 56 8.745 -4.875 -18.197 1.00 0.00 C ATOM 895 O TYR A 56 8.151 -4.355 -19.136 1.00 0.00 O ATOM 896 CB TYR A 56 8.651 -2.959 -16.588 1.00 0.00 C ATOM 897 CG TYR A 56 7.315 -3.463 -16.059 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.240 -4.630 -15.306 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.131 -2.769 -16.304 1.00 0.00 C ATOM 900 CE1 TYR A 56 6.032 -5.093 -14.820 1.00 0.00 C ATOM 901 CE2 TYR A 56 4.920 -3.230 -15.818 1.00 0.00 C ATOM 902 CZ TYR A 56 4.875 -4.392 -15.078 1.00 0.00 C ATOM 903 OH TYR A 56 3.669 -4.850 -14.590 1.00 0.00 O ATOM 0 H TYR A 56 10.477 -2.658 -18.481 1.00 0.00 H new ATOM 0 HA TYR A 56 9.886 -4.690 -16.419 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.199 -2.493 -15.769 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.464 -2.182 -17.329 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.143 -5.185 -15.097 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.159 -1.857 -16.882 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.995 -6.003 -14.239 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.012 -2.680 -16.018 1.00 0.00 H new ATOM 0 HH TYR A 56 2.953 -4.239 -14.861 1.00 0.00 H new ATOM 913 N GLU A 57 8.779 -6.179 -17.971 1.00 0.00 N ATOM 914 CA GLU A 57 8.079 -7.144 -18.810 1.00 0.00 C ATOM 915 C GLU A 57 8.501 -7.019 -20.272 1.00 0.00 C ATOM 916 O GLU A 57 7.729 -7.322 -21.182 1.00 0.00 O ATOM 917 CB GLU A 57 6.573 -6.941 -18.672 1.00 0.00 C ATOM 918 CG GLU A 57 6.038 -7.319 -17.307 1.00 0.00 C ATOM 919 CD GLU A 57 6.082 -8.812 -17.049 1.00 0.00 C ATOM 920 OE1 GLU A 57 5.234 -9.544 -17.606 1.00 0.00 O ATOM 921 OE2 GLU A 57 6.962 -9.261 -16.283 1.00 0.00 O ATOM 0 H GLU A 57 9.294 -6.601 -17.198 1.00 0.00 H new ATOM 0 HA GLU A 57 8.343 -8.148 -18.476 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.335 -5.896 -18.871 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.063 -7.534 -19.431 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.618 -6.806 -16.540 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.009 -6.970 -17.216 1.00 0.00 H new ATOM 928 N GLY A 58 9.739 -6.600 -20.484 1.00 0.00 N ATOM 929 CA GLY A 58 10.250 -6.462 -21.835 1.00 0.00 C ATOM 930 C GLY A 58 10.039 -5.066 -22.389 1.00 0.00 C ATOM 931 O GLY A 58 10.044 -4.864 -23.601 1.00 0.00 O ATOM 0 H GLY A 58 10.400 -6.353 -19.747 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.314 -6.698 -21.845 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.757 -7.186 -22.483 1.00 0.00 H new ATOM 935 N ILE A 59 9.856 -4.105 -21.495 1.00 0.00 N ATOM 936 CA ILE A 59 9.629 -2.723 -21.880 1.00 0.00 C ATOM 937 C ILE A 59 10.637 -1.834 -21.180 1.00 0.00 C ATOM 938 O ILE A 59 10.652 -1.760 -19.954 1.00 0.00 O ATOM 939 CB ILE A 59 8.207 -2.257 -21.497 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.174 -3.319 -21.884 1.00 0.00 C ATOM 941 CG2 ILE A 59 7.890 -0.931 -22.171 1.00 0.00 C ATOM 942 CD1 ILE A 59 5.767 -3.010 -21.413 1.00 0.00 C ATOM 0 H ILE A 59 9.861 -4.262 -20.487 1.00 0.00 H new ATOM 0 HA ILE A 59 9.739 -2.653 -22.962 1.00 0.00 H new ATOM 0 HB ILE A 59 8.164 -2.116 -20.417 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.168 -3.427 -22.969 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.482 -4.279 -21.470 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.885 -0.613 -21.893 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.610 -0.178 -21.850 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.947 -1.050 -23.253 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.095 -3.809 -21.726 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.756 -2.932 -20.326 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.437 -2.067 -21.848 1.00 0.00 H new ATOM 954 N PHE A 60 11.495 -1.185 -21.946 1.00 0.00 N ATOM 955 CA PHE A 60 12.492 -0.304 -21.365 1.00 0.00 C ATOM 956 C PHE A 60 11.855 0.989 -20.896 1.00 0.00 C ATOM 957 O PHE A 60 11.625 1.919 -21.671 1.00 0.00 O ATOM 958 CB PHE A 60 13.625 -0.034 -22.348 1.00 0.00 C ATOM 959 CG PHE A 60 14.585 -1.179 -22.460 1.00 0.00 C ATOM 960 CD1 PHE A 60 14.320 -2.248 -23.295 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.756 -1.182 -21.723 1.00 0.00 C ATOM 962 CE1 PHE A 60 15.209 -3.301 -23.399 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.653 -2.228 -21.824 1.00 0.00 C ATOM 964 CZ PHE A 60 16.378 -3.290 -22.663 1.00 0.00 C ATOM 0 H PHE A 60 11.522 -1.250 -22.964 1.00 0.00 H new ATOM 0 HA PHE A 60 12.921 -0.804 -20.497 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.204 0.178 -23.331 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.167 0.858 -22.034 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.408 -2.261 -23.873 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.972 -0.357 -21.061 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.990 -4.131 -24.054 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.567 -2.215 -21.248 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.076 -4.110 -22.744 1.00 0.00 H new ATOM 974 N ILE A 61 11.545 1.005 -19.616 1.00 0.00 N ATOM 975 CA ILE A 61 10.881 2.140 -18.992 1.00 0.00 C ATOM 976 C ILE A 61 11.869 3.283 -18.752 1.00 0.00 C ATOM 977 O ILE A 61 13.073 3.059 -18.626 1.00 0.00 O ATOM 978 CB ILE A 61 10.226 1.718 -17.657 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.302 1.455 -16.591 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.352 0.483 -17.868 1.00 0.00 C ATOM 981 CD1 ILE A 61 11.197 0.114 -15.891 1.00 0.00 C ATOM 0 H ILE A 61 11.744 0.235 -18.977 1.00 0.00 H new ATOM 0 HA ILE A 61 10.103 2.490 -19.671 1.00 0.00 H new ATOM 0 HB ILE A 61 9.592 2.530 -17.302 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.283 1.527 -17.061 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.250 2.244 -15.841 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.895 0.194 -16.921 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.571 0.710 -18.593 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.965 -0.338 -18.240 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.999 0.022 -15.158 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.234 0.042 -15.386 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.283 -0.687 -16.625 1.00 0.00 H new ATOM 993 N LYS A 62 11.358 4.507 -18.706 1.00 0.00 N ATOM 994 CA LYS A 62 12.203 5.667 -18.476 1.00 0.00 C ATOM 995 C LYS A 62 11.754 6.446 -17.247 1.00 0.00 C ATOM 996 O LYS A 62 10.648 6.242 -16.747 1.00 0.00 O ATOM 997 CB LYS A 62 12.226 6.592 -19.695 1.00 0.00 C ATOM 998 CG LYS A 62 10.865 7.105 -20.133 1.00 0.00 C ATOM 999 CD LYS A 62 10.382 6.404 -21.394 1.00 0.00 C ATOM 1000 CE LYS A 62 9.232 7.155 -22.049 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.684 8.407 -22.711 1.00 0.00 N ATOM 0 H LYS A 62 10.367 4.719 -18.824 1.00 0.00 H new ATOM 0 HA LYS A 62 13.213 5.294 -18.303 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.866 7.446 -19.473 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.683 6.059 -20.529 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.142 6.952 -19.331 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.920 8.179 -20.311 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.208 6.315 -22.100 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.062 5.391 -21.148 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.751 6.510 -22.785 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.481 7.395 -21.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.919 8.778 -23.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.931 9.113 -21.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.519 8.207 -23.299 1.00 0.00 H new ATOM 1015 N ASP A 63 12.622 7.350 -16.793 1.00 0.00 N ATOM 1016 CA ASP A 63 12.398 8.169 -15.594 1.00 0.00 C ATOM 1017 C ASP A 63 11.041 8.860 -15.627 1.00 0.00 C ATOM 1018 O ASP A 63 10.415 9.077 -14.587 1.00 0.00 O ATOM 1019 CB ASP A 63 13.469 9.271 -15.479 1.00 0.00 C ATOM 1020 CG ASP A 63 14.904 8.787 -15.607 1.00 0.00 C ATOM 1021 OD1 ASP A 63 15.160 7.827 -16.360 1.00 0.00 O ATOM 1022 OD2 ASP A 63 15.797 9.387 -14.965 1.00 0.00 O ATOM 0 H ASP A 63 13.513 7.539 -17.251 1.00 0.00 H new ATOM 0 HA ASP A 63 12.446 7.488 -14.744 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.283 10.019 -16.250 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.354 9.770 -14.517 1.00 0.00 H new ATOM 1027 N SER A 64 10.601 9.210 -16.825 1.00 0.00 N ATOM 1028 CA SER A 64 9.403 10.019 -17.000 1.00 0.00 C ATOM 1029 C SER A 64 8.139 9.200 -16.752 1.00 0.00 C ATOM 1030 O SER A 64 7.052 9.756 -16.575 1.00 0.00 O ATOM 1031 CB SER A 64 9.386 10.595 -18.413 1.00 0.00 C ATOM 1032 OG SER A 64 10.688 11.012 -18.795 1.00 0.00 O ATOM 0 H SER A 64 11.059 8.945 -17.697 1.00 0.00 H new ATOM 0 HA SER A 64 9.422 10.829 -16.271 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.018 9.845 -19.113 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.699 11.440 -18.460 1.00 0.00 H new ATOM 0 HG SER A 64 10.661 11.377 -19.704 1.00 0.00 H new ATOM 1038 N ASN A 65 8.287 7.882 -16.718 1.00 0.00 N ATOM 1039 CA ASN A 65 7.152 6.998 -16.543 1.00 0.00 C ATOM 1040 C ASN A 65 7.034 6.607 -15.087 1.00 0.00 C ATOM 1041 O ASN A 65 7.973 6.775 -14.307 1.00 0.00 O ATOM 1042 CB ASN A 65 7.281 5.741 -17.410 1.00 0.00 C ATOM 1043 CG ASN A 65 7.250 6.042 -18.894 1.00 0.00 C ATOM 1044 OD1 ASN A 65 7.832 5.157 -19.685 1.00 0.00 O flip ATOM 1045 ND2 ASN A 65 6.692 7.046 -19.328 1.00 0.00 N flip ATOM 0 H ASN A 65 9.184 7.405 -16.810 1.00 0.00 H new ATOM 0 HA ASN A 65 6.255 7.531 -16.857 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.214 5.233 -17.167 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.471 5.054 -17.167 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.254 7.705 -18.684 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.666 7.221 -20.333 1.00 0.00 H new ATOM 1052 N SER A 66 5.898 6.064 -14.723 1.00 0.00 N ATOM 1053 CA SER A 66 5.638 5.742 -13.345 1.00 0.00 C ATOM 1054 C SER A 66 5.129 4.322 -13.231 1.00 0.00 C ATOM 1055 O SER A 66 4.783 3.697 -14.238 1.00 0.00 O ATOM 1056 CB SER A 66 4.625 6.728 -12.766 1.00 0.00 C ATOM 1057 OG SER A 66 3.375 6.622 -13.425 1.00 0.00 O ATOM 0 H SER A 66 5.139 5.836 -15.365 1.00 0.00 H new ATOM 0 HA SER A 66 6.564 5.821 -12.776 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.495 6.537 -11.701 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.006 7.745 -12.864 1.00 0.00 H new ATOM 0 HG SER A 66 2.744 7.262 -13.035 1.00 0.00 H new ATOM 1063 N LEU A 67 5.096 3.813 -12.015 1.00 0.00 N ATOM 1064 CA LEU A 67 4.614 2.470 -11.772 1.00 0.00 C ATOM 1065 C LEU A 67 3.134 2.386 -12.127 1.00 0.00 C ATOM 1066 O LEU A 67 2.696 1.449 -12.796 1.00 0.00 O ATOM 1067 CB LEU A 67 4.830 2.102 -10.308 1.00 0.00 C ATOM 1068 CG LEU A 67 6.187 2.527 -9.734 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.238 2.297 -8.239 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.331 1.796 -10.414 1.00 0.00 C ATOM 0 H LEU A 67 5.399 4.312 -11.178 1.00 0.00 H new ATOM 0 HA LEU A 67 5.167 1.767 -12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.040 2.559 -9.712 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.727 1.022 -10.200 1.00 0.00 H new ATOM 0 HG LEU A 67 6.302 3.593 -9.928 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.211 2.606 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.455 2.880 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.085 1.239 -8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.278 2.121 -9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.215 0.722 -10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.322 2.019 -11.481 1.00 0.00 H new ATOM 1082 N ALA A 68 2.375 3.386 -11.678 1.00 0.00 N ATOM 1083 CA ALA A 68 0.955 3.497 -12.003 1.00 0.00 C ATOM 1084 C ALA A 68 0.732 3.571 -13.506 1.00 0.00 C ATOM 1085 O ALA A 68 -0.213 2.982 -14.025 1.00 0.00 O ATOM 1086 CB ALA A 68 0.355 4.723 -11.331 1.00 0.00 C ATOM 0 H ALA A 68 2.725 4.137 -11.083 1.00 0.00 H new ATOM 0 HA ALA A 68 0.459 2.601 -11.630 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.703 4.794 -11.581 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.467 4.637 -10.250 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.871 5.618 -11.679 1.00 0.00 H new ATOM 1092 N TYR A 69 1.613 4.279 -14.203 1.00 0.00 N ATOM 1093 CA TYR A 69 1.508 4.440 -15.650 1.00 0.00 C ATOM 1094 C TYR A 69 1.485 3.082 -16.349 1.00 0.00 C ATOM 1095 O TYR A 69 0.649 2.832 -17.218 1.00 0.00 O ATOM 1096 CB TYR A 69 2.673 5.288 -16.170 1.00 0.00 C ATOM 1097 CG TYR A 69 2.703 5.444 -17.671 1.00 0.00 C ATOM 1098 CD1 TYR A 69 1.873 6.354 -18.311 1.00 0.00 C ATOM 1099 CD2 TYR A 69 3.563 4.680 -18.445 1.00 0.00 C ATOM 1100 CE1 TYR A 69 1.905 6.500 -19.683 1.00 0.00 C ATOM 1101 CE2 TYR A 69 3.601 4.818 -19.815 1.00 0.00 C ATOM 1102 CZ TYR A 69 2.768 5.728 -20.431 1.00 0.00 C ATOM 1103 OH TYR A 69 2.806 5.875 -21.800 1.00 0.00 O ATOM 0 H TYR A 69 2.414 4.754 -13.787 1.00 0.00 H new ATOM 0 HA TYR A 69 0.571 4.951 -15.873 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.620 6.277 -15.714 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.610 4.837 -15.844 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.193 6.956 -17.727 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.214 3.964 -17.965 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.257 7.215 -20.168 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.279 4.217 -20.403 1.00 0.00 H new ATOM 0 HH TYR A 69 3.468 5.258 -22.177 1.00 0.00 H new ATOM 1113 N TYR A 70 2.393 2.199 -15.950 1.00 0.00 N ATOM 1114 CA TYR A 70 2.464 0.864 -16.539 1.00 0.00 C ATOM 1115 C TYR A 70 1.516 -0.101 -15.848 1.00 0.00 C ATOM 1116 O TYR A 70 1.397 -1.255 -16.258 1.00 0.00 O ATOM 1117 CB TYR A 70 3.886 0.313 -16.458 1.00 0.00 C ATOM 1118 CG TYR A 70 4.824 0.889 -17.486 1.00 0.00 C ATOM 1119 CD1 TYR A 70 4.880 0.358 -18.769 1.00 0.00 C ATOM 1120 CD2 TYR A 70 5.658 1.952 -17.178 1.00 0.00 C ATOM 1121 CE1 TYR A 70 5.739 0.874 -19.716 1.00 0.00 C ATOM 1122 CE2 TYR A 70 6.519 2.475 -18.122 1.00 0.00 C ATOM 1123 CZ TYR A 70 6.556 1.931 -19.387 1.00 0.00 C ATOM 1124 OH TYR A 70 7.418 2.447 -20.325 1.00 0.00 O ATOM 0 H TYR A 70 3.087 2.380 -15.225 1.00 0.00 H new ATOM 0 HA TYR A 70 2.168 0.958 -17.584 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.286 0.512 -15.464 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.853 -0.770 -16.577 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.240 -0.472 -19.029 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.634 2.377 -16.186 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.770 0.451 -20.709 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.160 3.307 -17.870 1.00 0.00 H new ATOM 0 HH TYR A 70 7.584 3.393 -20.132 1.00 0.00 H new ATOM 1134 N ASN A 71 0.842 0.380 -14.805 1.00 0.00 N ATOM 1135 CA ASN A 71 -0.011 -0.466 -13.974 1.00 0.00 C ATOM 1136 C ASN A 71 0.801 -1.611 -13.391 1.00 0.00 C ATOM 1137 O ASN A 71 0.394 -2.771 -13.471 1.00 0.00 O ATOM 1138 CB ASN A 71 -1.203 -1.034 -14.762 1.00 0.00 C ATOM 1139 CG ASN A 71 -2.369 -0.065 -14.894 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -3.526 -0.480 -14.939 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -2.087 1.226 -14.957 1.00 0.00 N ATOM 0 H ASN A 71 0.871 1.357 -14.514 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.405 0.159 -13.172 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.865 -1.319 -15.758 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.551 -1.943 -14.271 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.840 1.909 -15.045 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.117 1.539 -14.917 1.00 0.00 H new ATOM 1148 N MET A 72 1.970 -1.288 -12.840 1.00 0.00 N ATOM 1149 CA MET A 72 2.799 -2.283 -12.173 1.00 0.00 C ATOM 1150 C MET A 72 2.077 -2.855 -10.962 1.00 0.00 C ATOM 1151 O MET A 72 2.195 -2.340 -9.851 1.00 0.00 O ATOM 1152 CB MET A 72 4.139 -1.686 -11.735 1.00 0.00 C ATOM 1153 CG MET A 72 5.068 -1.334 -12.883 1.00 0.00 C ATOM 1154 SD MET A 72 6.689 -0.798 -12.304 1.00 0.00 S ATOM 1155 CE MET A 72 7.544 -0.516 -13.850 1.00 0.00 C ATOM 0 H MET A 72 2.361 -0.346 -12.844 1.00 0.00 H new ATOM 0 HA MET A 72 2.992 -3.082 -12.889 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.949 -0.788 -11.147 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.643 -2.396 -11.079 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.184 -2.201 -13.533 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.618 -0.543 -13.483 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.400 0.137 -13.679 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.889 -1.468 -14.254 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.865 -0.045 -14.561 1.00 0.00 H new ATOM 1165 N ALA A 73 1.293 -3.895 -11.193 1.00 0.00 N ATOM 1166 CA ALA A 73 0.582 -4.573 -10.126 1.00 0.00 C ATOM 1167 C ALA A 73 1.550 -5.303 -9.205 1.00 0.00 C ATOM 1168 O ALA A 73 2.762 -5.301 -9.433 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.430 -5.544 -10.708 1.00 0.00 C ATOM 0 H ALA A 73 1.133 -4.290 -12.120 1.00 0.00 H new ATOM 0 HA ALA A 73 0.054 -3.824 -9.535 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.958 -6.048 -9.898 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.145 -4.999 -11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.086 -6.284 -11.320 1.00 0.00 H new ATOM 1175 N ASN A 74 1.011 -5.931 -8.171 1.00 0.00 N ATOM 1176 CA ASN A 74 1.832 -6.658 -7.217 1.00 0.00 C ATOM 1177 C ASN A 74 2.588 -7.775 -7.927 1.00 0.00 C ATOM 1178 O ASN A 74 1.985 -8.721 -8.438 1.00 0.00 O ATOM 1179 CB ASN A 74 0.960 -7.247 -6.108 1.00 0.00 C ATOM 1180 CG ASN A 74 1.772 -7.735 -4.924 1.00 0.00 C ATOM 1181 OD1 ASN A 74 2.305 -8.843 -4.931 1.00 0.00 O ATOM 1182 ND2 ASN A 74 1.842 -6.919 -3.883 1.00 0.00 N ATOM 0 H ASN A 74 0.011 -5.951 -7.972 1.00 0.00 H new ATOM 0 HA ASN A 74 2.548 -5.966 -6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.250 -6.492 -5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.377 -8.076 -6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.352 -7.202 -3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.385 -6.008 -3.918 1.00 0.00 H new ATOM 1189 N GLY A 75 3.905 -7.658 -7.954 1.00 0.00 N ATOM 1190 CA GLY A 75 4.720 -8.636 -8.635 1.00 0.00 C ATOM 1191 C GLY A 75 5.261 -8.120 -9.953 1.00 0.00 C ATOM 1192 O GLY A 75 5.298 -8.853 -10.943 1.00 0.00 O ATOM 0 H GLY A 75 4.425 -6.899 -7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.552 -8.923 -7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.130 -9.535 -8.814 1.00 0.00 H new ATOM 1196 N ALA A 76 5.679 -6.860 -9.976 1.00 0.00 N ATOM 1197 CA ALA A 76 6.254 -6.278 -11.180 1.00 0.00 C ATOM 1198 C ALA A 76 7.733 -6.626 -11.279 1.00 0.00 C ATOM 1199 O ALA A 76 8.537 -6.210 -10.446 1.00 0.00 O ATOM 1200 CB ALA A 76 6.055 -4.773 -11.195 1.00 0.00 C ATOM 0 H ALA A 76 5.631 -6.226 -9.179 1.00 0.00 H new ATOM 0 HA ALA A 76 5.741 -6.696 -12.046 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.492 -4.357 -12.103 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.989 -4.547 -11.169 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.541 -4.333 -10.324 1.00 0.00 H new ATOM 1206 N VAL A 77 8.076 -7.400 -12.289 1.00 0.00 N ATOM 1207 CA VAL A 77 9.446 -7.843 -12.488 1.00 0.00 C ATOM 1208 C VAL A 77 10.182 -6.922 -13.450 1.00 0.00 C ATOM 1209 O VAL A 77 9.949 -6.954 -14.661 1.00 0.00 O ATOM 1210 CB VAL A 77 9.497 -9.275 -13.055 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.918 -9.817 -13.017 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.546 -10.188 -12.302 1.00 0.00 C ATOM 0 H VAL A 77 7.420 -7.739 -12.992 1.00 0.00 H new ATOM 0 HA VAL A 77 9.928 -7.821 -11.511 1.00 0.00 H new ATOM 0 HB VAL A 77 9.175 -9.242 -14.096 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.932 -10.829 -13.422 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.567 -9.178 -13.615 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.274 -9.833 -11.987 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.599 -11.193 -12.720 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.827 -10.217 -11.249 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.528 -9.810 -12.395 1.00 0.00 H new ATOM 1222 N ILE A 78 11.055 -6.087 -12.915 1.00 0.00 N ATOM 1223 CA ILE A 78 11.897 -5.249 -13.746 1.00 0.00 C ATOM 1224 C ILE A 78 13.228 -5.946 -13.952 1.00 0.00 C ATOM 1225 O ILE A 78 13.695 -6.673 -13.085 1.00 0.00 O ATOM 1226 CB ILE A 78 12.146 -3.855 -13.126 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.868 -3.309 -12.481 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.657 -2.889 -14.186 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.652 -3.374 -13.371 1.00 0.00 C ATOM 0 H ILE A 78 11.198 -5.972 -11.912 1.00 0.00 H new ATOM 0 HA ILE A 78 11.380 -5.096 -14.693 1.00 0.00 H new ATOM 0 HB ILE A 78 12.904 -3.957 -12.349 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.667 -3.869 -11.568 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.036 -2.272 -12.189 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.828 -1.911 -13.735 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.592 -3.266 -14.601 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.918 -2.797 -14.982 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.791 -2.969 -12.840 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.830 -2.789 -14.274 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.455 -4.411 -13.643 1.00 0.00 H new ATOM 1241 N HIS A 79 13.814 -5.753 -15.107 1.00 0.00 N ATOM 1242 CA HIS A 79 15.095 -6.352 -15.430 1.00 0.00 C ATOM 1243 C HIS A 79 16.123 -5.253 -15.552 1.00 0.00 C ATOM 1244 O HIS A 79 15.997 -4.372 -16.402 1.00 0.00 O ATOM 1245 CB HIS A 79 15.024 -7.142 -16.746 1.00 0.00 C ATOM 1246 CG HIS A 79 14.025 -8.261 -16.737 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.330 -9.554 -17.100 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.709 -8.264 -16.422 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.246 -10.303 -17.009 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.248 -9.542 -16.600 1.00 0.00 N ATOM 0 H HIS A 79 13.421 -5.178 -15.852 1.00 0.00 H new ATOM 0 HA HIS A 79 15.371 -7.047 -14.637 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.777 -6.456 -17.556 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.010 -7.552 -16.965 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.129 -7.415 -16.091 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.186 -11.358 -17.231 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.290 -9.854 -16.442 1.00 0.00 H new ATOM 1259 N LEU A 80 17.105 -5.276 -14.679 1.00 0.00 N ATOM 1260 CA LEU A 80 18.184 -4.314 -14.742 1.00 0.00 C ATOM 1261 C LEU A 80 19.233 -4.807 -15.721 1.00 0.00 C ATOM 1262 O LEU A 80 19.619 -5.975 -15.691 1.00 0.00 O ATOM 1263 CB LEU A 80 18.817 -4.107 -13.366 1.00 0.00 C ATOM 1264 CG LEU A 80 20.097 -3.274 -13.372 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.831 -1.892 -13.928 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.684 -3.181 -11.978 1.00 0.00 C ATOM 0 H LEU A 80 17.179 -5.950 -13.917 1.00 0.00 H new ATOM 0 HA LEU A 80 17.781 -3.358 -15.076 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.088 -3.624 -12.715 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.036 -5.082 -12.931 1.00 0.00 H new ATOM 0 HG LEU A 80 20.822 -3.771 -14.016 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.755 -1.314 -13.924 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.460 -1.976 -14.949 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.086 -1.389 -13.312 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.595 -2.583 -12.006 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.962 -2.711 -11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.918 -4.182 -11.614 1.00 0.00 H new ATOM 1278 N ALA A 81 19.687 -3.926 -16.586 1.00 0.00 N ATOM 1279 CA ALA A 81 20.667 -4.301 -17.578 1.00 0.00 C ATOM 1280 C ALA A 81 21.596 -3.142 -17.893 1.00 0.00 C ATOM 1281 O ALA A 81 21.180 -1.982 -17.912 1.00 0.00 O ATOM 1282 CB ALA A 81 19.969 -4.784 -18.838 1.00 0.00 C ATOM 0 H ALA A 81 19.394 -2.950 -16.622 1.00 0.00 H new ATOM 0 HA ALA A 81 21.273 -5.113 -17.175 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.714 -5.065 -19.582 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.348 -5.648 -18.602 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.343 -3.986 -19.236 1.00 0.00 H new ATOM 1288 N LEU A 82 22.859 -3.458 -18.110 1.00 0.00 N ATOM 1289 CA LEU A 82 23.810 -2.468 -18.560 1.00 0.00 C ATOM 1290 C LEU A 82 23.571 -2.210 -20.038 1.00 0.00 C ATOM 1291 O LEU A 82 23.481 -3.153 -20.826 1.00 0.00 O ATOM 1292 CB LEU A 82 25.243 -2.937 -18.310 1.00 0.00 C ATOM 1293 CG LEU A 82 26.318 -1.880 -18.563 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.983 -0.595 -17.826 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.677 -2.392 -18.128 1.00 0.00 C ATOM 0 H LEU A 82 23.247 -4.393 -17.981 1.00 0.00 H new ATOM 0 HA LEU A 82 23.673 -1.543 -18.000 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.324 -3.277 -17.278 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.444 -3.799 -18.946 1.00 0.00 H new ATOM 0 HG LEU A 82 26.349 -1.671 -19.632 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.759 0.147 -18.017 1.00 0.00 H new ATOM 0 HD12 LEU A 82 25.023 -0.215 -18.176 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.927 -0.794 -16.756 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.431 -1.627 -18.315 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.654 -2.626 -17.064 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.925 -3.291 -18.692 1.00 0.00 H new ATOM 1307 N LYS A 83 23.461 -0.935 -20.398 1.00 0.00 N ATOM 1308 CA LYS A 83 23.010 -0.536 -21.728 1.00 0.00 C ATOM 1309 C LYS A 83 23.792 -1.210 -22.860 1.00 0.00 C ATOM 1310 O LYS A 83 23.209 -1.569 -23.886 1.00 0.00 O ATOM 1311 CB LYS A 83 23.072 0.977 -21.863 1.00 0.00 C ATOM 1312 CG LYS A 83 24.461 1.542 -22.070 1.00 0.00 C ATOM 1313 CD LYS A 83 24.528 2.956 -21.556 1.00 0.00 C ATOM 1314 CE LYS A 83 23.376 3.784 -22.088 1.00 0.00 C ATOM 1315 NZ LYS A 83 23.499 4.045 -23.548 1.00 0.00 N ATOM 0 H LYS A 83 23.680 -0.153 -19.781 1.00 0.00 H new ATOM 0 HA LYS A 83 21.979 -0.874 -21.828 1.00 0.00 H new ATOM 0 HB2 LYS A 83 22.444 1.278 -22.702 1.00 0.00 H new ATOM 0 HB3 LYS A 83 22.643 1.425 -20.967 1.00 0.00 H new ATOM 0 HG2 LYS A 83 25.194 0.924 -21.552 1.00 0.00 H new ATOM 0 HG3 LYS A 83 24.717 1.520 -23.129 1.00 0.00 H new ATOM 0 HD2 LYS A 83 24.504 2.952 -20.466 1.00 0.00 H new ATOM 0 HD3 LYS A 83 25.474 3.410 -21.852 1.00 0.00 H new ATOM 0 HE2 LYS A 83 22.437 3.266 -21.891 1.00 0.00 H new ATOM 0 HE3 LYS A 83 23.335 4.733 -21.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 22.690 4.614 -23.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 24.382 4.562 -23.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 23.512 3.141 -24.062 1.00 0.00 H new ATOM 1329 N GLU A 84 25.095 -1.391 -22.675 1.00 0.00 N ATOM 1330 CA GLU A 84 25.925 -2.004 -23.701 1.00 0.00 C ATOM 1331 C GLU A 84 27.234 -2.509 -23.114 1.00 0.00 C ATOM 1332 O GLU A 84 27.969 -1.757 -22.471 1.00 0.00 O ATOM 1333 CB GLU A 84 26.219 -1.002 -24.819 1.00 0.00 C ATOM 1334 CG GLU A 84 26.973 -1.603 -25.996 1.00 0.00 C ATOM 1335 CD GLU A 84 27.351 -0.567 -27.033 1.00 0.00 C ATOM 1336 OE1 GLU A 84 26.439 0.000 -27.671 1.00 0.00 O ATOM 1337 OE2 GLU A 84 28.560 -0.306 -27.207 1.00 0.00 O ATOM 0 H GLU A 84 25.596 -1.123 -21.828 1.00 0.00 H new ATOM 0 HA GLU A 84 25.376 -2.851 -24.111 1.00 0.00 H new ATOM 0 HB2 GLU A 84 25.278 -0.584 -25.177 1.00 0.00 H new ATOM 0 HB3 GLU A 84 26.800 -0.175 -24.410 1.00 0.00 H new ATOM 0 HG2 GLU A 84 27.875 -2.094 -25.632 1.00 0.00 H new ATOM 0 HG3 GLU A 84 26.358 -2.372 -26.463 1.00 0.00 H new ATOM 1344 N ARG A 85 27.509 -3.786 -23.322 1.00 0.00 N ATOM 1345 CA ARG A 85 28.798 -4.356 -22.960 1.00 0.00 C ATOM 1346 C ARG A 85 29.556 -4.764 -24.219 1.00 0.00 C ATOM 1347 O ARG A 85 30.571 -4.162 -24.574 1.00 0.00 O ATOM 1348 CB ARG A 85 28.626 -5.575 -22.050 1.00 0.00 C ATOM 1349 CG ARG A 85 29.944 -6.230 -21.661 1.00 0.00 C ATOM 1350 CD ARG A 85 29.789 -7.731 -21.467 1.00 0.00 C ATOM 1351 NE ARG A 85 29.291 -8.381 -22.680 1.00 0.00 N ATOM 1352 CZ ARG A 85 29.904 -9.388 -23.298 1.00 0.00 C ATOM 1353 NH1 ARG A 85 31.037 -9.883 -22.815 1.00 0.00 N ATOM 1354 NH2 ARG A 85 29.384 -9.893 -24.412 1.00 0.00 N ATOM 0 H ARG A 85 26.857 -4.449 -23.740 1.00 0.00 H new ATOM 0 HA ARG A 85 29.364 -3.598 -22.419 1.00 0.00 H new ATOM 0 HB2 ARG A 85 28.098 -5.272 -21.146 1.00 0.00 H new ATOM 0 HB3 ARG A 85 27.998 -6.310 -22.554 1.00 0.00 H new ATOM 0 HG2 ARG A 85 30.688 -6.038 -22.434 1.00 0.00 H new ATOM 0 HG3 ARG A 85 30.316 -5.780 -20.741 1.00 0.00 H new ATOM 0 HD2 ARG A 85 30.750 -8.164 -21.190 1.00 0.00 H new ATOM 0 HD3 ARG A 85 29.103 -7.923 -20.642 1.00 0.00 H new ATOM 0 HE ARG A 85 28.416 -8.040 -23.078 1.00 0.00 H new ATOM 0 HH11 ARG A 85 31.443 -9.492 -21.965 1.00 0.00 H new ATOM 0 HH12 ARG A 85 31.501 -10.655 -23.294 1.00 0.00 H new ATOM 0 HH21 ARG A 85 28.518 -9.509 -24.790 1.00 0.00 H new ATOM 0 HH22 ARG A 85 29.851 -10.665 -24.889 1.00 0.00 H new ATOM 1368 N GLY A 86 29.044 -5.778 -24.900 1.00 0.00 N ATOM 1369 CA GLY A 86 29.690 -6.282 -26.088 1.00 0.00 C ATOM 1370 C GLY A 86 28.849 -7.335 -26.772 1.00 0.00 C ATOM 1371 O GLY A 86 29.005 -7.535 -27.989 1.00 0.00 O ATOM 1372 OXT GLY A 86 28.008 -7.959 -26.091 1.00 0.00 O ATOM 0 H GLY A 86 28.184 -6.263 -24.645 1.00 0.00 H new ATOM 0 HA2 GLY A 86 29.877 -5.459 -26.778 1.00 0.00 H new ATOM 0 HA3 GLY A 86 30.660 -6.704 -25.825 1.00 0.00 H new TER 1376 GLY A 86