USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1418 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: B 55 LYS NZ :NH3+ -134:sc= 0.988 (180deg=0) USER MOD Set 1.2: B 59 THR OG1 : rot -130:sc= 0.832 USER MOD Set 2.1: B 15 HIS : no HD1:sc= -0.626 K(o=-0.71,f=-1.3!) USER MOD Set 2.2: B 16 GLN : amide:sc= -0.0864 X(o=-0.71,f=-0.59) USER MOD Set 3.1: A 81 THR OG1 : rot 80:sc= 0.558 USER MOD Set 3.2: B 7 MET CE :methyl -143:sc= -12.1! (180deg=-15.6!) USER MOD Set 4.1: A 78 SER OG : rot 58:sc= 0.178 USER MOD Set 4.2: B 78 SER OG : rot 57:sc= 0.123 USER MOD Set 5.1: A 55 LYS NZ :NH3+ -133:sc= 0.979 (180deg=0) USER MOD Set 5.2: A 59 THR OG1 : rot -130:sc= 0.851 USER MOD Set 6.1: A 15 HIS : no HD1:sc= -0.637 X(o=-0.76,f=-1.2) USER MOD Set 6.2: A 16 GLN : amide:sc= -0.121 X(o=-0.76,f=-0.6) USER MOD Set 7.1: A 7 MET CE :methyl -147:sc= -12.5! (180deg=-15.1!) USER MOD Set 7.2: B 81 THR OG1 : rot 81:sc= 0.574 USER MOD Single : A 0 MET CE :methyl -157:sc= -0.0321 (180deg=-0.949) USER MOD Single : A 0 MET N :NH3+ 166:sc= -0.353 (180deg=-0.967) USER MOD Single : A 1 SER OG : rot -164:sc= -1.01 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 120:sc= 1.28 USER MOD Single : A 18 SER OG : rot 160:sc= -1.53! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-0.63) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc=-0.00179 (180deg=-0.0336) USER MOD Single : A 30 SER OG : rot 58:sc= 0.966 USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= 0.00773 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.31! C(o=-1.3!,f=-5.5!) USER MOD Single : A 38 ASN : amide:sc=-0.00912 X(o=-0.0091,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.22) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.4!) USER MOD Single : A 57 MET CE :methyl 149:sc= -0.208 (180deg=-1.33!) USER MOD Single : A 68 CYS SG : rot -102:sc= -1.81! USER MOD Single : A 71 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.18) USER MOD Single : A 74 MET CE :methyl 151:sc= -6.17! (180deg=-7.64!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -59:sc= 1.21 USER MOD Single : A 84 CYS SG : rot -133:sc= 1.05 USER MOD Single : A 85 HIS : no HD1:sc= -4.87! K(o=-4.9!,f=-1.9) USER MOD Single : A 90 HIS : no HD1:sc= -0.858 X(o=-0.86,f=-0.39) USER MOD Single : B 0 MET CE :methyl -157:sc= -0.046 (180deg=-0.973) USER MOD Single : B 0 MET N :NH3+ 168:sc= -0.449 (180deg=-0.848) USER MOD Single : B 1 SER OG : rot -164:sc= -1 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 TYR OH : rot 127:sc= 1.22 USER MOD Single : B 18 SER OG : rot 4:sc= -1.6! USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= -1.85 K(o=-1.9,f=-0.6) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 156:sc= -0.0176 (180deg=-0.0437) USER MOD Single : B 30 SER OG : rot 107:sc= 0.953 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -1.28! C(o=-1.3!,f=-5.5!) USER MOD Single : B 38 ASN : amide:sc= -0.003 X(o=-0.003,f=0) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.425 X(o=-0.43,f=-0.25) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -0.17 K(o=-0.17,f=-2.4!) USER MOD Single : B 57 MET CE :methyl 149:sc= -0.167 (180deg=-1.31!) USER MOD Single : B 68 CYS SG : rot -92:sc= -1.73! USER MOD Single : B 71 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.18) USER MOD Single : B 74 MET CE :methyl 155:sc= -5.99! (180deg=-7.92!) USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot -101:sc= 1.23 USER MOD Single : B 84 CYS SG : rot -132:sc= 1.02 USER MOD Single : B 85 HIS : no HD1:sc= -4.76! K(o=-4.8!,f=-1.8) USER MOD Single : B 90 HIS : no HD1:sc= -0.793! X(o=-0.79!,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 6.682 6.103 -14.581 1.00 0.00 N ATOM 2 CA MET A 0 7.495 5.580 -15.715 1.00 0.00 C ATOM 3 C MET A 0 8.216 4.302 -15.281 1.00 0.00 C ATOM 4 O MET A 0 8.711 3.551 -16.098 1.00 0.00 O ATOM 5 CB MET A 0 8.523 6.633 -16.131 1.00 0.00 C ATOM 6 CG MET A 0 8.230 7.098 -17.557 1.00 0.00 C ATOM 7 SD MET A 0 9.734 7.794 -18.285 1.00 0.00 S ATOM 8 CE MET A 0 10.056 9.027 -17.001 1.00 0.00 C ATOM 0 H1 MET A 0 6.386 7.079 -14.787 1.00 0.00 H new ATOM 0 H2 MET A 0 5.840 5.506 -14.453 1.00 0.00 H new ATOM 0 H3 MET A 0 7.251 6.090 -13.711 1.00 0.00 H new ATOM 0 HA MET A 0 6.842 5.357 -16.559 1.00 0.00 H new ATOM 0 HB2 MET A 0 8.488 7.481 -15.447 1.00 0.00 H new ATOM 0 HB3 MET A 0 9.529 6.217 -16.072 1.00 0.00 H new ATOM 0 HG2 MET A 0 7.876 6.261 -18.158 1.00 0.00 H new ATOM 0 HG3 MET A 0 7.436 7.845 -17.552 1.00 0.00 H new ATOM 0 HE1 MET A 0 10.670 9.828 -17.412 1.00 0.00 H new ATOM 0 HE2 MET A 0 9.111 9.439 -16.647 1.00 0.00 H new ATOM 0 HE3 MET A 0 10.581 8.557 -16.169 1.00 0.00 H new ATOM 20 N SER A 1 8.281 4.050 -14.003 1.00 0.00 N ATOM 21 CA SER A 1 8.970 2.820 -13.522 1.00 0.00 C ATOM 22 C SER A 1 7.927 1.771 -13.132 1.00 0.00 C ATOM 23 O SER A 1 6.754 1.913 -13.415 1.00 0.00 O ATOM 24 CB SER A 1 9.835 3.159 -12.308 1.00 0.00 C ATOM 25 OG SER A 1 9.142 2.799 -11.121 1.00 0.00 O ATOM 0 H SER A 1 7.887 4.642 -13.272 1.00 0.00 H new ATOM 0 HA SER A 1 9.603 2.424 -14.316 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.785 2.627 -12.364 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.067 4.224 -12.298 1.00 0.00 H new ATOM 0 HG SER A 1 9.564 3.235 -10.351 1.00 0.00 H new ATOM 31 N GLU A 2 8.343 0.716 -12.487 1.00 0.00 N ATOM 32 CA GLU A 2 7.371 -0.340 -12.085 1.00 0.00 C ATOM 33 C GLU A 2 6.636 0.086 -10.817 1.00 0.00 C ATOM 34 O GLU A 2 5.435 0.257 -10.812 1.00 0.00 O ATOM 35 CB GLU A 2 8.118 -1.651 -11.815 1.00 0.00 C ATOM 36 CG GLU A 2 7.400 -2.822 -12.500 1.00 0.00 C ATOM 37 CD GLU A 2 5.880 -2.642 -12.409 1.00 0.00 C ATOM 38 OE1 GLU A 2 5.351 -2.753 -11.315 1.00 0.00 O ATOM 39 OE2 GLU A 2 5.272 -2.392 -13.436 1.00 0.00 O ATOM 0 H GLU A 2 9.312 0.540 -12.221 1.00 0.00 H new ATOM 0 HA GLU A 2 6.652 -0.485 -12.891 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.141 -1.577 -12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.177 -1.830 -10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.704 -2.882 -13.545 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.691 -3.761 -12.029 1.00 0.00 H new ATOM 46 N LEU A 3 7.347 0.248 -9.739 1.00 0.00 N ATOM 47 CA LEU A 3 6.695 0.654 -8.463 1.00 0.00 C ATOM 48 C LEU A 3 6.235 2.104 -8.556 1.00 0.00 C ATOM 49 O LEU A 3 5.110 2.437 -8.251 1.00 0.00 O ATOM 50 CB LEU A 3 7.705 0.536 -7.327 1.00 0.00 C ATOM 51 CG LEU A 3 6.984 0.687 -5.986 1.00 0.00 C ATOM 52 CD1 LEU A 3 6.498 -0.683 -5.511 1.00 0.00 C ATOM 53 CD2 LEU A 3 7.949 1.277 -4.955 1.00 0.00 C ATOM 0 H LEU A 3 8.357 0.116 -9.685 1.00 0.00 H new ATOM 0 HA LEU A 3 5.837 0.008 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.210 -0.429 -7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.473 1.303 -7.428 1.00 0.00 H new ATOM 0 HG LEU A 3 6.128 1.352 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.984 -0.576 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.811 -1.101 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.351 -1.350 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.438 1.386 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.805 0.613 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.293 2.254 -5.296 1.00 0.00 H new ATOM 65 N GLU A 4 7.109 2.973 -8.954 1.00 0.00 N ATOM 66 CA GLU A 4 6.738 4.411 -9.044 1.00 0.00 C ATOM 67 C GLU A 4 5.444 4.577 -9.846 1.00 0.00 C ATOM 68 O GLU A 4 4.626 5.419 -9.545 1.00 0.00 O ATOM 69 CB GLU A 4 7.866 5.186 -9.725 1.00 0.00 C ATOM 70 CG GLU A 4 7.467 6.655 -9.867 1.00 0.00 C ATOM 71 CD GLU A 4 6.611 6.834 -11.121 1.00 0.00 C ATOM 72 OE1 GLU A 4 6.700 5.991 -12.000 1.00 0.00 O ATOM 73 OE2 GLU A 4 5.882 7.809 -11.181 1.00 0.00 O ATOM 0 H GLU A 4 8.068 2.754 -9.223 1.00 0.00 H new ATOM 0 HA GLU A 4 6.580 4.800 -8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.782 5.103 -9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.074 4.759 -10.706 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.912 6.979 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.358 7.280 -9.930 1.00 0.00 H new ATOM 80 N LYS A 5 5.249 3.793 -10.869 1.00 0.00 N ATOM 81 CA LYS A 5 4.004 3.932 -11.674 1.00 0.00 C ATOM 82 C LYS A 5 2.850 3.205 -10.975 1.00 0.00 C ATOM 83 O LYS A 5 1.723 3.659 -10.981 1.00 0.00 O ATOM 84 CB LYS A 5 4.231 3.332 -13.063 1.00 0.00 C ATOM 85 CG LYS A 5 2.888 3.145 -13.767 1.00 0.00 C ATOM 86 CD LYS A 5 2.509 1.665 -13.741 1.00 0.00 C ATOM 87 CE LYS A 5 1.827 1.290 -15.057 1.00 0.00 C ATOM 88 NZ LYS A 5 2.858 0.887 -16.054 1.00 0.00 N ATOM 0 H LYS A 5 5.893 3.066 -11.181 1.00 0.00 H new ATOM 0 HA LYS A 5 3.749 4.987 -11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.874 3.986 -13.652 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.744 2.374 -12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.119 3.738 -13.273 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.951 3.499 -14.796 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.399 1.053 -13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.841 1.464 -12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.124 0.473 -14.895 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.252 2.135 -15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.394 0.632 -16.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.512 1.679 -16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.388 0.068 -15.693 1.00 0.00 H new ATOM 102 N ALA A 6 3.122 2.078 -10.377 1.00 0.00 N ATOM 103 CA ALA A 6 2.043 1.315 -9.683 1.00 0.00 C ATOM 104 C ALA A 6 1.784 1.922 -8.302 1.00 0.00 C ATOM 105 O ALA A 6 0.749 2.507 -8.054 1.00 0.00 O ATOM 106 CB ALA A 6 2.474 -0.145 -9.528 1.00 0.00 C ATOM 0 H ALA A 6 4.047 1.650 -10.338 1.00 0.00 H new ATOM 0 HA ALA A 6 1.128 1.366 -10.273 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.688 -0.705 -9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.651 -0.578 -10.512 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.390 -0.193 -8.940 1.00 0.00 H new ATOM 112 N MET A 7 2.716 1.783 -7.400 1.00 0.00 N ATOM 113 CA MET A 7 2.531 2.345 -6.034 1.00 0.00 C ATOM 114 C MET A 7 1.917 3.738 -6.133 1.00 0.00 C ATOM 115 O MET A 7 0.919 4.045 -5.505 1.00 0.00 O ATOM 116 CB MET A 7 3.893 2.445 -5.340 1.00 0.00 C ATOM 117 CG MET A 7 3.743 3.212 -4.020 1.00 0.00 C ATOM 118 SD MET A 7 2.313 2.582 -3.103 1.00 0.00 S ATOM 119 CE MET A 7 2.958 2.879 -1.442 1.00 0.00 C ATOM 0 H MET A 7 3.602 1.302 -7.552 1.00 0.00 H new ATOM 0 HA MET A 7 1.870 1.695 -5.461 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.290 1.448 -5.150 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.606 2.953 -5.989 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.647 3.103 -3.421 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.619 4.276 -4.219 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.590 2.107 -0.766 1.00 0.00 H new ATOM 0 HE2 MET A 7 4.047 2.853 -1.465 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.626 3.856 -1.092 1.00 0.00 H new ATOM 129 N VAL A 8 2.509 4.585 -6.920 1.00 0.00 N ATOM 130 CA VAL A 8 1.968 5.962 -7.064 1.00 0.00 C ATOM 131 C VAL A 8 0.597 5.897 -7.739 1.00 0.00 C ATOM 132 O VAL A 8 -0.300 6.649 -7.413 1.00 0.00 O ATOM 133 CB VAL A 8 2.929 6.802 -7.902 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.499 8.269 -7.856 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.344 6.673 -7.334 1.00 0.00 C ATOM 0 H VAL A 8 3.344 4.385 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 8 1.861 6.422 -6.082 1.00 0.00 H new ATOM 0 HB VAL A 8 2.914 6.449 -8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.185 8.868 -8.454 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.490 8.365 -8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.515 8.621 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.032 7.272 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.356 7.027 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.654 5.628 -7.363 1.00 0.00 H new ATOM 145 N ALA A 9 0.417 4.995 -8.668 1.00 0.00 N ATOM 146 CA ALA A 9 -0.909 4.884 -9.338 1.00 0.00 C ATOM 147 C ALA A 9 -1.984 4.753 -8.262 1.00 0.00 C ATOM 148 O ALA A 9 -3.041 5.344 -8.350 1.00 0.00 O ATOM 149 CB ALA A 9 -0.931 3.650 -10.245 1.00 0.00 C ATOM 0 H ALA A 9 1.126 4.336 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.095 5.769 -9.947 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.903 3.574 -10.732 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.152 3.741 -11.002 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.754 2.756 -9.647 1.00 0.00 H new ATOM 155 N LEU A 10 -1.712 3.997 -7.233 1.00 0.00 N ATOM 156 CA LEU A 10 -2.709 3.851 -6.141 1.00 0.00 C ATOM 157 C LEU A 10 -3.045 5.247 -5.623 1.00 0.00 C ATOM 158 O LEU A 10 -4.195 5.598 -5.442 1.00 0.00 O ATOM 159 CB LEU A 10 -2.113 3.012 -5.009 1.00 0.00 C ATOM 160 CG LEU A 10 -3.178 2.061 -4.463 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.506 0.960 -3.643 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.147 2.840 -3.571 1.00 0.00 C ATOM 0 H LEU A 10 -0.844 3.477 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.607 3.355 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.257 2.445 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.749 3.662 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.726 1.614 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.265 0.282 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.814 0.405 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.959 1.407 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.907 2.163 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.599 3.287 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.626 3.626 -4.154 1.00 0.00 H new ATOM 174 N ILE A 11 -2.044 6.056 -5.406 1.00 0.00 N ATOM 175 CA ILE A 11 -2.295 7.443 -4.926 1.00 0.00 C ATOM 176 C ILE A 11 -3.308 8.099 -5.869 1.00 0.00 C ATOM 177 O ILE A 11 -4.153 8.870 -5.457 1.00 0.00 O ATOM 178 CB ILE A 11 -0.960 8.216 -4.924 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.343 8.144 -3.525 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.165 9.690 -5.305 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.164 8.395 -3.618 1.00 0.00 C ATOM 0 H ILE A 11 -1.062 5.815 -5.541 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.698 7.445 -3.913 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.299 7.760 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.806 8.885 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.533 7.166 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.205 10.206 -5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.598 9.751 -6.303 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.838 10.161 -4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.604 8.344 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.620 7.638 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.343 9.383 -4.043 1.00 0.00 H new ATOM 193 N ASP A 12 -3.224 7.796 -7.134 1.00 0.00 N ATOM 194 CA ASP A 12 -4.171 8.394 -8.114 1.00 0.00 C ATOM 195 C ASP A 12 -5.609 8.040 -7.728 1.00 0.00 C ATOM 196 O ASP A 12 -6.443 8.905 -7.546 1.00 0.00 O ATOM 197 CB ASP A 12 -3.866 7.842 -9.509 1.00 0.00 C ATOM 198 CG ASP A 12 -4.524 8.729 -10.567 1.00 0.00 C ATOM 199 OD1 ASP A 12 -4.227 9.912 -10.589 1.00 0.00 O ATOM 200 OD2 ASP A 12 -5.314 8.210 -11.338 1.00 0.00 O ATOM 0 H ASP A 12 -2.536 7.157 -7.533 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.057 9.478 -8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.788 7.806 -9.669 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.236 6.820 -9.596 1.00 0.00 H new ATOM 205 N VAL A 13 -5.909 6.776 -7.605 1.00 0.00 N ATOM 206 CA VAL A 13 -7.297 6.375 -7.236 1.00 0.00 C ATOM 207 C VAL A 13 -7.785 7.230 -6.065 1.00 0.00 C ATOM 208 O VAL A 13 -8.958 7.526 -5.947 1.00 0.00 O ATOM 209 CB VAL A 13 -7.322 4.900 -6.828 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.705 4.548 -6.282 1.00 0.00 C ATOM 211 CG2 VAL A 13 -7.030 4.026 -8.047 1.00 0.00 C ATOM 0 H VAL A 13 -5.255 6.005 -7.744 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.950 6.524 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.566 4.725 -6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.725 3.498 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.922 5.170 -5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.456 4.725 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.048 2.976 -7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.787 4.203 -8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.046 4.275 -8.446 1.00 0.00 H new ATOM 221 N PHE A 14 -6.898 7.630 -5.196 1.00 0.00 N ATOM 222 CA PHE A 14 -7.315 8.463 -4.032 1.00 0.00 C ATOM 223 C PHE A 14 -7.890 9.791 -4.528 1.00 0.00 C ATOM 224 O PHE A 14 -8.938 10.226 -4.095 1.00 0.00 O ATOM 225 CB PHE A 14 -6.101 8.736 -3.144 1.00 0.00 C ATOM 226 CG PHE A 14 -6.561 9.302 -1.821 1.00 0.00 C ATOM 227 CD1 PHE A 14 -6.828 10.670 -1.699 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.719 8.457 -0.718 1.00 0.00 C ATOM 229 CE1 PHE A 14 -7.252 11.194 -0.471 1.00 0.00 C ATOM 230 CE2 PHE A 14 -7.143 8.980 0.509 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.410 10.348 0.632 1.00 0.00 C ATOM 0 H PHE A 14 -5.902 7.416 -5.241 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.076 7.931 -3.461 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.541 7.815 -2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.427 9.437 -3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.707 11.322 -2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.514 7.401 -0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.457 12.250 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.264 8.328 1.361 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.738 10.751 1.579 1.00 0.00 H new ATOM 241 N HIS A 15 -7.209 10.443 -5.430 1.00 0.00 N ATOM 242 CA HIS A 15 -7.714 11.745 -5.949 1.00 0.00 C ATOM 243 C HIS A 15 -8.877 11.487 -6.920 1.00 0.00 C ATOM 244 O HIS A 15 -9.485 12.405 -7.430 1.00 0.00 O ATOM 245 CB HIS A 15 -6.548 12.491 -6.636 1.00 0.00 C ATOM 246 CG HIS A 15 -6.901 12.902 -8.043 1.00 0.00 C ATOM 247 ND1 HIS A 15 -6.928 11.996 -9.091 1.00 0.00 N ATOM 248 CD2 HIS A 15 -7.239 14.116 -8.586 1.00 0.00 C ATOM 249 CE1 HIS A 15 -7.270 12.673 -10.202 1.00 0.00 C ATOM 250 NE2 HIS A 15 -7.471 13.970 -9.949 1.00 0.00 N ATOM 0 H HIS A 15 -6.324 10.130 -5.830 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.089 12.368 -5.137 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.288 13.375 -6.053 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.666 11.850 -6.654 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.313 15.044 -8.038 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.370 12.224 -11.179 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.737 14.697 -10.613 1.00 0.00 H new ATOM 258 N GLN A 16 -9.189 10.245 -7.173 1.00 0.00 N ATOM 259 CA GLN A 16 -10.311 9.933 -8.101 1.00 0.00 C ATOM 260 C GLN A 16 -11.577 9.664 -7.285 1.00 0.00 C ATOM 261 O GLN A 16 -12.678 9.952 -7.710 1.00 0.00 O ATOM 262 CB GLN A 16 -9.958 8.690 -8.922 1.00 0.00 C ATOM 263 CG GLN A 16 -10.313 8.928 -10.390 1.00 0.00 C ATOM 264 CD GLN A 16 -9.037 8.894 -11.232 1.00 0.00 C ATOM 265 OE1 GLN A 16 -8.952 8.162 -12.199 1.00 0.00 O ATOM 266 NE2 GLN A 16 -8.032 9.658 -10.902 1.00 0.00 N ATOM 0 H GLN A 16 -8.715 9.433 -6.777 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.480 10.775 -8.772 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.895 8.468 -8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.500 7.824 -8.542 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.010 8.165 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.812 9.891 -10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.103 10.272 -10.091 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.175 9.641 -11.455 1.00 0.00 H new ATOM 275 N TYR A 17 -11.424 9.120 -6.111 1.00 0.00 N ATOM 276 CA TYR A 17 -12.608 8.834 -5.255 1.00 0.00 C ATOM 277 C TYR A 17 -12.706 9.897 -4.158 1.00 0.00 C ATOM 278 O TYR A 17 -13.703 10.576 -4.026 1.00 0.00 O ATOM 279 CB TYR A 17 -12.457 7.453 -4.615 1.00 0.00 C ATOM 280 CG TYR A 17 -12.963 6.391 -5.563 1.00 0.00 C ATOM 281 CD1 TYR A 17 -12.826 6.562 -6.945 1.00 0.00 C ATOM 282 CD2 TYR A 17 -13.571 5.236 -5.058 1.00 0.00 C ATOM 283 CE1 TYR A 17 -13.297 5.577 -7.822 1.00 0.00 C ATOM 284 CE2 TYR A 17 -14.042 4.252 -5.934 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.906 4.422 -7.316 1.00 0.00 C ATOM 286 OH TYR A 17 -14.371 3.450 -8.180 1.00 0.00 O ATOM 0 H TYR A 17 -10.525 8.860 -5.705 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.511 8.852 -5.865 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.411 7.267 -4.372 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.014 7.413 -3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.357 7.453 -7.335 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -13.677 5.104 -3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.191 5.708 -8.889 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -14.511 3.361 -5.543 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.905 2.606 -8.004 1.00 0.00 H new ATOM 296 N SER A 18 -11.672 10.046 -3.369 1.00 0.00 N ATOM 297 CA SER A 18 -11.702 11.069 -2.282 1.00 0.00 C ATOM 298 C SER A 18 -12.317 12.358 -2.822 1.00 0.00 C ATOM 299 O SER A 18 -12.996 13.080 -2.119 1.00 0.00 O ATOM 300 CB SER A 18 -10.276 11.349 -1.805 1.00 0.00 C ATOM 301 OG SER A 18 -10.315 11.853 -0.474 1.00 0.00 O ATOM 0 H SER A 18 -10.810 9.504 -3.431 1.00 0.00 H new ATOM 0 HA SER A 18 -12.298 10.698 -1.448 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.682 10.436 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.795 12.070 -2.465 1.00 0.00 H new ATOM 0 HG SER A 18 -9.439 11.732 -0.053 1.00 0.00 H new ATOM 307 N GLY A 19 -12.083 12.650 -4.071 1.00 0.00 N ATOM 308 CA GLY A 19 -12.651 13.889 -4.665 1.00 0.00 C ATOM 309 C GLY A 19 -14.150 13.703 -4.893 1.00 0.00 C ATOM 310 O GLY A 19 -14.923 13.600 -3.962 1.00 0.00 O ATOM 0 H GLY A 19 -11.522 12.082 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.475 14.736 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.154 14.114 -5.609 1.00 0.00 H new ATOM 314 N ARG A 20 -14.568 13.663 -6.128 1.00 0.00 N ATOM 315 CA ARG A 20 -16.020 13.489 -6.420 1.00 0.00 C ATOM 316 C ARG A 20 -16.832 14.479 -5.581 1.00 0.00 C ATOM 317 O ARG A 20 -18.004 14.280 -5.331 1.00 0.00 O ATOM 318 CB ARG A 20 -16.445 12.059 -6.077 1.00 0.00 C ATOM 319 CG ARG A 20 -15.682 11.070 -6.960 1.00 0.00 C ATOM 320 CD ARG A 20 -16.359 9.699 -6.895 1.00 0.00 C ATOM 321 NE ARG A 20 -16.748 9.268 -8.267 1.00 0.00 N ATOM 322 CZ ARG A 20 -17.459 8.187 -8.437 1.00 0.00 C ATOM 323 NH1 ARG A 20 -18.452 7.930 -7.632 1.00 0.00 N ATOM 324 NH2 ARG A 20 -17.175 7.361 -9.406 1.00 0.00 N ATOM 0 H ARG A 20 -13.967 13.743 -6.948 1.00 0.00 H new ATOM 0 HA ARG A 20 -16.201 13.676 -7.479 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -16.245 11.852 -5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.518 11.942 -6.227 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.660 11.428 -7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.647 10.992 -6.627 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.682 8.969 -6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.240 9.747 -6.255 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.458 9.819 -9.075 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.672 8.573 -6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.009 7.086 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.395 7.559 -10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.732 6.517 -9.536 1.00 0.00 H new ATOM 338 N GLU A 21 -16.217 15.544 -5.142 1.00 0.00 N ATOM 339 CA GLU A 21 -16.947 16.542 -4.320 1.00 0.00 C ATOM 340 C GLU A 21 -16.167 17.857 -4.310 1.00 0.00 C ATOM 341 O GLU A 21 -16.569 18.833 -4.910 1.00 0.00 O ATOM 342 CB GLU A 21 -17.073 16.017 -2.895 1.00 0.00 C ATOM 343 CG GLU A 21 -18.548 15.832 -2.554 1.00 0.00 C ATOM 344 CD GLU A 21 -19.175 17.189 -2.229 1.00 0.00 C ATOM 345 OE1 GLU A 21 -18.649 17.870 -1.365 1.00 0.00 O ATOM 346 OE2 GLU A 21 -20.170 17.522 -2.850 1.00 0.00 O ATOM 0 H GLU A 21 -15.237 15.763 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.939 16.711 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.544 15.069 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.611 16.714 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.070 15.371 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.653 15.159 -1.703 1.00 0.00 H new ATOM 353 N GLY A 22 -15.053 17.890 -3.631 1.00 0.00 N ATOM 354 CA GLY A 22 -14.246 19.143 -3.583 1.00 0.00 C ATOM 355 C GLY A 22 -13.073 18.969 -2.620 1.00 0.00 C ATOM 356 O GLY A 22 -11.961 19.368 -2.904 1.00 0.00 O ATOM 0 H GLY A 22 -14.667 17.104 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.877 19.387 -4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.871 19.976 -3.262 1.00 0.00 H new ATOM 360 N ASP A 23 -13.310 18.382 -1.483 1.00 0.00 N ATOM 361 CA ASP A 23 -12.208 18.189 -0.500 1.00 0.00 C ATOM 362 C ASP A 23 -10.996 17.568 -1.201 1.00 0.00 C ATOM 363 O ASP A 23 -9.952 18.178 -1.308 1.00 0.00 O ATOM 364 CB ASP A 23 -12.672 17.270 0.635 1.00 0.00 C ATOM 365 CG ASP A 23 -13.751 16.306 0.135 1.00 0.00 C ATOM 366 OD1 ASP A 23 -14.908 16.692 0.132 1.00 0.00 O ATOM 367 OD2 ASP A 23 -13.403 15.195 -0.230 1.00 0.00 O ATOM 0 H ASP A 23 -14.220 18.026 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.930 19.157 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.824 16.706 1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.063 17.868 1.458 1.00 0.00 H new ATOM 372 N LYS A 24 -11.126 16.362 -1.682 1.00 0.00 N ATOM 373 CA LYS A 24 -9.980 15.709 -2.377 1.00 0.00 C ATOM 374 C LYS A 24 -8.782 15.619 -1.429 1.00 0.00 C ATOM 375 O LYS A 24 -7.647 15.533 -1.857 1.00 0.00 O ATOM 376 CB LYS A 24 -9.592 16.535 -3.606 1.00 0.00 C ATOM 377 CG LYS A 24 -10.842 16.847 -4.431 1.00 0.00 C ATOM 378 CD LYS A 24 -10.458 17.700 -5.641 1.00 0.00 C ATOM 379 CE LYS A 24 -9.650 16.854 -6.628 1.00 0.00 C ATOM 380 NZ LYS A 24 -9.669 17.501 -7.969 1.00 0.00 N ATOM 0 H LYS A 24 -11.976 15.801 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.272 14.705 -2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.108 17.461 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.871 15.986 -4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.313 15.921 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.572 17.375 -3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.355 18.086 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.873 18.562 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.623 16.749 -6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.069 15.850 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.120 16.926 -8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.651 17.579 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.249 18.450 -7.902 1.00 0.00 H new ATOM 394 N HIS A 25 -9.018 15.641 -0.145 1.00 0.00 N ATOM 395 CA HIS A 25 -7.883 15.561 0.819 1.00 0.00 C ATOM 396 C HIS A 25 -8.285 14.712 2.029 1.00 0.00 C ATOM 397 O HIS A 25 -7.573 14.641 3.011 1.00 0.00 O ATOM 398 CB HIS A 25 -7.511 16.971 1.285 1.00 0.00 C ATOM 399 CG HIS A 25 -6.590 17.605 0.281 1.00 0.00 C ATOM 400 ND1 HIS A 25 -6.467 18.981 0.157 1.00 0.00 N ATOM 401 CD2 HIS A 25 -5.742 17.067 -0.656 1.00 0.00 C ATOM 402 CE1 HIS A 25 -5.576 19.221 -0.821 1.00 0.00 C ATOM 403 NE2 HIS A 25 -5.103 18.089 -1.350 1.00 0.00 N ATOM 0 H HIS A 25 -9.944 15.711 0.277 1.00 0.00 H new ATOM 0 HA HIS A 25 -7.026 15.100 0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.410 17.576 1.402 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.027 16.927 2.261 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.594 16.011 -0.828 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.279 20.209 -1.140 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.420 17.995 -2.102 1.00 0.00 H new ATOM 411 N LYS A 26 -9.418 14.066 1.967 1.00 0.00 N ATOM 412 CA LYS A 26 -9.861 13.220 3.112 1.00 0.00 C ATOM 413 C LYS A 26 -10.722 12.073 2.584 1.00 0.00 C ATOM 414 O LYS A 26 -11.576 12.263 1.742 1.00 0.00 O ATOM 415 CB LYS A 26 -10.683 14.066 4.085 1.00 0.00 C ATOM 416 CG LYS A 26 -11.962 14.540 3.393 1.00 0.00 C ATOM 417 CD LYS A 26 -13.119 13.609 3.762 1.00 0.00 C ATOM 418 CE LYS A 26 -14.267 14.429 4.353 1.00 0.00 C ATOM 419 NZ LYS A 26 -14.047 14.608 5.815 1.00 0.00 N ATOM 0 H LYS A 26 -10.057 14.088 1.172 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.990 12.819 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.931 13.482 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.099 14.923 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.193 15.562 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.821 14.551 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.461 13.069 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.783 12.862 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.325 15.400 3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.217 13.925 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.827 15.165 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.012 13.677 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.148 15.107 5.972 1.00 0.00 H new ATOM 433 N LEU A 27 -10.510 10.883 3.071 1.00 0.00 N ATOM 434 CA LEU A 27 -11.322 9.732 2.592 1.00 0.00 C ATOM 435 C LEU A 27 -12.452 9.457 3.581 1.00 0.00 C ATOM 436 O LEU A 27 -12.726 10.246 4.463 1.00 0.00 O ATOM 437 CB LEU A 27 -10.435 8.491 2.476 1.00 0.00 C ATOM 438 CG LEU A 27 -10.415 8.011 1.025 1.00 0.00 C ATOM 439 CD1 LEU A 27 -11.771 7.399 0.670 1.00 0.00 C ATOM 440 CD2 LEU A 27 -10.135 9.199 0.104 1.00 0.00 C ATOM 0 H LEU A 27 -9.811 10.658 3.779 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.743 9.970 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.423 8.722 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.810 7.701 3.126 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.635 7.259 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.756 7.057 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.973 6.554 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.552 8.149 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.120 8.861 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.916 9.949 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.169 9.636 0.357 1.00 0.00 H new ATOM 452 N LYS A 28 -13.106 8.340 3.441 1.00 0.00 N ATOM 453 CA LYS A 28 -14.215 7.997 4.368 1.00 0.00 C ATOM 454 C LYS A 28 -14.299 6.477 4.488 1.00 0.00 C ATOM 455 O LYS A 28 -14.330 5.774 3.502 1.00 0.00 O ATOM 456 CB LYS A 28 -15.533 8.543 3.819 1.00 0.00 C ATOM 457 CG LYS A 28 -16.191 9.426 4.879 1.00 0.00 C ATOM 458 CD LYS A 28 -17.195 10.370 4.215 1.00 0.00 C ATOM 459 CE LYS A 28 -18.616 9.965 4.614 1.00 0.00 C ATOM 460 NZ LYS A 28 -19.468 11.183 4.724 1.00 0.00 N ATOM 0 H LYS A 28 -12.918 7.645 2.718 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.030 8.438 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.352 9.118 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.197 7.722 3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.696 8.806 5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.432 10.002 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.000 11.398 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.085 10.331 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.033 9.283 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.600 9.432 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.434 10.908 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.073 11.819 5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.492 11.674 3.807 1.00 0.00 H new ATOM 474 N LYS A 29 -14.323 5.961 5.683 1.00 0.00 N ATOM 475 CA LYS A 29 -14.391 4.478 5.852 1.00 0.00 C ATOM 476 C LYS A 29 -15.410 3.880 4.874 1.00 0.00 C ATOM 477 O LYS A 29 -15.332 2.720 4.523 1.00 0.00 O ATOM 478 CB LYS A 29 -14.792 4.124 7.291 1.00 0.00 C ATOM 479 CG LYS A 29 -15.569 5.278 7.930 1.00 0.00 C ATOM 480 CD LYS A 29 -16.193 4.803 9.242 1.00 0.00 C ATOM 481 CE LYS A 29 -15.354 5.304 10.417 1.00 0.00 C ATOM 482 NZ LYS A 29 -14.727 4.142 11.109 1.00 0.00 N ATOM 0 H LYS A 29 -14.299 6.497 6.550 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.406 4.061 5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.403 3.221 7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.901 3.907 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.903 6.121 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.346 5.628 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.214 5.174 9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.247 3.714 9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.584 5.989 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.980 5.862 11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.839 4.443 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.376 3.779 11.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.528 3.392 10.417 1.00 0.00 H new ATOM 496 N SER A 30 -16.364 4.651 4.431 1.00 0.00 N ATOM 497 CA SER A 30 -17.375 4.104 3.479 1.00 0.00 C ATOM 498 C SER A 30 -16.774 4.023 2.072 1.00 0.00 C ATOM 499 O SER A 30 -16.919 3.031 1.385 1.00 0.00 O ATOM 500 CB SER A 30 -18.601 5.015 3.461 1.00 0.00 C ATOM 501 OG SER A 30 -19.533 4.569 4.436 1.00 0.00 O ATOM 0 H SER A 30 -16.488 5.631 4.684 1.00 0.00 H new ATOM 0 HA SER A 30 -17.668 3.104 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 30 -18.306 6.044 3.667 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.060 5.007 2.472 1.00 0.00 H new ATOM 0 HG SER A 30 -19.108 4.569 5.319 1.00 0.00 H new ATOM 507 N GLU A 31 -16.099 5.052 1.636 1.00 0.00 N ATOM 508 CA GLU A 31 -15.491 5.015 0.278 1.00 0.00 C ATOM 509 C GLU A 31 -14.269 4.106 0.314 1.00 0.00 C ATOM 510 O GLU A 31 -13.769 3.679 -0.706 1.00 0.00 O ATOM 511 CB GLU A 31 -15.074 6.428 -0.139 1.00 0.00 C ATOM 512 CG GLU A 31 -14.631 6.418 -1.602 1.00 0.00 C ATOM 513 CD GLU A 31 -15.649 7.184 -2.448 1.00 0.00 C ATOM 514 OE1 GLU A 31 -15.664 8.401 -2.364 1.00 0.00 O ATOM 515 OE2 GLU A 31 -16.397 6.541 -3.165 1.00 0.00 O ATOM 0 H GLU A 31 -15.943 5.913 2.160 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.214 4.634 -0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.906 7.119 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.261 6.781 0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.646 6.874 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.543 5.392 -1.960 1.00 0.00 H new ATOM 522 N LEU A 32 -13.796 3.787 1.485 1.00 0.00 N ATOM 523 CA LEU A 32 -12.630 2.877 1.593 1.00 0.00 C ATOM 524 C LEU A 32 -13.154 1.453 1.463 1.00 0.00 C ATOM 525 O LEU A 32 -12.648 0.653 0.705 1.00 0.00 O ATOM 526 CB LEU A 32 -11.953 3.058 2.953 1.00 0.00 C ATOM 527 CG LEU A 32 -10.971 1.912 3.188 1.00 0.00 C ATOM 528 CD1 LEU A 32 -9.965 1.856 2.038 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.227 2.142 4.505 1.00 0.00 C ATOM 0 H LEU A 32 -14.170 4.120 2.374 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.898 3.093 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.429 4.013 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.702 3.078 3.745 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.517 0.970 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.265 1.038 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.494 1.693 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.418 2.797 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.526 1.325 4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.681 3.084 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.943 2.181 5.326 1.00 0.00 H new ATOM 541 N LYS A 33 -14.192 1.149 2.191 1.00 0.00 N ATOM 542 CA LYS A 33 -14.799 -0.207 2.122 1.00 0.00 C ATOM 543 C LYS A 33 -15.053 -0.557 0.660 1.00 0.00 C ATOM 544 O LYS A 33 -14.799 -1.660 0.214 1.00 0.00 O ATOM 545 CB LYS A 33 -16.126 -0.187 2.880 1.00 0.00 C ATOM 546 CG LYS A 33 -16.515 -1.610 3.283 1.00 0.00 C ATOM 547 CD LYS A 33 -18.033 -1.694 3.459 1.00 0.00 C ATOM 548 CE LYS A 33 -18.462 -0.813 4.635 1.00 0.00 C ATOM 549 NZ LYS A 33 -19.753 -1.315 5.185 1.00 0.00 N ATOM 0 H LYS A 33 -14.650 1.791 2.838 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.132 -0.947 2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.039 0.441 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.905 0.250 2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.187 -2.318 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.015 -1.886 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.534 -1.370 2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.332 -2.727 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.695 -0.823 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.571 0.221 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.802 -1.105 6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.543 -0.848 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.816 -2.343 5.040 1.00 0.00 H new ATOM 563 N GLU A 34 -15.544 0.385 -0.093 1.00 0.00 N ATOM 564 CA GLU A 34 -15.810 0.132 -1.531 1.00 0.00 C ATOM 565 C GLU A 34 -14.474 0.114 -2.272 1.00 0.00 C ATOM 566 O GLU A 34 -14.208 -0.737 -3.095 1.00 0.00 O ATOM 567 CB GLU A 34 -16.723 1.247 -2.071 1.00 0.00 C ATOM 568 CG GLU A 34 -15.900 2.472 -2.480 1.00 0.00 C ATOM 569 CD GLU A 34 -16.796 3.457 -3.233 1.00 0.00 C ATOM 570 OE1 GLU A 34 -17.689 4.009 -2.613 1.00 0.00 O ATOM 571 OE2 GLU A 34 -16.572 3.643 -4.417 1.00 0.00 O ATOM 0 H GLU A 34 -15.773 1.325 0.230 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.309 -0.826 -1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -17.286 0.879 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -17.450 1.529 -1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.476 2.951 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.064 2.168 -3.110 1.00 0.00 H new ATOM 578 N LEU A 35 -13.631 1.053 -1.963 1.00 0.00 N ATOM 579 CA LEU A 35 -12.298 1.118 -2.618 1.00 0.00 C ATOM 580 C LEU A 35 -11.701 -0.288 -2.683 1.00 0.00 C ATOM 581 O LEU A 35 -11.117 -0.682 -3.673 1.00 0.00 O ATOM 582 CB LEU A 35 -11.386 2.028 -1.792 1.00 0.00 C ATOM 583 CG LEU A 35 -10.548 2.901 -2.726 1.00 0.00 C ATOM 584 CD1 LEU A 35 -9.598 2.020 -3.539 1.00 0.00 C ATOM 585 CD2 LEU A 35 -11.473 3.663 -3.674 1.00 0.00 C ATOM 0 H LEU A 35 -13.809 1.787 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.395 1.515 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.984 2.655 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.734 1.427 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.967 3.609 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.002 2.645 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.938 1.476 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.176 1.310 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.877 4.286 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.055 2.954 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.148 4.293 -3.095 1.00 0.00 H new ATOM 597 N ILE A 36 -11.845 -1.048 -1.633 1.00 0.00 N ATOM 598 CA ILE A 36 -11.286 -2.427 -1.631 1.00 0.00 C ATOM 599 C ILE A 36 -12.228 -3.373 -2.377 1.00 0.00 C ATOM 600 O ILE A 36 -11.879 -3.939 -3.393 1.00 0.00 O ATOM 601 CB ILE A 36 -11.122 -2.921 -0.190 1.00 0.00 C ATOM 602 CG1 ILE A 36 -10.866 -1.728 0.740 1.00 0.00 C ATOM 603 CG2 ILE A 36 -9.941 -3.891 -0.124 1.00 0.00 C ATOM 604 CD1 ILE A 36 -10.274 -2.216 2.065 1.00 0.00 C ATOM 0 H ILE A 36 -12.326 -0.773 -0.777 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.315 -2.411 -2.126 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.032 -3.430 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.183 -1.025 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.798 -1.193 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.819 -4.246 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.129 -4.739 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.032 -3.380 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.095 -1.363 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.972 -2.902 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.332 -2.731 1.875 1.00 0.00 H new ATOM 616 N ASN A 37 -13.419 -3.560 -1.877 1.00 0.00 N ATOM 617 CA ASN A 37 -14.368 -4.484 -2.553 1.00 0.00 C ATOM 618 C ASN A 37 -14.769 -3.921 -3.919 1.00 0.00 C ATOM 619 O ASN A 37 -14.526 -4.522 -4.945 1.00 0.00 O ATOM 620 CB ASN A 37 -15.617 -4.658 -1.688 1.00 0.00 C ATOM 621 CG ASN A 37 -16.544 -5.692 -2.330 1.00 0.00 C ATOM 622 OD1 ASN A 37 -16.721 -5.703 -3.532 1.00 0.00 O ATOM 623 ND2 ASN A 37 -17.147 -6.570 -1.575 1.00 0.00 N ATOM 0 H ASN A 37 -13.774 -3.113 -1.031 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.882 -5.449 -2.694 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.336 -4.980 -0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.135 -3.705 -1.583 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.766 -7.264 -1.994 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.999 -6.562 -0.566 1.00 0.00 H new ATOM 630 N ASN A 38 -15.392 -2.776 -3.936 1.00 0.00 N ATOM 631 CA ASN A 38 -15.820 -2.177 -5.232 1.00 0.00 C ATOM 632 C ASN A 38 -14.705 -2.308 -6.272 1.00 0.00 C ATOM 633 O ASN A 38 -14.948 -2.647 -7.413 1.00 0.00 O ATOM 634 CB ASN A 38 -16.145 -0.695 -5.028 1.00 0.00 C ATOM 635 CG ASN A 38 -16.767 -0.130 -6.303 1.00 0.00 C ATOM 636 OD1 ASN A 38 -17.959 -0.242 -6.514 1.00 0.00 O ATOM 637 ND2 ASN A 38 -16.005 0.477 -7.170 1.00 0.00 N ATOM 0 H ASN A 38 -15.624 -2.228 -3.108 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.704 -2.706 -5.588 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.833 -0.574 -4.191 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.238 -0.144 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.409 0.858 -8.026 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -15.005 0.571 -6.993 1.00 0.00 H new ATOM 644 N GLU A 39 -13.486 -2.024 -5.900 1.00 0.00 N ATOM 645 CA GLU A 39 -12.371 -2.116 -6.886 1.00 0.00 C ATOM 646 C GLU A 39 -11.716 -3.500 -6.841 1.00 0.00 C ATOM 647 O GLU A 39 -11.915 -4.318 -7.718 1.00 0.00 O ATOM 648 CB GLU A 39 -11.322 -1.050 -6.564 1.00 0.00 C ATOM 649 CG GLU A 39 -11.088 -0.178 -7.799 1.00 0.00 C ATOM 650 CD GLU A 39 -12.364 0.604 -8.118 1.00 0.00 C ATOM 651 OE1 GLU A 39 -13.289 0.001 -8.636 1.00 0.00 O ATOM 652 OE2 GLU A 39 -12.393 1.792 -7.838 1.00 0.00 O ATOM 0 H GLU A 39 -13.215 -1.734 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.776 -1.955 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.657 -0.435 -5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.389 -1.523 -6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.262 0.510 -7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.807 -0.800 -8.649 1.00 0.00 H new ATOM 659 N LEU A 40 -10.921 -3.764 -5.842 1.00 0.00 N ATOM 660 CA LEU A 40 -10.238 -5.081 -5.756 1.00 0.00 C ATOM 661 C LEU A 40 -11.272 -6.211 -5.780 1.00 0.00 C ATOM 662 O LEU A 40 -11.699 -6.648 -6.830 1.00 0.00 O ATOM 663 CB LEU A 40 -9.426 -5.135 -4.463 1.00 0.00 C ATOM 664 CG LEU A 40 -8.344 -4.055 -4.499 1.00 0.00 C ATOM 665 CD1 LEU A 40 -7.425 -4.204 -3.285 1.00 0.00 C ATOM 666 CD2 LEU A 40 -7.522 -4.206 -5.782 1.00 0.00 C ATOM 0 H LEU A 40 -10.715 -3.120 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.572 -5.206 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.079 -4.983 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.970 -6.118 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.813 -3.071 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.655 -3.433 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.010 -4.099 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.954 -5.187 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.749 -3.438 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.055 -5.191 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.175 -4.097 -6.648 1.00 0.00 H new ATOM 678 N SER A 41 -11.674 -6.690 -4.636 1.00 0.00 N ATOM 679 CA SER A 41 -12.676 -7.796 -4.599 1.00 0.00 C ATOM 680 C SER A 41 -12.340 -8.834 -5.674 1.00 0.00 C ATOM 681 O SER A 41 -12.996 -8.919 -6.691 1.00 0.00 O ATOM 682 CB SER A 41 -14.071 -7.231 -4.863 1.00 0.00 C ATOM 683 OG SER A 41 -15.009 -8.298 -4.909 1.00 0.00 O ATOM 0 H SER A 41 -11.353 -6.365 -3.724 1.00 0.00 H new ATOM 0 HA SER A 41 -12.652 -8.269 -3.617 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.344 -6.525 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.081 -6.682 -5.804 1.00 0.00 H new ATOM 0 HG SER A 41 -15.905 -7.939 -5.077 1.00 0.00 H new ATOM 689 N HIS A 42 -11.323 -9.625 -5.461 1.00 0.00 N ATOM 690 CA HIS A 42 -10.957 -10.650 -6.478 1.00 0.00 C ATOM 691 C HIS A 42 -10.344 -11.871 -5.790 1.00 0.00 C ATOM 692 O HIS A 42 -10.690 -12.998 -6.084 1.00 0.00 O ATOM 693 CB HIS A 42 -9.942 -10.056 -7.459 1.00 0.00 C ATOM 694 CG HIS A 42 -10.406 -10.302 -8.867 1.00 0.00 C ATOM 695 ND1 HIS A 42 -9.970 -9.534 -9.933 1.00 0.00 N ATOM 696 CD2 HIS A 42 -11.271 -11.226 -9.398 1.00 0.00 C ATOM 697 CE1 HIS A 42 -10.571 -10.004 -11.042 1.00 0.00 C ATOM 698 NE2 HIS A 42 -11.374 -11.036 -10.772 1.00 0.00 N ATOM 0 H HIS A 42 -10.732 -9.605 -4.630 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.854 -10.955 -7.017 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.832 -8.986 -7.282 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -8.962 -10.507 -7.303 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.793 -11.985 -8.834 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.422 -9.596 -12.031 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -11.941 -11.570 -11.431 1.00 0.00 H new ATOM 706 N PHE A 43 -9.435 -11.661 -4.879 1.00 0.00 N ATOM 707 CA PHE A 43 -8.803 -12.816 -4.177 1.00 0.00 C ATOM 708 C PHE A 43 -9.493 -13.024 -2.828 1.00 0.00 C ATOM 709 O PHE A 43 -9.109 -12.450 -1.829 1.00 0.00 O ATOM 710 CB PHE A 43 -7.305 -12.558 -3.946 1.00 0.00 C ATOM 711 CG PHE A 43 -6.890 -11.247 -4.575 1.00 0.00 C ATOM 712 CD1 PHE A 43 -7.011 -10.054 -3.851 1.00 0.00 C ATOM 713 CD2 PHE A 43 -6.388 -11.225 -5.880 1.00 0.00 C ATOM 714 CE1 PHE A 43 -6.629 -8.840 -4.433 1.00 0.00 C ATOM 715 CE2 PHE A 43 -6.006 -10.011 -6.463 1.00 0.00 C ATOM 716 CZ PHE A 43 -6.127 -8.819 -5.739 1.00 0.00 C ATOM 0 H PHE A 43 -9.102 -10.741 -4.590 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.913 -13.706 -4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.094 -12.538 -2.877 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.720 -13.373 -4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.399 -10.071 -2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.295 -12.145 -6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.722 -7.920 -3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.618 -9.994 -7.471 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.833 -7.882 -6.189 1.00 0.00 H new ATOM 726 N LEU A 44 -10.512 -13.838 -2.793 1.00 0.00 N ATOM 727 CA LEU A 44 -11.226 -14.081 -1.508 1.00 0.00 C ATOM 728 C LEU A 44 -11.670 -15.543 -1.440 1.00 0.00 C ATOM 729 O LEU A 44 -12.842 -15.850 -1.512 1.00 0.00 O ATOM 730 CB LEU A 44 -12.454 -13.172 -1.430 1.00 0.00 C ATOM 731 CG LEU A 44 -12.059 -11.834 -0.804 1.00 0.00 C ATOM 732 CD1 LEU A 44 -12.464 -10.694 -1.737 1.00 0.00 C ATOM 733 CD2 LEU A 44 -12.773 -11.671 0.539 1.00 0.00 C ATOM 0 H LEU A 44 -10.881 -14.345 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.558 -13.865 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.865 -13.012 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.234 -13.647 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.980 -11.810 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.182 -9.741 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.957 -10.810 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.543 -10.717 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.493 -10.718 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.852 -11.695 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.484 -12.484 1.206 1.00 0.00 H new ATOM 745 N GLU A 45 -10.741 -16.450 -1.300 1.00 0.00 N ATOM 746 CA GLU A 45 -11.112 -17.890 -1.229 1.00 0.00 C ATOM 747 C GLU A 45 -10.435 -18.534 -0.021 1.00 0.00 C ATOM 748 O GLU A 45 -11.068 -19.183 0.787 1.00 0.00 O ATOM 749 CB GLU A 45 -10.655 -18.600 -2.505 1.00 0.00 C ATOM 750 CG GLU A 45 -11.094 -17.790 -3.726 1.00 0.00 C ATOM 751 CD GLU A 45 -12.084 -18.613 -4.553 1.00 0.00 C ATOM 752 OE1 GLU A 45 -11.634 -19.430 -5.339 1.00 0.00 O ATOM 753 OE2 GLU A 45 -13.275 -18.411 -4.386 1.00 0.00 O ATOM 0 H GLU A 45 -9.742 -16.255 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.194 -17.979 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.571 -18.714 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.081 -19.602 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.557 -16.855 -3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.227 -17.527 -4.332 1.00 0.00 H new ATOM 760 N GLU A 46 -9.151 -18.359 0.106 1.00 0.00 N ATOM 761 CA GLU A 46 -8.427 -18.960 1.259 1.00 0.00 C ATOM 762 C GLU A 46 -7.782 -17.850 2.091 1.00 0.00 C ATOM 763 O GLU A 46 -6.575 -17.720 2.141 1.00 0.00 O ATOM 764 CB GLU A 46 -7.341 -19.907 0.742 1.00 0.00 C ATOM 765 CG GLU A 46 -7.993 -21.075 -0.001 1.00 0.00 C ATOM 766 CD GLU A 46 -8.093 -20.741 -1.490 1.00 0.00 C ATOM 767 OE1 GLU A 46 -7.653 -19.668 -1.866 1.00 0.00 O ATOM 768 OE2 GLU A 46 -8.608 -21.565 -2.229 1.00 0.00 O ATOM 0 H GLU A 46 -8.570 -17.825 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.130 -19.517 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.664 -19.372 0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.743 -20.280 1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.406 -21.983 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.985 -21.270 0.406 1.00 0.00 H new ATOM 775 N ILE A 47 -8.576 -17.046 2.742 1.00 0.00 N ATOM 776 CA ILE A 47 -8.008 -15.945 3.568 1.00 0.00 C ATOM 777 C ILE A 47 -7.200 -16.533 4.724 1.00 0.00 C ATOM 778 O ILE A 47 -7.679 -17.366 5.469 1.00 0.00 O ATOM 779 CB ILE A 47 -9.147 -15.089 4.127 1.00 0.00 C ATOM 780 CG1 ILE A 47 -9.910 -14.441 2.971 1.00 0.00 C ATOM 781 CG2 ILE A 47 -8.568 -13.998 5.030 1.00 0.00 C ATOM 782 CD1 ILE A 47 -11.402 -14.745 3.108 1.00 0.00 C ATOM 0 H ILE A 47 -9.594 -17.104 2.737 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.356 -15.328 2.949 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.825 -15.717 4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.746 -13.363 2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.537 -14.819 2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.378 -13.388 5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.022 -14.459 5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.891 -13.369 4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.945 -14.283 2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.557 -15.824 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.769 -14.346 4.053 1.00 0.00 H new ATOM 794 N LYS A 48 -5.977 -16.106 4.884 1.00 0.00 N ATOM 795 CA LYS A 48 -5.141 -16.637 5.994 1.00 0.00 C ATOM 796 C LYS A 48 -5.169 -15.651 7.164 1.00 0.00 C ATOM 797 O LYS A 48 -5.197 -16.040 8.314 1.00 0.00 O ATOM 798 CB LYS A 48 -3.700 -16.818 5.509 1.00 0.00 C ATOM 799 CG LYS A 48 -3.340 -18.305 5.520 1.00 0.00 C ATOM 800 CD LYS A 48 -2.004 -18.514 4.806 1.00 0.00 C ATOM 801 CE LYS A 48 -1.486 -19.925 5.092 1.00 0.00 C ATOM 802 NZ LYS A 48 -0.032 -19.992 4.775 1.00 0.00 N ATOM 0 H LYS A 48 -5.522 -15.411 4.292 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.535 -17.600 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.590 -16.414 4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.017 -16.263 6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.276 -18.667 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.122 -18.883 5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.127 -18.371 3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.279 -17.774 5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.653 -20.181 6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.034 -20.654 4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.322 -20.951 4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.115 -19.765 3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.484 -19.307 5.364 1.00 0.00 H new ATOM 816 N GLU A 49 -5.171 -14.376 6.880 1.00 0.00 N ATOM 817 CA GLU A 49 -5.205 -13.368 7.976 1.00 0.00 C ATOM 818 C GLU A 49 -6.652 -12.947 8.232 1.00 0.00 C ATOM 819 O GLU A 49 -7.011 -11.797 8.071 1.00 0.00 O ATOM 820 CB GLU A 49 -4.388 -12.139 7.575 1.00 0.00 C ATOM 821 CG GLU A 49 -2.949 -12.292 8.068 1.00 0.00 C ATOM 822 CD GLU A 49 -2.921 -12.191 9.593 1.00 0.00 C ATOM 823 OE1 GLU A 49 -3.823 -11.580 10.144 1.00 0.00 O ATOM 824 OE2 GLU A 49 -1.999 -12.726 10.185 1.00 0.00 O ATOM 0 H GLU A 49 -5.151 -13.990 5.936 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.781 -13.806 8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.400 -12.020 6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.834 -11.240 8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.544 -13.252 7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.319 -11.518 7.630 1.00 0.00 H new ATOM 831 N GLN A 50 -7.488 -13.866 8.625 1.00 0.00 N ATOM 832 CA GLN A 50 -8.911 -13.513 8.888 1.00 0.00 C ATOM 833 C GLN A 50 -8.971 -12.345 9.874 1.00 0.00 C ATOM 834 O GLN A 50 -9.923 -11.593 9.898 1.00 0.00 O ATOM 835 CB GLN A 50 -9.633 -14.721 9.485 1.00 0.00 C ATOM 836 CG GLN A 50 -11.142 -14.567 9.290 1.00 0.00 C ATOM 837 CD GLN A 50 -11.782 -15.951 9.165 1.00 0.00 C ATOM 838 OE1 GLN A 50 -11.122 -16.955 9.343 1.00 0.00 O ATOM 839 NE2 GLN A 50 -13.048 -16.048 8.864 1.00 0.00 N ATOM 0 H GLN A 50 -7.248 -14.846 8.776 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.394 -13.226 7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.286 -15.637 9.007 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.401 -14.808 10.546 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.576 -14.028 10.133 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.346 -13.978 8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.603 -15.205 8.714 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.483 -16.967 8.778 1.00 0.00 H new ATOM 848 N GLU A 51 -7.963 -12.189 10.689 1.00 0.00 N ATOM 849 CA GLU A 51 -7.967 -11.070 11.674 1.00 0.00 C ATOM 850 C GLU A 51 -7.678 -9.751 10.957 1.00 0.00 C ATOM 851 O GLU A 51 -8.211 -8.717 11.306 1.00 0.00 O ATOM 852 CB GLU A 51 -6.891 -11.319 12.733 1.00 0.00 C ATOM 853 CG GLU A 51 -7.085 -10.342 13.895 1.00 0.00 C ATOM 854 CD GLU A 51 -7.383 -11.123 15.174 1.00 0.00 C ATOM 855 OE1 GLU A 51 -8.159 -12.062 15.103 1.00 0.00 O ATOM 856 OE2 GLU A 51 -6.831 -10.769 16.203 1.00 0.00 O ATOM 0 H GLU A 51 -7.138 -12.788 10.715 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.945 -11.015 12.152 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.951 -12.346 13.093 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.900 -11.191 12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.189 -9.735 14.027 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.904 -9.657 13.675 1.00 0.00 H new ATOM 863 N VAL A 52 -6.836 -9.775 9.961 1.00 0.00 N ATOM 864 CA VAL A 52 -6.515 -8.518 9.228 1.00 0.00 C ATOM 865 C VAL A 52 -7.761 -8.012 8.501 1.00 0.00 C ATOM 866 O VAL A 52 -8.190 -6.891 8.693 1.00 0.00 O ATOM 867 CB VAL A 52 -5.411 -8.795 8.205 1.00 0.00 C ATOM 868 CG1 VAL A 52 -5.261 -7.595 7.273 1.00 0.00 C ATOM 869 CG2 VAL A 52 -4.090 -9.035 8.935 1.00 0.00 C ATOM 0 H VAL A 52 -6.357 -10.610 9.623 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.178 -7.763 9.938 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.674 -9.677 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.474 -7.795 6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.202 -7.420 6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.000 -6.712 7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.303 -9.232 8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.831 -8.152 9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.192 -9.892 9.600 1.00 0.00 H new ATOM 879 N VAL A 53 -8.342 -8.826 7.664 1.00 0.00 N ATOM 880 CA VAL A 53 -9.557 -8.389 6.922 1.00 0.00 C ATOM 881 C VAL A 53 -10.720 -8.209 7.896 1.00 0.00 C ATOM 882 O VAL A 53 -11.616 -7.423 7.670 1.00 0.00 O ATOM 883 CB VAL A 53 -9.922 -9.449 5.880 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.181 -9.014 5.128 1.00 0.00 C ATOM 885 CG2 VAL A 53 -8.768 -9.611 4.890 1.00 0.00 C ATOM 0 H VAL A 53 -8.028 -9.775 7.462 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.356 -7.440 6.425 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.108 -10.400 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.441 -9.769 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.005 -8.900 5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.996 -8.063 4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.028 -10.366 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.581 -8.660 4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.871 -9.922 5.425 1.00 0.00 H new ATOM 895 N ASP A 54 -10.715 -8.931 8.981 1.00 0.00 N ATOM 896 CA ASP A 54 -11.820 -8.792 9.967 1.00 0.00 C ATOM 897 C ASP A 54 -11.618 -7.513 10.776 1.00 0.00 C ATOM 898 O ASP A 54 -12.550 -6.954 11.316 1.00 0.00 O ATOM 899 CB ASP A 54 -11.819 -9.993 10.913 1.00 0.00 C ATOM 900 CG ASP A 54 -12.444 -11.199 10.210 1.00 0.00 C ATOM 901 OD1 ASP A 54 -12.630 -11.127 9.007 1.00 0.00 O ATOM 902 OD2 ASP A 54 -12.728 -12.173 10.885 1.00 0.00 O ATOM 0 H ASP A 54 -9.995 -9.610 9.227 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.772 -8.747 9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.799 -10.226 11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.378 -9.757 11.818 1.00 0.00 H new ATOM 907 N LYS A 55 -10.402 -7.045 10.867 1.00 0.00 N ATOM 908 CA LYS A 55 -10.140 -5.808 11.642 1.00 0.00 C ATOM 909 C LYS A 55 -10.490 -4.585 10.797 1.00 0.00 C ATOM 910 O LYS A 55 -11.171 -3.686 11.247 1.00 0.00 O ATOM 911 CB LYS A 55 -8.660 -5.757 12.034 1.00 0.00 C ATOM 912 CG LYS A 55 -8.516 -5.095 13.406 1.00 0.00 C ATOM 913 CD LYS A 55 -9.423 -3.867 13.475 1.00 0.00 C ATOM 914 CE LYS A 55 -9.177 -3.122 14.789 1.00 0.00 C ATOM 915 NZ LYS A 55 -10.148 -1.998 14.913 1.00 0.00 N ATOM 0 H LYS A 55 -9.581 -7.470 10.436 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.755 -5.808 12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.245 -6.765 12.060 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.095 -5.198 11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.781 -5.801 14.192 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.479 -4.805 13.575 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.226 -3.208 12.629 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.468 -4.170 13.407 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.285 -3.805 15.632 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.157 -2.740 14.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.644 -1.134 15.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.616 -1.841 13.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.863 -2.234 15.631 1.00 0.00 H new ATOM 929 N VAL A 56 -10.032 -4.536 9.577 1.00 0.00 N ATOM 930 CA VAL A 56 -10.347 -3.366 8.720 1.00 0.00 C ATOM 931 C VAL A 56 -11.819 -3.412 8.323 1.00 0.00 C ATOM 932 O VAL A 56 -12.502 -2.410 8.313 1.00 0.00 O ATOM 933 CB VAL A 56 -9.478 -3.407 7.463 1.00 0.00 C ATOM 934 CG1 VAL A 56 -8.013 -3.185 7.843 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.624 -4.769 6.773 1.00 0.00 C ATOM 0 H VAL A 56 -9.455 -5.255 9.140 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.146 -2.446 9.270 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.801 -2.620 6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.396 -3.215 6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.905 -2.213 8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.692 -3.968 8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.002 -4.792 5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.307 -5.558 7.455 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.666 -4.926 6.495 1.00 0.00 H new ATOM 945 N MET A 57 -12.308 -4.570 7.998 1.00 0.00 N ATOM 946 CA MET A 57 -13.737 -4.696 7.608 1.00 0.00 C ATOM 947 C MET A 57 -14.613 -4.448 8.834 1.00 0.00 C ATOM 948 O MET A 57 -15.760 -4.070 8.723 1.00 0.00 O ATOM 949 CB MET A 57 -13.987 -6.109 7.082 1.00 0.00 C ATOM 950 CG MET A 57 -15.398 -6.200 6.501 1.00 0.00 C ATOM 951 SD MET A 57 -15.527 -5.118 5.057 1.00 0.00 S ATOM 952 CE MET A 57 -14.417 -6.050 3.971 1.00 0.00 C ATOM 0 H MET A 57 -11.778 -5.441 7.985 1.00 0.00 H new ATOM 0 HA MET A 57 -13.978 -3.968 6.833 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.252 -6.358 6.317 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.867 -6.834 7.887 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.621 -7.229 6.219 1.00 0.00 H new ATOM 0 HG3 MET A 57 -16.132 -5.910 7.253 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.737 -5.932 2.936 1.00 0.00 H new ATOM 0 HE2 MET A 57 -13.400 -5.674 4.082 1.00 0.00 H new ATOM 0 HE3 MET A 57 -14.445 -7.106 4.241 1.00 0.00 H new ATOM 962 N GLU A 58 -14.081 -4.663 10.007 1.00 0.00 N ATOM 963 CA GLU A 58 -14.889 -4.439 11.239 1.00 0.00 C ATOM 964 C GLU A 58 -14.977 -2.939 11.531 1.00 0.00 C ATOM 965 O GLU A 58 -16.052 -2.394 11.675 1.00 0.00 O ATOM 966 CB GLU A 58 -14.234 -5.152 12.423 1.00 0.00 C ATOM 967 CG GLU A 58 -14.787 -6.574 12.532 1.00 0.00 C ATOM 968 CD GLU A 58 -14.057 -7.320 13.650 1.00 0.00 C ATOM 969 OE1 GLU A 58 -14.461 -7.176 14.792 1.00 0.00 O ATOM 970 OE2 GLU A 58 -13.107 -8.021 13.345 1.00 0.00 O ATOM 0 H GLU A 58 -13.125 -4.983 10.165 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.892 -4.838 11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.152 -5.180 12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.428 -4.603 13.344 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.857 -6.545 12.738 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.659 -7.099 11.586 1.00 0.00 H new ATOM 977 N THR A 59 -13.863 -2.260 11.609 1.00 0.00 N ATOM 978 CA THR A 59 -13.915 -0.796 11.878 1.00 0.00 C ATOM 979 C THR A 59 -14.640 -0.128 10.715 1.00 0.00 C ATOM 980 O THR A 59 -15.324 0.866 10.870 1.00 0.00 O ATOM 981 CB THR A 59 -12.495 -0.239 11.990 1.00 0.00 C ATOM 982 OG1 THR A 59 -11.863 -0.784 13.140 1.00 0.00 O ATOM 983 CG2 THR A 59 -12.549 1.284 12.111 1.00 0.00 C ATOM 0 H THR A 59 -12.928 -2.653 11.499 1.00 0.00 H new ATOM 0 HA THR A 59 -14.439 -0.602 12.814 1.00 0.00 H new ATOM 0 HB THR A 59 -11.928 -0.510 11.099 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.467 -0.061 13.669 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.536 1.679 12.191 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.033 1.702 11.228 1.00 0.00 H new ATOM 0 HG23 THR A 59 -13.116 1.558 13.000 1.00 0.00 H new ATOM 991 N LEU A 60 -14.496 -0.691 9.550 1.00 0.00 N ATOM 992 CA LEU A 60 -15.165 -0.134 8.347 1.00 0.00 C ATOM 993 C LEU A 60 -16.681 -0.225 8.526 1.00 0.00 C ATOM 994 O LEU A 60 -17.392 0.753 8.409 1.00 0.00 O ATOM 995 CB LEU A 60 -14.736 -0.957 7.129 1.00 0.00 C ATOM 996 CG LEU A 60 -13.545 -0.279 6.453 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.083 -1.123 5.263 1.00 0.00 C ATOM 998 CD2 LEU A 60 -13.960 1.108 5.964 1.00 0.00 C ATOM 0 H LEU A 60 -13.935 -1.525 9.379 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.885 0.910 8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.467 -1.968 7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.565 -1.047 6.426 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.728 -0.183 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.234 -0.639 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.787 -2.112 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.899 -1.220 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.111 1.593 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.778 1.012 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.288 1.710 6.812 1.00 0.00 H new ATOM 1010 N ASP A 61 -17.178 -1.395 8.812 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.646 -1.561 9.004 1.00 0.00 C ATOM 1012 C ASP A 61 -19.034 -1.113 10.416 1.00 0.00 C ATOM 1013 O ASP A 61 -20.192 -1.123 10.783 1.00 0.00 O ATOM 1014 CB ASP A 61 -19.016 -3.035 8.818 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.310 -3.140 8.011 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -21.016 -2.148 7.928 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -20.574 -4.210 7.488 1.00 0.00 O ATOM 0 H ASP A 61 -16.629 -2.247 8.922 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.179 -0.953 8.273 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.211 -3.561 8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -19.141 -3.515 9.789 1.00 0.00 H new ATOM 1022 N GLU A 62 -18.076 -0.726 11.213 1.00 0.00 N ATOM 1023 CA GLU A 62 -18.392 -0.286 12.601 1.00 0.00 C ATOM 1024 C GLU A 62 -19.072 1.082 12.568 1.00 0.00 C ATOM 1025 O GLU A 62 -20.060 1.311 13.236 1.00 0.00 O ATOM 1026 CB GLU A 62 -17.100 -0.187 13.415 1.00 0.00 C ATOM 1027 CG GLU A 62 -17.314 -0.821 14.789 1.00 0.00 C ATOM 1028 CD GLU A 62 -15.973 -1.309 15.339 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -15.145 -0.471 15.658 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -15.797 -2.512 15.434 1.00 0.00 O ATOM 0 H GLU A 62 -17.088 -0.696 10.963 1.00 0.00 H new ATOM 0 HA GLU A 62 -19.061 -1.013 13.062 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.288 -0.692 12.892 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.807 0.857 13.526 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.757 -0.095 15.471 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.013 -1.654 14.712 1.00 0.00 H new ATOM 1037 N ASP A 63 -18.549 1.992 11.800 1.00 0.00 N ATOM 1038 CA ASP A 63 -19.166 3.347 11.730 1.00 0.00 C ATOM 1039 C ASP A 63 -19.739 3.578 10.333 1.00 0.00 C ATOM 1040 O ASP A 63 -20.906 3.874 10.170 1.00 0.00 O ATOM 1041 CB ASP A 63 -18.105 4.407 12.032 1.00 0.00 C ATOM 1042 CG ASP A 63 -18.770 5.779 12.153 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -19.988 5.831 12.111 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -18.050 6.755 12.289 1.00 0.00 O ATOM 0 H ASP A 63 -17.722 1.859 11.218 1.00 0.00 H new ATOM 0 HA ASP A 63 -19.968 3.418 12.464 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -17.584 4.161 12.957 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -17.357 4.423 11.240 1.00 0.00 H new ATOM 1049 N GLY A 64 -18.926 3.448 9.326 1.00 0.00 N ATOM 1050 CA GLY A 64 -19.416 3.662 7.936 1.00 0.00 C ATOM 1051 C GLY A 64 -19.364 5.154 7.602 1.00 0.00 C ATOM 1052 O GLY A 64 -18.919 5.546 6.542 1.00 0.00 O ATOM 0 H GLY A 64 -17.939 3.202 9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.803 3.099 7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.436 3.292 7.837 1.00 0.00 H new ATOM 1056 N ASP A 65 -19.813 5.989 8.500 1.00 0.00 N ATOM 1057 CA ASP A 65 -19.787 7.454 8.235 1.00 0.00 C ATOM 1058 C ASP A 65 -18.710 8.106 9.102 1.00 0.00 C ATOM 1059 O ASP A 65 -19.002 8.795 10.059 1.00 0.00 O ATOM 1060 CB ASP A 65 -21.150 8.060 8.574 1.00 0.00 C ATOM 1061 CG ASP A 65 -21.304 9.402 7.859 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -21.738 9.397 6.719 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -20.985 10.413 8.463 1.00 0.00 O ATOM 0 H ASP A 65 -20.197 5.719 9.406 1.00 0.00 H new ATOM 0 HA ASP A 65 -19.565 7.630 7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -21.947 7.381 8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.241 8.198 9.651 1.00 0.00 H new ATOM 1068 N GLY A 66 -17.466 7.895 8.773 1.00 0.00 N ATOM 1069 CA GLY A 66 -16.369 8.500 9.572 1.00 0.00 C ATOM 1070 C GLY A 66 -15.337 9.121 8.632 1.00 0.00 C ATOM 1071 O GLY A 66 -15.301 8.828 7.454 1.00 0.00 O ATOM 0 H GLY A 66 -17.163 7.327 7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.770 9.260 10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.898 7.741 10.196 1.00 0.00 H new ATOM 1075 N GLU A 67 -14.498 9.980 9.141 1.00 0.00 N ATOM 1076 CA GLU A 67 -13.472 10.620 8.270 1.00 0.00 C ATOM 1077 C GLU A 67 -12.171 9.817 8.330 1.00 0.00 C ATOM 1078 O GLU A 67 -11.700 9.454 9.388 1.00 0.00 O ATOM 1079 CB GLU A 67 -13.216 12.053 8.743 1.00 0.00 C ATOM 1080 CG GLU A 67 -12.718 12.041 10.190 1.00 0.00 C ATOM 1081 CD GLU A 67 -13.265 13.265 10.929 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -13.345 14.316 10.315 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -13.593 13.130 12.095 1.00 0.00 O ATOM 0 H GLU A 67 -14.478 10.266 10.120 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.835 10.640 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.478 12.532 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.132 12.639 8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.041 11.127 10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.628 12.048 10.211 1.00 0.00 H new ATOM 1090 N CYS A 68 -11.585 9.543 7.197 1.00 0.00 N ATOM 1091 CA CYS A 68 -10.313 8.769 7.176 1.00 0.00 C ATOM 1092 C CYS A 68 -9.223 9.621 6.529 1.00 0.00 C ATOM 1093 O CYS A 68 -9.505 10.578 5.835 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.506 7.489 6.358 1.00 0.00 C ATOM 1095 SG CYS A 68 -11.742 6.439 7.161 1.00 0.00 S ATOM 0 H CYS A 68 -11.935 9.824 6.281 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.025 8.508 8.194 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -10.826 7.737 5.346 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.560 6.954 6.271 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.145 5.472 7.793 1.00 0.00 H new ATOM 1101 N ASP A 69 -7.983 9.287 6.744 1.00 0.00 N ATOM 1102 CA ASP A 69 -6.890 10.086 6.130 1.00 0.00 C ATOM 1103 C ASP A 69 -6.401 9.377 4.869 1.00 0.00 C ATOM 1104 O ASP A 69 -6.916 8.347 4.480 1.00 0.00 O ATOM 1105 CB ASP A 69 -5.729 10.221 7.117 1.00 0.00 C ATOM 1106 CG ASP A 69 -5.962 11.434 8.019 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -7.099 11.866 8.117 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -5.000 11.912 8.596 1.00 0.00 O ATOM 0 H ASP A 69 -7.680 8.499 7.316 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.264 11.078 5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.644 9.317 7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.789 10.332 6.576 1.00 0.00 H new ATOM 1113 N PHE A 70 -5.407 9.918 4.231 1.00 0.00 N ATOM 1114 CA PHE A 70 -4.880 9.271 2.996 1.00 0.00 C ATOM 1115 C PHE A 70 -3.888 8.175 3.383 1.00 0.00 C ATOM 1116 O PHE A 70 -3.713 7.204 2.675 1.00 0.00 O ATOM 1117 CB PHE A 70 -4.177 10.307 2.108 1.00 0.00 C ATOM 1118 CG PHE A 70 -3.578 11.407 2.953 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -2.383 11.189 3.650 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -4.220 12.649 3.038 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -1.832 12.212 4.430 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -3.667 13.672 3.817 1.00 0.00 C ATOM 1123 CZ PHE A 70 -2.474 13.454 4.514 1.00 0.00 C ATOM 0 H PHE A 70 -4.935 10.779 4.508 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.712 8.838 2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.395 9.823 1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.889 10.731 1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.887 10.232 3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.142 12.817 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.911 12.044 4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.162 14.630 3.880 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.048 14.243 5.116 1.00 0.00 H new ATOM 1133 N GLN A 71 -3.232 8.326 4.501 1.00 0.00 N ATOM 1134 CA GLN A 71 -2.248 7.294 4.929 1.00 0.00 C ATOM 1135 C GLN A 71 -2.972 6.121 5.600 1.00 0.00 C ATOM 1136 O GLN A 71 -2.499 5.002 5.581 1.00 0.00 O ATOM 1137 CB GLN A 71 -1.244 7.922 5.903 1.00 0.00 C ATOM 1138 CG GLN A 71 -1.856 8.028 7.302 1.00 0.00 C ATOM 1139 CD GLN A 71 -1.189 7.007 8.225 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -1.075 7.230 9.414 1.00 0.00 O ATOM 1141 NE2 GLN A 71 -0.743 5.886 7.726 1.00 0.00 N ATOM 0 H GLN A 71 -3.335 9.118 5.135 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.716 6.918 4.055 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.337 7.319 5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.954 8.912 5.549 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.719 9.035 7.696 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.930 7.847 7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.838 5.698 6.728 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.299 5.198 8.334 1.00 0.00 H new ATOM 1150 N GLU A 72 -4.113 6.357 6.194 1.00 0.00 N ATOM 1151 CA GLU A 72 -4.840 5.246 6.855 1.00 0.00 C ATOM 1152 C GLU A 72 -5.462 4.356 5.778 1.00 0.00 C ATOM 1153 O GLU A 72 -5.338 3.148 5.807 1.00 0.00 O ATOM 1154 CB GLU A 72 -5.904 5.834 7.799 1.00 0.00 C ATOM 1155 CG GLU A 72 -7.236 6.059 7.077 1.00 0.00 C ATOM 1156 CD GLU A 72 -8.343 6.244 8.116 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -8.195 7.104 8.967 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -9.321 5.518 8.043 1.00 0.00 O ATOM 0 H GLU A 72 -4.567 7.269 6.247 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.163 4.635 7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.056 5.160 8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.547 6.779 8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.172 6.938 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.463 5.209 6.433 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.113 4.947 4.815 1.00 0.00 N ATOM 1166 CA PHE A 73 -6.715 4.132 3.726 1.00 0.00 C ATOM 1167 C PHE A 73 -5.574 3.470 2.947 1.00 0.00 C ATOM 1168 O PHE A 73 -5.732 2.425 2.347 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.556 5.053 2.813 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.132 4.921 1.364 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -5.911 5.458 0.944 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -7.955 4.253 0.450 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -5.511 5.331 -0.390 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -7.554 4.123 -0.885 1.00 0.00 C ATOM 1175 CZ PHE A 73 -6.333 4.662 -1.305 1.00 0.00 C ATOM 0 H PHE A 73 -6.253 5.954 4.736 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.372 3.359 4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.612 4.801 2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.445 6.089 3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.276 5.971 1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.898 3.838 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.569 5.748 -0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.187 3.606 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.025 4.562 -2.335 1.00 0.00 H new ATOM 1185 N MET A 74 -4.425 4.087 2.954 1.00 0.00 N ATOM 1186 CA MET A 74 -3.260 3.523 2.221 1.00 0.00 C ATOM 1187 C MET A 74 -2.823 2.215 2.877 1.00 0.00 C ATOM 1188 O MET A 74 -2.700 1.195 2.229 1.00 0.00 O ATOM 1189 CB MET A 74 -2.109 4.534 2.267 1.00 0.00 C ATOM 1190 CG MET A 74 -1.991 5.242 0.919 1.00 0.00 C ATOM 1191 SD MET A 74 -0.854 4.324 -0.148 1.00 0.00 S ATOM 1192 CE MET A 74 -2.107 3.606 -1.236 1.00 0.00 C ATOM 0 H MET A 74 -4.243 4.965 3.441 1.00 0.00 H new ATOM 0 HA MET A 74 -3.536 3.325 1.185 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.285 5.264 3.058 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.175 4.025 2.504 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.971 5.314 0.447 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.630 6.261 1.062 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.679 3.440 -2.225 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.446 2.656 -0.823 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.953 4.289 -1.317 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.587 2.234 4.157 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.159 0.990 4.850 1.00 0.00 C ATOM 1204 C ALA A 75 -3.341 0.024 4.924 1.00 0.00 C ATOM 1205 O ALA A 75 -3.174 -1.168 5.093 1.00 0.00 O ATOM 1206 CB ALA A 75 -1.688 1.330 6.264 1.00 0.00 C ATOM 0 H ALA A 75 -2.672 3.057 4.753 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.341 0.526 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.374 0.418 6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.848 2.023 6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.505 1.792 6.819 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.537 0.528 4.796 1.00 0.00 N ATOM 1213 CA PHE A 76 -5.728 -0.361 4.856 1.00 0.00 C ATOM 1214 C PHE A 76 -5.863 -1.116 3.532 1.00 0.00 C ATOM 1215 O PHE A 76 -6.342 -2.231 3.487 1.00 0.00 O ATOM 1216 CB PHE A 76 -6.983 0.482 5.095 1.00 0.00 C ATOM 1217 CG PHE A 76 -7.393 0.382 6.546 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -6.448 0.583 7.558 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -8.722 0.091 6.878 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -6.831 0.492 8.902 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -9.105 0.000 8.221 1.00 0.00 C ATOM 1222 CZ PHE A 76 -8.159 0.200 9.233 1.00 0.00 C ATOM 0 H PHE A 76 -4.740 1.517 4.652 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.611 -1.074 5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.790 1.522 4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.793 0.136 4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.423 0.808 7.303 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.452 -0.063 6.097 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.101 0.647 9.683 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.130 -0.224 8.476 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.454 0.129 10.270 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.440 -0.518 2.450 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.544 -1.206 1.131 1.00 0.00 C ATOM 1234 C VAL A 77 -4.473 -2.295 1.037 1.00 0.00 C ATOM 1235 O VAL A 77 -4.627 -3.271 0.328 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.335 -0.186 0.013 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.373 -0.897 -1.342 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.449 0.864 0.067 1.00 0.00 C ATOM 0 H VAL A 77 -5.028 0.415 2.423 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.530 -1.660 1.032 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.368 0.300 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.224 -0.169 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.582 -1.646 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.340 -1.383 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.301 1.593 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.415 0.376 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.424 1.371 1.031 1.00 0.00 H new ATOM 1248 N SER A 78 -3.385 -2.134 1.739 1.00 0.00 N ATOM 1249 CA SER A 78 -2.303 -3.160 1.683 1.00 0.00 C ATOM 1250 C SER A 78 -2.657 -4.346 2.584 1.00 0.00 C ATOM 1251 O SER A 78 -2.568 -5.490 2.183 1.00 0.00 O ATOM 1252 CB SER A 78 -0.990 -2.539 2.159 1.00 0.00 C ATOM 1253 OG SER A 78 -1.273 -1.389 2.944 1.00 0.00 O ATOM 0 H SER A 78 -3.198 -1.338 2.348 1.00 0.00 H new ATOM 0 HA SER A 78 -2.196 -3.510 0.656 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.423 -3.263 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.372 -2.267 1.304 1.00 0.00 H new ATOM 0 HG SER A 78 -1.844 -1.641 3.700 1.00 0.00 H new ATOM 1259 N MET A 79 -3.046 -4.085 3.801 1.00 0.00 N ATOM 1260 CA MET A 79 -3.393 -5.192 4.730 1.00 0.00 C ATOM 1261 C MET A 79 -4.420 -6.126 4.086 1.00 0.00 C ATOM 1262 O MET A 79 -4.296 -7.334 4.144 1.00 0.00 O ATOM 1263 CB MET A 79 -3.980 -4.599 6.010 1.00 0.00 C ATOM 1264 CG MET A 79 -3.048 -3.507 6.539 1.00 0.00 C ATOM 1265 SD MET A 79 -2.441 -3.974 8.177 1.00 0.00 S ATOM 1266 CE MET A 79 -3.634 -3.017 9.144 1.00 0.00 C ATOM 0 H MET A 79 -3.138 -3.147 4.192 1.00 0.00 H new ATOM 0 HA MET A 79 -2.494 -5.764 4.958 1.00 0.00 H new ATOM 0 HB2 MET A 79 -4.968 -4.184 5.812 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.107 -5.379 6.761 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.211 -3.366 5.856 1.00 0.00 H new ATOM 0 HG3 MET A 79 -3.578 -2.556 6.593 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.440 -3.161 10.207 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.537 -1.960 8.898 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.644 -3.353 8.911 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.441 -5.582 3.488 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.482 -6.440 2.860 1.00 0.00 C ATOM 1278 C VAL A 80 -5.936 -7.114 1.596 1.00 0.00 C ATOM 1279 O VAL A 80 -6.204 -8.271 1.338 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.688 -5.577 2.502 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.443 -5.207 3.781 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.224 -4.300 1.797 1.00 0.00 C ATOM 0 H VAL A 80 -5.600 -4.578 3.407 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.776 -7.218 3.565 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.345 -6.135 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.306 -4.590 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.780 -6.115 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.782 -4.652 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.090 -3.689 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.564 -3.739 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.687 -4.562 0.886 1.00 0.00 H new ATOM 1292 N THR A 81 -5.178 -6.410 0.804 1.00 0.00 N ATOM 1293 CA THR A 81 -4.628 -7.028 -0.438 1.00 0.00 C ATOM 1294 C THR A 81 -3.495 -7.991 -0.071 1.00 0.00 C ATOM 1295 O THR A 81 -2.922 -8.642 -0.921 1.00 0.00 O ATOM 1296 CB THR A 81 -4.094 -5.930 -1.363 1.00 0.00 C ATOM 1297 OG1 THR A 81 -5.006 -4.842 -1.367 1.00 0.00 O ATOM 1298 CG2 THR A 81 -3.944 -6.477 -2.786 1.00 0.00 C ATOM 0 H THR A 81 -4.915 -5.437 0.960 1.00 0.00 H new ATOM 0 HA THR A 81 -5.417 -7.578 -0.951 1.00 0.00 H new ATOM 0 HB THR A 81 -3.120 -5.595 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.871 -4.299 -0.562 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.564 -5.692 -3.439 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.247 -7.315 -2.782 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.914 -6.814 -3.150 1.00 0.00 H new ATOM 1306 N THR A 82 -3.172 -8.089 1.190 1.00 0.00 N ATOM 1307 CA THR A 82 -2.081 -9.012 1.610 1.00 0.00 C ATOM 1308 C THR A 82 -2.609 -9.978 2.672 1.00 0.00 C ATOM 1309 O THR A 82 -1.944 -10.921 3.049 1.00 0.00 O ATOM 1310 CB THR A 82 -0.920 -8.202 2.189 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.374 -7.461 3.314 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.384 -7.244 1.126 1.00 0.00 C ATOM 0 H THR A 82 -3.617 -7.570 1.947 1.00 0.00 H new ATOM 0 HA THR A 82 -1.733 -9.578 0.746 1.00 0.00 H new ATOM 0 HB THR A 82 -0.124 -8.879 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.103 -6.866 3.041 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.443 -6.667 1.540 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.034 -7.814 0.265 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.178 -6.566 0.813 1.00 0.00 H new ATOM 1320 N ALA A 83 -3.799 -9.752 3.159 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.363 -10.659 4.196 1.00 0.00 C ATOM 1322 C ALA A 83 -4.969 -11.891 3.520 1.00 0.00 C ATOM 1323 O ALA A 83 -5.056 -12.951 4.105 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.449 -9.923 4.983 1.00 0.00 C ATOM 0 H ALA A 83 -4.404 -8.978 2.883 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.570 -10.970 4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.862 -10.587 5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.018 -9.045 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.242 -9.611 4.304 1.00 0.00 H new ATOM 1330 N CYS A 84 -5.390 -11.758 2.292 1.00 0.00 N ATOM 1331 CA CYS A 84 -5.991 -12.921 1.580 1.00 0.00 C ATOM 1332 C CYS A 84 -5.002 -14.086 1.576 1.00 0.00 C ATOM 1333 O CYS A 84 -4.078 -14.135 2.362 1.00 0.00 O ATOM 1334 CB CYS A 84 -6.318 -12.526 0.138 1.00 0.00 C ATOM 1335 SG CYS A 84 -7.377 -11.059 0.142 1.00 0.00 S ATOM 0 H CYS A 84 -5.344 -10.894 1.751 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.906 -13.223 2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.399 -12.323 -0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.820 -13.349 -0.371 1.00 0.00 H new ATOM 0 HG CYS A 84 -8.374 -11.241 -0.672 1.00 0.00 H new ATOM 1341 N HIS A 85 -5.186 -15.024 0.690 1.00 0.00 N ATOM 1342 CA HIS A 85 -4.258 -16.185 0.627 1.00 0.00 C ATOM 1343 C HIS A 85 -2.854 -15.683 0.263 1.00 0.00 C ATOM 1344 O HIS A 85 -2.398 -14.682 0.780 1.00 0.00 O ATOM 1345 CB HIS A 85 -4.768 -17.167 -0.430 1.00 0.00 C ATOM 1346 CG HIS A 85 -4.935 -16.445 -1.738 1.00 0.00 C ATOM 1347 ND1 HIS A 85 -5.991 -16.705 -2.597 1.00 0.00 N ATOM 1348 CD2 HIS A 85 -4.195 -15.459 -2.340 1.00 0.00 C ATOM 1349 CE1 HIS A 85 -5.859 -15.890 -3.658 1.00 0.00 C ATOM 1350 NE2 HIS A 85 -4.781 -15.109 -3.553 1.00 0.00 N ATOM 0 H HIS A 85 -5.942 -15.036 0.005 1.00 0.00 H new ATOM 0 HA HIS A 85 -4.212 -16.692 1.591 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.066 -17.993 -0.544 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -5.719 -17.597 -0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.295 -15.021 -1.934 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.542 -15.869 -4.494 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.457 -14.407 -4.218 1.00 0.00 H new ATOM 1358 N GLU A 86 -2.161 -16.357 -0.617 1.00 0.00 N ATOM 1359 CA GLU A 86 -0.794 -15.896 -0.991 1.00 0.00 C ATOM 1360 C GLU A 86 -0.900 -14.682 -1.918 1.00 0.00 C ATOM 1361 O GLU A 86 -1.017 -13.558 -1.472 1.00 0.00 O ATOM 1362 CB GLU A 86 -0.054 -17.024 -1.713 1.00 0.00 C ATOM 1363 CG GLU A 86 0.226 -18.166 -0.736 1.00 0.00 C ATOM 1364 CD GLU A 86 1.128 -19.202 -1.412 1.00 0.00 C ATOM 1365 OE1 GLU A 86 2.190 -18.821 -1.874 1.00 0.00 O ATOM 1366 OE2 GLU A 86 0.738 -20.356 -1.458 1.00 0.00 O ATOM 0 H GLU A 86 -2.481 -17.202 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.246 -15.620 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.651 -17.387 -2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.882 -16.650 -2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.706 -17.781 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.710 -18.630 -0.424 1.00 0.00 H new ATOM 1373 N PHE A 87 -0.862 -14.903 -3.206 1.00 0.00 N ATOM 1374 CA PHE A 87 -0.961 -13.767 -4.165 1.00 0.00 C ATOM 1375 C PHE A 87 -0.469 -14.222 -5.547 1.00 0.00 C ATOM 1376 O PHE A 87 -1.163 -14.926 -6.248 1.00 0.00 O ATOM 1377 CB PHE A 87 -0.125 -12.579 -3.669 1.00 0.00 C ATOM 1378 CG PHE A 87 1.168 -13.059 -3.043 1.00 0.00 C ATOM 1379 CD1 PHE A 87 1.692 -14.320 -3.360 1.00 0.00 C ATOM 1380 CD2 PHE A 87 1.850 -12.227 -2.148 1.00 0.00 C ATOM 1381 CE1 PHE A 87 2.891 -14.747 -2.776 1.00 0.00 C ATOM 1382 CE2 PHE A 87 3.047 -12.653 -1.568 1.00 0.00 C ATOM 1383 CZ PHE A 87 3.569 -13.913 -1.881 1.00 0.00 C ATOM 0 H PHE A 87 -0.766 -15.824 -3.634 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.001 -13.449 -4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.094 -11.910 -4.501 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.697 -12.005 -2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.171 -14.962 -4.055 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.450 -11.254 -1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.292 -15.720 -3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.570 -12.009 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.495 -14.241 -1.432 1.00 0.00 H new ATOM 1393 N PHE A 88 0.716 -13.825 -5.946 1.00 0.00 N ATOM 1394 CA PHE A 88 1.232 -14.246 -7.291 1.00 0.00 C ATOM 1395 C PHE A 88 0.989 -15.745 -7.469 1.00 0.00 C ATOM 1396 O PHE A 88 1.792 -16.566 -7.076 1.00 0.00 O ATOM 1397 CB PHE A 88 2.743 -13.968 -7.433 1.00 0.00 C ATOM 1398 CG PHE A 88 3.251 -13.110 -6.295 1.00 0.00 C ATOM 1399 CD1 PHE A 88 2.868 -11.765 -6.202 1.00 0.00 C ATOM 1400 CD2 PHE A 88 4.106 -13.660 -5.334 1.00 0.00 C ATOM 1401 CE1 PHE A 88 3.340 -10.974 -5.146 1.00 0.00 C ATOM 1402 CE2 PHE A 88 4.576 -12.867 -4.280 1.00 0.00 C ATOM 1403 CZ PHE A 88 4.193 -11.526 -4.186 1.00 0.00 C ATOM 0 H PHE A 88 1.345 -13.232 -5.405 1.00 0.00 H new ATOM 0 HA PHE A 88 0.705 -13.671 -8.052 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.289 -14.911 -7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.936 -13.469 -8.383 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.209 -11.338 -6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.403 -14.696 -5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.045 -9.938 -5.074 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.236 -13.292 -3.538 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.556 -10.916 -3.372 1.00 0.00 H new ATOM 1413 N GLU A 89 -0.122 -16.108 -8.044 1.00 0.00 N ATOM 1414 CA GLU A 89 -0.431 -17.549 -8.228 1.00 0.00 C ATOM 1415 C GLU A 89 -0.911 -17.805 -9.659 1.00 0.00 C ATOM 1416 O GLU A 89 -1.272 -18.910 -10.012 1.00 0.00 O ATOM 1417 CB GLU A 89 -1.530 -17.929 -7.243 1.00 0.00 C ATOM 1418 CG GLU A 89 -1.653 -19.451 -7.167 1.00 0.00 C ATOM 1419 CD GLU A 89 -0.581 -20.001 -6.227 1.00 0.00 C ATOM 1420 OE1 GLU A 89 0.352 -19.271 -5.934 1.00 0.00 O ATOM 1421 OE2 GLU A 89 -0.711 -21.141 -5.815 1.00 0.00 O ATOM 0 H GLU A 89 -0.831 -15.465 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 89 0.462 -18.147 -8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.303 -17.524 -6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.479 -17.493 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.644 -19.729 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.539 -19.886 -8.160 1.00 0.00 H new ATOM 1428 N HIS A 90 -0.919 -16.796 -10.483 1.00 0.00 N ATOM 1429 CA HIS A 90 -1.376 -16.991 -11.889 1.00 0.00 C ATOM 1430 C HIS A 90 -0.654 -18.195 -12.499 1.00 0.00 C ATOM 1431 O HIS A 90 0.496 -18.111 -12.879 1.00 0.00 O ATOM 1432 CB HIS A 90 -1.051 -15.737 -12.703 1.00 0.00 C ATOM 1433 CG HIS A 90 -2.319 -15.157 -13.269 1.00 0.00 C ATOM 1434 ND1 HIS A 90 -2.313 -14.062 -14.118 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -3.638 -15.504 -13.113 1.00 0.00 C ATOM 1436 CE1 HIS A 90 -3.592 -13.789 -14.436 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -4.440 -14.638 -13.852 1.00 0.00 N ATOM 0 H HIS A 90 -0.630 -15.847 -10.246 1.00 0.00 H new ATOM 0 HA HIS A 90 -2.451 -17.169 -11.902 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -0.553 -15.001 -12.072 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -0.361 -15.984 -13.510 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.999 -16.324 -12.509 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -3.895 -12.981 -15.085 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -5.457 -14.650 -13.930 1.00 0.00 H new ATOM 1445 N GLU A 91 -1.317 -19.316 -12.599 1.00 0.00 N ATOM 1446 CA GLU A 91 -0.660 -20.519 -13.188 1.00 0.00 C ATOM 1447 C GLU A 91 -1.643 -21.235 -14.117 1.00 0.00 C ATOM 1448 O GLU A 91 -1.185 -21.887 -15.041 1.00 0.00 O ATOM 1449 CB GLU A 91 -0.232 -21.469 -12.069 1.00 0.00 C ATOM 1450 CG GLU A 91 1.250 -21.816 -12.231 1.00 0.00 C ATOM 1451 CD GLU A 91 1.505 -23.235 -11.718 1.00 0.00 C ATOM 1452 OE1 GLU A 91 0.718 -24.110 -12.040 1.00 0.00 O ATOM 1453 OE2 GLU A 91 2.483 -23.423 -11.013 1.00 0.00 O ATOM 1454 OXT GLU A 91 -2.835 -21.120 -13.889 1.00 0.00 O ATOM 0 H GLU A 91 -2.283 -19.451 -12.299 1.00 0.00 H new ATOM 0 HA GLU A 91 0.217 -20.210 -13.756 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.403 -21.004 -11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.834 -22.377 -12.099 1.00 0.00 H new ATOM 0 HG2 GLU A 91 1.539 -21.740 -13.279 1.00 0.00 H new ATOM 0 HG3 GLU A 91 1.863 -21.103 -11.679 1.00 0.00 H new TER 1461 GLU A 91 ATOM 1462 N MET B 0 -7.245 -4.201 -14.894 1.00 0.00 N ATOM 1463 CA MET B 0 -8.104 -3.545 -15.918 1.00 0.00 C ATOM 1464 C MET B 0 -8.800 -2.330 -15.300 1.00 0.00 C ATOM 1465 O MET B 0 -9.326 -1.484 -15.994 1.00 0.00 O ATOM 1466 CB MET B 0 -9.156 -4.539 -16.413 1.00 0.00 C ATOM 1467 CG MET B 0 -8.929 -4.828 -17.898 1.00 0.00 C ATOM 1468 SD MET B 0 -10.466 -5.432 -18.636 1.00 0.00 S ATOM 1469 CE MET B 0 -10.739 -6.812 -17.500 1.00 0.00 C ATOM 0 H1 MET B 0 -6.935 -5.130 -15.244 1.00 0.00 H new ATOM 0 H2 MET B 0 -6.413 -3.606 -14.706 1.00 0.00 H new ATOM 0 H3 MET B 0 -7.787 -4.326 -14.015 1.00 0.00 H new ATOM 0 HA MET B 0 -7.487 -3.221 -16.756 1.00 0.00 H new ATOM 0 HB2 MET B 0 -9.096 -5.464 -15.839 1.00 0.00 H new ATOM 0 HB3 MET B 0 -10.156 -4.133 -16.260 1.00 0.00 H new ATOM 0 HG2 MET B 0 -8.598 -3.924 -18.409 1.00 0.00 H new ATOM 0 HG3 MET B 0 -8.139 -5.569 -18.019 1.00 0.00 H new ATOM 0 HE1 MET B 0 -11.375 -7.557 -17.979 1.00 0.00 H new ATOM 0 HE2 MET B 0 -9.782 -7.265 -17.241 1.00 0.00 H new ATOM 0 HE3 MET B 0 -11.225 -6.448 -16.595 1.00 0.00 H new ATOM 1481 N SER B 1 -8.806 -2.234 -13.998 1.00 0.00 N ATOM 1482 CA SER B 1 -9.466 -1.072 -13.339 1.00 0.00 C ATOM 1483 C SER B 1 -8.400 -0.078 -12.872 1.00 0.00 C ATOM 1484 O SER B 1 -7.242 -0.185 -13.225 1.00 0.00 O ATOM 1485 CB SER B 1 -10.277 -1.556 -12.138 1.00 0.00 C ATOM 1486 OG SER B 1 -9.531 -1.343 -10.947 1.00 0.00 O ATOM 0 H SER B 1 -8.382 -2.910 -13.363 1.00 0.00 H new ATOM 0 HA SER B 1 -10.132 -0.582 -14.049 1.00 0.00 H new ATOM 0 HB2 SER B 1 -11.225 -1.021 -12.087 1.00 0.00 H new ATOM 0 HB3 SER B 1 -10.513 -2.614 -12.248 1.00 0.00 H new ATOM 0 HG SER B 1 -9.921 -1.869 -10.218 1.00 0.00 H new ATOM 1492 N GLU B 2 -8.781 0.890 -12.084 1.00 0.00 N ATOM 1493 CA GLU B 2 -7.788 1.891 -11.601 1.00 0.00 C ATOM 1494 C GLU B 2 -6.998 1.314 -10.428 1.00 0.00 C ATOM 1495 O GLU B 2 -5.799 1.144 -10.500 1.00 0.00 O ATOM 1496 CB GLU B 2 -8.514 3.159 -11.138 1.00 0.00 C ATOM 1497 CG GLU B 2 -7.821 4.405 -11.706 1.00 0.00 C ATOM 1498 CD GLU B 2 -6.300 4.216 -11.709 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -5.723 4.195 -10.635 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -5.740 4.094 -12.785 1.00 0.00 O ATOM 0 H GLU B 2 -9.736 1.031 -11.754 1.00 0.00 H new ATOM 0 HA GLU B 2 -7.107 2.134 -12.417 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -9.553 3.131 -11.465 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -8.524 3.204 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -8.172 4.594 -12.720 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.084 5.279 -11.110 1.00 0.00 H new ATOM 1507 N LEU B 3 -7.660 1.023 -9.347 1.00 0.00 N ATOM 1508 CA LEU B 3 -6.953 0.466 -8.162 1.00 0.00 C ATOM 1509 C LEU B 3 -6.506 -0.962 -8.452 1.00 0.00 C ATOM 1510 O LEU B 3 -5.371 -1.328 -8.241 1.00 0.00 O ATOM 1511 CB LEU B 3 -7.911 0.444 -6.974 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.133 0.132 -5.697 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -6.618 1.434 -5.080 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.053 -0.580 -4.702 1.00 0.00 C ATOM 0 H LEU B 3 -8.666 1.147 -9.231 1.00 0.00 H new ATOM 0 HA LEU B 3 -6.084 1.085 -7.939 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.413 1.407 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.686 -0.306 -7.132 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.287 -0.513 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.063 1.210 -4.169 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -5.962 1.939 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.461 2.082 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -7.499 -0.803 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -8.899 0.064 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -8.416 -1.508 -5.143 1.00 0.00 H new ATOM 1526 N GLU B 4 -7.401 -1.776 -8.913 1.00 0.00 N ATOM 1527 CA GLU B 4 -7.042 -3.192 -9.196 1.00 0.00 C ATOM 1528 C GLU B 4 -5.787 -3.260 -10.071 1.00 0.00 C ATOM 1529 O GLU B 4 -4.960 -4.131 -9.911 1.00 0.00 O ATOM 1530 CB GLU B 4 -8.205 -3.879 -9.914 1.00 0.00 C ATOM 1531 CG GLU B 4 -7.819 -5.320 -10.253 1.00 0.00 C ATOM 1532 CD GLU B 4 -7.021 -5.345 -11.558 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -7.146 -4.404 -12.323 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -6.301 -6.306 -11.770 1.00 0.00 O ATOM 0 H GLU B 4 -8.370 -1.526 -9.108 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.840 -3.700 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -9.093 -3.869 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -8.456 -3.335 -10.825 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -7.226 -5.748 -9.445 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -8.715 -5.933 -10.351 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.633 -2.357 -10.997 1.00 0.00 N ATOM 1542 CA LYS B 5 -4.427 -2.397 -11.869 1.00 0.00 C ATOM 1543 C LYS B 5 -3.239 -1.760 -11.138 1.00 0.00 C ATOM 1544 O LYS B 5 -2.116 -2.209 -11.252 1.00 0.00 O ATOM 1545 CB LYS B 5 -4.714 -1.633 -13.163 1.00 0.00 C ATOM 1546 CG LYS B 5 -3.403 -1.362 -13.900 1.00 0.00 C ATOM 1547 CD LYS B 5 -3.015 0.104 -13.710 1.00 0.00 C ATOM 1548 CE LYS B 5 -2.391 0.636 -15.000 1.00 0.00 C ATOM 1549 NZ LYS B 5 -3.464 1.157 -15.892 1.00 0.00 N ATOM 0 H LYS B 5 -6.286 -1.597 -11.188 1.00 0.00 H new ATOM 0 HA LYS B 5 -4.182 -3.432 -12.107 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.386 -2.211 -13.797 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -5.217 -0.693 -12.938 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -2.616 -2.012 -13.518 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -3.515 -1.587 -14.961 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -3.894 0.693 -13.448 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -2.309 0.201 -12.885 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -1.677 1.427 -14.772 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -1.838 -0.157 -15.503 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.040 1.519 -16.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -4.129 0.391 -16.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.973 1.926 -15.411 1.00 0.00 H new ATOM 1563 N ALA B 6 -3.478 -0.713 -10.397 1.00 0.00 N ATOM 1564 CA ALA B 6 -2.365 -0.041 -9.665 1.00 0.00 C ATOM 1565 C ALA B 6 -2.048 -0.811 -8.381 1.00 0.00 C ATOM 1566 O ALA B 6 -1.005 -1.420 -8.253 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.782 1.389 -9.313 1.00 0.00 C ATOM 0 H ALA B 6 -4.398 -0.292 -10.266 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.478 -0.020 -10.298 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -1.971 1.883 -8.778 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -3.002 1.940 -10.228 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.671 1.364 -8.682 1.00 0.00 H new ATOM 1573 N MET B 7 -2.937 -0.781 -7.427 1.00 0.00 N ATOM 1574 CA MET B 7 -2.693 -1.505 -6.150 1.00 0.00 C ATOM 1575 C MET B 7 -2.093 -2.875 -6.447 1.00 0.00 C ATOM 1576 O MET B 7 -1.069 -3.256 -5.906 1.00 0.00 O ATOM 1577 CB MET B 7 -4.023 -1.690 -5.411 1.00 0.00 C ATOM 1578 CG MET B 7 -3.818 -2.612 -4.205 1.00 0.00 C ATOM 1579 SD MET B 7 -2.344 -2.100 -3.284 1.00 0.00 S ATOM 1580 CE MET B 7 -2.916 -2.593 -1.642 1.00 0.00 C ATOM 0 H MET B 7 -3.826 -0.283 -7.478 1.00 0.00 H new ATOM 0 HA MET B 7 -2.003 -0.929 -5.533 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.405 -0.724 -5.082 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.768 -2.115 -6.084 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.693 -2.578 -3.556 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.709 -3.644 -4.539 1.00 0.00 H new ATOM 0 HE1 MET B 7 -2.571 -1.869 -0.904 1.00 0.00 H new ATOM 0 HE2 MET B 7 -4.005 -2.631 -1.632 1.00 0.00 H new ATOM 0 HE3 MET B 7 -2.517 -3.577 -1.398 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.723 -3.621 -7.304 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.196 -4.970 -7.640 1.00 0.00 C ATOM 1592 C VAL B 8 -0.857 -4.824 -8.364 1.00 0.00 C ATOM 1593 O VAL B 8 0.051 -5.608 -8.173 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.199 -5.703 -8.530 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.774 -7.164 -8.685 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.587 -5.644 -7.887 1.00 0.00 C ATOM 0 H VAL B 8 -3.581 -3.356 -7.788 1.00 0.00 H new ATOM 0 HA VAL B 8 -2.047 -5.546 -6.727 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.229 -5.227 -9.510 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.490 -7.686 -9.320 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.785 -7.209 -9.141 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.744 -7.640 -7.705 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.304 -6.166 -8.520 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.554 -6.120 -6.907 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.892 -4.604 -7.775 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.714 -3.815 -9.184 1.00 0.00 N ATOM 1607 CA ALA B 9 0.581 -3.622 -9.895 1.00 0.00 C ATOM 1608 C ALA B 9 1.703 -3.623 -8.860 1.00 0.00 C ATOM 1609 O ALA B 9 2.752 -4.199 -9.068 1.00 0.00 O ATOM 1610 CB ALA B 9 0.569 -2.289 -10.643 1.00 0.00 C ATOM 0 H ALA B 9 -1.433 -3.122 -9.390 1.00 0.00 H new ATOM 0 HA ALA B 9 0.735 -4.425 -10.616 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.519 -2.154 -11.161 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -0.244 -2.287 -11.369 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.424 -1.475 -9.933 1.00 0.00 H new ATOM 1616 N LEU B 10 1.483 -2.998 -7.735 1.00 0.00 N ATOM 1617 CA LEU B 10 2.528 -2.985 -6.679 1.00 0.00 C ATOM 1618 C LEU B 10 2.880 -4.433 -6.353 1.00 0.00 C ATOM 1619 O LEU B 10 4.035 -4.803 -6.268 1.00 0.00 O ATOM 1620 CB LEU B 10 1.989 -2.289 -5.427 1.00 0.00 C ATOM 1621 CG LEU B 10 3.081 -1.411 -4.818 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.451 -0.418 -3.841 1.00 0.00 C ATOM 1623 CD2 LEU B 10 4.086 -2.291 -4.073 1.00 0.00 C ATOM 0 H LEU B 10 0.625 -2.497 -7.504 1.00 0.00 H new ATOM 0 HA LEU B 10 3.411 -2.446 -7.023 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.120 -1.682 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU B 10 1.658 -3.031 -4.700 1.00 0.00 H new ATOM 0 HG LEU B 10 3.593 -0.866 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.230 0.209 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.734 0.209 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.939 -0.963 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.865 -1.665 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.574 -2.837 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.536 -2.999 -4.769 1.00 0.00 H new ATOM 1635 N ILE B 11 1.885 -5.263 -6.191 1.00 0.00 N ATOM 1636 CA ILE B 11 2.152 -6.697 -5.896 1.00 0.00 C ATOM 1637 C ILE B 11 3.118 -7.235 -6.957 1.00 0.00 C ATOM 1638 O ILE B 11 3.976 -8.049 -6.681 1.00 0.00 O ATOM 1639 CB ILE B 11 0.814 -7.466 -5.927 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.261 -7.564 -4.504 1.00 0.00 C ATOM 1641 CG2 ILE B 11 0.996 -8.882 -6.493 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -1.250 -7.802 -4.557 1.00 0.00 C ATOM 0 H ILE B 11 0.899 -5.008 -6.251 1.00 0.00 H new ATOM 0 HA ILE B 11 2.602 -6.821 -4.911 1.00 0.00 H new ATOM 0 HB ILE B 11 0.122 -6.925 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.749 -8.378 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE B 11 0.476 -6.647 -3.955 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.035 -9.397 -6.501 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.383 -8.820 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.699 -9.435 -5.870 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.643 -7.872 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.731 -6.973 -5.076 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -1.454 -8.731 -5.090 1.00 0.00 H new ATOM 1654 N ASP B 12 2.978 -6.781 -8.170 1.00 0.00 N ATOM 1655 CA ASP B 12 3.877 -7.254 -9.259 1.00 0.00 C ATOM 1656 C ASP B 12 5.332 -6.950 -8.899 1.00 0.00 C ATOM 1657 O ASP B 12 6.169 -7.830 -8.862 1.00 0.00 O ATOM 1658 CB ASP B 12 3.511 -6.538 -10.559 1.00 0.00 C ATOM 1659 CG ASP B 12 4.117 -7.290 -11.747 1.00 0.00 C ATOM 1660 OD1 ASP B 12 3.813 -8.461 -11.900 1.00 0.00 O ATOM 1661 OD2 ASP B 12 4.874 -6.681 -12.484 1.00 0.00 O ATOM 0 H ASP B 12 2.276 -6.099 -8.456 1.00 0.00 H new ATOM 0 HA ASP B 12 3.759 -8.330 -9.386 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.427 -6.484 -10.664 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.880 -5.513 -10.538 1.00 0.00 H new ATOM 1666 N VAL B 13 5.644 -5.710 -8.636 1.00 0.00 N ATOM 1667 CA VAL B 13 7.050 -5.356 -8.283 1.00 0.00 C ATOM 1668 C VAL B 13 7.586 -6.346 -7.249 1.00 0.00 C ATOM 1669 O VAL B 13 8.761 -6.653 -7.222 1.00 0.00 O ATOM 1670 CB VAL B 13 7.101 -3.941 -7.700 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.508 -3.657 -7.179 1.00 0.00 C ATOM 1672 CG2 VAL B 13 6.757 -2.925 -8.787 1.00 0.00 C ATOM 0 H VAL B 13 4.989 -4.928 -8.650 1.00 0.00 H new ATOM 0 HA VAL B 13 7.663 -5.399 -9.184 1.00 0.00 H new ATOM 0 HB VAL B 13 6.382 -3.862 -6.885 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.546 -2.650 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.761 -4.379 -6.403 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.223 -3.739 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL B 13 6.794 -1.919 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.476 -3.006 -9.602 1.00 0.00 H new ATOM 0 HG23 VAL B 13 5.755 -3.124 -9.167 1.00 0.00 H new ATOM 1682 N PHE B 14 6.736 -6.848 -6.396 1.00 0.00 N ATOM 1683 CA PHE B 14 7.201 -7.817 -5.363 1.00 0.00 C ATOM 1684 C PHE B 14 7.745 -9.075 -6.043 1.00 0.00 C ATOM 1685 O PHE B 14 8.810 -9.559 -5.714 1.00 0.00 O ATOM 1686 CB PHE B 14 6.027 -8.196 -4.460 1.00 0.00 C ATOM 1687 CG PHE B 14 6.543 -8.917 -3.240 1.00 0.00 C ATOM 1688 CD1 PHE B 14 6.809 -10.291 -3.297 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.754 -8.212 -2.050 1.00 0.00 C ATOM 1690 CE1 PHE B 14 7.286 -10.958 -2.164 1.00 0.00 C ATOM 1691 CE2 PHE B 14 7.230 -8.880 -0.916 1.00 0.00 C ATOM 1692 CZ PHE B 14 7.496 -10.253 -0.974 1.00 0.00 C ATOM 0 H PHE B 14 5.740 -6.629 -6.369 1.00 0.00 H new ATOM 0 HA PHE B 14 7.990 -7.359 -4.767 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.480 -7.302 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.328 -8.832 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE B 14 6.646 -10.835 -4.216 1.00 0.00 H new ATOM 0 HD2 PHE B 14 6.550 -7.152 -2.007 1.00 0.00 H new ATOM 0 HE1 PHE B 14 7.492 -12.017 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE B 14 7.392 -8.337 0.003 1.00 0.00 H new ATOM 0 HZ PHE B 14 7.864 -10.769 -0.099 1.00 0.00 H new ATOM 1702 N HIS B 15 7.022 -9.612 -6.987 1.00 0.00 N ATOM 1703 CA HIS B 15 7.495 -10.841 -7.684 1.00 0.00 C ATOM 1704 C HIS B 15 8.614 -10.467 -8.668 1.00 0.00 C ATOM 1705 O HIS B 15 9.195 -11.317 -9.314 1.00 0.00 O ATOM 1706 CB HIS B 15 6.296 -11.500 -8.401 1.00 0.00 C ATOM 1707 CG HIS B 15 6.583 -11.736 -9.864 1.00 0.00 C ATOM 1708 ND1 HIS B 15 6.567 -10.710 -10.794 1.00 0.00 N ATOM 1709 CD2 HIS B 15 6.892 -12.875 -10.566 1.00 0.00 C ATOM 1710 CE1 HIS B 15 6.856 -11.246 -11.993 1.00 0.00 C ATOM 1711 NE2 HIS B 15 7.063 -12.563 -11.911 1.00 0.00 N ATOM 0 H HIS B 15 6.123 -9.252 -7.306 1.00 0.00 H new ATOM 0 HA HIS B 15 7.903 -11.558 -6.972 1.00 0.00 H new ATOM 0 HB2 HIS B 15 6.060 -12.448 -7.919 1.00 0.00 H new ATOM 0 HB3 HIS B 15 5.417 -10.864 -8.300 1.00 0.00 H new ATOM 0 HD2 HIS B 15 6.988 -13.862 -10.139 1.00 0.00 H new ATOM 0 HE1 HIS B 15 6.914 -10.680 -12.911 1.00 0.00 H new ATOM 0 HE2 HIS B 15 7.296 -13.202 -12.671 1.00 0.00 H new ATOM 1719 N GLN B 16 8.923 -9.204 -8.781 1.00 0.00 N ATOM 1720 CA GLN B 16 10.004 -8.780 -9.714 1.00 0.00 C ATOM 1721 C GLN B 16 11.306 -8.613 -8.930 1.00 0.00 C ATOM 1722 O GLN B 16 12.385 -8.846 -9.437 1.00 0.00 O ATOM 1723 CB GLN B 16 9.620 -7.448 -10.359 1.00 0.00 C ATOM 1724 CG GLN B 16 9.906 -7.506 -11.860 1.00 0.00 C ATOM 1725 CD GLN B 16 8.594 -7.370 -12.633 1.00 0.00 C ATOM 1726 OE1 GLN B 16 8.470 -6.528 -13.499 1.00 0.00 O ATOM 1727 NE2 GLN B 16 7.602 -8.170 -12.355 1.00 0.00 N ATOM 0 H GLN B 16 8.473 -8.447 -8.267 1.00 0.00 H new ATOM 0 HA GLN B 16 10.140 -9.533 -10.490 1.00 0.00 H new ATOM 0 HB2 GLN B 16 8.564 -7.240 -10.187 1.00 0.00 H new ATOM 0 HB3 GLN B 16 10.184 -6.635 -9.902 1.00 0.00 H new ATOM 0 HG2 GLN B 16 10.591 -6.707 -12.142 1.00 0.00 H new ATOM 0 HG3 GLN B 16 10.394 -8.448 -12.112 1.00 0.00 H new ATOM 0 HE21 GLN B 16 7.706 -8.877 -11.628 1.00 0.00 H new ATOM 0 HE22 GLN B 16 6.722 -8.088 -12.865 1.00 0.00 H new ATOM 1736 N TYR B 17 11.209 -8.215 -7.692 1.00 0.00 N ATOM 1737 CA TYR B 17 12.432 -8.034 -6.862 1.00 0.00 C ATOM 1738 C TYR B 17 12.572 -9.222 -5.908 1.00 0.00 C ATOM 1739 O TYR B 17 13.571 -9.913 -5.908 1.00 0.00 O ATOM 1740 CB TYR B 17 12.315 -6.740 -6.052 1.00 0.00 C ATOM 1741 CG TYR B 17 12.784 -5.572 -6.885 1.00 0.00 C ATOM 1742 CD1 TYR B 17 12.584 -5.572 -8.271 1.00 0.00 C ATOM 1743 CD2 TYR B 17 13.421 -4.486 -6.272 1.00 0.00 C ATOM 1744 CE1 TYR B 17 13.021 -4.488 -9.041 1.00 0.00 C ATOM 1745 CE2 TYR B 17 13.858 -3.403 -7.042 1.00 0.00 C ATOM 1746 CZ TYR B 17 13.658 -3.404 -8.427 1.00 0.00 C ATOM 1747 OH TYR B 17 14.090 -2.335 -9.185 1.00 0.00 O ATOM 0 H TYR B 17 10.331 -8.006 -7.217 1.00 0.00 H new ATOM 0 HA TYR B 17 13.308 -7.977 -7.508 1.00 0.00 H new ATOM 0 HB2 TYR B 17 11.281 -6.586 -5.742 1.00 0.00 H new ATOM 0 HB3 TYR B 17 12.912 -6.814 -5.143 1.00 0.00 H new ATOM 0 HD1 TYR B 17 12.093 -6.408 -8.746 1.00 0.00 H new ATOM 0 HD2 TYR B 17 13.575 -4.485 -5.203 1.00 0.00 H new ATOM 0 HE1 TYR B 17 12.866 -4.488 -10.110 1.00 0.00 H new ATOM 0 HE2 TYR B 17 14.350 -2.566 -6.568 1.00 0.00 H new ATOM 0 HH TYR B 17 13.725 -1.504 -8.816 1.00 0.00 H new ATOM 1757 N SER B 18 11.576 -9.467 -5.097 1.00 0.00 N ATOM 1758 CA SER B 18 11.648 -10.613 -4.146 1.00 0.00 C ATOM 1759 C SER B 18 12.231 -11.827 -4.869 1.00 0.00 C ATOM 1760 O SER B 18 12.939 -12.627 -4.291 1.00 0.00 O ATOM 1761 CB SER B 18 10.244 -10.950 -3.642 1.00 0.00 C ATOM 1762 OG SER B 18 10.340 -11.612 -2.386 1.00 0.00 O ATOM 0 H SER B 18 10.715 -8.922 -5.053 1.00 0.00 H new ATOM 0 HA SER B 18 12.281 -10.347 -3.300 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.653 -10.040 -3.542 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.730 -11.586 -4.363 1.00 0.00 H new ATOM 0 HG SER B 18 11.278 -11.646 -2.105 1.00 0.00 H new ATOM 1768 N GLY B 19 11.939 -11.966 -6.131 1.00 0.00 N ATOM 1769 CA GLY B 19 12.475 -13.124 -6.898 1.00 0.00 C ATOM 1770 C GLY B 19 13.964 -12.911 -7.171 1.00 0.00 C ATOM 1771 O GLY B 19 14.779 -12.922 -6.270 1.00 0.00 O ATOM 0 H GLY B 19 11.351 -11.327 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY B 19 12.326 -14.046 -6.336 1.00 0.00 H new ATOM 0 HA3 GLY B 19 11.934 -13.233 -7.838 1.00 0.00 H new ATOM 1775 N ARG B 20 14.327 -12.720 -8.410 1.00 0.00 N ATOM 1776 CA ARG B 20 15.764 -12.511 -8.744 1.00 0.00 C ATOM 1777 C ARG B 20 16.608 -13.595 -8.070 1.00 0.00 C ATOM 1778 O ARG B 20 17.791 -13.427 -7.851 1.00 0.00 O ATOM 1779 CB ARG B 20 16.211 -11.133 -8.246 1.00 0.00 C ATOM 1780 CG ARG B 20 15.413 -10.044 -8.966 1.00 0.00 C ATOM 1781 CD ARG B 20 16.100 -8.692 -8.766 1.00 0.00 C ATOM 1782 NE ARG B 20 16.429 -8.098 -10.092 1.00 0.00 N ATOM 1783 CZ ARG B 20 17.137 -7.003 -10.159 1.00 0.00 C ATOM 1784 NH1 ARG B 20 18.169 -6.846 -9.375 1.00 0.00 N ATOM 1785 NH2 ARG B 20 16.815 -6.068 -11.008 1.00 0.00 N ATOM 0 H ARG B 20 13.690 -12.700 -9.206 1.00 0.00 H new ATOM 0 HA ARG B 20 15.896 -12.567 -9.825 1.00 0.00 H new ATOM 0 HB2 ARG B 20 16.059 -11.057 -7.169 1.00 0.00 H new ATOM 0 HB3 ARG B 20 17.277 -10.997 -8.428 1.00 0.00 H new ATOM 0 HG2 ARG B 20 15.341 -10.274 -10.029 1.00 0.00 H new ATOM 0 HG3 ARG B 20 14.395 -10.008 -8.578 1.00 0.00 H new ATOM 0 HD2 ARG B 20 15.448 -8.021 -8.207 1.00 0.00 H new ATOM 0 HD3 ARG B 20 17.008 -8.818 -8.177 1.00 0.00 H new ATOM 0 HE ARG B 20 16.101 -8.547 -10.947 1.00 0.00 H new ATOM 0 HH11 ARG B 20 18.421 -7.578 -8.711 1.00 0.00 H new ATOM 0 HH12 ARG B 20 18.723 -5.991 -9.426 1.00 0.00 H new ATOM 0 HH21 ARG B 20 16.009 -6.191 -11.621 1.00 0.00 H new ATOM 0 HH22 ARG B 20 17.369 -5.213 -11.059 1.00 0.00 H new ATOM 1799 N GLU B 21 16.008 -14.705 -7.736 1.00 0.00 N ATOM 1800 CA GLU B 21 16.768 -15.797 -7.076 1.00 0.00 C ATOM 1801 C GLU B 21 15.982 -17.103 -7.192 1.00 0.00 C ATOM 1802 O GLU B 21 16.351 -18.000 -7.925 1.00 0.00 O ATOM 1803 CB GLU B 21 16.960 -15.449 -5.605 1.00 0.00 C ATOM 1804 CG GLU B 21 18.451 -15.305 -5.312 1.00 0.00 C ATOM 1805 CD GLU B 21 19.084 -16.691 -5.184 1.00 0.00 C ATOM 1806 OE1 GLU B 21 18.595 -17.473 -4.388 1.00 0.00 O ATOM 1807 OE2 GLU B 21 20.049 -16.947 -5.887 1.00 0.00 O ATOM 0 H GLU B 21 15.019 -14.900 -7.894 1.00 0.00 H new ATOM 0 HA GLU B 21 17.739 -15.915 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU B 21 16.440 -14.521 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU B 21 16.527 -16.227 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU B 21 18.937 -14.745 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU B 21 18.598 -14.740 -4.391 1.00 0.00 H new ATOM 1814 N GLY B 22 14.899 -17.218 -6.471 1.00 0.00 N ATOM 1815 CA GLY B 22 14.090 -18.468 -6.540 1.00 0.00 C ATOM 1816 C GLY B 22 12.961 -18.413 -5.511 1.00 0.00 C ATOM 1817 O GLY B 22 11.836 -18.776 -5.790 1.00 0.00 O ATOM 0 H GLY B 22 14.541 -16.502 -5.839 1.00 0.00 H new ATOM 0 HA2 GLY B 22 13.676 -18.589 -7.541 1.00 0.00 H new ATOM 0 HA3 GLY B 22 14.725 -19.334 -6.351 1.00 0.00 H new ATOM 1821 N ASP B 23 13.253 -17.968 -4.322 1.00 0.00 N ATOM 1822 CA ASP B 23 12.197 -17.896 -3.273 1.00 0.00 C ATOM 1823 C ASP B 23 10.958 -17.195 -3.837 1.00 0.00 C ATOM 1824 O ASP B 23 9.907 -17.789 -3.972 1.00 0.00 O ATOM 1825 CB ASP B 23 12.717 -17.121 -2.056 1.00 0.00 C ATOM 1826 CG ASP B 23 13.777 -16.103 -2.485 1.00 0.00 C ATOM 1827 OD1 ASP B 23 14.930 -16.486 -2.589 1.00 0.00 O ATOM 1828 OD2 ASP B 23 13.417 -14.956 -2.694 1.00 0.00 O ATOM 0 H ASP B 23 14.177 -17.651 -4.030 1.00 0.00 H new ATOM 0 HA ASP B 23 11.933 -18.908 -2.965 1.00 0.00 H new ATOM 0 HB2 ASP B 23 11.891 -16.609 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP B 23 13.142 -17.814 -1.330 1.00 0.00 H new ATOM 1833 N LYS B 24 11.073 -15.940 -4.172 1.00 0.00 N ATOM 1834 CA LYS B 24 9.902 -15.208 -4.729 1.00 0.00 C ATOM 1835 C LYS B 24 8.747 -15.235 -3.724 1.00 0.00 C ATOM 1836 O LYS B 24 7.596 -15.099 -4.087 1.00 0.00 O ATOM 1837 CB LYS B 24 9.454 -15.878 -6.032 1.00 0.00 C ATOM 1838 CG LYS B 24 10.664 -16.088 -6.945 1.00 0.00 C ATOM 1839 CD LYS B 24 10.221 -16.788 -8.232 1.00 0.00 C ATOM 1840 CE LYS B 24 9.373 -15.829 -9.070 1.00 0.00 C ATOM 1841 NZ LYS B 24 9.329 -16.308 -10.480 1.00 0.00 N ATOM 0 H LYS B 24 11.927 -15.390 -4.084 1.00 0.00 H new ATOM 0 HA LYS B 24 10.186 -14.174 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS B 24 8.979 -16.835 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS B 24 8.710 -15.259 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS B 24 11.125 -15.129 -7.181 1.00 0.00 H new ATOM 0 HG3 LYS B 24 11.418 -16.687 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS B 24 11.093 -17.111 -8.801 1.00 0.00 H new ATOM 0 HD3 LYS B 24 9.647 -17.683 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS B 24 8.363 -15.769 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS B 24 9.793 -14.824 -9.029 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 8.753 -15.657 -11.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 10.295 -16.343 -10.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 8.909 -17.259 -10.511 1.00 0.00 H new ATOM 1855 N HIS B 25 9.040 -15.411 -2.464 1.00 0.00 N ATOM 1856 CA HIS B 25 7.948 -15.448 -1.447 1.00 0.00 C ATOM 1857 C HIS B 25 8.409 -14.751 -0.162 1.00 0.00 C ATOM 1858 O HIS B 25 7.743 -14.799 0.852 1.00 0.00 O ATOM 1859 CB HIS B 25 7.593 -16.905 -1.141 1.00 0.00 C ATOM 1860 CG HIS B 25 6.622 -17.414 -2.172 1.00 0.00 C ATOM 1861 ND1 HIS B 25 6.487 -18.764 -2.457 1.00 0.00 N ATOM 1862 CD2 HIS B 25 5.737 -16.766 -2.997 1.00 0.00 C ATOM 1863 CE1 HIS B 25 5.552 -18.884 -3.417 1.00 0.00 C ATOM 1864 NE2 HIS B 25 5.063 -17.697 -3.782 1.00 0.00 N ATOM 0 H HIS B 25 9.983 -15.530 -2.095 1.00 0.00 H new ATOM 0 HA HIS B 25 7.072 -14.931 -1.838 1.00 0.00 H new ATOM 0 HB2 HIS B 25 8.495 -17.518 -1.142 1.00 0.00 H new ATOM 0 HB3 HIS B 25 7.156 -16.982 -0.145 1.00 0.00 H new ATOM 0 HD2 HIS B 25 5.587 -15.697 -3.032 1.00 0.00 H new ATOM 0 HE1 HIS B 25 5.236 -19.826 -3.841 1.00 0.00 H new ATOM 0 HE2 HIS B 25 4.348 -17.512 -4.486 1.00 0.00 H new ATOM 1872 N LYS B 26 9.542 -14.103 -0.197 1.00 0.00 N ATOM 1873 CA LYS B 26 10.041 -13.403 1.022 1.00 0.00 C ATOM 1874 C LYS B 26 10.883 -12.199 0.600 1.00 0.00 C ATOM 1875 O LYS B 26 11.696 -12.286 -0.298 1.00 0.00 O ATOM 1876 CB LYS B 26 10.902 -14.360 1.845 1.00 0.00 C ATOM 1877 CG LYS B 26 12.146 -14.746 1.043 1.00 0.00 C ATOM 1878 CD LYS B 26 13.322 -13.865 1.471 1.00 0.00 C ATOM 1879 CE LYS B 26 14.491 -14.751 1.903 1.00 0.00 C ATOM 1880 NZ LYS B 26 14.336 -15.106 3.341 1.00 0.00 N ATOM 0 H LYS B 26 10.144 -14.028 -1.017 1.00 0.00 H new ATOM 0 HA LYS B 26 9.195 -13.069 1.623 1.00 0.00 H new ATOM 0 HB2 LYS B 26 11.193 -13.888 2.783 1.00 0.00 H new ATOM 0 HB3 LYS B 26 10.330 -15.252 2.101 1.00 0.00 H new ATOM 0 HG2 LYS B 26 12.386 -15.797 1.207 1.00 0.00 H new ATOM 0 HG3 LYS B 26 11.956 -14.625 -0.024 1.00 0.00 H new ATOM 0 HD2 LYS B 26 13.626 -13.220 0.647 1.00 0.00 H new ATOM 0 HD3 LYS B 26 13.023 -13.214 2.292 1.00 0.00 H new ATOM 0 HE2 LYS B 26 14.521 -15.655 1.295 1.00 0.00 H new ATOM 0 HE3 LYS B 26 15.435 -14.229 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 15.130 -15.709 3.637 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 14.328 -14.238 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 13.442 -15.619 3.477 1.00 0.00 H new ATOM 1894 N LEU B 27 10.700 -11.078 1.239 1.00 0.00 N ATOM 1895 CA LEU B 27 11.496 -9.878 0.866 1.00 0.00 C ATOM 1896 C LEU B 27 12.670 -9.723 1.830 1.00 0.00 C ATOM 1897 O LEU B 27 12.981 -10.612 2.596 1.00 0.00 O ATOM 1898 CB LEU B 27 10.610 -8.632 0.945 1.00 0.00 C ATOM 1899 CG LEU B 27 10.527 -7.980 -0.434 1.00 0.00 C ATOM 1900 CD1 LEU B 27 11.869 -7.329 -0.774 1.00 0.00 C ATOM 1901 CD2 LEU B 27 10.201 -9.046 -1.481 1.00 0.00 C ATOM 0 H LEU B 27 10.036 -10.942 2.001 1.00 0.00 H new ATOM 0 HA LEU B 27 11.872 -9.996 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU B 27 9.613 -8.903 1.292 1.00 0.00 H new ATOM 0 HB3 LEU B 27 11.019 -7.927 1.669 1.00 0.00 H new ATOM 0 HG LEU B 27 9.745 -7.220 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU B 27 11.809 -6.864 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU B 27 12.105 -6.570 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.651 -8.088 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU B 27 10.141 -8.583 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU B 27 10.984 -9.805 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU B 27 9.245 -9.512 -1.241 1.00 0.00 H new ATOM 1913 N LYS B 28 13.323 -8.598 1.797 1.00 0.00 N ATOM 1914 CA LYS B 28 14.474 -8.370 2.708 1.00 0.00 C ATOM 1915 C LYS B 28 14.571 -6.875 3.009 1.00 0.00 C ATOM 1916 O LYS B 28 14.561 -6.057 2.116 1.00 0.00 O ATOM 1917 CB LYS B 28 15.763 -8.845 2.036 1.00 0.00 C ATOM 1918 CG LYS B 28 16.463 -9.849 2.950 1.00 0.00 C ATOM 1919 CD LYS B 28 17.432 -10.704 2.130 1.00 0.00 C ATOM 1920 CE LYS B 28 18.870 -10.350 2.510 1.00 0.00 C ATOM 1921 NZ LYS B 28 19.720 -11.572 2.432 1.00 0.00 N ATOM 0 H LYS B 28 13.107 -7.821 1.173 1.00 0.00 H new ATOM 0 HA LYS B 28 14.332 -8.927 3.634 1.00 0.00 H new ATOM 0 HB2 LYS B 28 15.538 -9.306 1.074 1.00 0.00 H new ATOM 0 HB3 LYS B 28 16.418 -7.997 1.838 1.00 0.00 H new ATOM 0 HG2 LYS B 28 17.003 -9.323 3.737 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.726 -10.486 3.439 1.00 0.00 H new ATOM 0 HD2 LYS B 28 17.246 -11.762 2.314 1.00 0.00 H new ATOM 0 HD3 LYS B 28 17.273 -10.533 1.065 1.00 0.00 H new ATOM 0 HE2 LYS B 28 19.256 -9.582 1.840 1.00 0.00 H new ATOM 0 HE3 LYS B 28 18.900 -9.937 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 20.698 -11.332 2.690 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 19.355 -12.291 3.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 19.700 -11.947 1.462 1.00 0.00 H new ATOM 1935 N LYS B 29 14.652 -6.508 4.256 1.00 0.00 N ATOM 1936 CA LYS B 29 14.734 -5.057 4.602 1.00 0.00 C ATOM 1937 C LYS B 29 15.710 -4.343 3.659 1.00 0.00 C ATOM 1938 O LYS B 29 15.623 -3.150 3.457 1.00 0.00 O ATOM 1939 CB LYS B 29 15.201 -4.879 6.054 1.00 0.00 C ATOM 1940 CG LYS B 29 16.000 -6.101 6.511 1.00 0.00 C ATOM 1941 CD LYS B 29 16.686 -5.788 7.841 1.00 0.00 C ATOM 1942 CE LYS B 29 15.896 -6.428 8.984 1.00 0.00 C ATOM 1943 NZ LYS B 29 15.308 -5.360 9.841 1.00 0.00 N ATOM 0 H LYS B 29 14.665 -7.146 5.052 1.00 0.00 H new ATOM 0 HA LYS B 29 13.742 -4.620 4.491 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.816 -3.983 6.138 1.00 0.00 H new ATOM 0 HB3 LYS B 29 14.339 -4.736 6.705 1.00 0.00 H new ATOM 0 HG2 LYS B 29 15.339 -6.961 6.623 1.00 0.00 H new ATOM 0 HG3 LYS B 29 16.743 -6.366 5.759 1.00 0.00 H new ATOM 0 HD2 LYS B 29 17.708 -6.167 7.834 1.00 0.00 H new ATOM 0 HD3 LYS B 29 16.747 -4.709 7.986 1.00 0.00 H new ATOM 0 HE2 LYS B 29 15.106 -7.063 8.583 1.00 0.00 H new ATOM 0 HE3 LYS B 29 16.549 -7.067 9.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 14.477 -5.735 10.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 16.016 -5.042 10.534 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 15.020 -4.557 9.246 1.00 0.00 H new ATOM 1957 N SER B 30 16.640 -5.054 3.081 1.00 0.00 N ATOM 1958 CA SER B 30 17.609 -4.395 2.158 1.00 0.00 C ATOM 1959 C SER B 30 16.947 -4.144 0.800 1.00 0.00 C ATOM 1960 O SER B 30 17.066 -3.077 0.234 1.00 0.00 O ATOM 1961 CB SER B 30 18.828 -5.298 1.972 1.00 0.00 C ATOM 1962 OG SER B 30 19.806 -4.972 2.952 1.00 0.00 O ATOM 0 H SER B 30 16.771 -6.058 3.207 1.00 0.00 H new ATOM 0 HA SER B 30 17.921 -3.442 2.585 1.00 0.00 H new ATOM 0 HB2 SER B 30 18.538 -6.345 2.065 1.00 0.00 H new ATOM 0 HB3 SER B 30 19.241 -5.169 0.972 1.00 0.00 H new ATOM 0 HG SER B 30 19.841 -5.681 3.627 1.00 0.00 H new ATOM 1968 N GLU B 31 16.246 -5.113 0.273 1.00 0.00 N ATOM 1969 CA GLU B 31 15.579 -4.912 -1.041 1.00 0.00 C ATOM 1970 C GLU B 31 14.364 -4.014 -0.840 1.00 0.00 C ATOM 1971 O GLU B 31 13.822 -3.468 -1.775 1.00 0.00 O ATOM 1972 CB GLU B 31 15.138 -6.264 -1.608 1.00 0.00 C ATOM 1973 CG GLU B 31 14.629 -6.079 -3.038 1.00 0.00 C ATOM 1974 CD GLU B 31 15.604 -6.736 -4.016 1.00 0.00 C ATOM 1975 OE1 GLU B 31 15.615 -7.954 -4.083 1.00 0.00 O ATOM 1976 OE2 GLU B 31 16.323 -6.009 -4.683 1.00 0.00 O ATOM 0 H GLU B 31 16.108 -6.031 0.696 1.00 0.00 H new ATOM 0 HA GLU B 31 16.271 -4.446 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU B 31 15.973 -6.965 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU B 31 14.353 -6.693 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU B 31 13.639 -6.522 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU B 31 14.529 -5.018 -3.265 1.00 0.00 H new ATOM 1983 N LEU B 32 13.947 -3.841 0.383 1.00 0.00 N ATOM 1984 CA LEU B 32 12.792 -2.951 0.656 1.00 0.00 C ATOM 1985 C LEU B 32 13.316 -1.521 0.677 1.00 0.00 C ATOM 1986 O LEU B 32 12.780 -0.636 0.047 1.00 0.00 O ATOM 1987 CB LEU B 32 12.177 -3.296 2.012 1.00 0.00 C ATOM 1988 CG LEU B 32 11.211 -2.187 2.430 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.154 -1.993 1.343 1.00 0.00 C ATOM 1990 CD2 LEU B 32 10.525 -2.576 3.742 1.00 0.00 C ATOM 0 H LEU B 32 14.360 -4.280 1.206 1.00 0.00 H new ATOM 0 HA LEU B 32 12.024 -3.072 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU B 32 11.650 -4.249 1.953 1.00 0.00 H new ATOM 0 HB3 LEU B 32 12.961 -3.411 2.760 1.00 0.00 H new ATOM 0 HG LEU B 32 11.764 -1.258 2.569 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.466 -1.202 1.642 1.00 0.00 H new ATOM 0 HD12 LEU B 32 10.641 -1.716 0.408 1.00 0.00 H new ATOM 0 HD13 LEU B 32 9.601 -2.922 1.203 1.00 0.00 H new ATOM 0 HD21 LEU B 32 9.836 -1.786 4.041 1.00 0.00 H new ATOM 0 HD22 LEU B 32 9.973 -3.505 3.602 1.00 0.00 H new ATOM 0 HD23 LEU B 32 11.277 -2.714 4.519 1.00 0.00 H new ATOM 2002 N LYS B 33 14.388 -1.308 1.390 1.00 0.00 N ATOM 2003 CA LYS B 33 14.998 0.046 1.459 1.00 0.00 C ATOM 2004 C LYS B 33 15.188 0.571 0.040 1.00 0.00 C ATOM 2005 O LYS B 33 14.922 1.720 -0.254 1.00 0.00 O ATOM 2006 CB LYS B 33 16.358 -0.064 2.147 1.00 0.00 C ATOM 2007 CG LYS B 33 16.772 1.299 2.703 1.00 0.00 C ATOM 2008 CD LYS B 33 18.296 1.361 2.818 1.00 0.00 C ATOM 2009 CE LYS B 33 18.774 0.345 3.857 1.00 0.00 C ATOM 2010 NZ LYS B 33 20.091 0.777 4.404 1.00 0.00 N ATOM 0 H LYS B 33 14.871 -2.024 1.933 1.00 0.00 H new ATOM 0 HA LYS B 33 14.355 0.725 2.019 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.309 -0.796 2.953 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.106 -0.420 1.438 1.00 0.00 H new ATOM 0 HG2 LYS B 33 16.413 2.094 2.050 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.316 1.459 3.680 1.00 0.00 H new ATOM 0 HD2 LYS B 33 18.753 1.150 1.851 1.00 0.00 H new ATOM 0 HD3 LYS B 33 18.609 2.365 3.106 1.00 0.00 H new ATOM 0 HE2 LYS B 33 18.044 0.261 4.662 1.00 0.00 H new ATOM 0 HE3 LYS B 33 18.863 -0.642 3.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 20.417 0.087 5.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 20.785 0.836 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 19.992 1.710 4.852 1.00 0.00 H new ATOM 2024 N GLU B 34 15.640 -0.273 -0.844 1.00 0.00 N ATOM 2025 CA GLU B 34 15.843 0.154 -2.251 1.00 0.00 C ATOM 2026 C GLU B 34 14.475 0.261 -2.923 1.00 0.00 C ATOM 2027 O GLU B 34 14.177 1.205 -3.623 1.00 0.00 O ATOM 2028 CB GLU B 34 16.724 -0.888 -2.964 1.00 0.00 C ATOM 2029 CG GLU B 34 15.878 -2.055 -3.483 1.00 0.00 C ATOM 2030 CD GLU B 34 16.732 -2.940 -4.391 1.00 0.00 C ATOM 2031 OE1 GLU B 34 17.652 -3.561 -3.885 1.00 0.00 O ATOM 2032 OE2 GLU B 34 16.454 -2.981 -5.577 1.00 0.00 O ATOM 0 H GLU B 34 15.878 -1.245 -0.649 1.00 0.00 H new ATOM 0 HA GLU B 34 16.341 1.122 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.251 -0.418 -3.794 1.00 0.00 H new ATOM 0 HB3 GLU B 34 17.482 -1.261 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU B 34 15.492 -2.638 -2.647 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.016 -1.677 -4.032 1.00 0.00 H new ATOM 2039 N LEU B 35 13.641 -0.709 -2.692 1.00 0.00 N ATOM 2040 CA LEU B 35 12.280 -0.695 -3.290 1.00 0.00 C ATOM 2041 C LEU B 35 11.688 0.707 -3.154 1.00 0.00 C ATOM 2042 O LEU B 35 11.061 1.218 -4.060 1.00 0.00 O ATOM 2043 CB LEU B 35 11.400 -1.699 -2.540 1.00 0.00 C ATOM 2044 CG LEU B 35 10.517 -2.453 -3.534 1.00 0.00 C ATOM 2045 CD1 LEU B 35 9.536 -1.481 -4.191 1.00 0.00 C ATOM 2046 CD2 LEU B 35 11.395 -3.093 -4.611 1.00 0.00 C ATOM 0 H LEU B 35 13.846 -1.520 -2.108 1.00 0.00 H new ATOM 0 HA LEU B 35 12.330 -0.966 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.023 -2.402 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU B 35 10.780 -1.179 -1.809 1.00 0.00 H new ATOM 0 HG LEU B 35 9.961 -3.228 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.908 -2.021 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.909 -1.024 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU B 35 10.091 -0.704 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.766 -3.631 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.952 -2.316 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.093 -3.788 -4.145 1.00 0.00 H new ATOM 2058 N ILE B 36 11.884 1.335 -2.027 1.00 0.00 N ATOM 2059 CA ILE B 36 11.332 2.704 -1.831 1.00 0.00 C ATOM 2060 C ILE B 36 12.244 3.733 -2.499 1.00 0.00 C ATOM 2061 O ILE B 36 11.853 4.415 -3.422 1.00 0.00 O ATOM 2062 CB ILE B 36 11.234 3.018 -0.336 1.00 0.00 C ATOM 2063 CG1 ILE B 36 11.014 1.722 0.453 1.00 0.00 C ATOM 2064 CG2 ILE B 36 10.063 3.974 -0.097 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.485 2.045 1.853 1.00 0.00 C ATOM 0 H ILE B 36 12.403 0.959 -1.234 1.00 0.00 H new ATOM 0 HA ILE B 36 10.339 2.749 -2.279 1.00 0.00 H new ATOM 0 HB ILE B 36 12.160 3.485 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.306 1.082 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE B 36 11.950 1.169 0.528 1.00 0.00 H new ATOM 0 HG21 ILE B 36 9.989 4.200 0.967 1.00 0.00 H new ATOM 0 HG22 ILE B 36 10.227 4.897 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE B 36 9.137 3.507 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE B 36 10.331 1.119 2.407 1.00 0.00 H new ATOM 0 HD12 ILE B 36 11.208 2.667 2.380 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.538 2.579 1.770 1.00 0.00 H new ATOM 2077 N ASN B 37 13.457 3.860 -2.033 1.00 0.00 N ATOM 2078 CA ASN B 37 14.380 4.859 -2.634 1.00 0.00 C ATOM 2079 C ASN B 37 14.716 4.464 -4.075 1.00 0.00 C ATOM 2080 O ASN B 37 14.430 5.187 -5.009 1.00 0.00 O ATOM 2081 CB ASN B 37 15.668 4.926 -1.811 1.00 0.00 C ATOM 2082 CG ASN B 37 16.570 6.031 -2.364 1.00 0.00 C ATOM 2083 OD1 ASN B 37 16.693 6.186 -3.563 1.00 0.00 O ATOM 2084 ND2 ASN B 37 17.210 6.811 -1.537 1.00 0.00 N ATOM 0 H ASN B 37 13.846 3.315 -1.263 1.00 0.00 H new ATOM 0 HA ASN B 37 13.895 5.835 -2.635 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.434 5.123 -0.765 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.185 3.967 -1.847 1.00 0.00 H new ATOM 0 HD21 ASN B 37 17.813 7.551 -1.897 1.00 0.00 H new ATOM 0 HD22 ASN B 37 17.107 6.681 -0.531 1.00 0.00 H new ATOM 2091 N ASN B 38 15.331 3.330 -4.262 1.00 0.00 N ATOM 2092 CA ASN B 38 15.698 2.894 -5.639 1.00 0.00 C ATOM 2093 C ASN B 38 14.537 3.149 -6.604 1.00 0.00 C ATOM 2094 O ASN B 38 14.730 3.625 -7.704 1.00 0.00 O ATOM 2095 CB ASN B 38 16.024 1.399 -5.633 1.00 0.00 C ATOM 2096 CG ASN B 38 16.586 0.992 -6.995 1.00 0.00 C ATOM 2097 OD1 ASN B 38 17.767 1.127 -7.245 1.00 0.00 O ATOM 2098 ND2 ASN B 38 15.782 0.494 -7.894 1.00 0.00 N ATOM 0 H ASN B 38 15.596 2.684 -3.519 1.00 0.00 H new ATOM 0 HA ASN B 38 16.568 3.463 -5.966 1.00 0.00 H new ATOM 0 HB2 ASN B 38 16.748 1.177 -4.849 1.00 0.00 H new ATOM 0 HB3 ASN B 38 15.127 0.822 -5.411 1.00 0.00 H new ATOM 0 HD21 ASN B 38 16.145 0.218 -8.806 1.00 0.00 H new ATOM 0 HD22 ASN B 38 14.790 0.380 -7.684 1.00 0.00 H new ATOM 2105 N GLU B 39 13.335 2.822 -6.215 1.00 0.00 N ATOM 2106 CA GLU B 39 12.177 3.032 -7.129 1.00 0.00 C ATOM 2107 C GLU B 39 11.532 4.400 -6.885 1.00 0.00 C ATOM 2108 O GLU B 39 11.697 5.318 -7.663 1.00 0.00 O ATOM 2109 CB GLU B 39 11.140 1.934 -6.892 1.00 0.00 C ATOM 2110 CG GLU B 39 10.846 1.218 -8.213 1.00 0.00 C ATOM 2111 CD GLU B 39 12.101 0.481 -8.683 1.00 0.00 C ATOM 2112 OE1 GLU B 39 13.006 1.142 -9.165 1.00 0.00 O ATOM 2113 OE2 GLU B 39 12.137 -0.731 -8.553 1.00 0.00 O ATOM 0 H GLU B 39 13.105 2.420 -5.306 1.00 0.00 H new ATOM 0 HA GLU B 39 12.534 2.994 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU B 39 11.510 1.222 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU B 39 10.224 2.365 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU B 39 10.025 0.513 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU B 39 10.530 1.939 -8.967 1.00 0.00 H new ATOM 2120 N LEU B 40 10.783 4.540 -5.825 1.00 0.00 N ATOM 2121 CA LEU B 40 10.112 5.837 -5.549 1.00 0.00 C ATOM 2122 C LEU B 40 11.150 6.962 -5.481 1.00 0.00 C ATOM 2123 O LEU B 40 11.531 7.523 -6.488 1.00 0.00 O ATOM 2124 CB LEU B 40 9.360 5.734 -4.223 1.00 0.00 C ATOM 2125 CG LEU B 40 8.270 4.666 -4.342 1.00 0.00 C ATOM 2126 CD1 LEU B 40 7.408 4.666 -3.079 1.00 0.00 C ATOM 2127 CD2 LEU B 40 7.393 4.971 -5.558 1.00 0.00 C ATOM 0 H LEU B 40 10.608 3.807 -5.137 1.00 0.00 H new ATOM 0 HA LEU B 40 9.409 6.064 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU B 40 10.050 5.478 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU B 40 8.916 6.696 -3.968 1.00 0.00 H new ATOM 0 HG LEU B 40 8.734 3.687 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.633 3.904 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.032 4.449 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU B 40 6.943 5.644 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU B 40 6.616 4.212 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU B 40 6.931 5.951 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.006 4.968 -6.459 1.00 0.00 H new ATOM 2139 N SER B 41 11.606 7.299 -4.306 1.00 0.00 N ATOM 2140 CA SER B 41 12.615 8.392 -4.180 1.00 0.00 C ATOM 2141 C SER B 41 12.235 9.553 -5.103 1.00 0.00 C ATOM 2142 O SER B 41 12.846 9.761 -6.132 1.00 0.00 O ATOM 2143 CB SER B 41 13.994 7.864 -4.574 1.00 0.00 C ATOM 2144 OG SER B 41 14.933 8.929 -4.533 1.00 0.00 O ATOM 0 H SER B 41 11.324 6.865 -3.427 1.00 0.00 H new ATOM 0 HA SER B 41 12.639 8.741 -3.148 1.00 0.00 H new ATOM 0 HB2 SER B 41 14.299 7.068 -3.895 1.00 0.00 H new ATOM 0 HB3 SER B 41 13.959 7.433 -5.575 1.00 0.00 H new ATOM 0 HG SER B 41 15.819 8.594 -4.784 1.00 0.00 H new ATOM 2150 N HIS B 42 11.233 10.311 -4.749 1.00 0.00 N ATOM 2151 CA HIS B 42 10.826 11.452 -5.617 1.00 0.00 C ATOM 2152 C HIS B 42 10.252 12.581 -4.757 1.00 0.00 C ATOM 2153 O HIS B 42 10.590 13.735 -4.926 1.00 0.00 O ATOM 2154 CB HIS B 42 9.766 10.982 -6.614 1.00 0.00 C ATOM 2155 CG HIS B 42 10.168 11.397 -8.002 1.00 0.00 C ATOM 2156 ND1 HIS B 42 9.681 10.763 -9.134 1.00 0.00 N ATOM 2157 CD2 HIS B 42 11.012 12.379 -8.456 1.00 0.00 C ATOM 2158 CE1 HIS B 42 10.231 11.364 -10.203 1.00 0.00 C ATOM 2159 NE2 HIS B 42 11.052 12.356 -9.846 1.00 0.00 N ATOM 0 H HIS B 42 10.681 10.190 -3.900 1.00 0.00 H new ATOM 0 HA HIS B 42 11.698 11.820 -6.157 1.00 0.00 H new ATOM 0 HB2 HIS B 42 9.658 9.899 -6.563 1.00 0.00 H new ATOM 0 HB3 HIS B 42 8.797 11.411 -6.361 1.00 0.00 H new ATOM 0 HD2 HIS B 42 11.562 13.065 -7.829 1.00 0.00 H new ATOM 0 HE1 HIS B 42 10.033 11.080 -11.226 1.00 0.00 H new ATOM 0 HE2 HIS B 42 11.592 12.965 -10.461 1.00 0.00 H new ATOM 2167 N PHE B 43 9.384 12.260 -3.837 1.00 0.00 N ATOM 2168 CA PHE B 43 8.791 13.323 -2.971 1.00 0.00 C ATOM 2169 C PHE B 43 9.542 13.365 -1.639 1.00 0.00 C ATOM 2170 O PHE B 43 9.199 12.675 -0.701 1.00 0.00 O ATOM 2171 CB PHE B 43 7.303 13.038 -2.706 1.00 0.00 C ATOM 2172 CG PHE B 43 6.853 11.812 -3.470 1.00 0.00 C ATOM 2173 CD1 PHE B 43 7.000 10.541 -2.903 1.00 0.00 C ATOM 2174 CD2 PHE B 43 6.292 11.949 -4.745 1.00 0.00 C ATOM 2175 CE1 PHE B 43 6.586 9.407 -3.611 1.00 0.00 C ATOM 2176 CE2 PHE B 43 5.878 10.814 -5.453 1.00 0.00 C ATOM 2177 CZ PHE B 43 6.025 9.543 -4.886 1.00 0.00 C ATOM 0 H PHE B 43 9.060 11.312 -3.647 1.00 0.00 H new ATOM 0 HA PHE B 43 8.879 14.282 -3.482 1.00 0.00 H new ATOM 0 HB2 PHE B 43 7.140 12.889 -1.639 1.00 0.00 H new ATOM 0 HB3 PHE B 43 6.704 13.899 -3.003 1.00 0.00 H new ATOM 0 HD1 PHE B 43 7.433 10.435 -1.919 1.00 0.00 H new ATOM 0 HD2 PHE B 43 6.178 12.930 -5.183 1.00 0.00 H new ATOM 0 HE1 PHE B 43 6.699 8.426 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE B 43 5.445 10.920 -6.437 1.00 0.00 H new ATOM 0 HZ PHE B 43 5.706 8.668 -5.432 1.00 0.00 H new ATOM 2187 N LEU B 44 10.564 14.171 -1.550 1.00 0.00 N ATOM 2188 CA LEU B 44 11.337 14.255 -0.280 1.00 0.00 C ATOM 2189 C LEU B 44 11.791 15.699 -0.054 1.00 0.00 C ATOM 2190 O LEU B 44 12.961 16.013 -0.143 1.00 0.00 O ATOM 2191 CB LEU B 44 12.563 13.345 -0.371 1.00 0.00 C ATOM 2192 CG LEU B 44 12.189 11.941 0.106 1.00 0.00 C ATOM 2193 CD1 LEU B 44 12.545 10.923 -0.979 1.00 0.00 C ATOM 2194 CD2 LEU B 44 12.962 11.616 1.384 1.00 0.00 C ATOM 0 H LEU B 44 10.897 14.775 -2.302 1.00 0.00 H new ATOM 0 HA LEU B 44 10.707 13.937 0.551 1.00 0.00 H new ATOM 0 HB2 LEU B 44 12.926 13.307 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU B 44 13.373 13.745 0.239 1.00 0.00 H new ATOM 0 HG LEU B 44 11.119 11.897 0.308 1.00 0.00 H new ATOM 0 HD11 LEU B 44 12.279 9.922 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU B 44 11.995 11.156 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU B 44 13.615 10.965 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU B 44 12.696 10.615 1.725 1.00 0.00 H new ATOM 0 HD22 LEU B 44 14.032 11.659 1.183 1.00 0.00 H new ATOM 0 HD23 LEU B 44 12.709 12.342 2.157 1.00 0.00 H new ATOM 2206 N GLU B 45 10.874 16.581 0.237 1.00 0.00 N ATOM 2207 CA GLU B 45 11.255 18.003 0.467 1.00 0.00 C ATOM 2208 C GLU B 45 10.636 18.494 1.775 1.00 0.00 C ATOM 2209 O GLU B 45 11.308 19.041 2.626 1.00 0.00 O ATOM 2210 CB GLU B 45 10.745 18.862 -0.690 1.00 0.00 C ATOM 2211 CG GLU B 45 11.125 18.207 -2.020 1.00 0.00 C ATOM 2212 CD GLU B 45 12.081 19.122 -2.784 1.00 0.00 C ATOM 2213 OE1 GLU B 45 11.600 20.029 -3.443 1.00 0.00 O ATOM 2214 OE2 GLU B 45 13.277 18.903 -2.697 1.00 0.00 O ATOM 0 H GLU B 45 9.878 16.378 0.325 1.00 0.00 H new ATOM 0 HA GLU B 45 12.341 18.081 0.527 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.663 18.974 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU B 45 11.173 19.863 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU B 45 11.596 17.240 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.231 18.020 -2.614 1.00 0.00 H new ATOM 2221 N GLU B 46 9.359 18.305 1.937 1.00 0.00 N ATOM 2222 CA GLU B 46 8.689 18.762 3.188 1.00 0.00 C ATOM 2223 C GLU B 46 8.077 17.560 3.905 1.00 0.00 C ATOM 2224 O GLU B 46 6.874 17.424 3.994 1.00 0.00 O ATOM 2225 CB GLU B 46 7.588 19.764 2.840 1.00 0.00 C ATOM 2226 CG GLU B 46 8.212 21.013 2.217 1.00 0.00 C ATOM 2227 CD GLU B 46 8.242 20.863 0.695 1.00 0.00 C ATOM 2228 OE1 GLU B 46 7.780 19.843 0.210 1.00 0.00 O ATOM 2229 OE2 GLU B 46 8.729 21.769 0.041 1.00 0.00 O ATOM 0 H GLU B 46 8.747 17.853 1.257 1.00 0.00 H new ATOM 0 HA GLU B 46 9.421 19.240 3.839 1.00 0.00 H new ATOM 0 HB2 GLU B 46 6.879 19.314 2.145 1.00 0.00 H new ATOM 0 HB3 GLU B 46 7.029 20.032 3.737 1.00 0.00 H new ATOM 0 HG2 GLU B 46 7.638 21.897 2.495 1.00 0.00 H new ATOM 0 HG3 GLU B 46 9.223 21.157 2.599 1.00 0.00 H new ATOM 2236 N ILE B 47 8.896 16.683 4.417 1.00 0.00 N ATOM 2237 CA ILE B 47 8.360 15.488 5.127 1.00 0.00 C ATOM 2238 C ILE B 47 7.608 15.933 6.382 1.00 0.00 C ATOM 2239 O ILE B 47 8.124 16.668 7.200 1.00 0.00 O ATOM 2240 CB ILE B 47 9.517 14.571 5.525 1.00 0.00 C ATOM 2241 CG1 ILE B 47 10.225 14.069 4.264 1.00 0.00 C ATOM 2242 CG2 ILE B 47 8.975 13.380 6.313 1.00 0.00 C ATOM 2243 CD1 ILE B 47 11.723 14.354 4.369 1.00 0.00 C ATOM 0 H ILE B 47 9.913 16.742 4.374 1.00 0.00 H new ATOM 0 HA ILE B 47 7.679 14.950 4.468 1.00 0.00 H new ATOM 0 HB ILE B 47 10.224 15.124 6.144 1.00 0.00 H new ATOM 0 HG12 ILE B 47 10.056 12.999 4.141 1.00 0.00 H new ATOM 0 HG13 ILE B 47 9.812 14.560 3.383 1.00 0.00 H new ATOM 0 HG21 ILE B 47 9.799 12.726 6.597 1.00 0.00 H new ATOM 0 HG22 ILE B 47 8.470 13.737 7.210 1.00 0.00 H new ATOM 0 HG23 ILE B 47 8.269 12.826 5.695 1.00 0.00 H new ATOM 0 HD11 ILE B 47 12.225 13.996 3.470 1.00 0.00 H new ATOM 0 HD12 ILE B 47 11.883 15.427 4.471 1.00 0.00 H new ATOM 0 HD13 ILE B 47 12.131 13.842 5.241 1.00 0.00 H new ATOM 2255 N LYS B 48 6.392 15.488 6.544 1.00 0.00 N ATOM 2256 CA LYS B 48 5.608 15.881 7.748 1.00 0.00 C ATOM 2257 C LYS B 48 5.684 14.760 8.787 1.00 0.00 C ATOM 2258 O LYS B 48 5.765 15.007 9.974 1.00 0.00 O ATOM 2259 CB LYS B 48 4.148 16.118 7.356 1.00 0.00 C ATOM 2260 CG LYS B 48 3.797 17.593 7.565 1.00 0.00 C ATOM 2261 CD LYS B 48 2.431 17.887 6.943 1.00 0.00 C ATOM 2262 CE LYS B 48 1.933 19.252 7.423 1.00 0.00 C ATOM 2263 NZ LYS B 48 0.466 19.357 7.182 1.00 0.00 N ATOM 0 H LYS B 48 5.908 14.869 5.894 1.00 0.00 H new ATOM 0 HA LYS B 48 6.020 16.798 8.168 1.00 0.00 H new ATOM 0 HB2 LYS B 48 3.990 15.840 6.314 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.492 15.488 7.957 1.00 0.00 H new ATOM 0 HG2 LYS B 48 3.781 17.826 8.630 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.559 18.227 7.111 1.00 0.00 H new ATOM 0 HD2 LYS B 48 2.505 17.877 5.856 1.00 0.00 H new ATOM 0 HD3 LYS B 48 1.719 17.110 7.221 1.00 0.00 H new ATOM 0 HE2 LYS B 48 2.148 19.377 8.484 1.00 0.00 H new ATOM 0 HE3 LYS B 48 2.457 20.049 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 0.126 20.284 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 0.273 19.255 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -0.026 18.605 7.705 1.00 0.00 H new ATOM 2277 N GLU B 49 5.666 13.529 8.350 1.00 0.00 N ATOM 2278 CA GLU B 49 5.744 12.396 9.312 1.00 0.00 C ATOM 2279 C GLU B 49 7.200 11.947 9.447 1.00 0.00 C ATOM 2280 O GLU B 49 7.545 10.826 9.132 1.00 0.00 O ATOM 2281 CB GLU B 49 4.904 11.224 8.799 1.00 0.00 C ATOM 2282 CG GLU B 49 3.490 11.316 9.372 1.00 0.00 C ATOM 2283 CD GLU B 49 3.531 11.030 10.874 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.453 10.358 11.303 1.00 0.00 O ATOM 2285 OE2 GLU B 49 2.639 11.490 11.568 1.00 0.00 O ATOM 0 H GLU B 49 5.601 13.261 7.368 1.00 0.00 H new ATOM 0 HA GLU B 49 5.364 12.719 10.281 1.00 0.00 H new ATOM 0 HB2 GLU B 49 4.867 11.239 7.710 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.364 10.279 9.089 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.076 12.308 9.191 1.00 0.00 H new ATOM 0 HG3 GLU B 49 2.836 10.601 8.872 1.00 0.00 H new ATOM 2292 N GLN B 50 8.057 12.813 9.911 1.00 0.00 N ATOM 2293 CA GLN B 50 9.489 12.431 10.063 1.00 0.00 C ATOM 2294 C GLN B 50 9.588 11.153 10.896 1.00 0.00 C ATOM 2295 O GLN B 50 10.535 10.404 10.784 1.00 0.00 O ATOM 2296 CB GLN B 50 10.242 13.559 10.770 1.00 0.00 C ATOM 2297 CG GLN B 50 11.740 13.429 10.490 1.00 0.00 C ATOM 2298 CD GLN B 50 12.381 14.818 10.505 1.00 0.00 C ATOM 2299 OE1 GLN B 50 11.735 15.792 10.835 1.00 0.00 O ATOM 2300 NE2 GLN B 50 13.632 14.951 10.161 1.00 0.00 N ATOM 0 H GLN B 50 7.829 13.767 10.191 1.00 0.00 H new ATOM 0 HA GLN B 50 9.928 12.260 9.080 1.00 0.00 H new ATOM 0 HB2 GLN B 50 9.879 14.526 10.422 1.00 0.00 H new ATOM 0 HB3 GLN B 50 10.057 13.517 11.843 1.00 0.00 H new ATOM 0 HG2 GLN B 50 12.208 12.792 11.241 1.00 0.00 H new ATOM 0 HG3 GLN B 50 11.901 12.952 9.523 1.00 0.00 H new ATOM 0 HE21 GLN B 50 14.174 14.133 9.884 1.00 0.00 H new ATOM 0 HE22 GLN B 50 14.068 15.873 10.169 1.00 0.00 H new ATOM 2309 N GLU B 51 8.616 10.898 11.730 1.00 0.00 N ATOM 2310 CA GLU B 51 8.658 9.668 12.570 1.00 0.00 C ATOM 2311 C GLU B 51 8.330 8.446 11.712 1.00 0.00 C ATOM 2312 O GLU B 51 8.873 7.377 11.907 1.00 0.00 O ATOM 2313 CB GLU B 51 7.632 9.785 13.699 1.00 0.00 C ATOM 2314 CG GLU B 51 7.872 8.675 14.724 1.00 0.00 C ATOM 2315 CD GLU B 51 8.233 9.296 16.074 1.00 0.00 C ATOM 2316 OE1 GLU B 51 9.010 10.237 16.083 1.00 0.00 O ATOM 2317 OE2 GLU B 51 7.728 8.820 17.076 1.00 0.00 O ATOM 0 H GLU B 51 7.795 11.488 11.865 1.00 0.00 H new ATOM 0 HA GLU B 51 9.656 9.556 12.993 1.00 0.00 H new ATOM 0 HB2 GLU B 51 7.713 10.761 14.178 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.622 9.710 13.296 1.00 0.00 H new ATOM 0 HG2 GLU B 51 6.979 8.058 14.823 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.676 8.021 14.386 1.00 0.00 H new ATOM 2324 N VAL B 52 7.445 8.589 10.765 1.00 0.00 N ATOM 2325 CA VAL B 52 7.084 7.431 9.897 1.00 0.00 C ATOM 2326 C VAL B 52 8.295 7.017 9.059 1.00 0.00 C ATOM 2327 O VAL B 52 8.726 5.882 9.091 1.00 0.00 O ATOM 2328 CB VAL B 52 5.936 7.829 8.968 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.739 6.752 7.903 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.652 7.978 9.782 1.00 0.00 C ATOM 0 H VAL B 52 6.955 9.458 10.554 1.00 0.00 H new ATOM 0 HA VAL B 52 6.775 6.594 10.523 1.00 0.00 H new ATOM 0 HB VAL B 52 6.175 8.776 8.484 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.920 7.039 7.243 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.654 6.644 7.321 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.502 5.803 8.384 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.833 8.262 9.121 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.416 7.030 10.266 1.00 0.00 H new ATOM 0 HG23 VAL B 52 4.789 8.749 10.541 1.00 0.00 H new ATOM 2340 N VAL B 53 8.842 7.927 8.303 1.00 0.00 N ATOM 2341 CA VAL B 53 10.019 7.584 7.457 1.00 0.00 C ATOM 2342 C VAL B 53 11.225 7.288 8.349 1.00 0.00 C ATOM 2343 O VAL B 53 12.105 6.535 7.986 1.00 0.00 O ATOM 2344 CB VAL B 53 10.343 8.762 6.538 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.564 8.421 5.681 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.146 9.042 5.628 1.00 0.00 C ATOM 0 H VAL B 53 8.525 8.894 8.234 1.00 0.00 H new ATOM 0 HA VAL B 53 9.789 6.704 6.857 1.00 0.00 H new ATOM 0 HB VAL B 53 10.557 9.644 7.141 1.00 0.00 H new ATOM 0 HG11 VAL B 53 11.795 9.261 5.026 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.418 8.220 6.328 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.350 7.539 5.078 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.376 9.882 4.972 1.00 0.00 H new ATOM 0 HG22 VAL B 53 8.933 8.159 5.026 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.275 9.285 6.237 1.00 0.00 H new ATOM 2356 N ASP B 54 11.271 7.871 9.513 1.00 0.00 N ATOM 2357 CA ASP B 54 12.420 7.615 10.423 1.00 0.00 C ATOM 2358 C ASP B 54 12.246 6.247 11.077 1.00 0.00 C ATOM 2359 O ASP B 54 13.199 5.626 11.504 1.00 0.00 O ATOM 2360 CB ASP B 54 12.468 8.693 11.509 1.00 0.00 C ATOM 2361 CG ASP B 54 13.065 9.976 10.930 1.00 0.00 C ATOM 2362 OD1 ASP B 54 13.196 10.051 9.719 1.00 0.00 O ATOM 2363 OD2 ASP B 54 13.383 10.862 11.706 1.00 0.00 O ATOM 0 H ASP B 54 10.564 8.512 9.873 1.00 0.00 H new ATOM 0 HA ASP B 54 13.348 7.637 9.852 1.00 0.00 H new ATOM 0 HB2 ASP B 54 11.465 8.886 11.889 1.00 0.00 H new ATOM 0 HB3 ASP B 54 13.068 8.349 12.352 1.00 0.00 H new ATOM 2368 N LYS B 55 11.035 5.772 11.165 1.00 0.00 N ATOM 2369 CA LYS B 55 10.800 4.450 11.795 1.00 0.00 C ATOM 2370 C LYS B 55 11.105 3.338 10.791 1.00 0.00 C ATOM 2371 O LYS B 55 11.803 2.393 11.096 1.00 0.00 O ATOM 2372 CB LYS B 55 9.339 4.352 12.246 1.00 0.00 C ATOM 2373 CG LYS B 55 9.253 3.527 13.531 1.00 0.00 C ATOM 2374 CD LYS B 55 10.158 2.302 13.409 1.00 0.00 C ATOM 2375 CE LYS B 55 9.968 1.402 14.629 1.00 0.00 C ATOM 2376 NZ LYS B 55 10.937 0.272 14.572 1.00 0.00 N ATOM 0 H LYS B 55 10.198 6.246 10.826 1.00 0.00 H new ATOM 0 HA LYS B 55 11.454 4.340 12.660 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.932 5.349 12.414 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.737 3.890 11.464 1.00 0.00 H new ATOM 0 HG2 LYS B 55 9.555 4.132 14.386 1.00 0.00 H new ATOM 0 HG3 LYS B 55 8.223 3.216 13.708 1.00 0.00 H new ATOM 0 HD2 LYS B 55 9.922 1.752 12.498 1.00 0.00 H new ATOM 0 HD3 LYS B 55 11.200 2.613 13.332 1.00 0.00 H new ATOM 0 HE2 LYS B 55 10.117 1.976 15.544 1.00 0.00 H new ATOM 0 HE3 LYS B 55 8.948 1.019 14.655 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 10.445 -0.618 14.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 11.351 0.217 13.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 11.693 0.427 15.269 1.00 0.00 H new ATOM 2390 N VAL B 56 10.593 3.437 9.597 1.00 0.00 N ATOM 2391 CA VAL B 56 10.864 2.380 8.589 1.00 0.00 C ATOM 2392 C VAL B 56 12.316 2.474 8.134 1.00 0.00 C ATOM 2393 O VAL B 56 12.994 1.482 7.971 1.00 0.00 O ATOM 2394 CB VAL B 56 9.939 2.573 7.389 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.493 2.305 7.804 1.00 0.00 C ATOM 2396 CG2 VAL B 56 10.062 4.008 6.864 1.00 0.00 C ATOM 0 H VAL B 56 10.000 4.203 9.277 1.00 0.00 H new ATOM 0 HA VAL B 56 10.685 1.400 9.031 1.00 0.00 H new ATOM 0 HB VAL B 56 10.226 1.875 6.602 1.00 0.00 H new ATOM 0 HG11 VAL B 56 7.836 2.444 6.945 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.403 1.282 8.168 1.00 0.00 H new ATOM 0 HG13 VAL B 56 8.207 2.998 8.595 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.400 4.140 6.008 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.782 4.709 7.651 1.00 0.00 H new ATOM 0 HG23 VAL B 56 11.091 4.197 6.559 1.00 0.00 H new ATOM 2406 N MET B 57 12.797 3.663 7.933 1.00 0.00 N ATOM 2407 CA MET B 57 14.207 3.837 7.495 1.00 0.00 C ATOM 2408 C MET B 57 15.136 3.443 8.641 1.00 0.00 C ATOM 2409 O MET B 57 16.275 3.081 8.432 1.00 0.00 O ATOM 2410 CB MET B 57 14.440 5.303 7.134 1.00 0.00 C ATOM 2411 CG MET B 57 15.824 5.465 6.505 1.00 0.00 C ATOM 2412 SD MET B 57 15.883 4.566 4.935 1.00 0.00 S ATOM 2413 CE MET B 57 14.730 5.621 4.023 1.00 0.00 C ATOM 0 H MET B 57 12.272 4.529 8.054 1.00 0.00 H new ATOM 0 HA MET B 57 14.408 3.209 6.627 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.672 5.643 6.439 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.360 5.924 8.026 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.039 6.521 6.340 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.589 5.086 7.182 1.00 0.00 H new ATOM 0 HE1 MET B 57 15.002 5.630 2.968 1.00 0.00 H new ATOM 0 HE2 MET B 57 13.717 5.233 4.133 1.00 0.00 H new ATOM 0 HE3 MET B 57 14.775 6.636 4.418 1.00 0.00 H new ATOM 2423 N GLU B 58 14.658 3.513 9.855 1.00 0.00 N ATOM 2424 CA GLU B 58 15.519 3.142 11.012 1.00 0.00 C ATOM 2425 C GLU B 58 15.613 1.618 11.114 1.00 0.00 C ATOM 2426 O GLU B 58 16.691 1.060 11.141 1.00 0.00 O ATOM 2427 CB GLU B 58 14.921 3.705 12.303 1.00 0.00 C ATOM 2428 CG GLU B 58 15.487 5.104 12.560 1.00 0.00 C ATOM 2429 CD GLU B 58 14.813 5.710 13.792 1.00 0.00 C ATOM 2430 OE1 GLU B 58 15.266 5.429 14.889 1.00 0.00 O ATOM 2431 OE2 GLU B 58 13.854 6.442 13.620 1.00 0.00 O ATOM 0 H GLU B 58 13.712 3.810 10.093 1.00 0.00 H new ATOM 0 HA GLU B 58 16.516 3.558 10.865 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.835 3.749 12.224 1.00 0.00 H new ATOM 0 HB3 GLU B 58 15.153 3.048 13.141 1.00 0.00 H new ATOM 0 HG2 GLU B 58 16.565 5.049 12.712 1.00 0.00 H new ATOM 0 HG3 GLU B 58 15.320 5.741 11.691 1.00 0.00 H new ATOM 2438 N THR B 59 14.499 0.934 11.158 1.00 0.00 N ATOM 2439 CA THR B 59 14.557 -0.551 11.244 1.00 0.00 C ATOM 2440 C THR B 59 15.226 -1.074 9.976 1.00 0.00 C ATOM 2441 O THR B 59 15.909 -2.080 9.977 1.00 0.00 O ATOM 2442 CB THR B 59 13.140 -1.119 11.352 1.00 0.00 C ATOM 2443 OG1 THR B 59 12.564 -0.717 12.587 1.00 0.00 O ATOM 2444 CG2 THR B 59 13.193 -2.646 11.283 1.00 0.00 C ATOM 0 H THR B 59 13.562 1.336 11.138 1.00 0.00 H new ATOM 0 HA THR B 59 15.123 -0.856 12.124 1.00 0.00 H new ATOM 0 HB THR B 59 12.533 -0.743 10.528 1.00 0.00 H new ATOM 0 HG1 THR B 59 12.189 -1.499 13.043 1.00 0.00 H new ATOM 0 HG21 THR B 59 12.183 -3.049 11.360 1.00 0.00 H new ATOM 0 HG22 THR B 59 13.635 -2.952 10.335 1.00 0.00 H new ATOM 0 HG23 THR B 59 13.799 -3.027 12.105 1.00 0.00 H new ATOM 2452 N LEU B 60 15.033 -0.374 8.896 1.00 0.00 N ATOM 2453 CA LEU B 60 15.643 -0.781 7.605 1.00 0.00 C ATOM 2454 C LEU B 60 17.166 -0.711 7.724 1.00 0.00 C ATOM 2455 O LEU B 60 17.866 -1.668 7.457 1.00 0.00 O ATOM 2456 CB LEU B 60 15.165 0.183 6.518 1.00 0.00 C ATOM 2457 CG LEU B 60 13.941 -0.407 5.818 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.430 0.574 4.763 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.326 -1.724 5.145 1.00 0.00 C ATOM 0 H LEU B 60 14.470 0.475 8.854 1.00 0.00 H new ATOM 0 HA LEU B 60 15.351 -1.800 7.351 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.916 1.149 6.957 1.00 0.00 H new ATOM 0 HB3 LEU B 60 15.962 0.357 5.795 1.00 0.00 H new ATOM 0 HG LEU B 60 13.156 -0.588 6.553 1.00 0.00 H new ATOM 0 HD11 LEU B 60 12.557 0.151 4.265 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.155 1.513 5.243 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.213 0.758 4.028 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.454 -2.146 4.645 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.112 -1.542 4.412 1.00 0.00 H new ATOM 0 HD23 LEU B 60 14.688 -2.425 5.897 1.00 0.00 H new ATOM 2471 N ASP B 61 17.682 0.416 8.128 1.00 0.00 N ATOM 2472 CA ASP B 61 19.157 0.558 8.273 1.00 0.00 C ATOM 2473 C ASP B 61 19.606 -0.058 9.599 1.00 0.00 C ATOM 2474 O ASP B 61 20.780 -0.092 9.912 1.00 0.00 O ATOM 2475 CB ASP B 61 19.526 2.042 8.251 1.00 0.00 C ATOM 2476 CG ASP B 61 20.784 2.245 7.404 1.00 0.00 C ATOM 2477 OD1 ASP B 61 21.479 1.271 7.169 1.00 0.00 O ATOM 2478 OD2 ASP B 61 21.030 3.372 7.005 1.00 0.00 O ATOM 0 H ASP B 61 17.143 1.249 8.365 1.00 0.00 H new ATOM 0 HA ASP B 61 19.654 0.044 7.450 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.702 2.626 7.842 1.00 0.00 H new ATOM 0 HB3 ASP B 61 19.697 2.400 9.266 1.00 0.00 H new ATOM 2483 N GLU B 62 18.682 -0.539 10.386 1.00 0.00 N ATOM 2484 CA GLU B 62 19.058 -1.144 11.694 1.00 0.00 C ATOM 2485 C GLU B 62 19.729 -2.497 11.463 1.00 0.00 C ATOM 2486 O GLU B 62 20.745 -2.806 12.052 1.00 0.00 O ATOM 2487 CB GLU B 62 17.804 -1.341 12.547 1.00 0.00 C ATOM 2488 CG GLU B 62 18.082 -0.879 13.979 1.00 0.00 C ATOM 2489 CD GLU B 62 16.771 -0.462 14.645 1.00 0.00 C ATOM 2490 OE1 GLU B 62 15.954 -1.332 14.895 1.00 0.00 O ATOM 2491 OE2 GLU B 62 16.606 0.721 14.894 1.00 0.00 O ATOM 0 H GLU B 62 17.683 -0.539 10.179 1.00 0.00 H new ATOM 0 HA GLU B 62 19.751 -0.479 12.210 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.973 -0.775 12.126 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.510 -2.391 12.543 1.00 0.00 H new ATOM 0 HG2 GLU B 62 18.551 -1.683 14.547 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.781 -0.043 13.973 1.00 0.00 H new ATOM 2498 N ASP B 63 19.168 -3.308 10.613 1.00 0.00 N ATOM 2499 CA ASP B 63 19.775 -4.644 10.351 1.00 0.00 C ATOM 2500 C ASP B 63 20.283 -4.704 8.912 1.00 0.00 C ATOM 2501 O ASP B 63 21.440 -4.977 8.660 1.00 0.00 O ATOM 2502 CB ASP B 63 18.722 -5.733 10.569 1.00 0.00 C ATOM 2503 CG ASP B 63 19.385 -7.109 10.492 1.00 0.00 C ATOM 2504 OD1 ASP B 63 20.599 -7.156 10.387 1.00 0.00 O ATOM 2505 OD2 ASP B 63 18.666 -8.094 10.539 1.00 0.00 O ATOM 0 H ASP B 63 18.317 -3.106 10.088 1.00 0.00 H new ATOM 0 HA ASP B 63 20.610 -4.803 11.034 1.00 0.00 H new ATOM 0 HB2 ASP B 63 18.244 -5.602 11.540 1.00 0.00 H new ATOM 0 HB3 ASP B 63 17.939 -5.652 9.815 1.00 0.00 H new ATOM 2510 N GLY B 64 19.426 -4.453 7.966 1.00 0.00 N ATOM 2511 CA GLY B 64 19.853 -4.498 6.539 1.00 0.00 C ATOM 2512 C GLY B 64 19.776 -5.937 6.028 1.00 0.00 C ATOM 2513 O GLY B 64 19.283 -6.198 4.950 1.00 0.00 O ATOM 0 H GLY B 64 18.445 -4.218 8.118 1.00 0.00 H new ATOM 0 HA2 GLY B 64 19.214 -3.852 5.937 1.00 0.00 H new ATOM 0 HA3 GLY B 64 20.871 -4.120 6.441 1.00 0.00 H new ATOM 2517 N ASP B 65 20.262 -6.875 6.794 1.00 0.00 N ATOM 2518 CA ASP B 65 20.216 -8.296 6.354 1.00 0.00 C ATOM 2519 C ASP B 65 19.176 -9.050 7.183 1.00 0.00 C ATOM 2520 O ASP B 65 19.508 -9.849 8.035 1.00 0.00 O ATOM 2521 CB ASP B 65 21.590 -8.938 6.554 1.00 0.00 C ATOM 2522 CG ASP B 65 21.705 -10.184 5.674 1.00 0.00 C ATOM 2523 OD1 ASP B 65 22.087 -10.040 4.525 1.00 0.00 O ATOM 2524 OD2 ASP B 65 21.407 -11.260 6.164 1.00 0.00 O ATOM 0 H ASP B 65 20.689 -6.717 7.707 1.00 0.00 H new ATOM 0 HA ASP B 65 19.945 -8.342 5.299 1.00 0.00 H new ATOM 0 HB2 ASP B 65 22.376 -8.227 6.300 1.00 0.00 H new ATOM 0 HB3 ASP B 65 21.729 -9.206 7.601 1.00 0.00 H new ATOM 2529 N GLY B 66 17.920 -8.800 6.939 1.00 0.00 N ATOM 2530 CA GLY B 66 16.857 -9.498 7.708 1.00 0.00 C ATOM 2531 C GLY B 66 15.781 -10.001 6.747 1.00 0.00 C ATOM 2532 O GLY B 66 15.694 -9.567 5.616 1.00 0.00 O ATOM 0 H GLY B 66 17.585 -8.140 6.237 1.00 0.00 H new ATOM 0 HA2 GLY B 66 17.284 -10.334 8.263 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.418 -8.820 8.440 1.00 0.00 H new ATOM 2536 N GLU B 67 14.961 -10.917 7.184 1.00 0.00 N ATOM 2537 CA GLU B 67 13.894 -11.445 6.289 1.00 0.00 C ATOM 2538 C GLU B 67 12.600 -10.657 6.507 1.00 0.00 C ATOM 2539 O GLU B 67 12.180 -10.425 7.622 1.00 0.00 O ATOM 2540 CB GLU B 67 13.653 -12.927 6.596 1.00 0.00 C ATOM 2541 CG GLU B 67 13.219 -13.090 8.055 1.00 0.00 C ATOM 2542 CD GLU B 67 13.793 -14.394 8.612 1.00 0.00 C ATOM 2543 OE1 GLU B 67 13.840 -15.362 7.870 1.00 0.00 O ATOM 2544 OE2 GLU B 67 14.174 -14.402 9.770 1.00 0.00 O ATOM 0 H GLU B 67 14.984 -11.322 8.120 1.00 0.00 H new ATOM 0 HA GLU B 67 14.209 -11.338 5.251 1.00 0.00 H new ATOM 0 HB2 GLU B 67 12.886 -13.325 5.932 1.00 0.00 H new ATOM 0 HB3 GLU B 67 14.562 -13.499 6.411 1.00 0.00 H new ATOM 0 HG2 GLU B 67 13.568 -12.244 8.647 1.00 0.00 H new ATOM 0 HG3 GLU B 67 12.131 -13.100 8.124 1.00 0.00 H new ATOM 2551 N CYS B 68 11.965 -10.247 5.444 1.00 0.00 N ATOM 2552 CA CYS B 68 10.697 -9.477 5.575 1.00 0.00 C ATOM 2553 C CYS B 68 9.575 -10.246 4.880 1.00 0.00 C ATOM 2554 O CYS B 68 9.820 -11.109 4.060 1.00 0.00 O ATOM 2555 CB CYS B 68 10.861 -8.108 4.913 1.00 0.00 C ATOM 2556 SG CYS B 68 12.138 -7.163 5.781 1.00 0.00 S ATOM 0 H CYS B 68 12.272 -10.413 4.486 1.00 0.00 H new ATOM 0 HA CYS B 68 10.455 -9.342 6.629 1.00 0.00 H new ATOM 0 HB2 CYS B 68 11.134 -8.230 3.865 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.915 -7.566 4.935 1.00 0.00 H new ATOM 0 HG CYS B 68 11.585 -6.431 6.702 1.00 0.00 H new ATOM 2562 N ASP B 69 8.347 -9.939 5.191 1.00 0.00 N ATOM 2563 CA ASP B 69 7.223 -10.658 4.533 1.00 0.00 C ATOM 2564 C ASP B 69 6.682 -9.803 3.393 1.00 0.00 C ATOM 2565 O ASP B 69 7.185 -8.733 3.110 1.00 0.00 O ATOM 2566 CB ASP B 69 6.109 -10.913 5.549 1.00 0.00 C ATOM 2567 CG ASP B 69 6.376 -12.227 6.284 1.00 0.00 C ATOM 2568 OD1 ASP B 69 7.514 -12.666 6.276 1.00 0.00 O ATOM 2569 OD2 ASP B 69 5.438 -12.771 6.842 1.00 0.00 O ATOM 0 H ASP B 69 8.075 -9.226 5.868 1.00 0.00 H new ATOM 0 HA ASP B 69 7.579 -11.611 4.143 1.00 0.00 H new ATOM 0 HB2 ASP B 69 6.058 -10.090 6.262 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.145 -10.957 5.043 1.00 0.00 H new ATOM 2574 N PHE B 70 5.658 -10.264 2.739 1.00 0.00 N ATOM 2575 CA PHE B 70 5.080 -9.472 1.617 1.00 0.00 C ATOM 2576 C PHE B 70 4.112 -8.431 2.179 1.00 0.00 C ATOM 2577 O PHE B 70 3.910 -7.383 1.603 1.00 0.00 O ATOM 2578 CB PHE B 70 4.332 -10.393 0.641 1.00 0.00 C ATOM 2579 CG PHE B 70 3.766 -11.587 1.374 1.00 0.00 C ATOM 2580 CD1 PHE B 70 2.605 -11.454 2.145 1.00 0.00 C ATOM 2581 CD2 PHE B 70 4.404 -12.829 1.276 1.00 0.00 C ATOM 2582 CE1 PHE B 70 2.084 -12.565 2.818 1.00 0.00 C ATOM 2583 CE2 PHE B 70 3.883 -13.940 1.949 1.00 0.00 C ATOM 2584 CZ PHE B 70 2.723 -13.808 2.720 1.00 0.00 C ATOM 0 H PHE B 70 5.195 -11.153 2.930 1.00 0.00 H new ATOM 0 HA PHE B 70 5.889 -8.975 1.081 1.00 0.00 H new ATOM 0 HB2 PHE B 70 3.527 -9.842 0.155 1.00 0.00 H new ATOM 0 HB3 PHE B 70 5.009 -10.728 -0.145 1.00 0.00 H new ATOM 0 HD1 PHE B 70 2.112 -10.496 2.220 1.00 0.00 H new ATOM 0 HD2 PHE B 70 5.299 -12.930 0.680 1.00 0.00 H new ATOM 0 HE1 PHE B 70 1.189 -12.464 3.413 1.00 0.00 H new ATOM 0 HE2 PHE B 70 4.376 -14.898 1.873 1.00 0.00 H new ATOM 0 HZ PHE B 70 2.320 -14.665 3.240 1.00 0.00 H new ATOM 2594 N GLN B 71 3.508 -8.716 3.300 1.00 0.00 N ATOM 2595 CA GLN B 71 2.549 -7.744 3.896 1.00 0.00 C ATOM 2596 C GLN B 71 3.308 -6.660 4.671 1.00 0.00 C ATOM 2597 O GLN B 71 2.838 -5.548 4.812 1.00 0.00 O ATOM 2598 CB GLN B 71 1.586 -8.486 4.830 1.00 0.00 C ATOM 2599 CG GLN B 71 2.260 -8.760 6.176 1.00 0.00 C ATOM 2600 CD GLN B 71 1.641 -7.859 7.248 1.00 0.00 C ATOM 2601 OE1 GLN B 71 1.578 -8.226 8.403 1.00 0.00 O ATOM 2602 NE2 GLN B 71 1.178 -6.686 6.911 1.00 0.00 N ATOM 0 H GLN B 71 3.637 -9.579 3.828 1.00 0.00 H new ATOM 0 HA GLN B 71 1.980 -7.265 3.099 1.00 0.00 H new ATOM 0 HB2 GLN B 71 0.685 -7.892 4.981 1.00 0.00 H new ATOM 0 HB3 GLN B 71 1.276 -9.426 4.373 1.00 0.00 H new ATOM 0 HG2 GLN B 71 2.137 -9.808 6.450 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.331 -8.574 6.103 1.00 0.00 H new ATOM 0 HE21 GLN B 71 1.230 -6.377 5.940 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.764 -6.079 7.618 1.00 0.00 H new ATOM 2611 N GLU B 72 4.473 -6.966 5.179 1.00 0.00 N ATOM 2612 CA GLU B 72 5.233 -5.944 5.938 1.00 0.00 C ATOM 2613 C GLU B 72 5.813 -4.930 4.951 1.00 0.00 C ATOM 2614 O GLU B 72 5.695 -3.734 5.134 1.00 0.00 O ATOM 2615 CB GLU B 72 6.336 -6.642 6.754 1.00 0.00 C ATOM 2616 CG GLU B 72 7.632 -6.776 5.950 1.00 0.00 C ATOM 2617 CD GLU B 72 8.785 -7.085 6.906 1.00 0.00 C ATOM 2618 OE1 GLU B 72 8.671 -8.043 7.652 1.00 0.00 O ATOM 2619 OE2 GLU B 72 9.761 -6.355 6.878 1.00 0.00 O ATOM 0 H GLU B 72 4.925 -7.877 5.099 1.00 0.00 H new ATOM 0 HA GLU B 72 4.585 -5.411 6.634 1.00 0.00 H new ATOM 0 HB2 GLU B 72 6.529 -6.076 7.665 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.993 -7.630 7.060 1.00 0.00 H new ATOM 0 HG2 GLU B 72 7.535 -7.570 5.210 1.00 0.00 H new ATOM 0 HG3 GLU B 72 7.833 -5.854 5.404 1.00 0.00 H new ATOM 2626 N PHE B 73 6.415 -5.398 3.894 1.00 0.00 N ATOM 2627 CA PHE B 73 6.973 -4.459 2.886 1.00 0.00 C ATOM 2628 C PHE B 73 5.801 -3.707 2.247 1.00 0.00 C ATOM 2629 O PHE B 73 5.937 -2.597 1.773 1.00 0.00 O ATOM 2630 CB PHE B 73 7.768 -5.262 1.830 1.00 0.00 C ATOM 2631 CG PHE B 73 7.279 -4.955 0.429 1.00 0.00 C ATOM 2632 CD1 PHE B 73 6.038 -5.438 0.003 1.00 0.00 C ATOM 2633 CD2 PHE B 73 8.063 -4.181 -0.433 1.00 0.00 C ATOM 2634 CE1 PHE B 73 5.579 -5.149 -1.286 1.00 0.00 C ATOM 2635 CE2 PHE B 73 7.604 -3.890 -1.723 1.00 0.00 C ATOM 2636 CZ PHE B 73 6.362 -4.375 -2.149 1.00 0.00 C ATOM 0 H PHE B 73 6.544 -6.388 3.686 1.00 0.00 H new ATOM 0 HA PHE B 73 7.654 -3.742 3.344 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.828 -5.022 1.909 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.667 -6.329 2.028 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.433 -6.035 0.670 1.00 0.00 H new ATOM 0 HD2 PHE B 73 9.022 -3.808 -0.104 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.621 -5.523 -1.615 1.00 0.00 H new ATOM 0 HE2 PHE B 73 8.208 -3.292 -2.389 1.00 0.00 H new ATOM 0 HZ PHE B 73 6.008 -4.152 -3.145 1.00 0.00 H new ATOM 2646 N MET B 74 4.650 -4.321 2.230 1.00 0.00 N ATOM 2647 CA MET B 74 3.456 -3.673 1.626 1.00 0.00 C ATOM 2648 C MET B 74 3.056 -2.454 2.457 1.00 0.00 C ATOM 2649 O MET B 74 2.909 -1.363 1.945 1.00 0.00 O ATOM 2650 CB MET B 74 2.304 -4.682 1.601 1.00 0.00 C ATOM 2651 CG MET B 74 2.121 -5.222 0.183 1.00 0.00 C ATOM 2652 SD MET B 74 0.943 -4.182 -0.711 1.00 0.00 S ATOM 2653 CE MET B 74 2.148 -3.336 -1.760 1.00 0.00 C ATOM 0 H MET B 74 4.486 -5.252 2.613 1.00 0.00 H new ATOM 0 HA MET B 74 3.685 -3.350 0.611 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.511 -5.502 2.289 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.384 -4.206 1.941 1.00 0.00 H new ATOM 0 HG2 MET B 74 3.078 -5.237 -0.338 1.00 0.00 H new ATOM 0 HG3 MET B 74 1.761 -6.250 0.218 1.00 0.00 H new ATOM 0 HE1 MET B 74 1.658 -2.989 -2.670 1.00 0.00 H new ATOM 0 HE2 MET B 74 2.562 -2.483 -1.223 1.00 0.00 H new ATOM 0 HE3 MET B 74 2.951 -4.025 -2.021 1.00 0.00 H new ATOM 2663 N ALA B 75 2.878 -2.629 3.735 1.00 0.00 N ATOM 2664 CA ALA B 75 2.488 -1.477 4.593 1.00 0.00 C ATOM 2665 C ALA B 75 3.677 -0.527 4.731 1.00 0.00 C ATOM 2666 O ALA B 75 3.523 0.635 5.053 1.00 0.00 O ATOM 2667 CB ALA B 75 2.078 -1.987 5.975 1.00 0.00 C ATOM 0 H ALA B 75 2.985 -3.518 4.223 1.00 0.00 H new ATOM 0 HA ALA B 75 1.649 -0.949 4.139 1.00 0.00 H new ATOM 0 HB1 ALA B 75 1.792 -1.144 6.604 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.233 -2.668 5.875 1.00 0.00 H new ATOM 0 HB3 ALA B 75 2.916 -2.513 6.432 1.00 0.00 H new ATOM 2673 N PHE B 76 4.862 -1.011 4.488 1.00 0.00 N ATOM 2674 CA PHE B 76 6.061 -0.136 4.602 1.00 0.00 C ATOM 2675 C PHE B 76 6.140 0.774 3.375 1.00 0.00 C ATOM 2676 O PHE B 76 6.622 1.885 3.447 1.00 0.00 O ATOM 2677 CB PHE B 76 7.321 -1.002 4.679 1.00 0.00 C ATOM 2678 CG PHE B 76 7.797 -1.078 6.110 1.00 0.00 C ATOM 2679 CD1 PHE B 76 6.895 -1.401 7.132 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.140 -0.828 6.414 1.00 0.00 C ATOM 2681 CE1 PHE B 76 7.340 -1.472 8.458 1.00 0.00 C ATOM 2682 CE2 PHE B 76 9.583 -0.900 7.740 1.00 0.00 C ATOM 2683 CZ PHE B 76 8.683 -1.223 8.761 1.00 0.00 C ATOM 0 H PHE B 76 5.052 -1.975 4.215 1.00 0.00 H new ATOM 0 HA PHE B 76 5.986 0.472 5.504 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.110 -2.003 4.302 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.103 -0.581 4.047 1.00 0.00 H new ATOM 0 HD1 PHE B 76 5.859 -1.595 6.898 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.835 -0.579 5.625 1.00 0.00 H new ATOM 0 HE1 PHE B 76 6.646 -1.719 9.247 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.619 -0.706 7.975 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.025 -1.280 9.784 1.00 0.00 H new ATOM 2693 N VAL B 77 5.665 0.312 2.248 1.00 0.00 N ATOM 2694 CA VAL B 77 5.713 1.154 1.020 1.00 0.00 C ATOM 2695 C VAL B 77 4.644 2.247 1.108 1.00 0.00 C ATOM 2696 O VAL B 77 4.771 3.300 0.519 1.00 0.00 O ATOM 2697 CB VAL B 77 5.449 0.277 -0.205 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.429 1.147 -1.462 1.00 0.00 C ATOM 2699 CG2 VAL B 77 6.558 -0.770 -0.330 1.00 0.00 C ATOM 0 H VAL B 77 5.247 -0.610 2.127 1.00 0.00 H new ATOM 0 HA VAL B 77 6.696 1.617 0.932 1.00 0.00 H new ATOM 0 HB VAL B 77 4.486 -0.222 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.241 0.521 -2.335 1.00 0.00 H new ATOM 0 HG12 VAL B 77 4.641 1.895 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.391 1.646 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.371 -1.396 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.520 -0.270 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL B 77 6.574 -1.392 0.565 1.00 0.00 H new ATOM 2709 N SER B 78 3.589 2.002 1.835 1.00 0.00 N ATOM 2710 CA SER B 78 2.511 3.026 1.954 1.00 0.00 C ATOM 2711 C SER B 78 2.911 4.095 2.977 1.00 0.00 C ATOM 2712 O SER B 78 2.810 5.277 2.723 1.00 0.00 O ATOM 2713 CB SER B 78 1.217 2.352 2.411 1.00 0.00 C ATOM 2714 OG SER B 78 1.528 1.113 3.035 1.00 0.00 O ATOM 0 H SER B 78 3.426 1.138 2.352 1.00 0.00 H new ATOM 0 HA SER B 78 2.361 3.497 0.983 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.683 2.999 3.107 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.558 2.188 1.558 1.00 0.00 H new ATOM 0 HG SER B 78 2.146 1.268 3.780 1.00 0.00 H new ATOM 2720 N MET B 79 3.353 3.688 4.134 1.00 0.00 N ATOM 2721 CA MET B 79 3.747 4.675 5.176 1.00 0.00 C ATOM 2722 C MET B 79 4.748 5.680 4.603 1.00 0.00 C ATOM 2723 O MET B 79 4.633 6.871 4.813 1.00 0.00 O ATOM 2724 CB MET B 79 4.387 3.930 6.344 1.00 0.00 C ATOM 2725 CG MET B 79 3.474 2.781 6.778 1.00 0.00 C ATOM 2726 SD MET B 79 2.943 3.045 8.488 1.00 0.00 S ATOM 2727 CE MET B 79 4.174 1.979 9.273 1.00 0.00 C ATOM 0 H MET B 79 3.459 2.710 4.403 1.00 0.00 H new ATOM 0 HA MET B 79 2.863 5.215 5.514 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.363 3.543 6.051 1.00 0.00 H new ATOM 0 HB3 MET B 79 4.552 4.612 7.178 1.00 0.00 H new ATOM 0 HG2 MET B 79 2.606 2.724 6.121 1.00 0.00 H new ATOM 0 HG3 MET B 79 4.001 1.831 6.692 1.00 0.00 H new ATOM 0 HE1 MET B 79 4.030 1.992 10.353 1.00 0.00 H new ATOM 0 HE2 MET B 79 4.061 0.960 8.904 1.00 0.00 H new ATOM 0 HE3 MET B 79 5.174 2.342 9.036 1.00 0.00 H new ATOM 2737 N VAL B 80 5.739 5.213 3.898 1.00 0.00 N ATOM 2738 CA VAL B 80 6.755 6.140 3.331 1.00 0.00 C ATOM 2739 C VAL B 80 6.156 6.962 2.185 1.00 0.00 C ATOM 2740 O VAL B 80 6.416 8.143 2.060 1.00 0.00 O ATOM 2741 CB VAL B 80 7.940 5.327 2.816 1.00 0.00 C ATOM 2742 CG1 VAL B 80 8.749 4.806 4.004 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.437 4.144 1.981 1.00 0.00 C ATOM 0 H VAL B 80 5.889 4.226 3.690 1.00 0.00 H new ATOM 0 HA VAL B 80 7.085 6.826 4.111 1.00 0.00 H new ATOM 0 HB VAL B 80 8.570 5.962 2.192 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.596 4.225 3.640 1.00 0.00 H new ATOM 0 HG12 VAL B 80 9.113 5.648 4.594 1.00 0.00 H new ATOM 0 HG13 VAL B 80 8.116 4.174 4.626 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.288 3.568 1.617 1.00 0.00 H new ATOM 0 HG22 VAL B 80 6.804 3.506 2.598 1.00 0.00 H new ATOM 0 HG23 VAL B 80 6.861 4.516 1.134 1.00 0.00 H new ATOM 2753 N THR B 81 5.359 6.359 1.347 1.00 0.00 N ATOM 2754 CA THR B 81 4.757 7.123 0.217 1.00 0.00 C ATOM 2755 C THR B 81 3.647 8.034 0.750 1.00 0.00 C ATOM 2756 O THR B 81 3.040 8.784 0.014 1.00 0.00 O ATOM 2757 CB THR B 81 4.177 6.145 -0.808 1.00 0.00 C ATOM 2758 OG1 THR B 81 5.084 5.066 -0.986 1.00 0.00 O ATOM 2759 CG2 THR B 81 3.965 6.860 -2.146 1.00 0.00 C ATOM 0 H THR B 81 5.099 5.374 1.395 1.00 0.00 H new ATOM 0 HA THR B 81 5.524 7.733 -0.261 1.00 0.00 H new ATOM 0 HB THR B 81 3.219 5.768 -0.449 1.00 0.00 H new ATOM 0 HG1 THR B 81 4.971 4.420 -0.258 1.00 0.00 H new ATOM 0 HG21 THR B 81 3.552 6.159 -2.872 1.00 0.00 H new ATOM 0 HG22 THR B 81 3.273 7.691 -2.009 1.00 0.00 H new ATOM 0 HG23 THR B 81 4.919 7.240 -2.511 1.00 0.00 H new ATOM 2767 N THR B 82 3.382 7.977 2.027 1.00 0.00 N ATOM 2768 CA THR B 82 2.316 8.844 2.607 1.00 0.00 C ATOM 2769 C THR B 82 2.896 9.673 3.755 1.00 0.00 C ATOM 2770 O THR B 82 2.253 10.563 4.276 1.00 0.00 O ATOM 2771 CB THR B 82 1.178 7.969 3.136 1.00 0.00 C ATOM 2772 OG1 THR B 82 1.679 7.097 4.138 1.00 0.00 O ATOM 2773 CG2 THR B 82 0.589 7.145 1.989 1.00 0.00 C ATOM 0 H THR B 82 3.857 7.368 2.693 1.00 0.00 H new ATOM 0 HA THR B 82 1.934 9.512 1.835 1.00 0.00 H new ATOM 0 HB THR B 82 0.400 8.603 3.562 1.00 0.00 H new ATOM 0 HG1 THR B 82 1.820 6.206 3.755 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.222 6.522 2.367 1.00 0.00 H new ATOM 0 HG22 THR B 82 0.204 7.815 1.220 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.365 6.510 1.561 1.00 0.00 H new ATOM 2781 N ALA B 83 4.106 9.390 4.156 1.00 0.00 N ATOM 2782 CA ALA B 83 4.721 10.166 5.270 1.00 0.00 C ATOM 2783 C ALA B 83 5.303 11.469 4.722 1.00 0.00 C ATOM 2784 O ALA B 83 5.419 12.452 5.427 1.00 0.00 O ATOM 2785 CB ALA B 83 5.835 9.340 5.910 1.00 0.00 C ATOM 0 H ALA B 83 4.694 8.656 3.761 1.00 0.00 H new ATOM 0 HA ALA B 83 3.962 10.394 6.018 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.286 9.906 6.725 1.00 0.00 H new ATOM 0 HB2 ALA B 83 5.421 8.410 6.300 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.595 9.113 5.162 1.00 0.00 H new ATOM 2791 N CYS B 84 5.668 11.486 3.470 1.00 0.00 N ATOM 2792 CA CYS B 84 6.242 12.728 2.879 1.00 0.00 C ATOM 2793 C CYS B 84 5.257 13.884 3.061 1.00 0.00 C ATOM 2794 O CYS B 84 4.369 13.836 3.890 1.00 0.00 O ATOM 2795 CB CYS B 84 6.500 12.511 1.387 1.00 0.00 C ATOM 2796 SG CYS B 84 7.550 11.056 1.160 1.00 0.00 S ATOM 0 H CYS B 84 5.594 10.695 2.831 1.00 0.00 H new ATOM 0 HA CYS B 84 7.180 12.967 3.380 1.00 0.00 H new ATOM 0 HB2 CYS B 84 5.555 12.377 0.860 1.00 0.00 H new ATOM 0 HB3 CYS B 84 6.982 13.390 0.959 1.00 0.00 H new ATOM 0 HG CYS B 84 8.522 11.345 0.346 1.00 0.00 H new ATOM 2802 N HIS B 85 5.407 14.922 2.290 1.00 0.00 N ATOM 2803 CA HIS B 85 4.482 16.082 2.412 1.00 0.00 C ATOM 2804 C HIS B 85 3.061 15.629 2.054 1.00 0.00 C ATOM 2805 O HIS B 85 2.624 14.573 2.467 1.00 0.00 O ATOM 2806 CB HIS B 85 4.951 17.186 1.461 1.00 0.00 C ATOM 2807 CG HIS B 85 5.056 16.627 0.068 1.00 0.00 C ATOM 2808 ND1 HIS B 85 6.073 16.990 -0.800 1.00 0.00 N ATOM 2809 CD2 HIS B 85 4.284 15.721 -0.616 1.00 0.00 C ATOM 2810 CE1 HIS B 85 5.889 16.309 -1.947 1.00 0.00 C ATOM 2811 NE2 HIS B 85 4.811 15.522 -1.889 1.00 0.00 N ATOM 0 H HIS B 85 6.132 15.018 1.579 1.00 0.00 H new ATOM 0 HA HIS B 85 4.481 16.467 3.432 1.00 0.00 H new ATOM 0 HB2 HIS B 85 4.250 18.020 1.479 1.00 0.00 H new ATOM 0 HB3 HIS B 85 5.917 17.574 1.784 1.00 0.00 H new ATOM 0 HD2 HIS B 85 3.401 15.236 -0.226 1.00 0.00 H new ATOM 0 HE1 HIS B 85 6.534 16.389 -2.809 1.00 0.00 H new ATOM 0 HE2 HIS B 85 4.452 14.908 -2.620 1.00 0.00 H new ATOM 2819 N GLU B 86 2.332 16.404 1.294 1.00 0.00 N ATOM 2820 CA GLU B 86 0.947 15.991 0.930 1.00 0.00 C ATOM 2821 C GLU B 86 1.006 14.899 -0.143 1.00 0.00 C ATOM 2822 O GLU B 86 1.137 13.730 0.156 1.00 0.00 O ATOM 2823 CB GLU B 86 0.180 17.198 0.387 1.00 0.00 C ATOM 2824 CG GLU B 86 -0.049 18.213 1.507 1.00 0.00 C ATOM 2825 CD GLU B 86 -0.973 19.322 1.004 1.00 0.00 C ATOM 2826 OE1 GLU B 86 -2.058 19.001 0.547 1.00 0.00 O ATOM 2827 OE2 GLU B 86 -0.580 20.474 1.082 1.00 0.00 O ATOM 0 H GLU B 86 2.635 17.300 0.912 1.00 0.00 H new ATOM 0 HA GLU B 86 0.439 15.606 1.814 1.00 0.00 H new ATOM 0 HB2 GLU B 86 0.740 17.660 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -0.776 16.877 -0.026 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -0.491 17.721 2.374 1.00 0.00 H new ATOM 0 HG3 GLU B 86 0.902 18.636 1.830 1.00 0.00 H new ATOM 2834 N PHE B 87 0.910 15.273 -1.390 1.00 0.00 N ATOM 2835 CA PHE B 87 0.961 14.263 -2.485 1.00 0.00 C ATOM 2836 C PHE B 87 0.409 14.881 -3.777 1.00 0.00 C ATOM 2837 O PHE B 87 1.074 15.666 -4.418 1.00 0.00 O ATOM 2838 CB PHE B 87 0.142 13.023 -2.101 1.00 0.00 C ATOM 2839 CG PHE B 87 -1.120 13.421 -1.364 1.00 0.00 C ATOM 2840 CD1 PHE B 87 -1.650 14.711 -1.498 1.00 0.00 C ATOM 2841 CD2 PHE B 87 -1.764 12.487 -0.546 1.00 0.00 C ATOM 2842 CE1 PHE B 87 -2.819 15.064 -0.814 1.00 0.00 C ATOM 2843 CE2 PHE B 87 -2.933 12.840 0.136 1.00 0.00 C ATOM 2844 CZ PHE B 87 -3.460 14.127 0.004 1.00 0.00 C ATOM 0 H PHE B 87 0.798 16.239 -1.698 1.00 0.00 H new ATOM 0 HA PHE B 87 1.996 13.959 -2.645 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -0.117 12.460 -2.998 1.00 0.00 H new ATOM 0 HB3 PHE B 87 0.743 12.364 -1.474 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -1.156 15.434 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -1.358 11.492 -0.441 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -3.226 16.059 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -3.429 12.116 0.766 1.00 0.00 H new ATOM 0 HZ PHE B 87 -4.362 14.399 0.533 1.00 0.00 H new ATOM 2854 N PHE B 88 -0.793 14.533 -4.168 1.00 0.00 N ATOM 2855 CA PHE B 88 -1.367 15.113 -5.426 1.00 0.00 C ATOM 2856 C PHE B 88 -1.125 16.623 -5.431 1.00 0.00 C ATOM 2857 O PHE B 88 -1.904 17.390 -4.902 1.00 0.00 O ATOM 2858 CB PHE B 88 -2.885 14.855 -5.531 1.00 0.00 C ATOM 2859 CG PHE B 88 -3.346 13.866 -4.485 1.00 0.00 C ATOM 2860 CD1 PHE B 88 -2.965 12.520 -4.574 1.00 0.00 C ATOM 2861 CD2 PHE B 88 -4.153 14.296 -3.426 1.00 0.00 C ATOM 2862 CE1 PHE B 88 -3.395 11.607 -3.602 1.00 0.00 C ATOM 2863 CE2 PHE B 88 -4.581 13.382 -2.456 1.00 0.00 C ATOM 2864 CZ PHE B 88 -4.201 12.038 -2.545 1.00 0.00 C ATOM 0 H PHE B 88 -1.399 13.877 -3.675 1.00 0.00 H new ATOM 0 HA PHE B 88 -0.878 14.634 -6.274 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -3.425 15.794 -5.410 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -3.124 14.475 -6.524 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -2.341 12.187 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -4.446 15.333 -3.357 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -3.103 10.569 -3.670 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -5.204 13.714 -1.639 1.00 0.00 H new ATOM 0 HZ PHE B 88 -4.531 11.333 -1.796 1.00 0.00 H new ATOM 2874 N GLU B 89 -0.038 17.054 -6.007 1.00 0.00 N ATOM 2875 CA GLU B 89 0.268 18.506 -6.027 1.00 0.00 C ATOM 2876 C GLU B 89 0.685 18.935 -7.435 1.00 0.00 C ATOM 2877 O GLU B 89 1.036 20.074 -7.667 1.00 0.00 O ATOM 2878 CB GLU B 89 1.413 18.766 -5.054 1.00 0.00 C ATOM 2879 CG GLU B 89 1.546 20.267 -4.797 1.00 0.00 C ATOM 2880 CD GLU B 89 0.520 20.699 -3.750 1.00 0.00 C ATOM 2881 OE1 GLU B 89 -0.403 19.941 -3.505 1.00 0.00 O ATOM 2882 OE2 GLU B 89 0.675 21.782 -3.209 1.00 0.00 O ATOM 0 H GLU B 89 0.652 16.459 -6.465 1.00 0.00 H new ATOM 0 HA GLU B 89 -0.615 19.076 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU B 89 1.231 18.242 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU B 89 2.345 18.374 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU B 89 2.553 20.500 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU B 89 1.391 20.820 -5.723 1.00 0.00 H new ATOM 2889 N HIS B 90 0.651 18.035 -8.377 1.00 0.00 N ATOM 2890 CA HIS B 90 1.045 18.398 -9.768 1.00 0.00 C ATOM 2891 C HIS B 90 0.302 19.667 -10.192 1.00 0.00 C ATOM 2892 O HIS B 90 -0.865 19.629 -10.526 1.00 0.00 O ATOM 2893 CB HIS B 90 0.678 17.252 -10.714 1.00 0.00 C ATOM 2894 CG HIS B 90 1.916 16.745 -11.404 1.00 0.00 C ATOM 2895 ND1 HIS B 90 1.867 15.760 -12.378 1.00 0.00 N ATOM 2896 CD2 HIS B 90 3.242 17.073 -11.268 1.00 0.00 C ATOM 2897 CE1 HIS B 90 3.128 15.531 -12.786 1.00 0.00 C ATOM 2898 NE2 HIS B 90 4.006 16.303 -12.143 1.00 0.00 N ATOM 0 H HIS B 90 0.368 17.064 -8.245 1.00 0.00 H new ATOM 0 HA HIS B 90 2.120 18.575 -9.809 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.205 16.444 -10.155 1.00 0.00 H new ATOM 0 HB3 HIS B 90 -0.046 17.595 -11.453 1.00 0.00 H new ATOM 0 HD2 HIS B 90 3.633 17.814 -10.587 1.00 0.00 H new ATOM 0 HE1 HIS B 90 3.397 14.809 -13.543 1.00 0.00 H new ATOM 0 HE2 HIS B 90 5.018 16.325 -12.265 1.00 0.00 H new ATOM 2906 N GLU B 91 0.966 20.792 -10.185 1.00 0.00 N ATOM 2907 CA GLU B 91 0.290 22.057 -10.592 1.00 0.00 C ATOM 2908 C GLU B 91 1.233 22.880 -11.470 1.00 0.00 C ATOM 2909 O GLU B 91 0.737 23.638 -12.286 1.00 0.00 O ATOM 2910 CB GLU B 91 -0.083 22.864 -9.346 1.00 0.00 C ATOM 2911 CG GLU B 91 -1.570 23.229 -9.396 1.00 0.00 C ATOM 2912 CD GLU B 91 -1.793 24.574 -8.703 1.00 0.00 C ATOM 2913 OE1 GLU B 91 -1.019 25.483 -8.951 1.00 0.00 O ATOM 2914 OE2 GLU B 91 -2.738 24.675 -7.936 1.00 0.00 O ATOM 2915 OXT GLU B 91 2.434 22.737 -11.312 1.00 0.00 O ATOM 0 H GLU B 91 1.945 20.889 -9.916 1.00 0.00 H new ATOM 0 HA GLU B 91 -0.614 21.820 -11.153 1.00 0.00 H new ATOM 0 HB2 GLU B 91 0.129 22.284 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU B 91 0.522 23.769 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -1.907 23.282 -10.431 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -2.161 22.455 -8.907 1.00 0.00 H new TER 2922 GLU B 91