USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1125 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 143 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 114 ASN : amide:sc= 0.498 K(o=0.5,f=-0.89) USER MOD Set 2.2: A 117 MET CE :methyl -153:sc= 0 (180deg=-0.226) USER MOD Set 3.1: A 64 GLN : amide:sc= 0.852 K(o=2.1,f=0.17) USER MOD Set 3.2: A 67 ASN : amide:sc=0.000321 K(o=2.1,f=0.48) USER MOD Set 3.3: A 69 HIS : no HD1:sc= 1.25 K(o=2.1,f=-8.5!) USER MOD Set 4.1: A 31 GLN : amide:sc= 1.05 K(o=1.1,f=-1.4) USER MOD Set 4.2: A 35 ASN : amide:sc= 0.0234 K(o=1.1,f=-0.28!) USER MOD Set 5.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 14 LYS NZ :NH3+ -155:sc= 0.768 (180deg=0.428) USER MOD Single : A 1 SER N :NH3+ -142:sc= 0 (180deg=-0.849) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 166:sc= 0 (180deg=-0.223) USER MOD Single : A 11 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.27) USER MOD Single : A 16 MET CE :methyl -162:sc= -0.0612 (180deg=-0.586) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.716 K(o=0.72,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.0053) USER MOD Single : A 30 MET CE :methyl 149:sc= 0 (180deg=-0.0187) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.683 K(o=-0.68,f=-0.12) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0334 K(o=-0.033,f=-0.81) USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 1.15 (180deg=1.15) USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0.993 (180deg=0.952) USER MOD Single : A 66 MET CE :methyl 168:sc=-0.00132 (180deg=-0.193) USER MOD Single : A 70 HIS : no HD1:sc= 0.57 K(o=1.7,f=-7.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -96:sc=-0.00372 (180deg=-0.188) USER MOD Single : A 78 MET CE :methyl -179:sc= -0.213 (180deg=-0.215) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0667 K(o=-0.067,f=-5.6!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.425 X(o=-0.43,f=0.016) USER MOD Single : A 94 LYS NZ :NH3+ -155:sc= 1 (180deg=0.622) USER MOD Single : A 95 HIS : no HD1:sc= -2.85! C(o=-2.9!,f=-5.8!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.128) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.8 K(o=-0.8,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.409 USER MOD Single : A 120 LYS NZ :NH3+ -177:sc= 0.603 (180deg=0.578) USER MOD Single : A 124 HIS : no HD1:sc= 0.763 K(o=1.4,f=-5.7!) USER MOD Single : A 125 LYS NZ :NH3+ -169:sc= 0.961 (180deg=0.879) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0228 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.078 -8.881 -1.770 1.00 15.34 N ATOM 2 CA SER A 1 8.966 -7.688 -2.068 1.00 53.21 C ATOM 3 C SER A 1 8.754 -6.420 -1.268 1.00 35.33 C ATOM 4 O SER A 1 9.704 -5.689 -0.992 1.00 53.20 O ATOM 5 CB SER A 1 8.866 -7.298 -3.580 1.00 0.11 C ATOM 6 OG SER A 1 7.551 -6.911 -3.997 1.00 4.12 O ATOM 0 H1 SER A 1 8.638 -9.755 -1.835 1.00 15.34 H new ATOM 0 H2 SER A 1 7.686 -8.791 -0.811 1.00 15.34 H new ATOM 0 H3 SER A 1 7.300 -8.916 -2.460 1.00 15.34 H new ATOM 0 HA SER A 1 9.946 -8.060 -1.768 1.00 53.21 H new ATOM 0 HB2 SER A 1 9.555 -6.477 -3.779 1.00 0.11 H new ATOM 0 HB3 SER A 1 9.194 -8.143 -4.185 1.00 0.11 H new ATOM 0 HG SER A 1 7.565 -6.680 -4.949 1.00 4.12 H new ATOM 14 N LYS A 2 7.503 -6.113 -0.871 1.00 12.13 N ATOM 15 CA LYS A 2 7.163 -4.829 -0.309 1.00 33.12 C ATOM 16 C LYS A 2 7.257 -4.915 1.195 1.00 71.15 C ATOM 17 O LYS A 2 6.569 -5.708 1.833 1.00 3.42 O ATOM 18 CB LYS A 2 5.738 -4.364 -0.702 1.00 3.34 C ATOM 19 CG LYS A 2 5.530 -4.156 -2.214 1.00 11.25 C ATOM 20 CD LYS A 2 6.383 -3.029 -2.825 1.00 23.12 C ATOM 21 CE LYS A 2 6.055 -2.774 -4.297 1.00 55.34 C ATOM 22 NZ LYS A 2 6.918 -1.698 -4.821 1.00 54.22 N ATOM 0 H LYS A 2 6.716 -6.758 -0.938 1.00 12.13 H new ATOM 0 HA LYS A 2 7.866 -4.097 -0.708 1.00 33.12 H new ATOM 0 HB2 LYS A 2 5.018 -5.101 -0.347 1.00 3.34 H new ATOM 0 HB3 LYS A 2 5.519 -3.429 -0.186 1.00 3.34 H new ATOM 0 HG2 LYS A 2 5.757 -5.088 -2.731 1.00 11.25 H new ATOM 0 HG3 LYS A 2 4.478 -3.938 -2.397 1.00 11.25 H new ATOM 0 HD2 LYS A 2 6.226 -2.112 -2.258 1.00 23.12 H new ATOM 0 HD3 LYS A 2 7.438 -3.286 -2.731 1.00 23.12 H new ATOM 0 HE2 LYS A 2 6.203 -3.686 -4.876 1.00 55.34 H new ATOM 0 HE3 LYS A 2 5.006 -2.496 -4.403 1.00 55.34 H new ATOM 0 HZ1 LYS A 2 6.692 -1.528 -5.822 1.00 54.22 H new ATOM 0 HZ2 LYS A 2 6.756 -0.827 -4.276 1.00 54.22 H new ATOM 0 HZ3 LYS A 2 7.915 -1.980 -4.735 1.00 54.22 H new ATOM 36 N GLU A 3 8.167 -4.094 1.768 1.00 70.15 N ATOM 37 CA GLU A 3 8.550 -3.926 3.162 1.00 42.14 C ATOM 38 C GLU A 3 8.824 -5.214 3.928 1.00 12.54 C ATOM 39 O GLU A 3 8.739 -5.264 5.152 1.00 3.25 O ATOM 40 CB GLU A 3 7.563 -2.995 3.933 1.00 31.25 C ATOM 41 CG GLU A 3 6.102 -3.496 3.975 1.00 10.54 C ATOM 42 CD GLU A 3 5.202 -2.659 4.880 1.00 12.52 C ATOM 43 OE1 GLU A 3 5.515 -2.548 6.094 1.00 41.44 O ATOM 44 OE2 GLU A 3 4.195 -2.113 4.356 1.00 44.13 O ATOM 0 H GLU A 3 8.708 -3.462 1.178 1.00 70.15 H new ATOM 0 HA GLU A 3 9.520 -3.432 3.109 1.00 42.14 H new ATOM 0 HB2 GLU A 3 7.921 -2.876 4.955 1.00 31.25 H new ATOM 0 HB3 GLU A 3 7.581 -2.008 3.472 1.00 31.25 H new ATOM 0 HG2 GLU A 3 5.694 -3.491 2.964 1.00 10.54 H new ATOM 0 HG3 GLU A 3 6.090 -4.530 4.319 1.00 10.54 H new ATOM 51 N VAL A 4 9.240 -6.278 3.201 1.00 33.50 N ATOM 52 CA VAL A 4 9.586 -7.589 3.737 1.00 51.44 C ATOM 53 C VAL A 4 10.793 -7.542 4.648 1.00 32.11 C ATOM 54 O VAL A 4 10.840 -8.186 5.692 1.00 11.41 O ATOM 55 CB VAL A 4 9.912 -8.579 2.625 1.00 53.14 C ATOM 56 CG1 VAL A 4 10.342 -9.967 3.159 1.00 71.10 C ATOM 57 CG2 VAL A 4 8.722 -8.711 1.672 1.00 12.30 C ATOM 0 H VAL A 4 9.343 -6.231 2.187 1.00 33.50 H new ATOM 0 HA VAL A 4 8.708 -7.907 4.299 1.00 51.44 H new ATOM 0 HB VAL A 4 10.769 -8.179 2.083 1.00 53.14 H new ATOM 0 HG11 VAL A 4 10.561 -10.628 2.320 1.00 71.10 H new ATOM 0 HG12 VAL A 4 11.233 -9.859 3.778 1.00 71.10 H new ATOM 0 HG13 VAL A 4 9.535 -10.393 3.756 1.00 71.10 H new ATOM 0 HG21 VAL A 4 8.966 -9.421 0.881 1.00 12.30 H new ATOM 0 HG22 VAL A 4 7.852 -9.067 2.224 1.00 12.30 H new ATOM 0 HG23 VAL A 4 8.499 -7.739 1.231 1.00 12.30 H new ATOM 67 N MET A 5 11.832 -6.813 4.187 1.00 51.12 N ATOM 68 CA MET A 5 13.222 -7.120 4.430 1.00 73.12 C ATOM 69 C MET A 5 13.708 -6.985 5.866 1.00 70.10 C ATOM 70 O MET A 5 14.743 -7.542 6.228 1.00 34.33 O ATOM 71 CB MET A 5 14.132 -6.280 3.493 1.00 10.13 C ATOM 72 CG MET A 5 14.108 -4.756 3.734 1.00 45.21 C ATOM 73 SD MET A 5 15.155 -3.835 2.568 1.00 70.54 S ATOM 74 CE MET A 5 14.814 -2.210 3.299 1.00 54.32 C ATOM 0 H MET A 5 11.703 -5.974 3.621 1.00 51.12 H new ATOM 0 HA MET A 5 13.294 -8.186 4.213 1.00 73.12 H new ATOM 0 HB2 MET A 5 15.158 -6.631 3.602 1.00 10.13 H new ATOM 0 HB3 MET A 5 13.837 -6.472 2.461 1.00 10.13 H new ATOM 0 HG2 MET A 5 13.082 -4.397 3.654 1.00 45.21 H new ATOM 0 HG3 MET A 5 14.439 -4.550 4.752 1.00 45.21 H new ATOM 0 HE1 MET A 5 15.357 -1.442 2.748 1.00 54.32 H new ATOM 0 HE2 MET A 5 13.745 -2.006 3.249 1.00 54.32 H new ATOM 0 HE3 MET A 5 15.136 -2.205 4.340 1.00 54.32 H new ATOM 84 N LYS A 6 12.997 -6.194 6.702 1.00 75.12 N ATOM 85 CA LYS A 6 13.377 -5.875 8.066 1.00 53.15 C ATOM 86 C LYS A 6 13.344 -7.137 8.932 1.00 41.24 C ATOM 87 O LYS A 6 12.415 -7.937 8.856 1.00 55.12 O ATOM 88 CB LYS A 6 12.445 -4.745 8.590 1.00 21.45 C ATOM 89 CG LYS A 6 12.797 -4.063 9.932 1.00 43.43 C ATOM 90 CD LYS A 6 12.439 -4.834 11.215 1.00 10.30 C ATOM 91 CE LYS A 6 12.395 -3.959 12.474 1.00 41.12 C ATOM 92 NZ LYS A 6 13.716 -3.357 12.743 1.00 61.11 N ATOM 0 H LYS A 6 12.120 -5.755 6.422 1.00 75.12 H new ATOM 0 HA LYS A 6 14.402 -5.506 8.109 1.00 53.15 H new ATOM 0 HB2 LYS A 6 12.402 -3.970 7.825 1.00 21.45 H new ATOM 0 HB3 LYS A 6 11.441 -5.159 8.682 1.00 21.45 H new ATOM 0 HG2 LYS A 6 13.869 -3.865 9.942 1.00 43.43 H new ATOM 0 HG3 LYS A 6 12.294 -3.096 9.965 1.00 43.43 H new ATOM 0 HD2 LYS A 6 11.468 -5.311 11.082 1.00 10.30 H new ATOM 0 HD3 LYS A 6 13.168 -5.631 11.364 1.00 10.30 H new ATOM 0 HE2 LYS A 6 11.651 -3.172 12.349 1.00 41.12 H new ATOM 0 HE3 LYS A 6 12.084 -4.560 13.329 1.00 41.12 H new ATOM 0 HZ1 LYS A 6 13.662 -2.769 13.599 1.00 61.11 H new ATOM 0 HZ2 LYS A 6 14.419 -4.111 12.884 1.00 61.11 H new ATOM 0 HZ3 LYS A 6 13.999 -2.766 11.935 1.00 61.11 H new ATOM 106 N GLN A 7 14.403 -7.369 9.747 1.00 41.04 N ATOM 107 CA GLN A 7 14.758 -8.685 10.261 1.00 42.32 C ATOM 108 C GLN A 7 13.750 -9.390 11.163 1.00 54.31 C ATOM 109 O GLN A 7 13.683 -10.617 11.153 1.00 33.04 O ATOM 110 CB GLN A 7 16.141 -8.635 10.973 1.00 61.10 C ATOM 111 CG GLN A 7 16.209 -7.755 12.244 1.00 13.45 C ATOM 112 CD GLN A 7 17.616 -7.764 12.850 1.00 43.35 C ATOM 113 OE1 GLN A 7 17.876 -8.451 13.839 1.00 34.32 O ATOM 114 NE2 GLN A 7 18.547 -6.974 12.252 1.00 1.14 N ATOM 0 H GLN A 7 15.032 -6.629 10.060 1.00 41.04 H new ATOM 0 HA GLN A 7 14.779 -9.298 9.360 1.00 42.32 H new ATOM 0 HB2 GLN A 7 16.428 -9.652 11.241 1.00 61.10 H new ATOM 0 HB3 GLN A 7 16.883 -8.272 10.262 1.00 61.10 H new ATOM 0 HG2 GLN A 7 15.923 -6.733 11.997 1.00 13.45 H new ATOM 0 HG3 GLN A 7 15.491 -8.118 12.980 1.00 13.45 H new ATOM 0 HE21 GLN A 7 18.295 -6.419 11.434 1.00 1.14 H new ATOM 0 HE22 GLN A 7 19.497 -6.937 12.621 1.00 1.14 H new ATOM 123 N MET A 8 12.942 -8.655 11.959 1.00 1.12 N ATOM 124 CA MET A 8 11.888 -9.246 12.759 1.00 34.23 C ATOM 125 C MET A 8 10.571 -8.632 12.330 1.00 21.41 C ATOM 126 O MET A 8 10.434 -7.411 12.265 1.00 24.12 O ATOM 127 CB MET A 8 12.120 -9.004 14.272 1.00 60.35 C ATOM 128 CG MET A 8 11.060 -9.644 15.195 1.00 22.51 C ATOM 129 SD MET A 8 11.377 -9.418 16.974 1.00 73.31 S ATOM 130 CE MET A 8 10.953 -7.653 17.055 1.00 72.03 C ATOM 0 H MET A 8 13.015 -7.642 12.053 1.00 1.12 H new ATOM 0 HA MET A 8 11.879 -10.325 12.602 1.00 34.23 H new ATOM 0 HB2 MET A 8 13.101 -9.394 14.543 1.00 60.35 H new ATOM 0 HB3 MET A 8 12.142 -7.930 14.456 1.00 60.35 H new ATOM 0 HG2 MET A 8 10.084 -9.221 14.956 1.00 22.51 H new ATOM 0 HG3 MET A 8 11.006 -10.711 14.981 1.00 22.51 H new ATOM 0 HE1 MET A 8 10.836 -7.354 18.097 1.00 72.03 H new ATOM 0 HE2 MET A 8 11.749 -7.066 16.597 1.00 72.03 H new ATOM 0 HE3 MET A 8 10.020 -7.478 16.520 1.00 72.03 H new ATOM 140 N THR A 9 9.560 -9.476 12.031 1.00 12.52 N ATOM 141 CA THR A 9 8.222 -9.045 11.659 1.00 53.04 C ATOM 142 C THR A 9 7.245 -9.795 12.540 1.00 4.20 C ATOM 143 O THR A 9 7.603 -10.791 13.167 1.00 22.22 O ATOM 144 CB THR A 9 7.879 -9.251 10.176 1.00 71.20 C ATOM 145 OG1 THR A 9 7.942 -10.615 9.775 1.00 22.41 O ATOM 146 CG2 THR A 9 8.851 -8.451 9.290 1.00 12.34 C ATOM 0 H THR A 9 9.667 -10.490 12.046 1.00 12.52 H new ATOM 0 HA THR A 9 8.162 -7.967 11.808 1.00 53.04 H new ATOM 0 HB THR A 9 6.853 -8.903 10.053 1.00 71.20 H new ATOM 0 HG1 THR A 9 7.713 -10.688 8.825 1.00 22.41 H new ATOM 0 HG21 THR A 9 8.598 -8.605 8.241 1.00 12.34 H new ATOM 0 HG22 THR A 9 8.773 -7.391 9.530 1.00 12.34 H new ATOM 0 HG23 THR A 9 9.871 -8.790 9.471 1.00 12.34 H new ATOM 154 N ILE A 10 5.984 -9.316 12.634 1.00 45.43 N ATOM 155 CA ILE A 10 4.949 -9.954 13.431 1.00 44.41 C ATOM 156 C ILE A 10 3.746 -10.201 12.545 1.00 65.32 C ATOM 157 O ILE A 10 3.556 -9.532 11.529 1.00 61.41 O ATOM 158 CB ILE A 10 4.543 -9.150 14.673 1.00 53.13 C ATOM 159 CG1 ILE A 10 3.978 -7.741 14.346 1.00 53.11 C ATOM 160 CG2 ILE A 10 5.746 -9.087 15.643 1.00 42.02 C ATOM 161 CD1 ILE A 10 3.403 -7.013 15.568 1.00 25.35 C ATOM 0 H ILE A 10 5.670 -8.473 12.153 1.00 45.43 H new ATOM 0 HA ILE A 10 5.356 -10.891 13.810 1.00 44.41 H new ATOM 0 HB ILE A 10 3.713 -9.668 15.153 1.00 53.13 H new ATOM 0 HG12 ILE A 10 4.771 -7.133 13.910 1.00 53.11 H new ATOM 0 HG13 ILE A 10 3.198 -7.837 13.590 1.00 53.11 H new ATOM 0 HG21 ILE A 10 5.469 -8.517 16.530 1.00 42.02 H new ATOM 0 HG22 ILE A 10 6.031 -10.098 15.935 1.00 42.02 H new ATOM 0 HG23 ILE A 10 6.587 -8.601 15.148 1.00 42.02 H new ATOM 0 HD11 ILE A 10 3.027 -6.036 15.266 1.00 25.35 H new ATOM 0 HD12 ILE A 10 2.588 -7.600 15.991 1.00 25.35 H new ATOM 0 HD13 ILE A 10 4.185 -6.885 16.316 1.00 25.35 H new ATOM 173 N ASN A 11 2.899 -11.196 12.905 1.00 64.22 N ATOM 174 CA ASN A 11 1.711 -11.581 12.155 1.00 33.40 C ATOM 175 C ASN A 11 0.641 -10.504 12.110 1.00 42.20 C ATOM 176 O ASN A 11 -0.019 -10.321 11.090 1.00 40.32 O ATOM 177 CB ASN A 11 1.074 -12.873 12.721 1.00 4.14 C ATOM 178 CG ASN A 11 2.002 -14.063 12.487 1.00 62.53 C ATOM 179 OD1 ASN A 11 2.534 -14.628 13.444 1.00 12.12 O ATOM 180 ND2 ASN A 11 2.177 -14.473 11.203 1.00 72.20 N ATOM 0 H ASN A 11 3.039 -11.756 13.746 1.00 64.22 H new ATOM 0 HA ASN A 11 2.070 -11.746 11.139 1.00 33.40 H new ATOM 0 HB2 ASN A 11 0.882 -12.756 13.788 1.00 4.14 H new ATOM 0 HB3 ASN A 11 0.112 -13.053 12.242 1.00 4.14 H new ATOM 0 HD21 ASN A 11 2.769 -15.279 11.001 1.00 72.20 H new ATOM 0 HD22 ASN A 11 1.717 -13.975 10.441 1.00 72.20 H new ATOM 187 N PHE A 12 0.457 -9.768 13.231 1.00 44.21 N ATOM 188 CA PHE A 12 -0.608 -8.807 13.485 1.00 31.14 C ATOM 189 C PHE A 12 -0.587 -7.653 12.484 1.00 53.43 C ATOM 190 O PHE A 12 -1.618 -7.084 12.131 1.00 74.42 O ATOM 191 CB PHE A 12 -0.498 -8.334 14.966 1.00 3.05 C ATOM 192 CG PHE A 12 -1.654 -7.478 15.423 1.00 14.31 C ATOM 193 CD1 PHE A 12 -2.934 -8.049 15.544 1.00 4.01 C ATOM 194 CD2 PHE A 12 -1.465 -6.149 15.837 1.00 1.31 C ATOM 195 CE1 PHE A 12 -4.010 -7.302 16.038 1.00 15.24 C ATOM 196 CE2 PHE A 12 -2.537 -5.402 16.348 1.00 51.24 C ATOM 197 CZ PHE A 12 -3.810 -5.977 16.440 1.00 53.12 C ATOM 0 H PHE A 12 1.095 -9.844 14.023 1.00 44.21 H new ATOM 0 HA PHE A 12 -1.578 -9.282 13.341 1.00 31.14 H new ATOM 0 HB2 PHE A 12 -0.429 -9.209 15.612 1.00 3.05 H new ATOM 0 HB3 PHE A 12 0.428 -7.773 15.090 1.00 3.05 H new ATOM 0 HD1 PHE A 12 -3.089 -9.077 15.252 1.00 4.01 H new ATOM 0 HD2 PHE A 12 -0.486 -5.699 15.761 1.00 1.31 H new ATOM 0 HE1 PHE A 12 -4.991 -7.747 16.109 1.00 15.24 H new ATOM 0 HE2 PHE A 12 -2.380 -4.383 16.670 1.00 51.24 H new ATOM 0 HZ PHE A 12 -4.638 -5.398 16.821 1.00 53.12 H new ATOM 207 N ALA A 13 0.612 -7.309 11.974 1.00 41.04 N ATOM 208 CA ALA A 13 0.816 -6.357 10.909 1.00 32.50 C ATOM 209 C ALA A 13 0.194 -6.706 9.562 1.00 42.23 C ATOM 210 O ALA A 13 -0.215 -5.798 8.840 1.00 4.22 O ATOM 211 CB ALA A 13 2.319 -6.117 10.714 1.00 71.32 C ATOM 0 H ALA A 13 1.484 -7.711 12.317 1.00 41.04 H new ATOM 0 HA ALA A 13 0.291 -5.462 11.242 1.00 32.50 H new ATOM 0 HB1 ALA A 13 2.471 -5.398 9.909 1.00 71.32 H new ATOM 0 HB2 ALA A 13 2.748 -5.725 11.637 1.00 71.32 H new ATOM 0 HB3 ALA A 13 2.807 -7.057 10.457 1.00 71.32 H new ATOM 217 N LYS A 14 0.106 -8.000 9.152 1.00 71.43 N ATOM 218 CA LYS A 14 -0.418 -8.353 7.841 1.00 14.20 C ATOM 219 C LYS A 14 -1.886 -7.973 7.646 1.00 43.53 C ATOM 220 O LYS A 14 -2.170 -7.345 6.623 1.00 14.42 O ATOM 221 CB LYS A 14 -0.218 -9.857 7.482 1.00 11.10 C ATOM 222 CG LYS A 14 1.236 -10.255 7.144 1.00 54.11 C ATOM 223 CD LYS A 14 2.145 -10.503 8.359 1.00 75.24 C ATOM 224 CE LYS A 14 3.584 -10.849 7.976 1.00 0.51 C ATOM 225 NZ LYS A 14 4.349 -11.159 9.198 1.00 42.42 N ATOM 0 H LYS A 14 0.394 -8.798 9.719 1.00 71.43 H new ATOM 0 HA LYS A 14 0.179 -7.754 7.154 1.00 14.20 H new ATOM 0 HB2 LYS A 14 -0.561 -10.465 8.320 1.00 11.10 H new ATOM 0 HB3 LYS A 14 -0.854 -10.100 6.631 1.00 11.10 H new ATOM 0 HG2 LYS A 14 1.216 -11.158 6.534 1.00 54.11 H new ATOM 0 HG3 LYS A 14 1.679 -9.468 6.533 1.00 54.11 H new ATOM 0 HD2 LYS A 14 2.148 -9.614 8.990 1.00 75.24 H new ATOM 0 HD3 LYS A 14 1.730 -11.315 8.955 1.00 75.24 H new ATOM 0 HE2 LYS A 14 3.597 -11.702 7.298 1.00 0.51 H new ATOM 0 HE3 LYS A 14 4.043 -10.014 7.447 1.00 0.51 H new ATOM 0 HZ1 LYS A 14 5.360 -10.981 9.029 1.00 42.42 H new ATOM 0 HZ2 LYS A 14 4.017 -10.557 9.978 1.00 42.42 H new ATOM 0 HZ3 LYS A 14 4.211 -12.159 9.450 1.00 42.42 H new ATOM 239 N PRO A 15 -2.855 -8.223 8.539 1.00 32.11 N ATOM 240 CA PRO A 15 -4.160 -7.587 8.447 1.00 53.41 C ATOM 241 C PRO A 15 -4.149 -6.091 8.681 1.00 23.32 C ATOM 242 O PRO A 15 -5.043 -5.414 8.177 1.00 53.20 O ATOM 243 CB PRO A 15 -5.006 -8.321 9.494 1.00 71.42 C ATOM 244 CG PRO A 15 -4.026 -8.900 10.510 1.00 53.25 C ATOM 245 CD PRO A 15 -2.765 -9.144 9.680 1.00 23.22 C ATOM 0 HA PRO A 15 -4.556 -7.668 7.435 1.00 53.41 H new ATOM 0 HB2 PRO A 15 -5.706 -7.639 9.975 1.00 71.42 H new ATOM 0 HB3 PRO A 15 -5.598 -9.111 9.031 1.00 71.42 H new ATOM 0 HG2 PRO A 15 -3.840 -8.207 11.330 1.00 53.25 H new ATOM 0 HG3 PRO A 15 -4.402 -9.823 10.952 1.00 53.25 H new ATOM 0 HD2 PRO A 15 -1.867 -8.953 10.267 1.00 23.22 H new ATOM 0 HD3 PRO A 15 -2.712 -10.180 9.344 1.00 23.22 H new ATOM 253 N MET A 16 -3.183 -5.534 9.444 1.00 40.32 N ATOM 254 CA MET A 16 -3.159 -4.111 9.730 1.00 22.44 C ATOM 255 C MET A 16 -2.815 -3.274 8.495 1.00 3.01 C ATOM 256 O MET A 16 -3.456 -2.261 8.210 1.00 3.15 O ATOM 257 CB MET A 16 -2.174 -3.814 10.885 1.00 42.33 C ATOM 258 CG MET A 16 -2.256 -2.372 11.422 1.00 42.03 C ATOM 259 SD MET A 16 -0.999 -1.946 12.671 1.00 11.11 S ATOM 260 CE MET A 16 -1.515 -3.140 13.934 1.00 54.43 C ATOM 0 H MET A 16 -2.417 -6.060 9.865 1.00 40.32 H new ATOM 0 HA MET A 16 -4.165 -3.823 10.036 1.00 22.44 H new ATOM 0 HB2 MET A 16 -2.369 -4.507 11.703 1.00 42.33 H new ATOM 0 HB3 MET A 16 -1.158 -4.006 10.541 1.00 42.33 H new ATOM 0 HG2 MET A 16 -2.163 -1.682 10.584 1.00 42.03 H new ATOM 0 HG3 MET A 16 -3.244 -2.216 11.855 1.00 42.03 H new ATOM 0 HE1 MET A 16 -1.100 -2.851 14.899 1.00 54.43 H new ATOM 0 HE2 MET A 16 -2.603 -3.156 13.997 1.00 54.43 H new ATOM 0 HE3 MET A 16 -1.152 -4.132 13.666 1.00 54.43 H new ATOM 270 N GLU A 17 -1.797 -3.703 7.702 1.00 23.24 N ATOM 271 CA GLU A 17 -1.385 -3.025 6.483 1.00 5.40 C ATOM 272 C GLU A 17 -2.382 -3.225 5.363 1.00 41.53 C ATOM 273 O GLU A 17 -2.579 -2.353 4.516 1.00 11.44 O ATOM 274 CB GLU A 17 0.034 -3.451 6.008 1.00 53.21 C ATOM 275 CG GLU A 17 0.206 -4.925 5.563 1.00 11.11 C ATOM 276 CD GLU A 17 1.642 -5.235 5.134 1.00 33.35 C ATOM 277 OE1 GLU A 17 2.555 -5.128 5.993 1.00 71.24 O ATOM 278 OE2 GLU A 17 1.828 -5.596 3.943 1.00 32.52 O ATOM 0 H GLU A 17 -1.247 -4.537 7.909 1.00 23.24 H new ATOM 0 HA GLU A 17 -1.348 -1.965 6.735 1.00 5.40 H new ATOM 0 HB2 GLU A 17 0.321 -2.809 5.176 1.00 53.21 H new ATOM 0 HB3 GLU A 17 0.737 -3.256 6.818 1.00 53.21 H new ATOM 0 HG2 GLU A 17 -0.077 -5.586 6.382 1.00 11.11 H new ATOM 0 HG3 GLU A 17 -0.472 -5.135 4.736 1.00 11.11 H new ATOM 285 N ALA A 18 -3.077 -4.386 5.358 1.00 53.40 N ATOM 286 CA ALA A 18 -4.223 -4.628 4.512 1.00 22.33 C ATOM 287 C ALA A 18 -5.362 -3.697 4.822 1.00 24.01 C ATOM 288 O ALA A 18 -5.977 -3.168 3.903 1.00 11.53 O ATOM 289 CB ALA A 18 -4.789 -6.044 4.633 1.00 42.22 C ATOM 0 H ALA A 18 -2.839 -5.178 5.956 1.00 53.40 H new ATOM 0 HA ALA A 18 -3.836 -4.467 3.506 1.00 22.33 H new ATOM 0 HB1 ALA A 18 -5.647 -6.151 3.969 1.00 42.22 H new ATOM 0 HB2 ALA A 18 -4.022 -6.767 4.355 1.00 42.22 H new ATOM 0 HB3 ALA A 18 -5.102 -6.224 5.662 1.00 42.22 H new ATOM 295 N CYS A 19 -5.650 -3.441 6.122 1.00 51.20 N ATOM 296 CA CYS A 19 -6.716 -2.542 6.514 1.00 54.11 C ATOM 297 C CYS A 19 -6.415 -1.159 5.952 1.00 44.32 C ATOM 298 O CYS A 19 -7.242 -0.593 5.254 1.00 72.42 O ATOM 299 CB CYS A 19 -6.846 -2.447 8.052 1.00 4.23 C ATOM 300 SG CYS A 19 -8.393 -1.754 8.461 1.00 71.32 S ATOM 0 H CYS A 19 -5.145 -3.856 6.905 1.00 51.20 H new ATOM 0 HA CYS A 19 -7.656 -2.928 6.121 1.00 54.11 H new ATOM 0 HB2 CYS A 19 -6.749 -3.437 8.498 1.00 4.23 H new ATOM 0 HB3 CYS A 19 -6.042 -1.834 8.459 1.00 4.23 H new ATOM 305 N LYS A 20 -5.177 -0.634 6.094 1.00 73.31 N ATOM 306 CA LYS A 20 -4.878 0.747 5.730 1.00 63.15 C ATOM 307 C LYS A 20 -5.152 1.048 4.262 1.00 53.41 C ATOM 308 O LYS A 20 -5.759 2.063 3.915 1.00 10.12 O ATOM 309 CB LYS A 20 -3.406 1.072 6.096 1.00 44.11 C ATOM 310 CG LYS A 20 -2.956 2.530 5.857 1.00 0.14 C ATOM 311 CD LYS A 20 -2.271 2.815 4.508 1.00 30.01 C ATOM 312 CE LYS A 20 -0.824 2.332 4.427 1.00 23.23 C ATOM 313 NZ LYS A 20 -0.287 2.605 3.078 1.00 64.22 N ATOM 0 H LYS A 20 -4.379 -1.154 6.458 1.00 73.31 H new ATOM 0 HA LYS A 20 -5.550 1.389 6.299 1.00 63.15 H new ATOM 0 HB2 LYS A 20 -3.253 0.833 7.148 1.00 44.11 H new ATOM 0 HB3 LYS A 20 -2.755 0.413 5.521 1.00 44.11 H new ATOM 0 HG2 LYS A 20 -3.829 3.177 5.942 1.00 0.14 H new ATOM 0 HG3 LYS A 20 -2.271 2.813 6.656 1.00 0.14 H new ATOM 0 HD2 LYS A 20 -2.846 2.340 3.713 1.00 30.01 H new ATOM 0 HD3 LYS A 20 -2.295 3.888 4.320 1.00 30.01 H new ATOM 0 HE2 LYS A 20 -0.219 2.837 5.180 1.00 23.23 H new ATOM 0 HE3 LYS A 20 -0.774 1.264 4.641 1.00 23.23 H new ATOM 0 HZ1 LYS A 20 0.698 2.276 3.023 1.00 64.22 H new ATOM 0 HZ2 LYS A 20 -0.859 2.104 2.369 1.00 64.22 H new ATOM 0 HZ3 LYS A 20 -0.321 3.627 2.891 1.00 64.22 H new ATOM 327 N GLN A 21 -4.761 0.126 3.358 1.00 43.14 N ATOM 328 CA GLN A 21 -5.061 0.264 1.948 1.00 42.22 C ATOM 329 C GLN A 21 -6.498 -0.048 1.582 1.00 73.41 C ATOM 330 O GLN A 21 -7.100 0.655 0.774 1.00 13.52 O ATOM 331 CB GLN A 21 -4.136 -0.619 1.101 1.00 43.13 C ATOM 332 CG GLN A 21 -4.302 -2.125 1.354 1.00 75.42 C ATOM 333 CD GLN A 21 -3.132 -2.951 0.849 1.00 5.24 C ATOM 334 OE1 GLN A 21 -3.016 -3.313 -0.322 1.00 63.14 O ATOM 335 NE2 GLN A 21 -2.270 -3.332 1.826 1.00 54.14 N ATOM 0 H GLN A 21 -4.237 -0.717 3.596 1.00 43.14 H new ATOM 0 HA GLN A 21 -4.895 1.319 1.731 1.00 42.22 H new ATOM 0 HB2 GLN A 21 -4.323 -0.416 0.047 1.00 43.13 H new ATOM 0 HB3 GLN A 21 -3.102 -0.340 1.301 1.00 43.13 H new ATOM 0 HG2 GLN A 21 -4.423 -2.296 2.424 1.00 75.42 H new ATOM 0 HG3 GLN A 21 -5.216 -2.469 0.871 1.00 75.42 H new ATOM 0 HE21 GLN A 21 -2.407 -3.006 2.783 1.00 54.14 H new ATOM 0 HE22 GLN A 21 -1.485 -3.944 1.603 1.00 54.14 H new ATOM 344 N GLU A 22 -7.090 -1.094 2.208 1.00 2.13 N ATOM 345 CA GLU A 22 -8.463 -1.544 1.996 1.00 74.13 C ATOM 346 C GLU A 22 -9.439 -0.460 2.340 1.00 54.13 C ATOM 347 O GLU A 22 -10.447 -0.256 1.668 1.00 54.21 O ATOM 348 CB GLU A 22 -8.803 -2.816 2.817 1.00 63.13 C ATOM 349 CG GLU A 22 -10.202 -3.389 2.469 1.00 4.14 C ATOM 350 CD GLU A 22 -10.498 -4.728 3.134 1.00 15.15 C ATOM 351 OE1 GLU A 22 -9.778 -5.715 2.822 1.00 13.21 O ATOM 352 OE2 GLU A 22 -11.466 -4.788 3.937 1.00 52.50 O ATOM 0 H GLU A 22 -6.595 -1.660 2.897 1.00 2.13 H new ATOM 0 HA GLU A 22 -8.545 -1.792 0.938 1.00 74.13 H new ATOM 0 HB2 GLU A 22 -8.045 -3.578 2.632 1.00 63.13 H new ATOM 0 HB3 GLU A 22 -8.765 -2.580 3.880 1.00 63.13 H new ATOM 0 HG2 GLU A 22 -10.964 -2.669 2.767 1.00 4.14 H new ATOM 0 HG3 GLU A 22 -10.279 -3.505 1.388 1.00 4.14 H new ATOM 359 N LEU A 23 -9.127 0.272 3.420 1.00 50.54 N ATOM 360 CA LEU A 23 -10.008 1.316 3.907 1.00 62.33 C ATOM 361 C LEU A 23 -9.773 2.603 3.131 1.00 31.20 C ATOM 362 O LEU A 23 -10.562 3.540 3.230 1.00 72.23 O ATOM 363 CB LEU A 23 -9.786 1.640 5.398 1.00 44.45 C ATOM 364 CG LEU A 23 -9.938 0.449 6.364 1.00 23.03 C ATOM 365 CD1 LEU A 23 -10.096 0.798 7.848 1.00 25.42 C ATOM 366 CD2 LEU A 23 -10.633 -0.847 5.931 1.00 40.52 C ATOM 0 H LEU A 23 -8.272 0.152 3.963 1.00 50.54 H new ATOM 0 HA LEU A 23 -11.022 0.940 3.772 1.00 62.33 H new ATOM 0 HB2 LEU A 23 -8.786 2.057 5.517 1.00 44.45 H new ATOM 0 HB3 LEU A 23 -10.492 2.417 5.692 1.00 44.45 H new ATOM 0 HG LEU A 23 -8.913 0.102 6.232 1.00 23.03 H new ATOM 0 HD11 LEU A 23 -10.194 -0.119 8.429 1.00 25.42 H new ATOM 0 HD12 LEU A 23 -9.220 1.350 8.187 1.00 25.42 H new ATOM 0 HD13 LEU A 23 -10.987 1.411 7.985 1.00 25.42 H new ATOM 0 HD21 LEU A 23 -10.632 -1.555 6.760 1.00 40.52 H new ATOM 0 HD22 LEU A 23 -11.661 -0.629 5.641 1.00 40.52 H new ATOM 0 HD23 LEU A 23 -10.101 -1.280 5.084 1.00 40.52 H new ATOM 378 N ASN A 24 -8.663 2.657 2.347 1.00 22.32 N ATOM 379 CA ASN A 24 -8.177 3.807 1.600 1.00 22.23 C ATOM 380 C ASN A 24 -7.887 5.019 2.485 1.00 10.12 C ATOM 381 O ASN A 24 -8.285 6.148 2.209 1.00 53.50 O ATOM 382 CB ASN A 24 -9.173 4.127 0.444 1.00 0.30 C ATOM 383 CG ASN A 24 -8.612 5.044 -0.647 1.00 42.53 C ATOM 384 OD1 ASN A 24 -9.212 6.056 -1.015 1.00 23.34 O ATOM 385 ND2 ASN A 24 -7.443 4.654 -1.220 1.00 51.45 N ATOM 0 H ASN A 24 -8.062 1.842 2.225 1.00 22.32 H new ATOM 0 HA ASN A 24 -7.210 3.551 1.167 1.00 22.23 H new ATOM 0 HB2 ASN A 24 -9.489 3.190 -0.015 1.00 0.30 H new ATOM 0 HB3 ASN A 24 -10.064 4.591 0.868 1.00 0.30 H new ATOM 0 HD21 ASN A 24 -7.038 5.204 -1.977 1.00 51.45 H new ATOM 0 HD22 ASN A 24 -6.971 3.811 -0.893 1.00 51.45 H new ATOM 392 N VAL A 25 -7.157 4.780 3.592 1.00 62.21 N ATOM 393 CA VAL A 25 -6.844 5.772 4.607 1.00 31.44 C ATOM 394 C VAL A 25 -5.333 5.941 4.662 1.00 45.32 C ATOM 395 O VAL A 25 -4.608 5.061 4.200 1.00 1.13 O ATOM 396 CB VAL A 25 -7.418 5.404 5.978 1.00 54.50 C ATOM 397 CG1 VAL A 25 -8.958 5.384 5.903 1.00 35.23 C ATOM 398 CG2 VAL A 25 -6.875 4.044 6.457 1.00 24.13 C ATOM 0 H VAL A 25 -6.764 3.862 3.799 1.00 62.21 H new ATOM 0 HA VAL A 25 -7.313 6.718 4.335 1.00 31.44 H new ATOM 0 HB VAL A 25 -7.107 6.155 6.704 1.00 54.50 H new ATOM 0 HG11 VAL A 25 -9.366 5.122 6.879 1.00 35.23 H new ATOM 0 HG12 VAL A 25 -9.321 6.369 5.610 1.00 35.23 H new ATOM 0 HG13 VAL A 25 -9.277 4.646 5.166 1.00 35.23 H new ATOM 0 HG21 VAL A 25 -7.298 3.807 7.433 1.00 24.13 H new ATOM 0 HG22 VAL A 25 -7.153 3.269 5.743 1.00 24.13 H new ATOM 0 HG23 VAL A 25 -5.789 4.093 6.535 1.00 24.13 H new ATOM 408 N PRO A 26 -4.780 7.046 5.155 1.00 41.42 N ATOM 409 CA PRO A 26 -3.339 7.234 5.240 1.00 35.01 C ATOM 410 C PRO A 26 -2.684 6.420 6.343 1.00 23.41 C ATOM 411 O PRO A 26 -3.339 5.903 7.248 1.00 12.14 O ATOM 412 CB PRO A 26 -3.191 8.748 5.492 1.00 50.10 C ATOM 413 CG PRO A 26 -4.469 9.126 6.235 1.00 73.51 C ATOM 414 CD PRO A 26 -5.512 8.254 5.544 1.00 42.43 C ATOM 0 HA PRO A 26 -2.836 6.889 4.337 1.00 35.01 H new ATOM 0 HB2 PRO A 26 -2.304 8.969 6.086 1.00 50.10 H new ATOM 0 HB3 PRO A 26 -3.095 9.301 4.557 1.00 50.10 H new ATOM 0 HG2 PRO A 26 -4.399 8.910 7.301 1.00 73.51 H new ATOM 0 HG3 PRO A 26 -4.697 10.188 6.139 1.00 73.51 H new ATOM 0 HD2 PRO A 26 -6.339 8.019 6.214 1.00 42.43 H new ATOM 0 HD3 PRO A 26 -5.938 8.757 4.676 1.00 42.43 H new ATOM 422 N ASP A 27 -1.335 6.353 6.286 1.00 4.24 N ATOM 423 CA ASP A 27 -0.429 5.680 7.200 1.00 41.02 C ATOM 424 C ASP A 27 -0.572 6.290 8.589 1.00 34.15 C ATOM 425 O ASP A 27 -0.498 5.608 9.608 1.00 53.00 O ATOM 426 CB ASP A 27 1.020 5.778 6.635 1.00 44.05 C ATOM 427 CG ASP A 27 2.050 4.968 7.425 1.00 12.53 C ATOM 428 OD1 ASP A 27 2.528 5.485 8.467 1.00 25.22 O ATOM 429 OD2 ASP A 27 2.382 3.844 6.970 1.00 33.45 O ATOM 0 H ASP A 27 -0.825 6.811 5.531 1.00 4.24 H new ATOM 0 HA ASP A 27 -0.671 4.621 7.292 1.00 41.02 H new ATOM 0 HB2 ASP A 27 1.020 5.436 5.600 1.00 44.05 H new ATOM 0 HB3 ASP A 27 1.325 6.824 6.625 1.00 44.05 H new ATOM 434 N ALA A 28 -0.856 7.608 8.608 1.00 32.25 N ATOM 435 CA ALA A 28 -1.106 8.439 9.756 1.00 11.14 C ATOM 436 C ALA A 28 -2.220 7.930 10.652 1.00 12.33 C ATOM 437 O ALA A 28 -2.181 8.114 11.867 1.00 51.32 O ATOM 438 CB ALA A 28 -1.472 9.853 9.282 1.00 31.21 C ATOM 0 H ALA A 28 -0.916 8.141 7.741 1.00 32.25 H new ATOM 0 HA ALA A 28 -0.190 8.430 10.347 1.00 11.14 H new ATOM 0 HB1 ALA A 28 -1.663 10.489 10.147 1.00 31.21 H new ATOM 0 HB2 ALA A 28 -0.647 10.267 8.702 1.00 31.21 H new ATOM 0 HB3 ALA A 28 -2.366 9.808 8.660 1.00 31.21 H new ATOM 444 N VAL A 29 -3.261 7.284 10.090 1.00 10.13 N ATOM 445 CA VAL A 29 -4.389 6.924 10.926 1.00 40.34 C ATOM 446 C VAL A 29 -4.359 5.462 11.330 1.00 30.24 C ATOM 447 O VAL A 29 -4.887 5.105 12.380 1.00 64.12 O ATOM 448 CB VAL A 29 -5.707 7.268 10.287 1.00 22.30 C ATOM 449 CG1 VAL A 29 -5.725 8.726 9.776 1.00 11.41 C ATOM 450 CG2 VAL A 29 -6.206 6.232 9.281 1.00 34.13 C ATOM 0 H VAL A 29 -3.332 7.018 9.108 1.00 10.13 H new ATOM 0 HA VAL A 29 -4.293 7.523 11.831 1.00 40.34 H new ATOM 0 HB VAL A 29 -6.458 7.216 11.075 1.00 22.30 H new ATOM 0 HG11 VAL A 29 -6.692 8.940 9.320 1.00 11.41 H new ATOM 0 HG12 VAL A 29 -5.559 9.406 10.611 1.00 11.41 H new ATOM 0 HG13 VAL A 29 -4.937 8.862 9.035 1.00 11.41 H new ATOM 0 HG21 VAL A 29 -7.161 6.557 8.868 1.00 34.13 H new ATOM 0 HG22 VAL A 29 -5.479 6.127 8.476 1.00 34.13 H new ATOM 0 HG23 VAL A 29 -6.335 5.272 9.781 1.00 34.13 H new ATOM 460 N MET A 30 -3.689 4.565 10.565 1.00 54.43 N ATOM 461 CA MET A 30 -3.392 3.227 11.071 1.00 13.44 C ATOM 462 C MET A 30 -2.423 3.274 12.236 1.00 13.02 C ATOM 463 O MET A 30 -2.537 2.498 13.184 1.00 75.10 O ATOM 464 CB MET A 30 -2.851 2.219 10.010 1.00 72.14 C ATOM 465 CG MET A 30 -1.494 2.545 9.352 1.00 13.32 C ATOM 466 SD MET A 30 -0.700 1.142 8.505 1.00 2.14 S ATOM 467 CE MET A 30 0.085 0.477 10.000 1.00 51.44 C ATOM 0 H MET A 30 -3.356 4.749 9.619 1.00 54.43 H new ATOM 0 HA MET A 30 -4.364 2.853 11.391 1.00 13.44 H new ATOM 0 HB2 MET A 30 -2.770 1.241 10.484 1.00 72.14 H new ATOM 0 HB3 MET A 30 -3.596 2.129 9.220 1.00 72.14 H new ATOM 0 HG2 MET A 30 -1.639 3.351 8.632 1.00 13.32 H new ATOM 0 HG3 MET A 30 -0.815 2.920 10.118 1.00 13.32 H new ATOM 0 HE1 MET A 30 0.167 -0.607 9.917 1.00 51.44 H new ATOM 0 HE2 MET A 30 1.080 0.908 10.111 1.00 51.44 H new ATOM 0 HE3 MET A 30 -0.519 0.729 10.871 1.00 51.44 H new ATOM 477 N GLN A 31 -1.471 4.243 12.226 1.00 53.11 N ATOM 478 CA GLN A 31 -0.521 4.400 13.301 1.00 3.50 C ATOM 479 C GLN A 31 -1.132 4.959 14.562 1.00 43.31 C ATOM 480 O GLN A 31 -0.642 4.747 15.669 1.00 72.51 O ATOM 481 CB GLN A 31 0.763 5.156 12.848 1.00 73.25 C ATOM 482 CG GLN A 31 0.709 6.637 12.442 1.00 52.32 C ATOM 483 CD GLN A 31 0.821 7.579 13.631 1.00 31.24 C ATOM 484 OE1 GLN A 31 1.875 7.731 14.252 1.00 64.32 O ATOM 485 NE2 GLN A 31 -0.328 8.220 13.952 1.00 1.04 N ATOM 0 H GLN A 31 -1.361 4.919 11.470 1.00 53.11 H new ATOM 0 HA GLN A 31 -0.199 3.394 13.570 1.00 3.50 H new ATOM 0 HB2 GLN A 31 1.485 5.074 13.661 1.00 73.25 H new ATOM 0 HB3 GLN A 31 1.174 4.608 12.000 1.00 73.25 H new ATOM 0 HG2 GLN A 31 1.517 6.846 11.741 1.00 52.32 H new ATOM 0 HG3 GLN A 31 -0.226 6.831 11.917 1.00 52.32 H new ATOM 0 HE21 GLN A 31 -1.173 8.058 13.404 1.00 1.04 H new ATOM 0 HE22 GLN A 31 -0.349 8.865 14.742 1.00 1.04 H new ATOM 494 N ASP A 32 -2.301 5.617 14.424 1.00 32.22 N ATOM 495 CA ASP A 32 -3.107 6.050 15.547 1.00 64.21 C ATOM 496 C ASP A 32 -3.612 4.901 16.407 1.00 5.03 C ATOM 497 O ASP A 32 -3.659 5.019 17.627 1.00 1.35 O ATOM 498 CB ASP A 32 -4.335 6.883 15.096 1.00 52.44 C ATOM 499 CG ASP A 32 -4.045 8.307 14.640 1.00 23.24 C ATOM 500 OD1 ASP A 32 -2.972 8.855 14.991 1.00 0.23 O ATOM 501 OD2 ASP A 32 -4.957 8.878 13.979 1.00 71.12 O ATOM 0 H ASP A 32 -2.701 5.857 13.517 1.00 32.22 H new ATOM 0 HA ASP A 32 -2.432 6.665 16.143 1.00 64.21 H new ATOM 0 HB2 ASP A 32 -4.828 6.355 14.280 1.00 52.44 H new ATOM 0 HB3 ASP A 32 -5.044 6.925 15.923 1.00 52.44 H new ATOM 506 N PHE A 33 -4.002 3.761 15.798 1.00 60.43 N ATOM 507 CA PHE A 33 -4.407 2.578 16.545 1.00 42.01 C ATOM 508 C PHE A 33 -3.321 2.003 17.429 1.00 13.14 C ATOM 509 O PHE A 33 -3.578 1.657 18.575 1.00 51.23 O ATOM 510 CB PHE A 33 -5.021 1.526 15.579 1.00 60.42 C ATOM 511 CG PHE A 33 -5.242 0.140 16.141 1.00 45.11 C ATOM 512 CD1 PHE A 33 -4.656 -0.964 15.494 1.00 73.10 C ATOM 513 CD2 PHE A 33 -5.925 -0.072 17.347 1.00 24.14 C ATOM 514 CE1 PHE A 33 -4.794 -2.255 16.018 1.00 15.23 C ATOM 515 CE2 PHE A 33 -6.096 -1.366 17.851 1.00 3.41 C ATOM 516 CZ PHE A 33 -5.530 -2.460 17.189 1.00 43.13 C ATOM 0 H PHE A 33 -4.041 3.647 14.785 1.00 60.43 H new ATOM 0 HA PHE A 33 -5.177 2.891 17.250 1.00 42.01 H new ATOM 0 HB2 PHE A 33 -5.979 1.907 15.225 1.00 60.42 H new ATOM 0 HB3 PHE A 33 -4.370 1.441 14.709 1.00 60.42 H new ATOM 0 HD1 PHE A 33 -4.094 -0.814 14.584 1.00 73.10 H new ATOM 0 HD2 PHE A 33 -6.323 0.771 17.892 1.00 24.14 H new ATOM 0 HE1 PHE A 33 -4.332 -3.093 15.517 1.00 15.23 H new ATOM 0 HE2 PHE A 33 -6.667 -1.520 18.755 1.00 3.41 H new ATOM 0 HZ PHE A 33 -5.661 -3.458 17.580 1.00 43.13 H new ATOM 526 N PHE A 34 -2.072 1.875 16.960 1.00 44.11 N ATOM 527 CA PHE A 34 -1.038 1.395 17.860 1.00 71.34 C ATOM 528 C PHE A 34 -0.616 2.364 18.949 1.00 31.35 C ATOM 529 O PHE A 34 -0.361 1.980 20.090 1.00 34.41 O ATOM 530 CB PHE A 34 0.187 0.876 17.095 1.00 34.32 C ATOM 531 CG PHE A 34 1.114 1.794 16.365 1.00 2.22 C ATOM 532 CD1 PHE A 34 2.222 2.318 17.049 1.00 14.23 C ATOM 533 CD2 PHE A 34 1.045 1.914 14.972 1.00 75.52 C ATOM 534 CE1 PHE A 34 3.271 2.923 16.348 1.00 34.13 C ATOM 535 CE2 PHE A 34 2.127 2.459 14.262 1.00 15.03 C ATOM 536 CZ PHE A 34 3.233 2.975 14.949 1.00 13.10 C ATOM 0 H PHE A 34 -1.771 2.087 16.009 1.00 44.11 H new ATOM 0 HA PHE A 34 -1.516 0.568 18.385 1.00 71.34 H new ATOM 0 HB2 PHE A 34 0.793 0.322 17.812 1.00 34.32 H new ATOM 0 HB3 PHE A 34 -0.181 0.155 16.365 1.00 34.32 H new ATOM 0 HD1 PHE A 34 2.265 2.254 18.126 1.00 14.23 H new ATOM 0 HD2 PHE A 34 0.161 1.588 14.444 1.00 75.52 H new ATOM 0 HE1 PHE A 34 4.107 3.348 16.884 1.00 34.13 H new ATOM 0 HE2 PHE A 34 2.106 2.480 13.182 1.00 15.03 H new ATOM 0 HZ PHE A 34 4.055 3.412 14.401 1.00 13.10 H new ATOM 546 N ASN A 35 -0.615 3.665 18.612 1.00 22.32 N ATOM 547 CA ASN A 35 -0.387 4.783 19.508 1.00 23.45 C ATOM 548 C ASN A 35 -1.453 4.945 20.581 1.00 43.33 C ATOM 549 O ASN A 35 -1.220 5.582 21.602 1.00 64.05 O ATOM 550 CB ASN A 35 -0.268 6.088 18.697 1.00 14.21 C ATOM 551 CG ASN A 35 1.077 6.161 17.973 1.00 54.00 C ATOM 552 OD1 ASN A 35 2.068 5.532 18.347 1.00 32.41 O ATOM 553 ND2 ASN A 35 1.108 7.005 16.912 1.00 12.33 N ATOM 0 H ASN A 35 -0.784 3.968 17.653 1.00 22.32 H new ATOM 0 HA ASN A 35 0.544 4.565 20.031 1.00 23.45 H new ATOM 0 HB2 ASN A 35 -1.079 6.145 17.971 1.00 14.21 H new ATOM 0 HB3 ASN A 35 -0.374 6.945 19.362 1.00 14.21 H new ATOM 0 HD21 ASN A 35 1.975 7.138 16.391 1.00 12.33 H new ATOM 0 HD22 ASN A 35 0.264 7.507 16.635 1.00 12.33 H new ATOM 560 N PHE A 36 -2.638 4.330 20.394 1.00 12.22 N ATOM 561 CA PHE A 36 -3.767 4.294 21.309 1.00 33.43 C ATOM 562 C PHE A 36 -3.369 3.709 22.651 1.00 54.03 C ATOM 563 O PHE A 36 -3.793 4.179 23.703 1.00 65.15 O ATOM 564 CB PHE A 36 -4.898 3.463 20.639 1.00 24.32 C ATOM 565 CG PHE A 36 -6.190 3.408 21.390 1.00 5.23 C ATOM 566 CD1 PHE A 36 -6.386 2.459 22.404 1.00 1.52 C ATOM 567 CD2 PHE A 36 -7.247 4.257 21.034 1.00 64.34 C ATOM 568 CE1 PHE A 36 -7.612 2.370 23.068 1.00 3.43 C ATOM 569 CE2 PHE A 36 -8.465 4.193 21.716 1.00 73.44 C ATOM 570 CZ PHE A 36 -8.645 3.241 22.720 1.00 3.23 C ATOM 0 H PHE A 36 -2.832 3.813 19.536 1.00 12.22 H new ATOM 0 HA PHE A 36 -4.119 5.306 21.508 1.00 33.43 H new ATOM 0 HB2 PHE A 36 -5.091 3.877 19.649 1.00 24.32 H new ATOM 0 HB3 PHE A 36 -4.539 2.444 20.494 1.00 24.32 H new ATOM 0 HD1 PHE A 36 -5.582 1.791 22.674 1.00 1.52 H new ATOM 0 HD2 PHE A 36 -7.119 4.965 20.228 1.00 64.34 H new ATOM 0 HE1 PHE A 36 -7.759 1.633 23.844 1.00 3.43 H new ATOM 0 HE2 PHE A 36 -9.263 4.877 21.467 1.00 73.44 H new ATOM 0 HZ PHE A 36 -9.593 3.178 23.233 1.00 3.23 H new ATOM 580 N TRP A 37 -2.541 2.646 22.629 1.00 1.04 N ATOM 581 CA TRP A 37 -2.167 1.895 23.807 1.00 35.11 C ATOM 582 C TRP A 37 -1.067 2.602 24.592 1.00 45.41 C ATOM 583 O TRP A 37 -0.730 2.194 25.703 1.00 51.23 O ATOM 584 CB TRP A 37 -1.690 0.482 23.396 1.00 11.14 C ATOM 585 CG TRP A 37 -2.711 -0.258 22.544 1.00 24.25 C ATOM 586 CD1 TRP A 37 -2.566 -0.569 21.220 1.00 0.14 C ATOM 587 CD2 TRP A 37 -4.089 -0.534 22.874 1.00 64.14 C ATOM 588 NE1 TRP A 37 -3.747 -1.050 20.704 1.00 55.31 N ATOM 589 CE2 TRP A 37 -4.700 -1.014 21.696 1.00 32.20 C ATOM 590 CE3 TRP A 37 -4.823 -0.386 24.053 1.00 11.44 C ATOM 591 CZ2 TRP A 37 -6.050 -1.326 21.672 1.00 51.32 C ATOM 592 CZ3 TRP A 37 -6.198 -0.675 24.013 1.00 34.00 C ATOM 593 CH2 TRP A 37 -6.811 -1.106 22.826 1.00 20.35 C ATOM 0 H TRP A 37 -2.116 2.293 21.772 1.00 1.04 H new ATOM 0 HA TRP A 37 -3.044 1.816 24.450 1.00 35.11 H new ATOM 0 HB2 TRP A 37 -0.754 0.565 22.844 1.00 11.14 H new ATOM 0 HB3 TRP A 37 -1.480 -0.101 24.293 1.00 11.14 H new ATOM 0 HD1 TRP A 37 -1.651 -0.453 20.658 1.00 0.14 H new ATOM 0 HE1 TRP A 37 -3.892 -1.378 19.749 1.00 55.31 H new ATOM 0 HE3 TRP A 37 -4.349 -0.060 24.967 1.00 11.44 H new ATOM 0 HZ2 TRP A 37 -6.506 -1.731 20.781 1.00 51.32 H new ATOM 0 HZ3 TRP A 37 -6.791 -0.564 24.908 1.00 34.00 H new ATOM 0 HH2 TRP A 37 -7.878 -1.269 22.803 1.00 20.35 H new ATOM 604 N LYS A 38 -0.469 3.687 24.032 1.00 11.53 N ATOM 605 CA LYS A 38 0.516 4.501 24.730 1.00 1.53 C ATOM 606 C LYS A 38 -0.088 5.232 25.927 1.00 11.43 C ATOM 607 O LYS A 38 -1.071 5.964 25.812 1.00 40.54 O ATOM 608 CB LYS A 38 1.147 5.562 23.788 1.00 43.20 C ATOM 609 CG LYS A 38 2.273 6.435 24.384 1.00 12.54 C ATOM 610 CD LYS A 38 3.542 5.670 24.812 1.00 21.25 C ATOM 611 CE LYS A 38 4.264 4.965 23.662 1.00 33.12 C ATOM 612 NZ LYS A 38 5.513 4.355 24.159 1.00 62.22 N ATOM 0 H LYS A 38 -0.668 4.007 23.084 1.00 11.53 H new ATOM 0 HA LYS A 38 1.282 3.807 25.078 1.00 1.53 H new ATOM 0 HB2 LYS A 38 1.542 5.048 22.912 1.00 43.20 H new ATOM 0 HB3 LYS A 38 0.353 6.222 23.438 1.00 43.20 H new ATOM 0 HG2 LYS A 38 2.554 7.189 23.649 1.00 12.54 H new ATOM 0 HG3 LYS A 38 1.879 6.966 25.251 1.00 12.54 H new ATOM 0 HD2 LYS A 38 4.232 6.368 25.286 1.00 21.25 H new ATOM 0 HD3 LYS A 38 3.271 4.930 25.565 1.00 21.25 H new ATOM 0 HE2 LYS A 38 3.620 4.199 23.231 1.00 33.12 H new ATOM 0 HE3 LYS A 38 4.487 5.678 22.868 1.00 33.12 H new ATOM 0 HZ1 LYS A 38 6.002 3.877 23.375 1.00 62.22 H new ATOM 0 HZ2 LYS A 38 6.129 5.096 24.551 1.00 62.22 H new ATOM 0 HZ3 LYS A 38 5.289 3.662 24.902 1.00 62.22 H new ATOM 626 N GLU A 39 0.519 5.090 27.128 1.00 25.21 N ATOM 627 CA GLU A 39 0.082 5.826 28.300 1.00 72.22 C ATOM 628 C GLU A 39 0.379 7.311 28.156 1.00 12.52 C ATOM 629 O GLU A 39 1.482 7.714 27.790 1.00 71.34 O ATOM 630 CB GLU A 39 0.744 5.283 29.596 1.00 23.00 C ATOM 631 CG GLU A 39 0.292 3.850 29.984 1.00 5.00 C ATOM 632 CD GLU A 39 -1.167 3.796 30.439 1.00 2.33 C ATOM 633 OE1 GLU A 39 -1.992 3.174 29.721 1.00 3.44 O ATOM 634 OE2 GLU A 39 -1.471 4.375 31.520 1.00 21.41 O ATOM 0 H GLU A 39 1.311 4.469 27.294 1.00 25.21 H new ATOM 0 HA GLU A 39 -0.996 5.686 28.379 1.00 72.22 H new ATOM 0 HB2 GLU A 39 1.827 5.289 29.469 1.00 23.00 H new ATOM 0 HB3 GLU A 39 0.516 5.960 30.419 1.00 23.00 H new ATOM 0 HG2 GLU A 39 0.427 3.187 29.130 1.00 5.00 H new ATOM 0 HG3 GLU A 39 0.932 3.475 30.783 1.00 5.00 H new ATOM 641 N GLY A 40 -0.632 8.164 28.435 1.00 20.34 N ATOM 642 CA GLY A 40 -0.532 9.603 28.241 1.00 2.22 C ATOM 643 C GLY A 40 -1.044 10.072 26.903 1.00 1.22 C ATOM 644 O GLY A 40 -1.159 11.274 26.684 1.00 12.41 O ATOM 0 H GLY A 40 -1.535 7.861 28.800 1.00 20.34 H new ATOM 0 HA2 GLY A 40 -1.090 10.107 29.030 1.00 2.22 H new ATOM 0 HA3 GLY A 40 0.511 9.903 28.347 1.00 2.22 H new ATOM 648 N TYR A 41 -1.377 9.156 25.965 1.00 25.13 N ATOM 649 CA TYR A 41 -1.959 9.519 24.690 1.00 11.22 C ATOM 650 C TYR A 41 -3.459 9.407 24.687 1.00 3.44 C ATOM 651 O TYR A 41 -4.056 8.454 25.183 1.00 50.21 O ATOM 652 CB TYR A 41 -1.402 8.688 23.508 1.00 23.33 C ATOM 653 CG TYR A 41 -0.026 9.096 23.024 1.00 64.02 C ATOM 654 CD1 TYR A 41 0.342 8.599 21.767 1.00 51.14 C ATOM 655 CD2 TYR A 41 0.870 9.957 23.691 1.00 23.13 C ATOM 656 CE1 TYR A 41 1.570 8.926 21.183 1.00 74.41 C ATOM 657 CE2 TYR A 41 2.109 10.284 23.115 1.00 13.11 C ATOM 658 CZ TYR A 41 2.459 9.766 21.862 1.00 23.04 C ATOM 659 OH TYR A 41 3.696 10.099 21.272 1.00 65.42 O ATOM 0 H TYR A 41 -1.243 8.152 26.088 1.00 25.13 H new ATOM 0 HA TYR A 41 -1.674 10.562 24.550 1.00 11.22 H new ATOM 0 HB2 TYR A 41 -1.369 7.640 23.806 1.00 23.33 H new ATOM 0 HB3 TYR A 41 -2.099 8.761 22.673 1.00 23.33 H new ATOM 0 HD1 TYR A 41 -0.338 7.949 21.237 1.00 51.14 H new ATOM 0 HD2 TYR A 41 0.601 10.368 24.653 1.00 23.13 H new ATOM 0 HE1 TYR A 41 1.831 8.532 20.212 1.00 74.41 H new ATOM 0 HE2 TYR A 41 2.792 10.936 23.639 1.00 13.11 H new ATOM 0 HH TYR A 41 4.196 10.691 21.872 1.00 65.42 H new ATOM 669 N GLN A 42 -4.103 10.416 24.068 1.00 22.35 N ATOM 670 CA GLN A 42 -5.487 10.362 23.721 1.00 24.24 C ATOM 671 C GLN A 42 -5.585 10.303 22.209 1.00 32.12 C ATOM 672 O GLN A 42 -5.074 11.146 21.473 1.00 15.04 O ATOM 673 CB GLN A 42 -6.292 11.535 24.331 1.00 73.32 C ATOM 674 CG GLN A 42 -5.971 12.949 23.822 1.00 45.03 C ATOM 675 CD GLN A 42 -4.696 13.554 24.412 1.00 12.31 C ATOM 676 OE1 GLN A 42 -4.675 14.008 25.558 1.00 33.51 O ATOM 677 NE2 GLN A 42 -3.602 13.571 23.604 1.00 63.55 N ATOM 0 H GLN A 42 -3.648 11.290 23.803 1.00 22.35 H new ATOM 0 HA GLN A 42 -5.942 9.467 24.147 1.00 24.24 H new ATOM 0 HB2 GLN A 42 -7.351 11.345 24.155 1.00 73.32 H new ATOM 0 HB3 GLN A 42 -6.141 11.523 25.410 1.00 73.32 H new ATOM 0 HG2 GLN A 42 -5.877 12.919 22.736 1.00 45.03 H new ATOM 0 HG3 GLN A 42 -6.811 13.605 24.052 1.00 45.03 H new ATOM 0 HE21 GLN A 42 -3.658 13.186 22.661 1.00 63.55 H new ATOM 0 HE22 GLN A 42 -2.725 13.969 23.941 1.00 63.55 H new ATOM 686 N ILE A 43 -6.253 9.251 21.716 1.00 22.01 N ATOM 687 CA ILE A 43 -6.669 9.101 20.340 1.00 32.44 C ATOM 688 C ILE A 43 -8.159 9.377 20.270 1.00 11.54 C ATOM 689 O ILE A 43 -8.962 8.757 20.964 1.00 44.42 O ATOM 690 CB ILE A 43 -6.380 7.708 19.849 1.00 15.32 C ATOM 691 CG1 ILE A 43 -4.875 7.372 19.946 1.00 3.44 C ATOM 692 CG2 ILE A 43 -6.919 7.471 18.419 1.00 62.43 C ATOM 693 CD1 ILE A 43 -3.921 8.170 19.048 1.00 15.35 C ATOM 0 H ILE A 43 -6.522 8.458 22.298 1.00 22.01 H new ATOM 0 HA ILE A 43 -6.121 9.799 19.707 1.00 32.44 H new ATOM 0 HB ILE A 43 -6.914 7.024 20.509 1.00 15.32 H new ATOM 0 HG12 ILE A 43 -4.563 7.513 20.981 1.00 3.44 H new ATOM 0 HG13 ILE A 43 -4.749 6.314 19.717 1.00 3.44 H new ATOM 0 HG21 ILE A 43 -6.687 6.453 18.107 1.00 62.43 H new ATOM 0 HG22 ILE A 43 -7.999 7.617 18.408 1.00 62.43 H new ATOM 0 HG23 ILE A 43 -6.451 8.176 17.732 1.00 62.43 H new ATOM 0 HD11 ILE A 43 -2.898 7.834 19.216 1.00 15.35 H new ATOM 0 HD12 ILE A 43 -4.188 8.013 18.003 1.00 15.35 H new ATOM 0 HD13 ILE A 43 -3.999 9.231 19.287 1.00 15.35 H new ATOM 705 N THR A 44 -8.550 10.349 19.424 1.00 13.40 N ATOM 706 CA THR A 44 -9.916 10.850 19.314 1.00 23.52 C ATOM 707 C THR A 44 -10.406 10.787 17.881 1.00 54.20 C ATOM 708 O THR A 44 -11.501 11.246 17.563 1.00 54.13 O ATOM 709 CB THR A 44 -10.060 12.277 19.845 1.00 41.30 C ATOM 710 OG1 THR A 44 -9.208 13.194 19.163 1.00 24.40 O ATOM 711 CG2 THR A 44 -9.707 12.323 21.345 1.00 42.53 C ATOM 0 H THR A 44 -7.903 10.813 18.787 1.00 13.40 H new ATOM 0 HA THR A 44 -10.532 10.199 19.935 1.00 23.52 H new ATOM 0 HB THR A 44 -11.097 12.570 19.679 1.00 41.30 H new ATOM 0 HG1 THR A 44 -9.333 14.093 19.532 1.00 24.40 H new ATOM 0 HG21 THR A 44 -9.813 13.344 21.713 1.00 42.53 H new ATOM 0 HG22 THR A 44 -10.380 11.667 21.897 1.00 42.53 H new ATOM 0 HG23 THR A 44 -8.679 11.991 21.487 1.00 42.53 H new ATOM 719 N ASN A 45 -9.584 10.232 16.965 1.00 32.12 N ATOM 720 CA ASN A 45 -9.752 10.352 15.539 1.00 42.42 C ATOM 721 C ASN A 45 -10.650 9.268 14.984 1.00 2.01 C ATOM 722 O ASN A 45 -10.458 8.085 15.246 1.00 45.54 O ATOM 723 CB ASN A 45 -8.360 10.338 14.862 1.00 23.24 C ATOM 724 CG ASN A 45 -8.459 10.705 13.383 1.00 5.21 C ATOM 725 OD1 ASN A 45 -9.306 11.500 12.974 1.00 43.22 O ATOM 726 ND2 ASN A 45 -7.588 10.077 12.560 1.00 22.55 N ATOM 0 H ASN A 45 -8.769 9.677 17.226 1.00 32.12 H new ATOM 0 HA ASN A 45 -10.246 11.299 15.322 1.00 42.42 H new ATOM 0 HB2 ASN A 45 -7.699 11.040 15.370 1.00 23.24 H new ATOM 0 HB3 ASN A 45 -7.913 9.349 14.964 1.00 23.24 H new ATOM 0 HD21 ASN A 45 -7.616 10.255 11.556 1.00 22.55 H new ATOM 0 HD22 ASN A 45 -6.903 9.426 12.944 1.00 22.55 H new ATOM 733 N ARG A 46 -11.620 9.662 14.133 1.00 51.41 N ATOM 734 CA ARG A 46 -12.679 8.832 13.588 1.00 53.42 C ATOM 735 C ARG A 46 -12.168 7.648 12.785 1.00 54.14 C ATOM 736 O ARG A 46 -12.725 6.554 12.829 1.00 11.21 O ATOM 737 CB ARG A 46 -13.604 9.729 12.729 1.00 32.30 C ATOM 738 CG ARG A 46 -12.915 10.358 11.501 1.00 73.21 C ATOM 739 CD ARG A 46 -13.768 11.454 10.857 1.00 63.11 C ATOM 740 NE ARG A 46 -12.983 12.056 9.731 1.00 72.30 N ATOM 741 CZ ARG A 46 -13.414 13.163 9.055 1.00 24.15 C ATOM 742 NH1 ARG A 46 -14.613 13.732 9.367 1.00 41.41 N ATOM 743 NH2 ARG A 46 -12.631 13.693 8.072 1.00 35.00 N ATOM 0 H ARG A 46 -11.675 10.624 13.798 1.00 51.41 H new ATOM 0 HA ARG A 46 -13.230 8.395 14.421 1.00 53.42 H new ATOM 0 HB2 ARG A 46 -14.454 9.136 12.390 1.00 32.30 H new ATOM 0 HB3 ARG A 46 -14.002 10.527 13.356 1.00 32.30 H new ATOM 0 HG2 ARG A 46 -11.954 10.777 11.801 1.00 73.21 H new ATOM 0 HG3 ARG A 46 -12.709 9.581 10.765 1.00 73.21 H new ATOM 0 HD2 ARG A 46 -14.705 11.038 10.487 1.00 63.11 H new ATOM 0 HD3 ARG A 46 -14.025 12.217 11.592 1.00 63.11 H new ATOM 0 HE ARG A 46 -12.099 11.626 9.460 1.00 72.30 H new ATOM 0 HH11 ARG A 46 -15.191 13.332 10.106 1.00 41.41 H new ATOM 0 HH12 ARG A 46 -14.932 14.558 8.861 1.00 41.41 H new ATOM 0 HH21 ARG A 46 -11.734 13.263 7.848 1.00 35.00 H new ATOM 0 HH22 ARG A 46 -12.943 14.519 7.561 1.00 35.00 H new ATOM 757 N GLU A 47 -11.024 7.830 12.096 1.00 55.42 N ATOM 758 CA GLU A 47 -10.272 6.789 11.451 1.00 64.42 C ATOM 759 C GLU A 47 -9.696 5.736 12.342 1.00 3.04 C ATOM 760 O GLU A 47 -9.587 4.591 11.912 1.00 61.41 O ATOM 761 CB GLU A 47 -9.151 7.362 10.576 1.00 23.30 C ATOM 762 CG GLU A 47 -9.625 7.836 9.188 1.00 33.21 C ATOM 763 CD GLU A 47 -8.796 8.929 8.523 1.00 53.41 C ATOM 764 OE1 GLU A 47 -8.621 10.002 9.159 1.00 12.12 O ATOM 765 OE2 GLU A 47 -8.354 8.709 7.367 1.00 44.51 O ATOM 0 H GLU A 47 -10.600 8.751 11.982 1.00 55.42 H new ATOM 0 HA GLU A 47 -11.028 6.287 10.847 1.00 64.42 H new ATOM 0 HB2 GLU A 47 -8.688 8.200 11.097 1.00 23.30 H new ATOM 0 HB3 GLU A 47 -8.380 6.603 10.446 1.00 23.30 H new ATOM 0 HG2 GLU A 47 -9.649 6.973 8.522 1.00 33.21 H new ATOM 0 HG3 GLU A 47 -10.650 8.195 9.282 1.00 33.21 H new ATOM 772 N ALA A 48 -9.323 6.076 13.595 1.00 43.12 N ATOM 773 CA ALA A 48 -8.781 5.081 14.520 1.00 13.32 C ATOM 774 C ALA A 48 -9.772 3.952 14.736 1.00 11.32 C ATOM 775 O ALA A 48 -9.433 2.779 14.692 1.00 2.31 O ATOM 776 CB ALA A 48 -8.429 5.674 15.908 1.00 11.43 C ATOM 0 H ALA A 48 -9.389 7.020 13.977 1.00 43.12 H new ATOM 0 HA ALA A 48 -7.866 4.715 14.054 1.00 13.32 H new ATOM 0 HB1 ALA A 48 -8.032 4.887 16.550 1.00 11.43 H new ATOM 0 HB2 ALA A 48 -7.681 6.458 15.790 1.00 11.43 H new ATOM 0 HB3 ALA A 48 -9.326 6.094 16.362 1.00 11.43 H new ATOM 782 N GLY A 49 -11.063 4.295 14.870 1.00 14.24 N ATOM 783 CA GLY A 49 -12.151 3.347 15.004 1.00 14.41 C ATOM 784 C GLY A 49 -12.339 2.469 13.813 1.00 65.45 C ATOM 785 O GLY A 49 -12.595 1.275 13.944 1.00 75.11 O ATOM 0 H GLY A 49 -11.374 5.266 14.887 1.00 14.24 H new ATOM 0 HA2 GLY A 49 -11.970 2.722 15.879 1.00 14.41 H new ATOM 0 HA3 GLY A 49 -13.075 3.894 15.189 1.00 14.41 H new ATOM 789 N CYS A 50 -12.216 3.066 12.609 1.00 40.32 N ATOM 790 CA CYS A 50 -12.385 2.402 11.335 1.00 54.41 C ATOM 791 C CYS A 50 -11.330 1.339 11.127 1.00 30.34 C ATOM 792 O CYS A 50 -11.633 0.244 10.661 1.00 72.42 O ATOM 793 CB CYS A 50 -12.337 3.404 10.152 1.00 63.22 C ATOM 794 SG CYS A 50 -13.722 4.597 10.102 1.00 31.25 S ATOM 0 H CYS A 50 -11.989 4.056 12.513 1.00 40.32 H new ATOM 0 HA CYS A 50 -13.369 1.934 11.358 1.00 54.41 H new ATOM 0 HB2 CYS A 50 -11.400 3.958 10.201 1.00 63.22 H new ATOM 0 HB3 CYS A 50 -12.326 2.842 9.218 1.00 63.22 H new ATOM 799 N VAL A 51 -10.056 1.616 11.493 1.00 30.45 N ATOM 800 CA VAL A 51 -9.026 0.588 11.482 1.00 12.01 C ATOM 801 C VAL A 51 -9.249 -0.457 12.558 1.00 54.33 C ATOM 802 O VAL A 51 -9.098 -1.645 12.324 1.00 41.13 O ATOM 803 CB VAL A 51 -7.601 1.173 11.488 1.00 21.10 C ATOM 804 CG1 VAL A 51 -7.296 2.158 12.629 1.00 42.11 C ATOM 805 CG2 VAL A 51 -6.561 0.047 11.649 1.00 72.53 C ATOM 0 H VAL A 51 -9.734 2.536 11.794 1.00 30.45 H new ATOM 0 HA VAL A 51 -9.119 0.064 10.531 1.00 12.01 H new ATOM 0 HB VAL A 51 -7.542 1.703 10.537 1.00 21.10 H new ATOM 0 HG11 VAL A 51 -6.268 2.510 12.541 1.00 42.11 H new ATOM 0 HG12 VAL A 51 -7.977 3.007 12.568 1.00 42.11 H new ATOM 0 HG13 VAL A 51 -7.426 1.656 13.588 1.00 42.11 H new ATOM 0 HG21 VAL A 51 -5.559 0.475 11.652 1.00 72.53 H new ATOM 0 HG22 VAL A 51 -6.734 -0.477 12.589 1.00 72.53 H new ATOM 0 HG23 VAL A 51 -6.654 -0.655 10.820 1.00 72.53 H new ATOM 815 N ILE A 52 -9.689 -0.076 13.765 1.00 10.22 N ATOM 816 CA ILE A 52 -9.874 -1.011 14.878 1.00 0.13 C ATOM 817 C ILE A 52 -10.872 -2.111 14.578 1.00 21.32 C ATOM 818 O ILE A 52 -10.613 -3.294 14.804 1.00 54.32 O ATOM 819 CB ILE A 52 -10.273 -0.242 16.137 1.00 30.51 C ATOM 820 CG1 ILE A 52 -9.048 0.534 16.654 1.00 2.10 C ATOM 821 CG2 ILE A 52 -10.905 -1.162 17.207 1.00 65.23 C ATOM 822 CD1 ILE A 52 -9.249 1.749 17.579 1.00 62.42 C ATOM 0 H ILE A 52 -9.926 0.889 13.995 1.00 10.22 H new ATOM 0 HA ILE A 52 -8.919 -1.511 15.039 1.00 0.13 H new ATOM 0 HB ILE A 52 -11.056 0.476 15.891 1.00 30.51 H new ATOM 0 HG12 ILE A 52 -8.412 -0.176 17.183 1.00 2.10 H new ATOM 0 HG13 ILE A 52 -8.488 0.876 15.784 1.00 2.10 H new ATOM 0 HG21 ILE A 52 -11.172 -0.571 18.083 1.00 65.23 H new ATOM 0 HG22 ILE A 52 -11.800 -1.632 16.800 1.00 65.23 H new ATOM 0 HG23 ILE A 52 -10.189 -1.932 17.494 1.00 65.23 H new ATOM 0 HD11 ILE A 52 -8.279 2.170 17.843 1.00 62.42 H new ATOM 0 HD12 ILE A 52 -9.844 2.503 17.064 1.00 62.42 H new ATOM 0 HD13 ILE A 52 -9.767 1.435 18.485 1.00 62.42 H new ATOM 834 N LEU A 53 -12.031 -1.740 14.012 1.00 65.21 N ATOM 835 CA LEU A 53 -13.077 -2.667 13.656 1.00 10.24 C ATOM 836 C LEU A 53 -12.735 -3.619 12.534 1.00 72.10 C ATOM 837 O LEU A 53 -13.207 -4.752 12.463 1.00 24.41 O ATOM 838 CB LEU A 53 -14.364 -1.847 13.430 1.00 4.14 C ATOM 839 CG LEU A 53 -14.473 -0.845 12.262 1.00 74.41 C ATOM 840 CD1 LEU A 53 -14.461 -1.481 10.868 1.00 32.31 C ATOM 841 CD2 LEU A 53 -15.777 -0.052 12.450 1.00 63.23 C ATOM 0 H LEU A 53 -12.256 -0.770 13.792 1.00 65.21 H new ATOM 0 HA LEU A 53 -13.228 -3.365 14.480 1.00 10.24 H new ATOM 0 HB2 LEU A 53 -15.181 -2.560 13.316 1.00 4.14 H new ATOM 0 HB3 LEU A 53 -14.553 -1.290 14.347 1.00 4.14 H new ATOM 0 HG LEU A 53 -13.586 -0.212 12.297 1.00 74.41 H new ATOM 0 HD11 LEU A 53 -14.542 -0.701 10.111 1.00 32.31 H new ATOM 0 HD12 LEU A 53 -13.530 -2.029 10.726 1.00 32.31 H new ATOM 0 HD13 LEU A 53 -15.303 -2.167 10.774 1.00 32.31 H new ATOM 0 HD21 LEU A 53 -15.885 0.668 11.639 1.00 63.23 H new ATOM 0 HD22 LEU A 53 -16.624 -0.738 12.442 1.00 63.23 H new ATOM 0 HD23 LEU A 53 -15.747 0.477 13.403 1.00 63.23 H new ATOM 853 N CYS A 54 -11.859 -3.154 11.642 1.00 12.42 N ATOM 854 CA CYS A 54 -11.230 -3.866 10.576 1.00 5.20 C ATOM 855 C CYS A 54 -10.276 -4.959 11.022 1.00 22.32 C ATOM 856 O CYS A 54 -10.306 -6.038 10.441 1.00 21.14 O ATOM 857 CB CYS A 54 -10.590 -2.802 9.719 1.00 13.43 C ATOM 858 SG CYS A 54 -9.624 -3.330 8.312 1.00 53.31 S ATOM 0 H CYS A 54 -11.558 -2.180 11.667 1.00 12.42 H new ATOM 0 HA CYS A 54 -11.962 -4.444 10.012 1.00 5.20 H new ATOM 0 HB2 CYS A 54 -11.381 -2.146 9.354 1.00 13.43 H new ATOM 0 HB3 CYS A 54 -9.946 -2.199 10.360 1.00 13.43 H new ATOM 863 N LEU A 55 -9.404 -4.800 12.066 1.00 21.12 N ATOM 864 CA LEU A 55 -8.641 -5.931 12.536 1.00 60.25 C ATOM 865 C LEU A 55 -9.503 -7.045 13.026 1.00 62.12 C ATOM 866 O LEU A 55 -9.255 -8.196 12.708 1.00 41.32 O ATOM 867 CB LEU A 55 -7.735 -5.438 13.633 1.00 73.44 C ATOM 868 CG LEU A 55 -6.537 -4.643 13.093 1.00 32.41 C ATOM 869 CD1 LEU A 55 -5.526 -5.567 12.412 1.00 65.14 C ATOM 870 CD2 LEU A 55 -6.728 -3.373 12.273 1.00 43.23 C ATOM 0 H LEU A 55 -9.237 -3.924 12.561 1.00 21.12 H new ATOM 0 HA LEU A 55 -8.068 -6.344 11.706 1.00 60.25 H new ATOM 0 HB2 LEU A 55 -8.306 -4.809 14.316 1.00 73.44 H new ATOM 0 HB3 LEU A 55 -7.372 -6.289 14.210 1.00 73.44 H new ATOM 0 HG LEU A 55 -6.175 -4.216 14.028 1.00 32.41 H new ATOM 0 HD11 LEU A 55 -4.688 -4.978 12.039 1.00 65.14 H new ATOM 0 HD12 LEU A 55 -5.162 -6.301 13.131 1.00 65.14 H new ATOM 0 HD13 LEU A 55 -6.006 -6.082 11.580 1.00 65.14 H new ATOM 0 HD21 LEU A 55 -5.754 -2.971 11.993 1.00 43.23 H new ATOM 0 HD22 LEU A 55 -7.298 -3.603 11.373 1.00 43.23 H new ATOM 0 HD23 LEU A 55 -7.268 -2.635 12.866 1.00 43.23 H new ATOM 882 N ALA A 56 -10.596 -6.706 13.711 1.00 24.34 N ATOM 883 CA ALA A 56 -11.553 -7.616 14.269 1.00 12.21 C ATOM 884 C ALA A 56 -12.161 -8.576 13.271 1.00 31.22 C ATOM 885 O ALA A 56 -12.383 -9.748 13.570 1.00 34.41 O ATOM 886 CB ALA A 56 -12.616 -6.747 14.940 1.00 63.15 C ATOM 0 H ALA A 56 -10.835 -5.731 13.892 1.00 24.34 H new ATOM 0 HA ALA A 56 -11.053 -8.277 14.978 1.00 12.21 H new ATOM 0 HB1 ALA A 56 -13.378 -7.385 15.387 1.00 63.15 H new ATOM 0 HB2 ALA A 56 -12.152 -6.138 15.716 1.00 63.15 H new ATOM 0 HB3 ALA A 56 -13.077 -6.097 14.196 1.00 63.15 H new ATOM 892 N LYS A 57 -12.415 -8.104 12.036 1.00 62.32 N ATOM 893 CA LYS A 57 -12.907 -8.962 10.982 1.00 14.31 C ATOM 894 C LYS A 57 -11.783 -9.761 10.307 1.00 12.00 C ATOM 895 O LYS A 57 -12.028 -10.768 9.645 1.00 70.32 O ATOM 896 CB LYS A 57 -13.724 -8.127 9.948 1.00 74.22 C ATOM 897 CG LYS A 57 -12.977 -7.243 8.940 1.00 12.24 C ATOM 898 CD LYS A 57 -13.958 -6.424 8.080 1.00 24.04 C ATOM 899 CE LYS A 57 -13.295 -5.520 7.040 1.00 53.42 C ATOM 900 NZ LYS A 57 -12.704 -6.338 5.966 1.00 41.02 N ATOM 0 H LYS A 57 -12.282 -7.131 11.760 1.00 62.32 H new ATOM 0 HA LYS A 57 -13.571 -9.699 11.434 1.00 14.31 H new ATOM 0 HB2 LYS A 57 -14.341 -8.823 9.380 1.00 74.22 H new ATOM 0 HB3 LYS A 57 -14.402 -7.484 10.509 1.00 74.22 H new ATOM 0 HG2 LYS A 57 -12.306 -6.569 9.472 1.00 12.24 H new ATOM 0 HG3 LYS A 57 -12.358 -7.866 8.295 1.00 12.24 H new ATOM 0 HD2 LYS A 57 -14.632 -7.111 7.568 1.00 24.04 H new ATOM 0 HD3 LYS A 57 -14.571 -5.809 8.739 1.00 24.04 H new ATOM 0 HE2 LYS A 57 -14.030 -4.832 6.622 1.00 53.42 H new ATOM 0 HE3 LYS A 57 -12.523 -4.913 7.513 1.00 53.42 H new ATOM 0 HZ1 LYS A 57 -12.270 -5.716 5.255 1.00 41.02 H new ATOM 0 HZ2 LYS A 57 -11.977 -6.965 6.367 1.00 41.02 H new ATOM 0 HZ3 LYS A 57 -13.447 -6.911 5.518 1.00 41.02 H new ATOM 914 N LYS A 58 -10.503 -9.342 10.476 1.00 34.14 N ATOM 915 CA LYS A 58 -9.336 -9.877 9.803 1.00 1.21 C ATOM 916 C LYS A 58 -8.427 -10.681 10.735 1.00 0.13 C ATOM 917 O LYS A 58 -7.216 -10.751 10.563 1.00 61.13 O ATOM 918 CB LYS A 58 -8.524 -8.731 9.156 1.00 53.33 C ATOM 919 CG LYS A 58 -9.205 -8.008 7.987 1.00 52.50 C ATOM 920 CD LYS A 58 -8.268 -6.954 7.369 1.00 31.31 C ATOM 921 CE LYS A 58 -8.781 -6.321 6.075 1.00 25.31 C ATOM 922 NZ LYS A 58 -8.808 -7.316 4.983 1.00 72.33 N ATOM 0 H LYS A 58 -10.267 -8.586 11.119 1.00 34.14 H new ATOM 0 HA LYS A 58 -9.703 -10.560 9.037 1.00 1.21 H new ATOM 0 HB2 LYS A 58 -8.291 -7.996 9.927 1.00 53.33 H new ATOM 0 HB3 LYS A 58 -7.575 -9.137 8.805 1.00 53.33 H new ATOM 0 HG2 LYS A 58 -9.495 -8.733 7.226 1.00 52.50 H new ATOM 0 HG3 LYS A 58 -10.119 -7.528 8.335 1.00 52.50 H new ATOM 0 HD2 LYS A 58 -8.099 -6.164 8.101 1.00 31.31 H new ATOM 0 HD3 LYS A 58 -7.302 -7.418 7.172 1.00 31.31 H new ATOM 0 HE2 LYS A 58 -9.782 -5.919 6.233 1.00 25.31 H new ATOM 0 HE3 LYS A 58 -8.142 -5.484 5.795 1.00 25.31 H new ATOM 0 HZ1 LYS A 58 -9.078 -6.849 4.094 1.00 72.33 H new ATOM 0 HZ2 LYS A 58 -7.865 -7.742 4.878 1.00 72.33 H new ATOM 0 HZ3 LYS A 58 -9.500 -8.059 5.207 1.00 72.33 H new ATOM 936 N LEU A 59 -8.987 -11.349 11.760 1.00 73.11 N ATOM 937 CA LEU A 59 -8.230 -12.102 12.767 1.00 24.32 C ATOM 938 C LEU A 59 -7.862 -13.452 12.243 1.00 63.13 C ATOM 939 O LEU A 59 -6.903 -14.092 12.635 1.00 70.44 O ATOM 940 CB LEU A 59 -8.979 -12.374 14.080 1.00 2.40 C ATOM 941 CG LEU A 59 -9.389 -11.093 14.807 1.00 12.33 C ATOM 942 CD1 LEU A 59 -10.163 -11.442 16.083 1.00 23.14 C ATOM 943 CD2 LEU A 59 -8.355 -9.982 14.951 1.00 43.52 C ATOM 0 H LEU A 59 -9.995 -11.379 11.911 1.00 73.11 H new ATOM 0 HA LEU A 59 -7.374 -11.460 12.973 1.00 24.32 H new ATOM 0 HB2 LEU A 59 -9.869 -12.967 13.869 1.00 2.40 H new ATOM 0 HB3 LEU A 59 -8.346 -12.972 14.736 1.00 2.40 H new ATOM 0 HG LEU A 59 -10.061 -10.580 14.119 1.00 12.33 H new ATOM 0 HD11 LEU A 59 -10.452 -10.525 16.596 1.00 23.14 H new ATOM 0 HD12 LEU A 59 -11.057 -12.009 15.823 1.00 23.14 H new ATOM 0 HD13 LEU A 59 -9.532 -12.041 16.739 1.00 23.14 H new ATOM 0 HD21 LEU A 59 -8.796 -9.142 15.488 1.00 43.52 H new ATOM 0 HD22 LEU A 59 -7.494 -10.356 15.506 1.00 43.52 H new ATOM 0 HD23 LEU A 59 -8.035 -9.653 13.963 1.00 43.52 H new ATOM 955 N GLU A 60 -8.652 -13.903 11.280 1.00 25.11 N ATOM 956 CA GLU A 60 -8.436 -15.120 10.517 1.00 40.11 C ATOM 957 C GLU A 60 -7.172 -15.072 9.665 1.00 1.05 C ATOM 958 O GLU A 60 -6.679 -16.089 9.189 1.00 73.22 O ATOM 959 CB GLU A 60 -9.694 -15.459 9.678 1.00 5.01 C ATOM 960 CG GLU A 60 -10.089 -14.464 8.560 1.00 62.22 C ATOM 961 CD GLU A 60 -11.406 -14.879 7.895 1.00 25.52 C ATOM 962 OE1 GLU A 60 -12.420 -15.002 8.638 1.00 61.42 O ATOM 963 OE2 GLU A 60 -11.406 -15.073 6.653 1.00 5.41 O ATOM 0 H GLU A 60 -9.498 -13.408 10.998 1.00 25.11 H new ATOM 0 HA GLU A 60 -8.273 -15.928 11.231 1.00 40.11 H new ATOM 0 HB2 GLU A 60 -9.542 -16.437 9.221 1.00 5.01 H new ATOM 0 HB3 GLU A 60 -10.539 -15.554 10.360 1.00 5.01 H new ATOM 0 HG2 GLU A 60 -10.189 -13.462 8.978 1.00 62.22 H new ATOM 0 HG3 GLU A 60 -9.298 -14.420 7.812 1.00 62.22 H new ATOM 970 N LEU A 61 -6.626 -13.850 9.481 1.00 62.23 N ATOM 971 CA LEU A 61 -5.329 -13.556 8.893 1.00 1.40 C ATOM 972 C LEU A 61 -4.180 -13.945 9.819 1.00 53.45 C ATOM 973 O LEU A 61 -3.057 -14.188 9.381 1.00 12.53 O ATOM 974 CB LEU A 61 -5.135 -12.071 8.532 1.00 52.11 C ATOM 975 CG LEU A 61 -6.117 -11.427 7.531 1.00 3.30 C ATOM 976 CD1 LEU A 61 -5.378 -10.526 6.539 1.00 1.20 C ATOM 977 CD2 LEU A 61 -7.334 -12.213 7.002 1.00 13.23 C ATOM 0 H LEU A 61 -7.119 -13.002 9.760 1.00 62.23 H new ATOM 0 HA LEU A 61 -5.314 -14.152 7.980 1.00 1.40 H new ATOM 0 HB2 LEU A 61 -5.178 -11.496 9.457 1.00 52.11 H new ATOM 0 HB3 LEU A 61 -4.128 -11.955 8.131 1.00 52.11 H new ATOM 0 HG LEU A 61 -6.734 -10.795 8.171 1.00 3.30 H new ATOM 0 HD11 LEU A 61 -6.094 -10.085 5.845 1.00 1.20 H new ATOM 0 HD12 LEU A 61 -4.863 -9.733 7.081 1.00 1.20 H new ATOM 0 HD13 LEU A 61 -4.650 -11.117 5.983 1.00 1.20 H new ATOM 0 HD21 LEU A 61 -7.899 -11.587 6.311 1.00 13.23 H new ATOM 0 HD22 LEU A 61 -6.991 -13.108 6.483 1.00 13.23 H new ATOM 0 HD23 LEU A 61 -7.973 -12.500 7.837 1.00 13.23 H new ATOM 989 N LEU A 62 -4.450 -13.951 11.140 1.00 43.22 N ATOM 990 CA LEU A 62 -3.498 -14.152 12.220 1.00 53.32 C ATOM 991 C LEU A 62 -3.088 -15.610 12.316 1.00 10.33 C ATOM 992 O LEU A 62 -3.719 -16.515 11.773 1.00 72.42 O ATOM 993 CB LEU A 62 -4.075 -13.713 13.597 1.00 35.25 C ATOM 994 CG LEU A 62 -4.512 -12.233 13.606 1.00 4.41 C ATOM 995 CD1 LEU A 62 -5.308 -11.818 14.856 1.00 11.12 C ATOM 996 CD2 LEU A 62 -3.336 -11.270 13.393 1.00 64.34 C ATOM 0 H LEU A 62 -5.398 -13.806 11.488 1.00 43.22 H new ATOM 0 HA LEU A 62 -2.632 -13.533 11.985 1.00 53.32 H new ATOM 0 HB2 LEU A 62 -4.929 -14.343 13.848 1.00 35.25 H new ATOM 0 HB3 LEU A 62 -3.323 -13.872 14.370 1.00 35.25 H new ATOM 0 HG LEU A 62 -5.190 -12.154 12.756 1.00 4.41 H new ATOM 0 HD11 LEU A 62 -5.576 -10.764 14.783 1.00 11.12 H new ATOM 0 HD12 LEU A 62 -6.214 -12.419 14.926 1.00 11.12 H new ATOM 0 HD13 LEU A 62 -4.698 -11.976 15.745 1.00 11.12 H new ATOM 0 HD21 LEU A 62 -3.700 -10.243 13.408 1.00 64.34 H new ATOM 0 HD22 LEU A 62 -2.604 -11.408 14.189 1.00 64.34 H new ATOM 0 HD23 LEU A 62 -2.868 -11.475 12.430 1.00 64.34 H new ATOM 1008 N ASP A 63 -1.951 -15.876 12.990 1.00 15.25 N ATOM 1009 CA ASP A 63 -1.376 -17.205 13.009 1.00 50.55 C ATOM 1010 C ASP A 63 -2.107 -18.083 14.021 1.00 70.33 C ATOM 1011 O ASP A 63 -2.524 -17.632 15.085 1.00 13.20 O ATOM 1012 CB ASP A 63 0.140 -17.165 13.359 1.00 53.34 C ATOM 1013 CG ASP A 63 0.829 -18.498 13.082 1.00 54.10 C ATOM 1014 OD1 ASP A 63 1.007 -18.829 11.883 1.00 31.40 O ATOM 1015 OD2 ASP A 63 1.105 -19.224 14.073 1.00 72.15 O ATOM 0 H ASP A 63 -1.427 -15.181 13.521 1.00 15.25 H new ATOM 0 HA ASP A 63 -1.488 -17.626 12.010 1.00 50.55 H new ATOM 0 HB2 ASP A 63 0.625 -16.380 12.779 1.00 53.34 H new ATOM 0 HB3 ASP A 63 0.262 -16.906 14.411 1.00 53.34 H new ATOM 1020 N GLN A 64 -2.213 -19.395 13.731 1.00 14.54 N ATOM 1021 CA GLN A 64 -2.828 -20.363 14.614 1.00 74.03 C ATOM 1022 C GLN A 64 -2.145 -20.515 15.971 1.00 73.24 C ATOM 1023 O GLN A 64 -2.804 -20.783 16.970 1.00 53.21 O ATOM 1024 CB GLN A 64 -2.965 -21.725 13.891 1.00 54.05 C ATOM 1025 CG GLN A 64 -3.676 -22.820 14.719 1.00 33.42 C ATOM 1026 CD GLN A 64 -5.080 -22.386 15.172 1.00 61.43 C ATOM 1027 OE1 GLN A 64 -5.985 -22.110 14.378 1.00 15.43 O ATOM 1028 NE2 GLN A 64 -5.256 -22.290 16.516 1.00 34.51 N ATOM 0 H GLN A 64 -1.865 -19.801 12.862 1.00 14.54 H new ATOM 0 HA GLN A 64 -3.817 -19.971 14.852 1.00 74.03 H new ATOM 0 HB2 GLN A 64 -3.515 -21.575 12.962 1.00 54.05 H new ATOM 0 HB3 GLN A 64 -1.971 -22.080 13.620 1.00 54.05 H new ATOM 0 HG2 GLN A 64 -3.753 -23.730 14.124 1.00 33.42 H new ATOM 0 HG3 GLN A 64 -3.072 -23.061 15.594 1.00 33.42 H new ATOM 0 HE21 GLN A 64 -4.491 -22.524 17.149 1.00 34.51 H new ATOM 0 HE22 GLN A 64 -6.153 -21.984 16.892 1.00 34.51 H new ATOM 1037 N ASP A 65 -0.814 -20.297 16.074 1.00 11.15 N ATOM 1038 CA ASP A 65 -0.068 -20.432 17.322 1.00 73.11 C ATOM 1039 C ASP A 65 -0.576 -19.523 18.443 1.00 13.23 C ATOM 1040 O ASP A 65 -0.546 -19.911 19.609 1.00 4.04 O ATOM 1041 CB ASP A 65 1.449 -20.139 17.131 1.00 54.03 C ATOM 1042 CG ASP A 65 2.179 -21.239 16.362 1.00 12.13 C ATOM 1043 OD1 ASP A 65 1.596 -22.334 16.155 1.00 11.34 O ATOM 1044 OD2 ASP A 65 3.361 -20.991 16.008 1.00 42.55 O ATOM 0 H ASP A 65 -0.234 -20.021 15.282 1.00 11.15 H new ATOM 0 HA ASP A 65 -0.224 -21.471 17.613 1.00 73.11 H new ATOM 0 HB2 ASP A 65 1.567 -19.194 16.601 1.00 54.03 H new ATOM 0 HB3 ASP A 65 1.915 -20.016 18.109 1.00 54.03 H new ATOM 1049 N MET A 66 -1.058 -18.294 18.132 1.00 2.14 N ATOM 1050 CA MET A 66 -1.636 -17.424 19.147 1.00 1.20 C ATOM 1051 C MET A 66 -3.069 -17.796 19.503 1.00 20.01 C ATOM 1052 O MET A 66 -3.584 -17.341 20.525 1.00 10.23 O ATOM 1053 CB MET A 66 -1.564 -15.916 18.765 1.00 31.31 C ATOM 1054 CG MET A 66 -2.422 -15.443 17.575 1.00 30.14 C ATOM 1055 SD MET A 66 -2.395 -13.645 17.278 1.00 70.01 S ATOM 1056 CE MET A 66 -0.672 -13.481 16.728 1.00 42.21 C ATOM 0 H MET A 66 -1.051 -17.900 17.191 1.00 2.14 H new ATOM 0 HA MET A 66 -1.016 -17.582 20.029 1.00 1.20 H new ATOM 0 HB2 MET A 66 -1.851 -15.333 19.640 1.00 31.31 H new ATOM 0 HB3 MET A 66 -0.524 -15.673 18.548 1.00 31.31 H new ATOM 0 HG2 MET A 66 -2.079 -15.951 16.674 1.00 30.14 H new ATOM 0 HG3 MET A 66 -3.453 -15.754 17.743 1.00 30.14 H new ATOM 0 HE1 MET A 66 -0.520 -12.491 16.297 1.00 42.21 H new ATOM 0 HE2 MET A 66 -0.004 -13.612 17.579 1.00 42.21 H new ATOM 0 HE3 MET A 66 -0.456 -14.241 15.977 1.00 42.21 H new ATOM 1066 N ASN A 67 -3.716 -18.656 18.673 1.00 43.41 N ATOM 1067 CA ASN A 67 -5.083 -19.151 18.765 1.00 21.33 C ATOM 1068 C ASN A 67 -6.191 -18.114 18.643 1.00 73.11 C ATOM 1069 O ASN A 67 -7.306 -18.353 19.105 1.00 34.32 O ATOM 1070 CB ASN A 67 -5.296 -19.998 20.062 1.00 74.43 C ATOM 1071 CG ASN A 67 -4.486 -21.293 20.002 1.00 62.13 C ATOM 1072 OD1 ASN A 67 -4.929 -22.275 19.401 1.00 21.24 O ATOM 1073 ND2 ASN A 67 -3.273 -21.309 20.603 1.00 63.32 N ATOM 0 H ASN A 67 -3.239 -19.044 17.859 1.00 43.41 H new ATOM 0 HA ASN A 67 -5.180 -19.773 17.875 1.00 21.33 H new ATOM 0 HB2 ASN A 67 -4.998 -19.417 20.935 1.00 74.43 H new ATOM 0 HB3 ASN A 67 -6.354 -20.231 20.181 1.00 74.43 H new ATOM 0 HD21 ASN A 67 -2.697 -22.150 20.567 1.00 63.32 H new ATOM 0 HD22 ASN A 67 -2.935 -20.480 21.092 1.00 63.32 H new ATOM 1080 N LEU A 68 -5.962 -16.944 17.992 1.00 22.41 N ATOM 1081 CA LEU A 68 -7.016 -15.958 17.854 1.00 0.24 C ATOM 1082 C LEU A 68 -7.900 -16.282 16.673 1.00 55.03 C ATOM 1083 O LEU A 68 -7.440 -16.342 15.535 1.00 50.33 O ATOM 1084 CB LEU A 68 -6.475 -14.519 17.653 1.00 1.34 C ATOM 1085 CG LEU A 68 -7.402 -13.376 18.144 1.00 40.35 C ATOM 1086 CD1 LEU A 68 -7.058 -11.995 17.603 1.00 22.41 C ATOM 1087 CD2 LEU A 68 -8.883 -13.667 18.436 1.00 24.52 C ATOM 0 H LEU A 68 -5.071 -16.683 17.570 1.00 22.41 H new ATOM 0 HA LEU A 68 -7.577 -15.996 18.788 1.00 0.24 H new ATOM 0 HB2 LEU A 68 -5.519 -14.434 18.171 1.00 1.34 H new ATOM 0 HB3 LEU A 68 -6.277 -14.370 16.592 1.00 1.34 H new ATOM 0 HG LEU A 68 -7.098 -13.335 19.190 1.00 40.35 H new ATOM 0 HD11 LEU A 68 -7.760 -11.263 18.002 1.00 22.41 H new ATOM 0 HD12 LEU A 68 -6.045 -11.728 17.905 1.00 22.41 H new ATOM 0 HD13 LEU A 68 -7.122 -12.004 16.515 1.00 22.41 H new ATOM 0 HD21 LEU A 68 -9.375 -12.753 18.768 1.00 24.52 H new ATOM 0 HD22 LEU A 68 -9.368 -14.031 17.530 1.00 24.52 H new ATOM 0 HD23 LEU A 68 -8.958 -14.424 19.217 1.00 24.52 H new ATOM 1099 N HIS A 69 -9.212 -16.448 16.917 1.00 74.33 N ATOM 1100 CA HIS A 69 -10.171 -16.473 15.844 1.00 21.51 C ATOM 1101 C HIS A 69 -11.382 -15.721 16.316 1.00 14.34 C ATOM 1102 O HIS A 69 -11.665 -15.645 17.514 1.00 2.41 O ATOM 1103 CB HIS A 69 -10.560 -17.919 15.426 1.00 71.22 C ATOM 1104 CG HIS A 69 -9.437 -18.734 14.826 1.00 72.25 C ATOM 1105 ND1 HIS A 69 -9.142 -18.671 13.493 1.00 71.23 N ATOM 1106 CD2 HIS A 69 -8.592 -19.643 15.370 1.00 62.14 C ATOM 1107 CE1 HIS A 69 -8.170 -19.525 13.229 1.00 25.41 C ATOM 1108 NE2 HIS A 69 -7.821 -20.134 14.348 1.00 65.31 N ATOM 0 H HIS A 69 -9.612 -16.565 17.848 1.00 74.33 H new ATOM 0 HA HIS A 69 -9.734 -16.012 14.958 1.00 21.51 H new ATOM 0 HB2 HIS A 69 -10.942 -18.444 16.302 1.00 71.22 H new ATOM 0 HB3 HIS A 69 -11.376 -17.866 14.705 1.00 71.22 H new ATOM 0 HD2 HIS A 69 -8.536 -19.927 16.411 1.00 62.14 H new ATOM 0 HE1 HIS A 69 -7.732 -19.697 12.257 1.00 25.41 H new ATOM 0 HE2 HIS A 69 -7.099 -20.849 14.437 1.00 65.31 H new ATOM 1117 N HIS A 70 -12.122 -15.103 15.373 1.00 71.13 N ATOM 1118 CA HIS A 70 -13.290 -14.317 15.693 1.00 53.33 C ATOM 1119 C HIS A 70 -14.445 -15.148 16.228 1.00 64.32 C ATOM 1120 O HIS A 70 -14.851 -16.157 15.649 1.00 22.42 O ATOM 1121 CB HIS A 70 -13.712 -13.464 14.466 1.00 25.31 C ATOM 1122 CG HIS A 70 -13.785 -14.223 13.166 1.00 1.32 C ATOM 1123 ND1 HIS A 70 -14.437 -15.415 13.027 1.00 50.11 N ATOM 1124 CD2 HIS A 70 -13.217 -13.944 11.971 1.00 74.25 C ATOM 1125 CE1 HIS A 70 -14.272 -15.850 11.790 1.00 24.24 C ATOM 1126 NE2 HIS A 70 -13.533 -14.974 11.129 1.00 44.11 N ATOM 0 H HIS A 70 -11.912 -15.146 14.376 1.00 71.13 H new ATOM 0 HA HIS A 70 -13.015 -13.648 16.508 1.00 53.33 H new ATOM 0 HB2 HIS A 70 -14.687 -13.020 14.667 1.00 25.31 H new ATOM 0 HB3 HIS A 70 -13.005 -12.642 14.352 1.00 25.31 H new ATOM 0 HD2 HIS A 70 -12.626 -13.073 11.728 1.00 74.25 H new ATOM 0 HE1 HIS A 70 -14.673 -16.768 11.386 1.00 24.24 H new ATOM 0 HE2 HIS A 70 -13.247 -15.054 10.153 1.00 44.11 H new ATOM 1135 N GLY A 71 -14.989 -14.700 17.380 1.00 42.35 N ATOM 1136 CA GLY A 71 -16.009 -15.395 18.155 1.00 14.13 C ATOM 1137 C GLY A 71 -15.487 -16.294 19.256 1.00 10.24 C ATOM 1138 O GLY A 71 -16.264 -16.776 20.074 1.00 12.43 O ATOM 0 H GLY A 71 -14.712 -13.813 17.800 1.00 42.35 H new ATOM 0 HA2 GLY A 71 -16.673 -14.653 18.599 1.00 14.13 H new ATOM 0 HA3 GLY A 71 -16.612 -15.995 17.474 1.00 14.13 H new ATOM 1142 N LYS A 72 -14.161 -16.554 19.324 1.00 22.04 N ATOM 1143 CA LYS A 72 -13.570 -17.588 20.163 1.00 15.54 C ATOM 1144 C LYS A 72 -12.847 -16.996 21.361 1.00 74.11 C ATOM 1145 O LYS A 72 -11.954 -17.619 21.939 1.00 75.35 O ATOM 1146 CB LYS A 72 -12.586 -18.513 19.381 1.00 24.41 C ATOM 1147 CG LYS A 72 -13.226 -19.527 18.404 1.00 15.03 C ATOM 1148 CD LYS A 72 -13.919 -18.935 17.167 1.00 42.51 C ATOM 1149 CE LYS A 72 -14.256 -19.957 16.078 1.00 74.41 C ATOM 1150 NZ LYS A 72 -15.224 -20.952 16.581 1.00 33.24 N ATOM 0 H LYS A 72 -13.471 -16.034 18.782 1.00 22.04 H new ATOM 0 HA LYS A 72 -14.408 -18.194 20.508 1.00 15.54 H new ATOM 0 HB2 LYS A 72 -11.899 -17.882 18.817 1.00 24.41 H new ATOM 0 HB3 LYS A 72 -11.989 -19.067 20.105 1.00 24.41 H new ATOM 0 HG2 LYS A 72 -12.450 -20.213 18.066 1.00 15.03 H new ATOM 0 HG3 LYS A 72 -13.957 -20.119 18.955 1.00 15.03 H new ATOM 0 HD2 LYS A 72 -14.839 -18.442 17.482 1.00 42.51 H new ATOM 0 HD3 LYS A 72 -13.276 -18.166 16.739 1.00 42.51 H new ATOM 0 HE2 LYS A 72 -14.670 -19.447 15.208 1.00 74.41 H new ATOM 0 HE3 LYS A 72 -13.346 -20.460 15.750 1.00 74.41 H new ATOM 0 HZ1 LYS A 72 -15.441 -21.637 15.829 1.00 33.24 H new ATOM 0 HZ2 LYS A 72 -14.816 -21.451 17.397 1.00 33.24 H new ATOM 0 HZ3 LYS A 72 -16.098 -20.470 16.872 1.00 33.24 H new ATOM 1164 N ALA A 73 -13.237 -15.775 21.796 1.00 14.52 N ATOM 1165 CA ALA A 73 -12.547 -15.011 22.818 1.00 30.44 C ATOM 1166 C ALA A 73 -12.400 -15.707 24.130 1.00 14.41 C ATOM 1167 O ALA A 73 -11.317 -15.672 24.690 1.00 71.10 O ATOM 1168 CB ALA A 73 -13.273 -13.705 23.134 1.00 11.42 C ATOM 0 H ALA A 73 -14.060 -15.298 21.427 1.00 14.52 H new ATOM 0 HA ALA A 73 -11.563 -14.852 22.378 1.00 30.44 H new ATOM 0 HB1 ALA A 73 -12.725 -13.161 23.904 1.00 11.42 H new ATOM 0 HB2 ALA A 73 -13.334 -13.095 22.233 1.00 11.42 H new ATOM 0 HB3 ALA A 73 -14.279 -13.925 23.491 1.00 11.42 H new ATOM 1174 N MET A 74 -13.445 -16.377 24.645 1.00 60.42 N ATOM 1175 CA MET A 74 -13.357 -16.991 25.963 1.00 71.13 C ATOM 1176 C MET A 74 -12.275 -18.067 26.036 1.00 31.32 C ATOM 1177 O MET A 74 -11.521 -18.142 27.003 1.00 14.34 O ATOM 1178 CB MET A 74 -14.710 -17.599 26.408 1.00 25.42 C ATOM 1179 CG MET A 74 -15.789 -16.529 26.668 1.00 14.53 C ATOM 1180 SD MET A 74 -17.386 -17.189 27.242 1.00 52.14 S ATOM 1181 CE MET A 74 -16.868 -17.568 28.942 1.00 21.04 C ATOM 0 H MET A 74 -14.340 -16.501 24.173 1.00 60.42 H new ATOM 0 HA MET A 74 -13.087 -16.184 26.644 1.00 71.13 H new ATOM 0 HB2 MET A 74 -15.064 -18.287 25.640 1.00 25.42 H new ATOM 0 HB3 MET A 74 -14.559 -18.184 27.315 1.00 25.42 H new ATOM 0 HG2 MET A 74 -15.413 -15.825 27.411 1.00 14.53 H new ATOM 0 HG3 MET A 74 -15.952 -15.966 25.749 1.00 14.53 H new ATOM 0 HE1 MET A 74 -16.581 -18.617 29.010 1.00 21.04 H new ATOM 0 HE2 MET A 74 -16.018 -16.942 29.211 1.00 21.04 H new ATOM 0 HE3 MET A 74 -17.694 -17.373 29.626 1.00 21.04 H new ATOM 1191 N GLU A 75 -12.162 -18.899 24.978 1.00 62.32 N ATOM 1192 CA GLU A 75 -11.131 -19.922 24.858 1.00 54.40 C ATOM 1193 C GLU A 75 -9.738 -19.350 24.624 1.00 72.24 C ATOM 1194 O GLU A 75 -8.767 -19.742 25.269 1.00 72.21 O ATOM 1195 CB GLU A 75 -11.469 -20.909 23.710 1.00 10.02 C ATOM 1196 CG GLU A 75 -12.716 -21.778 24.008 1.00 43.33 C ATOM 1197 CD GLU A 75 -13.058 -22.720 22.853 1.00 42.44 C ATOM 1198 OE1 GLU A 75 -13.009 -23.958 23.072 1.00 63.14 O ATOM 1199 OE2 GLU A 75 -13.384 -22.204 21.752 1.00 30.53 O ATOM 0 H GLU A 75 -12.797 -18.869 24.181 1.00 62.32 H new ATOM 0 HA GLU A 75 -11.118 -20.443 25.816 1.00 54.40 H new ATOM 0 HB2 GLU A 75 -11.636 -20.346 22.792 1.00 10.02 H new ATOM 0 HB3 GLU A 75 -10.613 -21.560 23.534 1.00 10.02 H new ATOM 0 HG2 GLU A 75 -12.541 -22.363 24.911 1.00 43.33 H new ATOM 0 HG3 GLU A 75 -13.568 -21.129 24.209 1.00 43.33 H new ATOM 1206 N PHE A 76 -9.641 -18.361 23.711 1.00 35.44 N ATOM 1207 CA PHE A 76 -8.455 -17.599 23.368 1.00 42.12 C ATOM 1208 C PHE A 76 -7.890 -16.830 24.544 1.00 61.54 C ATOM 1209 O PHE A 76 -6.698 -16.890 24.828 1.00 30.52 O ATOM 1210 CB PHE A 76 -8.823 -16.651 22.188 1.00 2.21 C ATOM 1211 CG PHE A 76 -7.777 -15.615 21.879 1.00 33.54 C ATOM 1212 CD1 PHE A 76 -6.553 -15.929 21.278 1.00 35.52 C ATOM 1213 CD2 PHE A 76 -8.014 -14.295 22.289 1.00 11.20 C ATOM 1214 CE1 PHE A 76 -5.612 -14.923 21.020 1.00 14.10 C ATOM 1215 CE2 PHE A 76 -7.036 -13.318 22.123 1.00 31.24 C ATOM 1216 CZ PHE A 76 -5.845 -13.618 21.459 1.00 22.43 C ATOM 0 H PHE A 76 -10.451 -18.066 23.166 1.00 35.44 H new ATOM 0 HA PHE A 76 -7.663 -18.287 23.071 1.00 42.12 H new ATOM 0 HB2 PHE A 76 -8.998 -17.252 21.295 1.00 2.21 H new ATOM 0 HB3 PHE A 76 -9.760 -16.146 22.421 1.00 2.21 H new ATOM 0 HD1 PHE A 76 -6.332 -16.952 21.012 1.00 35.52 H new ATOM 0 HD2 PHE A 76 -8.962 -14.034 22.737 1.00 11.20 H new ATOM 0 HE1 PHE A 76 -4.706 -15.157 20.481 1.00 14.10 H new ATOM 0 HE2 PHE A 76 -7.199 -12.323 22.510 1.00 31.24 H new ATOM 0 HZ PHE A 76 -5.109 -12.846 21.286 1.00 22.43 H new ATOM 1226 N ALA A 77 -8.746 -16.110 25.285 1.00 62.55 N ATOM 1227 CA ALA A 77 -8.347 -15.294 26.397 1.00 4.24 C ATOM 1228 C ALA A 77 -7.665 -16.072 27.509 1.00 12.43 C ATOM 1229 O ALA A 77 -6.642 -15.644 28.044 1.00 4.54 O ATOM 1230 CB ALA A 77 -9.609 -14.605 26.898 1.00 72.53 C ATOM 0 H ALA A 77 -9.750 -16.092 25.109 1.00 62.55 H new ATOM 0 HA ALA A 77 -7.595 -14.576 26.069 1.00 4.24 H new ATOM 0 HB1 ALA A 77 -9.363 -13.968 27.748 1.00 72.53 H new ATOM 0 HB2 ALA A 77 -10.033 -13.996 26.099 1.00 72.53 H new ATOM 0 HB3 ALA A 77 -10.336 -15.356 27.206 1.00 72.53 H new ATOM 1236 N MET A 78 -8.196 -17.274 27.835 1.00 14.34 N ATOM 1237 CA MET A 78 -7.590 -18.188 28.785 1.00 4.13 C ATOM 1238 C MET A 78 -6.226 -18.715 28.356 1.00 10.21 C ATOM 1239 O MET A 78 -5.327 -18.853 29.184 1.00 50.01 O ATOM 1240 CB MET A 78 -8.552 -19.343 29.154 1.00 3.35 C ATOM 1241 CG MET A 78 -9.742 -18.859 30.018 1.00 41.43 C ATOM 1242 SD MET A 78 -10.820 -20.197 30.632 1.00 2.33 S ATOM 1243 CE MET A 78 -11.480 -20.820 29.059 1.00 31.52 C ATOM 0 H MET A 78 -9.066 -17.624 27.433 1.00 14.34 H new ATOM 0 HA MET A 78 -7.405 -17.595 29.681 1.00 4.13 H new ATOM 0 HB2 MET A 78 -8.931 -19.803 28.242 1.00 3.35 H new ATOM 0 HB3 MET A 78 -8.002 -20.113 29.695 1.00 3.35 H new ATOM 0 HG2 MET A 78 -9.354 -18.302 30.870 1.00 41.43 H new ATOM 0 HG3 MET A 78 -10.343 -18.165 29.431 1.00 41.43 H new ATOM 0 HE1 MET A 78 -12.176 -21.636 29.254 1.00 31.52 H new ATOM 0 HE2 MET A 78 -12.000 -20.016 28.539 1.00 31.52 H new ATOM 0 HE3 MET A 78 -10.660 -21.183 28.439 1.00 31.52 H new ATOM 1253 N LYS A 79 -6.002 -18.962 27.040 1.00 64.02 N ATOM 1254 CA LYS A 79 -4.686 -19.315 26.503 1.00 4.13 C ATOM 1255 C LYS A 79 -3.638 -18.219 26.731 1.00 53.45 C ATOM 1256 O LYS A 79 -2.448 -18.497 26.859 1.00 43.34 O ATOM 1257 CB LYS A 79 -4.747 -19.614 24.979 1.00 41.23 C ATOM 1258 CG LYS A 79 -5.497 -20.904 24.600 1.00 72.21 C ATOM 1259 CD LYS A 79 -4.709 -22.185 24.925 1.00 53.23 C ATOM 1260 CE LYS A 79 -5.448 -23.461 24.524 1.00 53.14 C ATOM 1261 NZ LYS A 79 -4.615 -24.638 24.840 1.00 12.20 N ATOM 0 H LYS A 79 -6.735 -18.919 26.332 1.00 64.02 H new ATOM 0 HA LYS A 79 -4.388 -20.210 27.049 1.00 4.13 H new ATOM 0 HB2 LYS A 79 -5.225 -18.773 24.478 1.00 41.23 H new ATOM 0 HB3 LYS A 79 -3.729 -19.677 24.595 1.00 41.23 H new ATOM 0 HG2 LYS A 79 -6.451 -20.929 25.127 1.00 72.21 H new ATOM 0 HG3 LYS A 79 -5.722 -20.885 23.534 1.00 72.21 H new ATOM 0 HD2 LYS A 79 -3.747 -22.153 24.413 1.00 53.23 H new ATOM 0 HD3 LYS A 79 -4.500 -22.214 25.994 1.00 53.23 H new ATOM 0 HE2 LYS A 79 -6.399 -23.524 25.053 1.00 53.14 H new ATOM 0 HE3 LYS A 79 -5.677 -23.441 23.458 1.00 53.14 H new ATOM 0 HZ1 LYS A 79 -5.120 -25.505 24.566 1.00 12.20 H new ATOM 0 HZ2 LYS A 79 -3.719 -24.580 24.316 1.00 12.20 H new ATOM 0 HZ3 LYS A 79 -4.418 -24.660 25.861 1.00 12.20 H new ATOM 1275 N HIS A 80 -4.077 -16.945 26.813 1.00 44.21 N ATOM 1276 CA HIS A 80 -3.249 -15.775 27.043 1.00 51.31 C ATOM 1277 C HIS A 80 -3.155 -15.342 28.489 1.00 43.32 C ATOM 1278 O HIS A 80 -2.669 -14.252 28.786 1.00 23.40 O ATOM 1279 CB HIS A 80 -3.728 -14.619 26.154 1.00 54.42 C ATOM 1280 CG HIS A 80 -3.372 -14.904 24.716 1.00 21.02 C ATOM 1281 ND1 HIS A 80 -2.087 -14.749 24.269 1.00 2.05 N ATOM 1282 CD2 HIS A 80 -4.036 -15.584 23.756 1.00 10.11 C ATOM 1283 CE1 HIS A 80 -1.975 -15.315 23.080 1.00 41.55 C ATOM 1284 NE2 HIS A 80 -3.141 -15.837 22.750 1.00 70.03 N ATOM 0 H HIS A 80 -5.065 -16.709 26.714 1.00 44.21 H new ATOM 0 HA HIS A 80 -2.233 -16.064 26.772 1.00 51.31 H new ATOM 0 HB2 HIS A 80 -4.806 -14.493 26.254 1.00 54.42 H new ATOM 0 HB3 HIS A 80 -3.267 -13.685 26.475 1.00 54.42 H new ATOM 0 HD2 HIS A 80 -5.076 -15.874 23.777 1.00 10.11 H new ATOM 0 HE1 HIS A 80 -1.078 -15.345 22.479 1.00 41.55 H new ATOM 0 HE2 HIS A 80 -3.343 -16.345 21.889 1.00 70.03 H new ATOM 1293 N GLY A 81 -3.565 -16.206 29.442 1.00 11.33 N ATOM 1294 CA GLY A 81 -3.257 -16.001 30.851 1.00 23.32 C ATOM 1295 C GLY A 81 -4.348 -15.329 31.621 1.00 64.34 C ATOM 1296 O GLY A 81 -4.235 -15.161 32.833 1.00 74.12 O ATOM 0 H GLY A 81 -4.109 -17.047 29.250 1.00 11.33 H new ATOM 0 HA2 GLY A 81 -3.044 -16.967 31.310 1.00 23.32 H new ATOM 0 HA3 GLY A 81 -2.349 -15.403 30.931 1.00 23.32 H new ATOM 1300 N ALA A 82 -5.462 -14.954 30.959 1.00 2.24 N ATOM 1301 CA ALA A 82 -6.674 -14.600 31.678 1.00 15.43 C ATOM 1302 C ALA A 82 -7.274 -15.813 32.405 1.00 72.32 C ATOM 1303 O ALA A 82 -7.282 -16.928 31.890 1.00 5.43 O ATOM 1304 CB ALA A 82 -7.732 -14.018 30.718 1.00 55.33 C ATOM 0 H ALA A 82 -5.535 -14.893 29.943 1.00 2.24 H new ATOM 0 HA ALA A 82 -6.396 -13.848 32.416 1.00 15.43 H new ATOM 0 HB1 ALA A 82 -8.630 -13.761 31.279 1.00 55.33 H new ATOM 0 HB2 ALA A 82 -7.335 -13.123 30.238 1.00 55.33 H new ATOM 0 HB3 ALA A 82 -7.979 -14.758 29.957 1.00 55.33 H new ATOM 1310 N ASP A 83 -7.817 -15.642 33.634 1.00 55.04 N ATOM 1311 CA ASP A 83 -8.614 -16.689 34.258 1.00 61.22 C ATOM 1312 C ASP A 83 -10.025 -16.617 33.694 1.00 55.45 C ATOM 1313 O ASP A 83 -10.380 -15.672 32.996 1.00 73.54 O ATOM 1314 CB ASP A 83 -8.667 -16.571 35.801 1.00 25.53 C ATOM 1315 CG ASP A 83 -7.275 -16.744 36.403 1.00 12.31 C ATOM 1316 OD1 ASP A 83 -6.822 -15.805 37.106 1.00 61.24 O ATOM 1317 OD2 ASP A 83 -6.687 -17.837 36.202 1.00 45.50 O ATOM 0 H ASP A 83 -7.712 -14.796 34.195 1.00 55.04 H new ATOM 0 HA ASP A 83 -8.143 -17.646 34.034 1.00 61.22 H new ATOM 0 HB2 ASP A 83 -9.072 -15.599 36.083 1.00 25.53 H new ATOM 0 HB3 ASP A 83 -9.340 -17.327 36.206 1.00 25.53 H new ATOM 1322 N GLU A 84 -10.885 -17.619 33.984 1.00 72.53 N ATOM 1323 CA GLU A 84 -12.203 -17.723 33.364 1.00 34.53 C ATOM 1324 C GLU A 84 -13.119 -16.569 33.740 1.00 54.14 C ATOM 1325 O GLU A 84 -13.899 -16.072 32.931 1.00 52.34 O ATOM 1326 CB GLU A 84 -12.883 -19.090 33.669 1.00 53.31 C ATOM 1327 CG GLU A 84 -13.235 -19.358 35.151 1.00 63.23 C ATOM 1328 CD GLU A 84 -13.847 -20.746 35.363 1.00 35.34 C ATOM 1329 OE1 GLU A 84 -13.224 -21.547 36.106 1.00 64.22 O ATOM 1330 OE2 GLU A 84 -14.940 -21.003 34.797 1.00 23.12 O ATOM 0 H GLU A 84 -10.678 -18.365 34.648 1.00 72.53 H new ATOM 0 HA GLU A 84 -12.034 -17.664 32.289 1.00 34.53 H new ATOM 0 HB2 GLU A 84 -13.799 -19.157 33.081 1.00 53.31 H new ATOM 0 HB3 GLU A 84 -12.224 -19.886 33.323 1.00 53.31 H new ATOM 0 HG2 GLU A 84 -12.335 -19.264 35.758 1.00 63.23 H new ATOM 0 HG3 GLU A 84 -13.935 -18.598 35.499 1.00 63.23 H new ATOM 1337 N ALA A 85 -12.971 -16.090 34.992 1.00 11.30 N ATOM 1338 CA ALA A 85 -13.621 -14.924 35.545 1.00 74.14 C ATOM 1339 C ALA A 85 -13.169 -13.637 34.871 1.00 73.32 C ATOM 1340 O ALA A 85 -13.965 -12.770 34.520 1.00 42.01 O ATOM 1341 CB ALA A 85 -13.328 -14.868 37.056 1.00 44.22 C ATOM 0 H ALA A 85 -12.357 -16.545 35.668 1.00 11.30 H new ATOM 0 HA ALA A 85 -14.693 -15.010 35.367 1.00 74.14 H new ATOM 0 HB1 ALA A 85 -13.812 -13.992 37.488 1.00 44.22 H new ATOM 0 HB2 ALA A 85 -13.712 -15.769 37.535 1.00 44.22 H new ATOM 0 HB3 ALA A 85 -12.252 -14.803 37.216 1.00 44.22 H new ATOM 1347 N MET A 86 -11.844 -13.503 34.657 1.00 24.25 N ATOM 1348 CA MET A 86 -11.220 -12.376 33.997 1.00 61.42 C ATOM 1349 C MET A 86 -11.561 -12.309 32.523 1.00 63.25 C ATOM 1350 O MET A 86 -11.775 -11.235 31.965 1.00 54.32 O ATOM 1351 CB MET A 86 -9.690 -12.406 34.143 1.00 71.23 C ATOM 1352 CG MET A 86 -9.194 -12.276 35.594 1.00 62.04 C ATOM 1353 SD MET A 86 -7.405 -12.551 35.751 1.00 30.15 S ATOM 1354 CE MET A 86 -7.349 -12.234 37.536 1.00 54.41 C ATOM 0 H MET A 86 -11.171 -14.209 34.955 1.00 24.25 H new ATOM 0 HA MET A 86 -11.618 -11.491 34.493 1.00 61.42 H new ATOM 0 HB2 MET A 86 -9.314 -13.340 33.724 1.00 71.23 H new ATOM 0 HB3 MET A 86 -9.263 -11.596 33.551 1.00 71.23 H new ATOM 0 HG2 MET A 86 -9.439 -11.283 35.970 1.00 62.04 H new ATOM 0 HG3 MET A 86 -9.724 -12.993 36.220 1.00 62.04 H new ATOM 0 HE1 MET A 86 -6.325 -12.343 37.893 1.00 54.41 H new ATOM 0 HE2 MET A 86 -7.698 -11.221 37.737 1.00 54.41 H new ATOM 0 HE3 MET A 86 -7.991 -12.948 38.053 1.00 54.41 H new ATOM 1364 N ALA A 87 -11.612 -13.479 31.857 1.00 53.23 N ATOM 1365 CA ALA A 87 -11.986 -13.600 30.467 1.00 43.34 C ATOM 1366 C ALA A 87 -13.401 -13.103 30.189 1.00 31.02 C ATOM 1367 O ALA A 87 -13.637 -12.286 29.300 1.00 73.42 O ATOM 1368 CB ALA A 87 -11.865 -15.079 30.044 1.00 73.41 C ATOM 0 H ALA A 87 -11.387 -14.373 32.294 1.00 53.23 H new ATOM 0 HA ALA A 87 -11.310 -12.971 29.888 1.00 43.34 H new ATOM 0 HB1 ALA A 87 -12.145 -15.182 28.996 1.00 73.41 H new ATOM 0 HB2 ALA A 87 -10.836 -15.413 30.179 1.00 73.41 H new ATOM 0 HB3 ALA A 87 -12.528 -15.688 30.658 1.00 73.41 H new ATOM 1374 N LYS A 88 -14.384 -13.526 31.014 1.00 51.12 N ATOM 1375 CA LYS A 88 -15.750 -13.047 30.906 1.00 1.32 C ATOM 1376 C LYS A 88 -15.881 -11.600 31.333 1.00 64.43 C ATOM 1377 O LYS A 88 -16.714 -10.872 30.805 1.00 61.52 O ATOM 1378 CB LYS A 88 -16.783 -13.924 31.668 1.00 11.42 C ATOM 1379 CG LYS A 88 -16.670 -13.958 33.200 1.00 71.32 C ATOM 1380 CD LYS A 88 -17.772 -14.799 33.868 1.00 64.04 C ATOM 1381 CE LYS A 88 -19.138 -14.110 33.853 1.00 3.04 C ATOM 1382 NZ LYS A 88 -20.153 -14.994 34.459 1.00 33.14 N ATOM 0 H LYS A 88 -14.239 -14.204 31.763 1.00 51.12 H new ATOM 0 HA LYS A 88 -15.988 -13.124 29.845 1.00 1.32 H new ATOM 0 HB2 LYS A 88 -17.782 -13.573 31.409 1.00 11.42 H new ATOM 0 HB3 LYS A 88 -16.698 -14.946 31.299 1.00 11.42 H new ATOM 0 HG2 LYS A 88 -15.696 -14.360 33.478 1.00 71.32 H new ATOM 0 HG3 LYS A 88 -16.716 -12.939 33.584 1.00 71.32 H new ATOM 0 HD2 LYS A 88 -17.849 -15.759 33.357 1.00 64.04 H new ATOM 0 HD3 LYS A 88 -17.488 -15.008 34.899 1.00 64.04 H new ATOM 0 HE2 LYS A 88 -19.087 -13.170 34.403 1.00 3.04 H new ATOM 0 HE3 LYS A 88 -19.421 -13.866 32.829 1.00 3.04 H new ATOM 0 HZ1 LYS A 88 -21.079 -14.520 34.446 1.00 33.14 H new ATOM 0 HZ2 LYS A 88 -20.210 -15.880 33.917 1.00 33.14 H new ATOM 0 HZ3 LYS A 88 -19.887 -15.206 35.442 1.00 33.14 H new ATOM 1396 N GLN A 89 -15.012 -11.120 32.253 1.00 50.32 N ATOM 1397 CA GLN A 89 -14.906 -9.727 32.622 1.00 63.31 C ATOM 1398 C GLN A 89 -14.534 -8.794 31.494 1.00 43.31 C ATOM 1399 O GLN A 89 -15.156 -7.741 31.378 1.00 65.45 O ATOM 1400 CB GLN A 89 -13.942 -9.515 33.815 1.00 44.43 C ATOM 1401 CG GLN A 89 -13.749 -8.034 34.198 1.00 63.42 C ATOM 1402 CD GLN A 89 -13.163 -7.837 35.594 1.00 53.11 C ATOM 1403 OE1 GLN A 89 -13.763 -7.193 36.457 1.00 32.22 O ATOM 1404 NE2 GLN A 89 -11.953 -8.398 35.828 1.00 53.24 N ATOM 0 H GLN A 89 -14.360 -11.720 32.759 1.00 50.32 H new ATOM 0 HA GLN A 89 -15.921 -9.460 32.918 1.00 63.31 H new ATOM 0 HB2 GLN A 89 -14.323 -10.058 34.680 1.00 44.43 H new ATOM 0 HB3 GLN A 89 -12.972 -9.947 33.569 1.00 44.43 H new ATOM 0 HG2 GLN A 89 -13.093 -7.561 33.467 1.00 63.42 H new ATOM 0 HG3 GLN A 89 -14.711 -7.524 34.141 1.00 63.42 H new ATOM 0 HE21 GLN A 89 -11.484 -8.925 35.091 1.00 53.24 H new ATOM 0 HE22 GLN A 89 -11.511 -8.294 36.741 1.00 53.24 H new ATOM 1413 N LEU A 90 -13.575 -9.121 30.593 1.00 33.13 N ATOM 1414 CA LEU A 90 -13.284 -8.273 29.474 1.00 4.12 C ATOM 1415 C LEU A 90 -14.472 -8.136 28.526 1.00 53.50 C ATOM 1416 O LEU A 90 -14.822 -7.042 28.087 1.00 14.22 O ATOM 1417 CB LEU A 90 -12.041 -8.820 28.744 1.00 64.11 C ATOM 1418 CG LEU A 90 -10.672 -8.747 29.475 1.00 52.11 C ATOM 1419 CD1 LEU A 90 -9.540 -9.286 28.571 1.00 42.12 C ATOM 1420 CD2 LEU A 90 -10.275 -7.360 30.008 1.00 23.44 C ATOM 0 H LEU A 90 -13.008 -9.967 30.643 1.00 33.13 H new ATOM 0 HA LEU A 90 -13.078 -7.268 29.843 1.00 4.12 H new ATOM 0 HB2 LEU A 90 -12.232 -9.864 28.497 1.00 64.11 H new ATOM 0 HB3 LEU A 90 -11.945 -8.282 27.801 1.00 64.11 H new ATOM 0 HG LEU A 90 -10.808 -9.375 30.355 1.00 52.11 H new ATOM 0 HD11 LEU A 90 -8.590 -9.226 29.102 1.00 42.12 H new ATOM 0 HD12 LEU A 90 -9.745 -10.324 28.311 1.00 42.12 H new ATOM 0 HD13 LEU A 90 -9.485 -8.688 27.661 1.00 42.12 H new ATOM 0 HD21 LEU A 90 -9.304 -7.423 30.499 1.00 23.44 H new ATOM 0 HD22 LEU A 90 -10.217 -6.655 29.179 1.00 23.44 H new ATOM 0 HD23 LEU A 90 -11.022 -7.018 30.724 1.00 23.44 H new ATOM 1432 N LEU A 91 -15.177 -9.249 28.254 1.00 33.33 N ATOM 1433 CA LEU A 91 -16.413 -9.246 27.493 1.00 65.53 C ATOM 1434 C LEU A 91 -17.529 -8.466 28.216 1.00 73.21 C ATOM 1435 O LEU A 91 -18.292 -7.721 27.602 1.00 12.21 O ATOM 1436 CB LEU A 91 -16.803 -10.718 27.195 1.00 3.21 C ATOM 1437 CG LEU A 91 -15.826 -11.435 26.226 1.00 0.22 C ATOM 1438 CD1 LEU A 91 -15.711 -12.932 26.525 1.00 2.01 C ATOM 1439 CD2 LEU A 91 -16.254 -11.275 24.765 1.00 25.00 C ATOM 0 H LEU A 91 -14.892 -10.178 28.565 1.00 33.33 H new ATOM 0 HA LEU A 91 -16.267 -8.722 26.549 1.00 65.53 H new ATOM 0 HB2 LEU A 91 -16.843 -11.272 28.133 1.00 3.21 H new ATOM 0 HB3 LEU A 91 -17.806 -10.740 26.769 1.00 3.21 H new ATOM 0 HG LEU A 91 -14.858 -10.958 26.382 1.00 0.22 H new ATOM 0 HD11 LEU A 91 -15.017 -13.391 25.821 1.00 2.01 H new ATOM 0 HD12 LEU A 91 -15.344 -13.073 27.542 1.00 2.01 H new ATOM 0 HD13 LEU A 91 -16.691 -13.399 26.425 1.00 2.01 H new ATOM 0 HD21 LEU A 91 -15.544 -11.791 24.119 1.00 25.00 H new ATOM 0 HD22 LEU A 91 -17.247 -11.703 24.628 1.00 25.00 H new ATOM 0 HD23 LEU A 91 -16.276 -10.216 24.506 1.00 25.00 H new ATOM 1451 N ASP A 92 -17.633 -8.601 29.561 1.00 25.44 N ATOM 1452 CA ASP A 92 -18.573 -7.889 30.409 1.00 23.13 C ATOM 1453 C ASP A 92 -18.345 -6.387 30.498 1.00 63.02 C ATOM 1454 O ASP A 92 -19.299 -5.621 30.431 1.00 61.23 O ATOM 1455 CB ASP A 92 -18.592 -8.570 31.788 1.00 1.42 C ATOM 1456 CG ASP A 92 -19.667 -8.097 32.760 1.00 2.01 C ATOM 1457 OD1 ASP A 92 -20.866 -8.366 32.472 1.00 24.35 O ATOM 1458 OD2 ASP A 92 -19.301 -7.498 33.802 1.00 52.20 O ATOM 0 H ASP A 92 -17.034 -9.237 30.088 1.00 25.44 H new ATOM 0 HA ASP A 92 -19.556 -7.957 29.944 1.00 23.13 H new ATOM 0 HB2 ASP A 92 -18.714 -9.643 31.638 1.00 1.42 H new ATOM 0 HB3 ASP A 92 -17.619 -8.422 32.256 1.00 1.42 H new ATOM 1463 N ILE A 93 -17.074 -5.927 30.600 1.00 64.25 N ATOM 1464 CA ILE A 93 -16.699 -4.508 30.531 1.00 75.01 C ATOM 1465 C ILE A 93 -17.145 -3.940 29.210 1.00 3.13 C ATOM 1466 O ILE A 93 -17.741 -2.867 29.147 1.00 61.24 O ATOM 1467 CB ILE A 93 -15.192 -4.254 30.585 1.00 10.31 C ATOM 1468 CG1 ILE A 93 -14.553 -4.560 31.957 1.00 12.34 C ATOM 1469 CG2 ILE A 93 -14.852 -2.802 30.170 1.00 52.34 C ATOM 1470 CD1 ILE A 93 -13.013 -4.643 31.930 1.00 71.42 C ATOM 0 H ILE A 93 -16.275 -6.547 30.734 1.00 64.25 H new ATOM 0 HA ILE A 93 -17.172 -4.047 31.398 1.00 75.01 H new ATOM 0 HB ILE A 93 -14.762 -4.955 29.870 1.00 10.31 H new ATOM 0 HG12 ILE A 93 -14.852 -3.788 32.665 1.00 12.34 H new ATOM 0 HG13 ILE A 93 -14.951 -5.504 32.328 1.00 12.34 H new ATOM 0 HG21 ILE A 93 -13.773 -2.653 30.219 1.00 52.34 H new ATOM 0 HG22 ILE A 93 -15.197 -2.624 29.152 1.00 52.34 H new ATOM 0 HG23 ILE A 93 -15.346 -2.105 30.847 1.00 52.34 H new ATOM 0 HD11 ILE A 93 -12.643 -4.861 32.932 1.00 71.42 H new ATOM 0 HD12 ILE A 93 -12.703 -5.435 31.248 1.00 71.42 H new ATOM 0 HD13 ILE A 93 -12.603 -3.692 31.591 1.00 71.42 H new ATOM 1482 N LYS A 94 -16.895 -4.688 28.116 1.00 62.34 N ATOM 1483 CA LYS A 94 -17.267 -4.292 26.786 1.00 71.30 C ATOM 1484 C LYS A 94 -18.742 -4.071 26.683 1.00 70.04 C ATOM 1485 O LYS A 94 -19.182 -3.002 26.283 1.00 23.15 O ATOM 1486 CB LYS A 94 -16.827 -5.400 25.783 1.00 40.42 C ATOM 1487 CG LYS A 94 -17.796 -5.644 24.610 1.00 10.03 C ATOM 1488 CD LYS A 94 -17.215 -6.335 23.372 1.00 62.12 C ATOM 1489 CE LYS A 94 -17.896 -5.743 22.140 1.00 24.23 C ATOM 1490 NZ LYS A 94 -17.245 -6.163 20.889 1.00 4.32 N ATOM 0 H LYS A 94 -16.422 -5.591 28.156 1.00 62.34 H new ATOM 0 HA LYS A 94 -16.768 -3.353 26.547 1.00 71.30 H new ATOM 0 HB2 LYS A 94 -15.851 -5.134 25.378 1.00 40.42 H new ATOM 0 HB3 LYS A 94 -16.701 -6.334 26.330 1.00 40.42 H new ATOM 0 HG2 LYS A 94 -18.629 -6.244 24.976 1.00 10.03 H new ATOM 0 HG3 LYS A 94 -18.207 -4.683 24.302 1.00 10.03 H new ATOM 0 HD2 LYS A 94 -16.137 -6.184 23.321 1.00 62.12 H new ATOM 0 HD3 LYS A 94 -17.384 -7.411 23.421 1.00 62.12 H new ATOM 0 HE2 LYS A 94 -18.942 -6.048 22.123 1.00 24.23 H new ATOM 0 HE3 LYS A 94 -17.883 -4.655 22.207 1.00 24.23 H new ATOM 0 HZ1 LYS A 94 -17.429 -5.457 20.148 1.00 4.32 H new ATOM 0 HZ2 LYS A 94 -16.220 -6.245 21.042 1.00 4.32 H new ATOM 0 HZ3 LYS A 94 -17.625 -7.084 20.592 1.00 4.32 H new ATOM 1504 N HIS A 95 -19.573 -5.023 27.130 1.00 51.25 N ATOM 1505 CA HIS A 95 -20.986 -4.883 26.825 1.00 61.23 C ATOM 1506 C HIS A 95 -21.589 -3.817 27.698 1.00 33.43 C ATOM 1507 O HIS A 95 -22.554 -3.145 27.347 1.00 62.31 O ATOM 1508 CB HIS A 95 -21.762 -6.173 27.057 1.00 31.52 C ATOM 1509 CG HIS A 95 -22.189 -6.578 28.407 1.00 63.30 C ATOM 1510 ND1 HIS A 95 -23.260 -6.135 29.128 1.00 5.32 N ATOM 1511 CD2 HIS A 95 -21.584 -7.522 29.117 1.00 1.15 C ATOM 1512 CE1 HIS A 95 -23.275 -6.779 30.280 1.00 63.32 C ATOM 1513 NE2 HIS A 95 -22.256 -7.624 30.301 1.00 11.23 N ATOM 0 H HIS A 95 -19.307 -5.846 27.670 1.00 51.25 H new ATOM 0 HA HIS A 95 -21.056 -4.620 25.769 1.00 61.23 H new ATOM 0 HB2 HIS A 95 -22.661 -6.118 26.443 1.00 31.52 H new ATOM 0 HB3 HIS A 95 -21.154 -6.985 26.659 1.00 31.52 H new ATOM 0 HD2 HIS A 95 -20.723 -8.100 28.815 1.00 1.15 H new ATOM 0 HE1 HIS A 95 -23.996 -6.640 31.072 1.00 63.32 H new ATOM 0 HE2 HIS A 95 -22.014 -8.246 31.072 1.00 11.23 H new ATOM 1522 N SER A 96 -20.963 -3.667 28.882 1.00 4.40 N ATOM 1523 CA SER A 96 -21.326 -2.652 29.872 1.00 54.23 C ATOM 1524 C SER A 96 -21.061 -1.251 29.348 1.00 3.24 C ATOM 1525 O SER A 96 -21.876 -0.337 29.453 1.00 11.42 O ATOM 1526 CB SER A 96 -20.550 -2.853 31.195 1.00 64.20 C ATOM 1527 OG SER A 96 -20.946 -1.944 32.223 1.00 51.33 O ATOM 0 H SER A 96 -20.184 -4.257 29.174 1.00 4.40 H new ATOM 0 HA SER A 96 -22.393 -2.766 30.064 1.00 54.23 H new ATOM 0 HB2 SER A 96 -20.699 -3.874 31.545 1.00 64.20 H new ATOM 0 HB3 SER A 96 -19.483 -2.734 31.005 1.00 64.20 H new ATOM 0 HG SER A 96 -20.424 -2.119 33.034 1.00 51.33 H new ATOM 1533 N CYS A 97 -19.892 -1.072 28.709 1.00 60.51 N ATOM 1534 CA CYS A 97 -19.487 0.148 28.049 1.00 53.30 C ATOM 1535 C CYS A 97 -20.314 0.509 26.840 1.00 24.41 C ATOM 1536 O CYS A 97 -20.539 1.685 26.577 1.00 2.42 O ATOM 1537 CB CYS A 97 -17.988 0.130 27.696 1.00 34.32 C ATOM 1538 SG CYS A 97 -16.864 0.566 29.048 1.00 71.41 S ATOM 0 H CYS A 97 -19.189 -1.808 28.645 1.00 60.51 H new ATOM 0 HA CYS A 97 -19.672 0.934 28.781 1.00 53.30 H new ATOM 0 HB2 CYS A 97 -17.729 -0.866 27.338 1.00 34.32 H new ATOM 0 HB3 CYS A 97 -17.819 0.820 26.869 1.00 34.32 H new ATOM 1543 N GLU A 98 -20.826 -0.487 26.087 1.00 65.41 N ATOM 1544 CA GLU A 98 -21.631 -0.294 24.882 1.00 51.31 C ATOM 1545 C GLU A 98 -22.920 0.453 25.162 1.00 33.23 C ATOM 1546 O GLU A 98 -23.499 1.089 24.290 1.00 3.22 O ATOM 1547 CB GLU A 98 -21.962 -1.665 24.247 1.00 11.34 C ATOM 1548 CG GLU A 98 -20.707 -2.364 23.677 1.00 40.04 C ATOM 1549 CD GLU A 98 -20.346 -1.919 22.259 1.00 2.22 C ATOM 1550 OE1 GLU A 98 -20.307 -2.809 21.370 1.00 64.43 O ATOM 1551 OE2 GLU A 98 -20.104 -0.704 22.049 1.00 51.22 O ATOM 0 H GLU A 98 -20.682 -1.471 26.314 1.00 65.41 H new ATOM 0 HA GLU A 98 -21.040 0.310 24.194 1.00 51.31 H new ATOM 0 HB2 GLU A 98 -22.425 -2.308 24.996 1.00 11.34 H new ATOM 0 HB3 GLU A 98 -22.692 -1.527 23.450 1.00 11.34 H new ATOM 0 HG2 GLU A 98 -19.862 -2.167 24.336 1.00 40.04 H new ATOM 0 HG3 GLU A 98 -20.869 -3.442 23.680 1.00 40.04 H new ATOM 1558 N LYS A 99 -23.385 0.373 26.418 1.00 13.01 N ATOM 1559 CA LYS A 99 -24.581 1.000 26.926 1.00 12.31 C ATOM 1560 C LYS A 99 -24.343 2.485 27.123 1.00 12.50 C ATOM 1561 O LYS A 99 -25.223 3.311 26.893 1.00 30.24 O ATOM 1562 CB LYS A 99 -24.927 0.394 28.307 1.00 34.24 C ATOM 1563 CG LYS A 99 -25.203 -1.118 28.288 1.00 73.50 C ATOM 1564 CD LYS A 99 -25.141 -1.731 29.702 1.00 72.00 C ATOM 1565 CE LYS A 99 -26.432 -1.632 30.517 1.00 55.21 C ATOM 1566 NZ LYS A 99 -27.487 -2.478 29.922 1.00 40.44 N ATOM 0 H LYS A 99 -22.898 -0.165 27.135 1.00 13.01 H new ATOM 0 HA LYS A 99 -25.390 0.838 26.214 1.00 12.31 H new ATOM 0 HB2 LYS A 99 -24.103 0.592 28.993 1.00 34.24 H new ATOM 0 HB3 LYS A 99 -25.803 0.906 28.705 1.00 34.24 H new ATOM 0 HG2 LYS A 99 -26.186 -1.302 27.855 1.00 73.50 H new ATOM 0 HG3 LYS A 99 -24.474 -1.612 27.646 1.00 73.50 H new ATOM 0 HD2 LYS A 99 -24.868 -2.782 29.612 1.00 72.00 H new ATOM 0 HD3 LYS A 99 -24.342 -1.240 30.258 1.00 72.00 H new ATOM 0 HE2 LYS A 99 -26.245 -1.943 31.545 1.00 55.21 H new ATOM 0 HE3 LYS A 99 -26.767 -0.595 30.554 1.00 55.21 H new ATOM 0 HZ1 LYS A 99 -28.274 -2.575 30.594 1.00 40.44 H new ATOM 0 HZ2 LYS A 99 -27.833 -2.037 29.046 1.00 40.44 H new ATOM 0 HZ3 LYS A 99 -27.098 -3.418 29.706 1.00 40.44 H new ATOM 1580 N VAL A 100 -23.133 2.831 27.629 1.00 73.43 N ATOM 1581 CA VAL A 100 -22.835 4.144 28.167 1.00 35.12 C ATOM 1582 C VAL A 100 -22.164 5.022 27.134 1.00 22.14 C ATOM 1583 O VAL A 100 -22.317 6.242 27.147 1.00 21.34 O ATOM 1584 CB VAL A 100 -21.980 4.090 29.437 1.00 71.43 C ATOM 1585 CG1 VAL A 100 -22.738 3.249 30.474 1.00 42.33 C ATOM 1586 CG2 VAL A 100 -20.566 3.539 29.216 1.00 24.24 C ATOM 0 H VAL A 100 -22.343 2.187 27.667 1.00 73.43 H new ATOM 0 HA VAL A 100 -23.797 4.579 28.439 1.00 35.12 H new ATOM 0 HB VAL A 100 -21.828 5.111 29.786 1.00 71.43 H new ATOM 0 HG11 VAL A 100 -22.154 3.191 31.393 1.00 42.33 H new ATOM 0 HG12 VAL A 100 -23.701 3.713 30.685 1.00 42.33 H new ATOM 0 HG13 VAL A 100 -22.898 2.245 30.082 1.00 42.33 H new ATOM 0 HG21 VAL A 100 -20.026 3.534 30.163 1.00 24.24 H new ATOM 0 HG22 VAL A 100 -20.628 2.522 28.828 1.00 24.24 H new ATOM 0 HG23 VAL A 100 -20.038 4.169 28.500 1.00 24.24 H new ATOM 1596 N ILE A 101 -21.407 4.414 26.194 1.00 52.42 N ATOM 1597 CA ILE A 101 -20.821 5.128 25.073 1.00 5.02 C ATOM 1598 C ILE A 101 -21.837 5.549 24.030 1.00 31.35 C ATOM 1599 O ILE A 101 -22.889 4.940 23.845 1.00 33.13 O ATOM 1600 CB ILE A 101 -19.716 4.368 24.354 1.00 53.32 C ATOM 1601 CG1 ILE A 101 -20.169 3.025 23.732 1.00 33.21 C ATOM 1602 CG2 ILE A 101 -18.530 4.179 25.319 1.00 73.42 C ATOM 1603 CD1 ILE A 101 -19.686 2.858 22.293 1.00 32.24 C ATOM 0 H ILE A 101 -21.194 3.416 26.204 1.00 52.42 H new ATOM 0 HA ILE A 101 -20.392 6.008 25.553 1.00 5.02 H new ATOM 0 HB ILE A 101 -19.410 4.970 23.499 1.00 53.32 H new ATOM 0 HG12 ILE A 101 -19.791 2.201 24.337 1.00 33.21 H new ATOM 0 HG13 ILE A 101 -21.257 2.965 23.757 1.00 33.21 H new ATOM 0 HG21 ILE A 101 -17.732 3.635 24.813 1.00 73.42 H new ATOM 0 HG22 ILE A 101 -18.160 5.154 25.636 1.00 73.42 H new ATOM 0 HG23 ILE A 101 -18.857 3.614 26.192 1.00 73.42 H new ATOM 0 HD11 ILE A 101 -20.030 1.900 21.903 1.00 32.24 H new ATOM 0 HD12 ILE A 101 -20.086 3.665 21.679 1.00 32.24 H new ATOM 0 HD13 ILE A 101 -18.597 2.889 22.269 1.00 32.24 H new ATOM 1615 N THR A 102 -21.513 6.620 23.269 1.00 61.12 N ATOM 1616 CA THR A 102 -22.228 6.921 22.040 1.00 73.54 C ATOM 1617 C THR A 102 -21.979 5.868 20.981 1.00 14.42 C ATOM 1618 O THR A 102 -20.848 5.629 20.556 1.00 42.43 O ATOM 1619 CB THR A 102 -21.911 8.297 21.463 1.00 71.31 C ATOM 1620 OG1 THR A 102 -22.293 9.312 22.381 1.00 71.34 O ATOM 1621 CG2 THR A 102 -22.617 8.553 20.116 1.00 20.41 C ATOM 0 H THR A 102 -20.765 7.276 23.495 1.00 61.12 H new ATOM 0 HA THR A 102 -23.281 6.922 22.323 1.00 73.54 H new ATOM 0 HB THR A 102 -20.835 8.322 21.289 1.00 71.31 H new ATOM 0 HG1 THR A 102 -22.084 10.191 22.002 1.00 71.34 H new ATOM 0 HG21 THR A 102 -22.356 9.547 19.751 1.00 20.41 H new ATOM 0 HG22 THR A 102 -22.298 7.805 19.390 1.00 20.41 H new ATOM 0 HG23 THR A 102 -23.696 8.489 20.253 1.00 20.41 H new ATOM 1629 N ILE A 103 -23.091 5.271 20.508 1.00 35.20 N ATOM 1630 CA ILE A 103 -23.225 4.352 19.423 1.00 51.21 C ATOM 1631 C ILE A 103 -23.782 5.187 18.330 1.00 42.44 C ATOM 1632 O ILE A 103 -24.738 5.939 18.519 1.00 64.53 O ATOM 1633 CB ILE A 103 -24.185 3.196 19.649 1.00 22.40 C ATOM 1634 CG1 ILE A 103 -23.704 2.331 20.832 1.00 33.32 C ATOM 1635 CG2 ILE A 103 -24.437 2.400 18.333 1.00 74.41 C ATOM 1636 CD1 ILE A 103 -24.601 1.124 21.066 1.00 14.33 C ATOM 0 H ILE A 103 -23.996 5.458 20.940 1.00 35.20 H new ATOM 0 HA ILE A 103 -22.259 3.881 19.241 1.00 51.21 H new ATOM 0 HB ILE A 103 -25.163 3.585 19.932 1.00 22.40 H new ATOM 0 HG12 ILE A 103 -22.685 1.993 20.642 1.00 33.32 H new ATOM 0 HG13 ILE A 103 -23.674 2.940 21.736 1.00 33.32 H new ATOM 0 HG21 ILE A 103 -25.128 1.580 18.530 1.00 74.41 H new ATOM 0 HG22 ILE A 103 -24.866 3.064 17.583 1.00 74.41 H new ATOM 0 HG23 ILE A 103 -23.493 1.998 17.964 1.00 74.41 H new ATOM 0 HD11 ILE A 103 -24.221 0.546 21.909 1.00 14.33 H new ATOM 0 HD12 ILE A 103 -25.614 1.461 21.284 1.00 14.33 H new ATOM 0 HD13 ILE A 103 -24.611 0.499 20.173 1.00 14.33 H new ATOM 1648 N VAL A 104 -23.176 5.071 17.151 1.00 54.03 N ATOM 1649 CA VAL A 104 -23.630 5.809 16.020 1.00 51.25 C ATOM 1650 C VAL A 104 -24.173 4.795 15.043 1.00 64.30 C ATOM 1651 O VAL A 104 -23.502 3.839 14.661 1.00 21.10 O ATOM 1652 CB VAL A 104 -22.526 6.527 15.341 1.00 0.44 C ATOM 1653 CG1 VAL A 104 -23.017 7.428 14.251 1.00 75.10 C ATOM 1654 CG2 VAL A 104 -21.604 7.297 16.273 1.00 64.54 C ATOM 0 H VAL A 104 -22.372 4.469 16.974 1.00 54.03 H new ATOM 0 HA VAL A 104 -24.365 6.545 16.346 1.00 51.25 H new ATOM 0 HB VAL A 104 -21.928 5.728 14.902 1.00 0.44 H new ATOM 0 HG11 VAL A 104 -22.169 7.931 13.785 1.00 75.10 H new ATOM 0 HG12 VAL A 104 -23.546 6.838 13.502 1.00 75.10 H new ATOM 0 HG13 VAL A 104 -23.694 8.172 14.671 1.00 75.10 H new ATOM 0 HG21 VAL A 104 -20.827 7.791 15.690 1.00 64.54 H new ATOM 0 HG22 VAL A 104 -22.180 8.046 16.818 1.00 64.54 H new ATOM 0 HG23 VAL A 104 -21.144 6.608 16.981 1.00 64.54 H new ATOM 1664 N ALA A 105 -25.409 5.017 14.588 1.00 45.53 N ATOM 1665 CA ALA A 105 -26.020 4.267 13.516 1.00 12.31 C ATOM 1666 C ALA A 105 -25.323 4.409 12.169 1.00 52.12 C ATOM 1667 O ALA A 105 -25.087 3.434 11.461 1.00 12.11 O ATOM 1668 CB ALA A 105 -27.490 4.685 13.354 1.00 31.52 C ATOM 0 H ALA A 105 -26.016 5.742 14.971 1.00 45.53 H new ATOM 0 HA ALA A 105 -25.930 3.221 13.808 1.00 12.31 H new ATOM 0 HB1 ALA A 105 -27.943 4.114 12.543 1.00 31.52 H new ATOM 0 HB2 ALA A 105 -28.028 4.489 14.281 1.00 31.52 H new ATOM 0 HB3 ALA A 105 -27.542 5.749 13.122 1.00 31.52 H new ATOM 1674 N ASP A 106 -24.965 5.658 11.805 1.00 60.11 N ATOM 1675 CA ASP A 106 -24.226 6.015 10.614 1.00 10.11 C ATOM 1676 C ASP A 106 -22.806 5.451 10.585 1.00 31.41 C ATOM 1677 O ASP A 106 -22.303 5.078 9.530 1.00 11.50 O ATOM 1678 CB ASP A 106 -24.229 7.568 10.468 1.00 22.11 C ATOM 1679 CG ASP A 106 -23.629 8.056 9.148 1.00 43.44 C ATOM 1680 OD1 ASP A 106 -22.561 8.719 9.207 1.00 12.32 O ATOM 1681 OD2 ASP A 106 -24.249 7.789 8.089 1.00 44.22 O ATOM 0 H ASP A 106 -25.203 6.471 12.373 1.00 60.11 H new ATOM 0 HA ASP A 106 -24.726 5.559 9.760 1.00 10.11 H new ATOM 0 HB2 ASP A 106 -25.254 7.931 10.549 1.00 22.11 H new ATOM 0 HB3 ASP A 106 -23.670 8.004 11.296 1.00 22.11 H new ATOM 1686 N ASP A 107 -22.109 5.465 11.739 1.00 31.51 N ATOM 1687 CA ASP A 107 -20.664 5.373 11.769 1.00 25.41 C ATOM 1688 C ASP A 107 -20.229 4.302 12.772 1.00 52.01 C ATOM 1689 O ASP A 107 -20.074 4.641 13.947 1.00 42.14 O ATOM 1690 CB ASP A 107 -20.054 6.750 12.176 1.00 71.21 C ATOM 1691 CG ASP A 107 -18.549 6.831 11.953 1.00 13.11 C ATOM 1692 OD1 ASP A 107 -17.951 7.862 12.349 1.00 61.23 O ATOM 1693 OD2 ASP A 107 -17.981 5.850 11.406 1.00 44.24 O ATOM 0 H ASP A 107 -22.541 5.540 12.660 1.00 31.51 H new ATOM 0 HA ASP A 107 -20.306 5.100 10.776 1.00 25.41 H new ATOM 0 HB2 ASP A 107 -20.542 7.539 11.604 1.00 71.21 H new ATOM 0 HB3 ASP A 107 -20.269 6.939 13.228 1.00 71.21 H new ATOM 1698 N PRO A 108 -19.948 3.049 12.427 1.00 75.22 N ATOM 1699 CA PRO A 108 -19.521 2.041 13.397 1.00 71.33 C ATOM 1700 C PRO A 108 -18.139 2.322 13.969 1.00 20.32 C ATOM 1701 O PRO A 108 -17.760 1.686 14.953 1.00 3.33 O ATOM 1702 CB PRO A 108 -19.551 0.735 12.585 1.00 14.25 C ATOM 1703 CG PRO A 108 -19.292 1.178 11.142 1.00 11.32 C ATOM 1704 CD PRO A 108 -20.039 2.509 11.067 1.00 73.22 C ATOM 0 HA PRO A 108 -20.165 2.014 14.276 1.00 71.33 H new ATOM 0 HB2 PRO A 108 -18.789 0.036 12.929 1.00 14.25 H new ATOM 0 HB3 PRO A 108 -20.513 0.230 12.679 1.00 14.25 H new ATOM 0 HG2 PRO A 108 -18.228 1.298 10.939 1.00 11.32 H new ATOM 0 HG3 PRO A 108 -19.675 0.456 10.421 1.00 11.32 H new ATOM 0 HD2 PRO A 108 -19.583 3.181 10.340 1.00 73.22 H new ATOM 0 HD3 PRO A 108 -21.076 2.367 10.763 1.00 73.22 H new ATOM 1712 N CYS A 109 -17.362 3.247 13.358 1.00 71.25 N ATOM 1713 CA CYS A 109 -16.012 3.582 13.754 1.00 23.43 C ATOM 1714 C CYS A 109 -16.001 4.270 15.111 1.00 64.51 C ATOM 1715 O CYS A 109 -15.233 3.912 16.000 1.00 43.41 O ATOM 1716 CB CYS A 109 -15.348 4.495 12.695 1.00 62.14 C ATOM 1717 SG CYS A 109 -15.284 3.703 11.051 1.00 0.44 S ATOM 0 H CYS A 109 -17.685 3.786 12.554 1.00 71.25 H new ATOM 0 HA CYS A 109 -15.443 2.655 13.830 1.00 23.43 H new ATOM 0 HB2 CYS A 109 -15.902 5.431 12.625 1.00 62.14 H new ATOM 0 HB3 CYS A 109 -14.337 4.746 13.016 1.00 62.14 H new ATOM 1722 N GLN A 110 -16.926 5.239 15.325 1.00 43.03 N ATOM 1723 CA GLN A 110 -17.170 5.871 16.612 1.00 11.24 C ATOM 1724 C GLN A 110 -17.639 4.878 17.639 1.00 43.34 C ATOM 1725 O GLN A 110 -17.092 4.848 18.734 1.00 71.31 O ATOM 1726 CB GLN A 110 -18.225 7.008 16.515 1.00 52.05 C ATOM 1727 CG GLN A 110 -17.705 8.430 16.838 1.00 53.40 C ATOM 1728 CD GLN A 110 -17.077 9.104 15.624 1.00 13.33 C ATOM 1729 OE1 GLN A 110 -17.445 10.217 15.242 1.00 11.11 O ATOM 1730 NE2 GLN A 110 -16.127 8.386 14.984 1.00 54.40 N ATOM 0 H GLN A 110 -17.526 5.598 14.583 1.00 43.03 H new ATOM 0 HA GLN A 110 -16.213 6.293 16.919 1.00 11.24 H new ATOM 0 HB2 GLN A 110 -18.638 7.012 15.506 1.00 52.05 H new ATOM 0 HB3 GLN A 110 -19.046 6.777 17.194 1.00 52.05 H new ATOM 0 HG2 GLN A 110 -18.529 9.042 17.205 1.00 53.40 H new ATOM 0 HG3 GLN A 110 -16.969 8.372 17.640 1.00 53.40 H new ATOM 0 HE21 GLN A 110 -15.856 7.469 15.338 1.00 54.40 H new ATOM 0 HE22 GLN A 110 -15.682 8.761 14.147 1.00 54.40 H new ATOM 1739 N THR A 111 -18.600 3.990 17.288 1.00 53.25 N ATOM 1740 CA THR A 111 -19.053 2.947 18.214 1.00 0.12 C ATOM 1741 C THR A 111 -17.909 2.050 18.695 1.00 15.22 C ATOM 1742 O THR A 111 -17.763 1.851 19.897 1.00 62.24 O ATOM 1743 CB THR A 111 -20.118 2.040 17.617 1.00 1.54 C ATOM 1744 OG1 THR A 111 -21.230 2.809 17.178 1.00 64.43 O ATOM 1745 CG2 THR A 111 -20.619 1.014 18.665 1.00 3.14 C ATOM 0 H THR A 111 -19.066 3.981 16.381 1.00 53.25 H new ATOM 0 HA THR A 111 -19.473 3.503 19.052 1.00 0.12 H new ATOM 0 HB THR A 111 -19.669 1.513 16.775 1.00 1.54 H new ATOM 0 HG1 THR A 111 -21.749 2.292 16.527 1.00 64.43 H new ATOM 0 HG21 THR A 111 -21.380 0.376 18.215 1.00 3.14 H new ATOM 0 HG22 THR A 111 -19.784 0.400 19.001 1.00 3.14 H new ATOM 0 HG23 THR A 111 -21.046 1.543 19.517 1.00 3.14 H new ATOM 1753 N MET A 112 -17.013 1.543 17.810 1.00 22.45 N ATOM 1754 CA MET A 112 -15.819 0.844 18.260 1.00 54.30 C ATOM 1755 C MET A 112 -14.780 1.666 19.015 1.00 75.44 C ATOM 1756 O MET A 112 -14.319 1.243 20.070 1.00 25.11 O ATOM 1757 CB MET A 112 -15.129 0.099 17.086 1.00 53.23 C ATOM 1758 CG MET A 112 -15.290 -1.434 17.161 1.00 72.52 C ATOM 1759 SD MET A 112 -14.522 -2.187 18.634 1.00 33.12 S ATOM 1760 CE MET A 112 -14.689 -3.901 18.061 1.00 64.24 C ATOM 0 H MET A 112 -17.107 1.612 16.797 1.00 22.45 H new ATOM 0 HA MET A 112 -16.214 0.146 18.998 1.00 54.30 H new ATOM 0 HB2 MET A 112 -15.544 0.456 16.144 1.00 53.23 H new ATOM 0 HB3 MET A 112 -14.068 0.347 17.081 1.00 53.23 H new ATOM 0 HG2 MET A 112 -16.352 -1.679 17.152 1.00 72.52 H new ATOM 0 HG3 MET A 112 -14.853 -1.880 16.268 1.00 72.52 H new ATOM 0 HE1 MET A 112 -14.279 -4.577 18.811 1.00 64.24 H new ATOM 0 HE2 MET A 112 -15.743 -4.131 17.903 1.00 64.24 H new ATOM 0 HE3 MET A 112 -14.146 -4.026 17.124 1.00 64.24 H new ATOM 1770 N LEU A 113 -14.394 2.869 18.533 1.00 32.43 N ATOM 1771 CA LEU A 113 -13.391 3.722 19.177 1.00 51.44 C ATOM 1772 C LEU A 113 -13.841 4.222 20.529 1.00 34.42 C ATOM 1773 O LEU A 113 -13.107 4.127 21.513 1.00 53.22 O ATOM 1774 CB LEU A 113 -13.086 4.887 18.216 1.00 13.01 C ATOM 1775 CG LEU A 113 -11.857 5.822 18.373 1.00 3.41 C ATOM 1776 CD1 LEU A 113 -12.134 7.222 17.785 1.00 74.12 C ATOM 1777 CD2 LEU A 113 -11.090 5.868 19.695 1.00 42.12 C ATOM 0 H LEU A 113 -14.778 3.271 17.678 1.00 32.43 H new ATOM 0 HA LEU A 113 -12.489 3.141 19.370 1.00 51.44 H new ATOM 0 HB2 LEU A 113 -13.017 4.453 17.218 1.00 13.01 H new ATOM 0 HB3 LEU A 113 -13.966 5.531 18.224 1.00 13.01 H new ATOM 0 HG LEU A 113 -11.117 5.295 17.771 1.00 3.41 H new ATOM 0 HD11 LEU A 113 -11.253 7.851 17.912 1.00 74.12 H new ATOM 0 HD12 LEU A 113 -12.366 7.132 16.724 1.00 74.12 H new ATOM 0 HD13 LEU A 113 -12.980 7.674 18.304 1.00 74.12 H new ATOM 0 HD21 LEU A 113 -10.266 6.577 19.613 1.00 42.12 H new ATOM 0 HD22 LEU A 113 -11.761 6.182 20.494 1.00 42.12 H new ATOM 0 HD23 LEU A 113 -10.695 4.878 19.921 1.00 42.12 H new ATOM 1789 N ASN A 114 -15.107 4.695 20.621 1.00 71.14 N ATOM 1790 CA ASN A 114 -15.702 5.170 21.861 1.00 3.12 C ATOM 1791 C ASN A 114 -15.787 4.031 22.861 1.00 10.31 C ATOM 1792 O ASN A 114 -15.484 4.202 24.041 1.00 61.32 O ATOM 1793 CB ASN A 114 -17.141 5.740 21.719 1.00 23.25 C ATOM 1794 CG ASN A 114 -17.170 7.051 20.936 1.00 30.43 C ATOM 1795 OD1 ASN A 114 -16.189 7.788 20.826 1.00 70.12 O ATOM 1796 ND2 ASN A 114 -18.371 7.360 20.376 1.00 32.12 N ATOM 0 H ASN A 114 -15.737 4.752 19.821 1.00 71.14 H new ATOM 0 HA ASN A 114 -15.049 5.980 22.186 1.00 3.12 H new ATOM 0 HB2 ASN A 114 -17.772 5.006 21.218 1.00 23.25 H new ATOM 0 HB3 ASN A 114 -17.565 5.902 22.710 1.00 23.25 H new ATOM 0 HD21 ASN A 114 -18.479 8.225 19.846 1.00 32.12 H new ATOM 0 HD22 ASN A 114 -19.163 6.727 20.486 1.00 32.12 H new ATOM 1803 N LEU A 115 -16.172 2.815 22.403 1.00 71.11 N ATOM 1804 CA LEU A 115 -16.191 1.636 23.236 1.00 63.41 C ATOM 1805 C LEU A 115 -14.826 1.257 23.717 1.00 10.12 C ATOM 1806 O LEU A 115 -14.633 0.976 24.892 1.00 3.50 O ATOM 1807 CB LEU A 115 -16.774 0.424 22.486 1.00 41.11 C ATOM 1808 CG LEU A 115 -16.837 -0.883 23.296 1.00 22.23 C ATOM 1809 CD1 LEU A 115 -15.567 -1.738 23.318 1.00 54.45 C ATOM 1810 CD2 LEU A 115 -17.458 -0.676 24.666 1.00 1.42 C ATOM 0 H LEU A 115 -16.474 2.647 21.443 1.00 71.11 H new ATOM 0 HA LEU A 115 -16.819 1.893 24.089 1.00 63.41 H new ATOM 0 HB2 LEU A 115 -17.781 0.674 22.152 1.00 41.11 H new ATOM 0 HB3 LEU A 115 -16.176 0.249 21.592 1.00 41.11 H new ATOM 0 HG LEU A 115 -17.517 -1.512 22.721 1.00 22.23 H new ATOM 0 HD11 LEU A 115 -15.739 -2.630 23.921 1.00 54.45 H new ATOM 0 HD12 LEU A 115 -15.309 -2.032 22.301 1.00 54.45 H new ATOM 0 HD13 LEU A 115 -14.748 -1.162 23.748 1.00 54.45 H new ATOM 0 HD21 LEU A 115 -17.482 -1.625 25.202 1.00 1.42 H new ATOM 0 HD22 LEU A 115 -16.865 0.044 25.229 1.00 1.42 H new ATOM 0 HD23 LEU A 115 -18.474 -0.298 24.552 1.00 1.42 H new ATOM 1822 N ALA A 116 -13.840 1.257 22.809 1.00 33.22 N ATOM 1823 CA ALA A 116 -12.485 0.820 23.061 1.00 63.10 C ATOM 1824 C ALA A 116 -11.827 1.691 24.099 1.00 32.44 C ATOM 1825 O ALA A 116 -11.148 1.207 25.007 1.00 42.24 O ATOM 1826 CB ALA A 116 -11.641 0.835 21.773 1.00 10.54 C ATOM 0 H ALA A 116 -13.982 1.575 21.850 1.00 33.22 H new ATOM 0 HA ALA A 116 -12.540 -0.204 23.431 1.00 63.10 H new ATOM 0 HB1 ALA A 116 -10.628 0.501 21.998 1.00 10.54 H new ATOM 0 HB2 ALA A 116 -12.088 0.167 21.037 1.00 10.54 H new ATOM 0 HB3 ALA A 116 -11.608 1.848 21.371 1.00 10.54 H new ATOM 1832 N MET A 117 -12.051 3.022 23.991 1.00 42.55 N ATOM 1833 CA MET A 117 -11.523 3.966 24.939 1.00 54.11 C ATOM 1834 C MET A 117 -12.268 3.869 26.284 1.00 32.43 C ATOM 1835 O MET A 117 -11.660 4.100 27.324 1.00 74.35 O ATOM 1836 CB MET A 117 -11.485 5.399 24.305 1.00 71.01 C ATOM 1837 CG MET A 117 -12.824 6.142 24.191 1.00 35.31 C ATOM 1838 SD MET A 117 -12.659 7.797 23.452 1.00 34.25 S ATOM 1839 CE MET A 117 -14.315 8.389 23.905 1.00 25.11 C ATOM 0 H MET A 117 -12.601 3.444 23.243 1.00 42.55 H new ATOM 0 HA MET A 117 -10.488 3.722 25.178 1.00 54.11 H new ATOM 0 HB2 MET A 117 -10.805 6.013 24.895 1.00 71.01 H new ATOM 0 HB3 MET A 117 -11.056 5.317 23.306 1.00 71.01 H new ATOM 0 HG2 MET A 117 -13.512 5.549 23.589 1.00 35.31 H new ATOM 0 HG3 MET A 117 -13.267 6.236 25.183 1.00 35.31 H new ATOM 0 HE1 MET A 117 -14.637 9.148 23.193 1.00 25.11 H new ATOM 0 HE2 MET A 117 -15.017 7.555 23.889 1.00 25.11 H new ATOM 0 HE3 MET A 117 -14.286 8.819 24.906 1.00 25.11 H new ATOM 1849 N CYS A 118 -13.578 3.466 26.317 1.00 1.11 N ATOM 1850 CA CYS A 118 -14.282 3.082 27.557 1.00 43.55 C ATOM 1851 C CYS A 118 -13.805 1.760 28.151 1.00 32.45 C ATOM 1852 O CYS A 118 -13.521 1.668 29.344 1.00 71.25 O ATOM 1853 CB CYS A 118 -15.827 2.991 27.368 1.00 20.11 C ATOM 1854 SG CYS A 118 -16.827 2.609 28.871 1.00 54.24 S ATOM 0 H CYS A 118 -14.161 3.403 25.482 1.00 1.11 H new ATOM 0 HA CYS A 118 -14.038 3.887 28.250 1.00 43.55 H new ATOM 0 HB2 CYS A 118 -16.176 3.939 26.960 1.00 20.11 H new ATOM 0 HB3 CYS A 118 -16.033 2.226 26.619 1.00 20.11 H new ATOM 1859 N PHE A 119 -13.657 0.701 27.323 1.00 33.01 N ATOM 1860 CA PHE A 119 -13.111 -0.584 27.727 1.00 34.43 C ATOM 1861 C PHE A 119 -11.742 -0.531 28.363 1.00 42.54 C ATOM 1862 O PHE A 119 -11.522 -1.098 29.436 1.00 53.22 O ATOM 1863 CB PHE A 119 -13.060 -1.468 26.460 1.00 61.41 C ATOM 1864 CG PHE A 119 -12.367 -2.798 26.624 1.00 43.14 C ATOM 1865 CD1 PHE A 119 -11.009 -2.884 26.260 1.00 61.24 C ATOM 1866 CD2 PHE A 119 -12.992 -3.916 27.192 1.00 24.41 C ATOM 1867 CE1 PHE A 119 -10.293 -4.069 26.439 1.00 32.04 C ATOM 1868 CE2 PHE A 119 -12.265 -5.096 27.390 1.00 71.32 C ATOM 1869 CZ PHE A 119 -10.923 -5.178 27.010 1.00 3.20 C ATOM 0 H PHE A 119 -13.924 0.732 26.339 1.00 33.01 H new ATOM 0 HA PHE A 119 -13.760 -0.984 28.506 1.00 34.43 H new ATOM 0 HB2 PHE A 119 -14.081 -1.649 26.123 1.00 61.41 H new ATOM 0 HB3 PHE A 119 -12.557 -0.911 25.669 1.00 61.41 H new ATOM 0 HD1 PHE A 119 -10.515 -2.022 25.837 1.00 61.24 H new ATOM 0 HD2 PHE A 119 -14.033 -3.868 27.477 1.00 24.41 H new ATOM 0 HE1 PHE A 119 -9.258 -4.128 26.138 1.00 32.04 H new ATOM 0 HE2 PHE A 119 -12.746 -5.951 27.841 1.00 71.32 H new ATOM 0 HZ PHE A 119 -10.374 -6.096 27.157 1.00 3.20 H new ATOM 1879 N LYS A 120 -10.797 0.191 27.730 1.00 5.13 N ATOM 1880 CA LYS A 120 -9.467 0.372 28.228 1.00 62.03 C ATOM 1881 C LYS A 120 -9.475 1.103 29.558 1.00 3.51 C ATOM 1882 O LYS A 120 -8.638 0.878 30.431 1.00 33.23 O ATOM 1883 CB LYS A 120 -8.591 1.139 27.201 1.00 21.50 C ATOM 1884 CG LYS A 120 -7.131 1.299 27.651 1.00 1.23 C ATOM 1885 CD LYS A 120 -6.241 2.090 26.679 1.00 21.22 C ATOM 1886 CE LYS A 120 -4.766 2.144 27.097 1.00 1.41 C ATOM 1887 NZ LYS A 120 -4.617 2.843 28.389 1.00 11.14 N ATOM 0 H LYS A 120 -10.965 0.664 26.842 1.00 5.13 H new ATOM 0 HA LYS A 120 -9.036 -0.617 28.383 1.00 62.03 H new ATOM 0 HB2 LYS A 120 -8.615 0.612 26.247 1.00 21.50 H new ATOM 0 HB3 LYS A 120 -9.022 2.126 27.031 1.00 21.50 H new ATOM 0 HG2 LYS A 120 -7.117 1.796 28.621 1.00 1.23 H new ATOM 0 HG3 LYS A 120 -6.699 0.309 27.794 1.00 1.23 H new ATOM 0 HD2 LYS A 120 -6.312 1.641 25.688 1.00 21.22 H new ATOM 0 HD3 LYS A 120 -6.623 3.107 26.596 1.00 21.22 H new ATOM 0 HE2 LYS A 120 -4.368 1.132 27.177 1.00 1.41 H new ATOM 0 HE3 LYS A 120 -4.184 2.656 26.331 1.00 1.41 H new ATOM 0 HZ1 LYS A 120 -3.608 2.915 28.631 1.00 11.14 H new ATOM 0 HZ2 LYS A 120 -5.024 3.797 28.316 1.00 11.14 H new ATOM 0 HZ3 LYS A 120 -5.114 2.310 29.131 1.00 11.14 H new ATOM 1901 N ALA A 121 -10.461 2.006 29.735 1.00 71.44 N ATOM 1902 CA ALA A 121 -10.597 2.818 30.929 1.00 25.34 C ATOM 1903 C ALA A 121 -10.820 1.968 32.173 1.00 13.15 C ATOM 1904 O ALA A 121 -10.222 2.175 33.226 1.00 73.03 O ATOM 1905 CB ALA A 121 -11.775 3.798 30.754 1.00 42.31 C ATOM 0 H ALA A 121 -11.184 2.182 29.038 1.00 71.44 H new ATOM 0 HA ALA A 121 -9.666 3.368 31.066 1.00 25.34 H new ATOM 0 HB1 ALA A 121 -11.877 4.408 31.651 1.00 42.31 H new ATOM 0 HB2 ALA A 121 -11.587 4.443 29.896 1.00 42.31 H new ATOM 0 HB3 ALA A 121 -12.695 3.236 30.591 1.00 42.31 H new ATOM 1911 N GLU A 122 -11.700 0.957 32.035 1.00 33.42 N ATOM 1912 CA GLU A 122 -12.015 -0.023 33.042 1.00 71.33 C ATOM 1913 C GLU A 122 -10.873 -0.992 33.347 1.00 13.23 C ATOM 1914 O GLU A 122 -10.534 -1.175 34.507 1.00 43.04 O ATOM 1915 CB GLU A 122 -13.303 -0.752 32.595 1.00 23.33 C ATOM 1916 CG GLU A 122 -14.569 0.154 32.597 1.00 52.31 C ATOM 1917 CD GLU A 122 -14.965 0.663 33.984 1.00 44.31 C ATOM 1918 OE1 GLU A 122 -15.313 -0.184 34.850 1.00 65.02 O ATOM 1919 OE2 GLU A 122 -14.941 1.905 34.183 1.00 11.34 O ATOM 0 H GLU A 122 -12.224 0.812 31.172 1.00 33.42 H new ATOM 0 HA GLU A 122 -12.175 0.488 33.991 1.00 71.33 H new ATOM 0 HB2 GLU A 122 -13.154 -1.151 31.592 1.00 23.33 H new ATOM 0 HB3 GLU A 122 -13.475 -1.603 33.254 1.00 23.33 H new ATOM 0 HG2 GLU A 122 -14.393 1.009 31.944 1.00 52.31 H new ATOM 0 HG3 GLU A 122 -15.404 -0.404 32.174 1.00 52.31 H new ATOM 1926 N ILE A 123 -10.168 -1.586 32.352 1.00 40.22 N ATOM 1927 CA ILE A 123 -9.000 -2.428 32.598 1.00 20.44 C ATOM 1928 C ILE A 123 -7.820 -1.695 33.210 1.00 60.44 C ATOM 1929 O ILE A 123 -7.009 -2.302 33.903 1.00 22.14 O ATOM 1930 CB ILE A 123 -8.543 -3.214 31.367 1.00 60.41 C ATOM 1931 CG1 ILE A 123 -8.023 -2.302 30.242 1.00 51.22 C ATOM 1932 CG2 ILE A 123 -9.695 -4.115 30.877 1.00 41.04 C ATOM 1933 CD1 ILE A 123 -7.645 -3.007 28.936 1.00 21.41 C ATOM 0 H ILE A 123 -10.403 -1.487 31.364 1.00 40.22 H new ATOM 0 HA ILE A 123 -9.360 -3.140 33.341 1.00 20.44 H new ATOM 0 HB ILE A 123 -7.698 -3.838 31.659 1.00 60.41 H new ATOM 0 HG12 ILE A 123 -8.786 -1.556 30.023 1.00 51.22 H new ATOM 0 HG13 ILE A 123 -7.149 -1.765 30.610 1.00 51.22 H new ATOM 0 HG21 ILE A 123 -9.371 -4.675 30.000 1.00 41.04 H new ATOM 0 HG22 ILE A 123 -9.975 -4.810 31.669 1.00 41.04 H new ATOM 0 HG23 ILE A 123 -10.554 -3.497 30.616 1.00 41.04 H new ATOM 0 HD11 ILE A 123 -7.292 -2.271 28.214 1.00 21.41 H new ATOM 0 HD12 ILE A 123 -6.855 -3.733 29.130 1.00 21.41 H new ATOM 0 HD13 ILE A 123 -8.518 -3.520 28.533 1.00 21.41 H new ATOM 1945 N HIS A 124 -7.722 -0.358 33.019 1.00 2.41 N ATOM 1946 CA HIS A 124 -6.733 0.490 33.661 1.00 51.22 C ATOM 1947 C HIS A 124 -6.931 0.539 35.182 1.00 11.45 C ATOM 1948 O HIS A 124 -5.977 0.729 35.937 1.00 42.40 O ATOM 1949 CB HIS A 124 -6.771 1.936 33.098 1.00 43.41 C ATOM 1950 CG HIS A 124 -5.507 2.723 33.337 1.00 55.22 C ATOM 1951 ND1 HIS A 124 -4.930 2.894 34.564 1.00 23.33 N ATOM 1952 CD2 HIS A 124 -4.678 3.289 32.432 1.00 50.12 C ATOM 1953 CE1 HIS A 124 -3.785 3.536 34.411 1.00 5.24 C ATOM 1954 NE2 HIS A 124 -3.609 3.785 33.125 1.00 44.35 N ATOM 0 H HIS A 124 -8.348 0.155 32.399 1.00 2.41 H new ATOM 0 HA HIS A 124 -5.761 0.048 33.444 1.00 51.22 H new ATOM 0 HB2 HIS A 124 -6.962 1.892 32.026 1.00 43.41 H new ATOM 0 HB3 HIS A 124 -7.608 2.468 33.549 1.00 43.41 H new ATOM 0 HD2 HIS A 124 -4.831 3.340 31.364 1.00 50.12 H new ATOM 0 HE1 HIS A 124 -3.106 3.811 35.205 1.00 5.24 H new ATOM 0 HE2 HIS A 124 -2.808 4.267 32.717 1.00 44.35 H new ATOM 1963 N LYS A 125 -8.198 0.447 35.666 1.00 55.04 N ATOM 1964 CA LYS A 125 -8.544 0.553 37.078 1.00 12.43 C ATOM 1965 C LYS A 125 -8.193 -0.709 37.865 1.00 74.32 C ATOM 1966 O LYS A 125 -7.988 -0.678 39.078 1.00 4.53 O ATOM 1967 CB LYS A 125 -10.061 0.892 37.255 1.00 40.13 C ATOM 1968 CG LYS A 125 -11.037 -0.276 37.517 1.00 51.13 C ATOM 1969 CD LYS A 125 -12.517 0.141 37.507 1.00 22.40 C ATOM 1970 CE LYS A 125 -13.448 -1.035 37.803 1.00 72.12 C ATOM 1971 NZ LYS A 125 -14.855 -0.607 37.678 1.00 35.30 N ATOM 0 H LYS A 125 -9.007 0.295 35.064 1.00 55.04 H new ATOM 0 HA LYS A 125 -7.944 1.367 37.485 1.00 12.43 H new ATOM 0 HB2 LYS A 125 -10.152 1.596 38.082 1.00 40.13 H new ATOM 0 HB3 LYS A 125 -10.395 1.411 36.357 1.00 40.13 H new ATOM 0 HG2 LYS A 125 -10.880 -1.045 36.761 1.00 51.13 H new ATOM 0 HG3 LYS A 125 -10.802 -0.725 38.482 1.00 51.13 H new ATOM 0 HD2 LYS A 125 -12.677 0.925 38.247 1.00 22.40 H new ATOM 0 HD3 LYS A 125 -12.767 0.565 36.534 1.00 22.40 H new ATOM 0 HE2 LYS A 125 -13.245 -1.853 37.112 1.00 72.12 H new ATOM 0 HE3 LYS A 125 -13.262 -1.413 38.808 1.00 72.12 H new ATOM 0 HZ1 LYS A 125 -15.478 -1.348 38.058 1.00 35.30 H new ATOM 0 HZ2 LYS A 125 -14.999 0.274 38.212 1.00 35.30 H new ATOM 0 HZ3 LYS A 125 -15.081 -0.445 36.676 1.00 35.30 H new ATOM 1985 N LEU A 126 -8.173 -1.863 37.163 1.00 11.13 N ATOM 1986 CA LEU A 126 -8.085 -3.210 37.695 1.00 63.44 C ATOM 1987 C LEU A 126 -6.748 -3.580 38.315 1.00 55.41 C ATOM 1988 O LEU A 126 -5.686 -3.060 37.988 1.00 12.45 O ATOM 1989 CB LEU A 126 -8.454 -4.257 36.605 1.00 1.44 C ATOM 1990 CG LEU A 126 -9.928 -4.168 36.141 1.00 73.50 C ATOM 1991 CD1 LEU A 126 -10.172 -4.893 34.810 1.00 23.34 C ATOM 1992 CD2 LEU A 126 -10.907 -4.687 37.205 1.00 42.11 C ATOM 0 H LEU A 126 -8.222 -1.861 36.144 1.00 11.13 H new ATOM 0 HA LEU A 126 -8.806 -3.225 38.512 1.00 63.44 H new ATOM 0 HB2 LEU A 126 -7.801 -4.119 35.743 1.00 1.44 H new ATOM 0 HB3 LEU A 126 -8.263 -5.257 36.993 1.00 1.44 H new ATOM 0 HG LEU A 126 -10.119 -3.106 35.988 1.00 73.50 H new ATOM 0 HD11 LEU A 126 -11.222 -4.799 34.532 1.00 23.34 H new ATOM 0 HD12 LEU A 126 -9.549 -4.448 34.034 1.00 23.34 H new ATOM 0 HD13 LEU A 126 -9.918 -5.948 34.918 1.00 23.34 H new ATOM 0 HD21 LEU A 126 -11.928 -4.604 36.832 1.00 42.11 H new ATOM 0 HD22 LEU A 126 -10.685 -5.731 37.425 1.00 42.11 H new ATOM 0 HD23 LEU A 126 -10.804 -4.095 38.114 1.00 42.11 H new ATOM 2004 N ASP A 127 -6.805 -4.535 39.271 1.00 24.01 N ATOM 2005 CA ASP A 127 -5.672 -5.002 40.047 1.00 43.41 C ATOM 2006 C ASP A 127 -4.899 -6.104 39.315 1.00 2.51 C ATOM 2007 O ASP A 127 -3.900 -6.608 39.821 1.00 74.32 O ATOM 2008 CB ASP A 127 -6.195 -5.479 41.436 1.00 60.25 C ATOM 2009 CG ASP A 127 -5.085 -5.756 42.453 1.00 74.41 C ATOM 2010 OD1 ASP A 127 -5.025 -6.909 42.953 1.00 23.53 O ATOM 2011 OD2 ASP A 127 -4.325 -4.803 42.762 1.00 2.54 O ATOM 0 H ASP A 127 -7.675 -5.006 39.519 1.00 24.01 H new ATOM 0 HA ASP A 127 -4.962 -4.187 40.188 1.00 43.41 H new ATOM 0 HB2 ASP A 127 -6.865 -4.721 41.841 1.00 60.25 H new ATOM 0 HB3 ASP A 127 -6.785 -6.386 41.300 1.00 60.25 H new ATOM 2016 N TRP A 128 -5.345 -6.497 38.104 1.00 62.43 N ATOM 2017 CA TRP A 128 -4.673 -7.479 37.274 1.00 73.15 C ATOM 2018 C TRP A 128 -4.525 -6.865 35.898 1.00 45.04 C ATOM 2019 O TRP A 128 -5.296 -5.982 35.525 1.00 74.30 O ATOM 2020 CB TRP A 128 -5.451 -8.828 37.175 1.00 34.11 C ATOM 2021 CG TRP A 128 -6.813 -8.701 36.520 1.00 60.42 C ATOM 2022 CD1 TRP A 128 -7.922 -8.114 37.045 1.00 51.33 C ATOM 2023 CD2 TRP A 128 -7.130 -9.040 35.158 1.00 52.22 C ATOM 2024 NE1 TRP A 128 -8.900 -7.999 36.084 1.00 72.42 N ATOM 2025 CE2 TRP A 128 -8.437 -8.570 34.917 1.00 2.11 C ATOM 2026 CE3 TRP A 128 -6.394 -9.673 34.160 1.00 70.55 C ATOM 2027 CZ2 TRP A 128 -9.026 -8.711 33.665 1.00 32.33 C ATOM 2028 CZ3 TRP A 128 -7.007 -9.860 32.913 1.00 33.20 C ATOM 2029 CH2 TRP A 128 -8.296 -9.366 32.661 1.00 45.23 C ATOM 0 H TRP A 128 -6.197 -6.126 37.682 1.00 62.43 H new ATOM 0 HA TRP A 128 -3.709 -7.722 37.721 1.00 73.15 H new ATOM 0 HB2 TRP A 128 -4.852 -9.542 36.610 1.00 34.11 H new ATOM 0 HB3 TRP A 128 -5.577 -9.239 38.177 1.00 34.11 H new ATOM 0 HD1 TRP A 128 -8.021 -7.785 38.069 1.00 51.33 H new ATOM 0 HE1 TRP A 128 -9.814 -7.565 36.213 1.00 72.42 H new ATOM 0 HE3 TRP A 128 -5.384 -10.009 34.341 1.00 70.55 H new ATOM 0 HZ2 TRP A 128 -10.017 -8.327 33.471 1.00 32.33 H new ATOM 0 HZ3 TRP A 128 -6.479 -10.392 32.135 1.00 33.20 H new ATOM 0 HH2 TRP A 128 -8.732 -9.492 31.681 1.00 45.23 H new ATOM 2040 N ALA A 129 -3.526 -7.315 35.111 1.00 54.20 N ATOM 2041 CA ALA A 129 -3.305 -6.794 33.784 1.00 12.41 C ATOM 2042 C ALA A 129 -3.546 -7.862 32.722 1.00 53.53 C ATOM 2043 O ALA A 129 -2.823 -8.860 32.716 1.00 22.34 O ATOM 2044 CB ALA A 129 -1.870 -6.261 33.645 1.00 14.32 C ATOM 0 H ALA A 129 -2.867 -8.042 35.391 1.00 54.20 H new ATOM 0 HA ALA A 129 -4.014 -5.980 33.632 1.00 12.41 H new ATOM 0 HB1 ALA A 129 -1.722 -5.872 32.637 1.00 14.32 H new ATOM 0 HB2 ALA A 129 -1.706 -5.463 34.369 1.00 14.32 H new ATOM 0 HB3 ALA A 129 -1.162 -7.069 33.829 1.00 14.32 H new ATOM 2050 N PRO A 130 -4.497 -7.740 31.793 1.00 22.51 N ATOM 2051 CA PRO A 130 -4.425 -8.432 30.506 1.00 63.22 C ATOM 2052 C PRO A 130 -3.304 -7.818 29.675 1.00 24.31 C ATOM 2053 O PRO A 130 -3.045 -6.619 29.767 1.00 1.13 O ATOM 2054 CB PRO A 130 -5.807 -8.162 29.892 1.00 14.13 C ATOM 2055 CG PRO A 130 -6.241 -6.811 30.469 1.00 44.23 C ATOM 2056 CD PRO A 130 -5.626 -6.799 31.865 1.00 63.33 C ATOM 0 HA PRO A 130 -4.208 -9.498 30.572 1.00 63.22 H new ATOM 0 HB2 PRO A 130 -5.755 -8.128 28.804 1.00 14.13 H new ATOM 0 HB3 PRO A 130 -6.515 -8.948 30.153 1.00 14.13 H new ATOM 0 HG2 PRO A 130 -5.876 -5.981 29.864 1.00 44.23 H new ATOM 0 HG3 PRO A 130 -7.327 -6.723 30.509 1.00 44.23 H new ATOM 0 HD2 PRO A 130 -5.289 -5.799 32.139 1.00 63.33 H new ATOM 0 HD3 PRO A 130 -6.351 -7.109 32.618 1.00 63.33 H new ATOM 2064 N THR A 131 -2.630 -8.624 28.830 1.00 21.20 N ATOM 2065 CA THR A 131 -1.788 -8.105 27.761 1.00 24.41 C ATOM 2066 C THR A 131 -2.667 -7.703 26.599 1.00 22.44 C ATOM 2067 O THR A 131 -3.846 -8.050 26.535 1.00 45.34 O ATOM 2068 CB THR A 131 -0.666 -9.067 27.345 1.00 62.51 C ATOM 2069 OG1 THR A 131 0.221 -8.479 26.399 1.00 35.02 O ATOM 2070 CG2 THR A 131 -1.210 -10.395 26.789 1.00 53.03 C ATOM 0 H THR A 131 -2.661 -9.642 28.878 1.00 21.20 H new ATOM 0 HA THR A 131 -1.262 -7.227 28.136 1.00 24.41 H new ATOM 0 HB THR A 131 -0.109 -9.280 28.257 1.00 62.51 H new ATOM 0 HG1 THR A 131 0.921 -9.123 26.162 1.00 35.02 H new ATOM 0 HG21 THR A 131 -0.377 -11.041 26.509 1.00 53.03 H new ATOM 0 HG22 THR A 131 -1.812 -10.889 27.551 1.00 53.03 H new ATOM 0 HG23 THR A 131 -1.826 -10.197 25.912 1.00 53.03 H new ATOM 2078 N LEU A 132 -2.116 -6.947 25.628 1.00 63.31 N ATOM 2079 CA LEU A 132 -2.856 -6.402 24.502 1.00 62.51 C ATOM 2080 C LEU A 132 -3.452 -7.497 23.651 1.00 31.14 C ATOM 2081 O LEU A 132 -4.557 -7.348 23.140 1.00 21.42 O ATOM 2082 CB LEU A 132 -2.021 -5.457 23.591 1.00 1.31 C ATOM 2083 CG LEU A 132 -1.740 -4.042 24.160 1.00 32.32 C ATOM 2084 CD1 LEU A 132 -3.040 -3.259 24.421 1.00 63.51 C ATOM 2085 CD2 LEU A 132 -0.823 -4.017 25.395 1.00 10.32 C ATOM 0 H LEU A 132 -1.126 -6.701 25.616 1.00 63.31 H new ATOM 0 HA LEU A 132 -3.646 -5.804 24.957 1.00 62.51 H new ATOM 0 HB2 LEU A 132 -1.066 -5.938 23.379 1.00 1.31 H new ATOM 0 HB3 LEU A 132 -2.541 -5.348 22.639 1.00 1.31 H new ATOM 0 HG LEU A 132 -1.181 -3.537 23.372 1.00 32.32 H new ATOM 0 HD11 LEU A 132 -2.798 -2.274 24.819 1.00 63.51 H new ATOM 0 HD12 LEU A 132 -3.591 -3.148 23.487 1.00 63.51 H new ATOM 0 HD13 LEU A 132 -3.653 -3.801 25.142 1.00 63.51 H new ATOM 0 HD21 LEU A 132 -0.683 -2.987 25.723 1.00 10.32 H new ATOM 0 HD22 LEU A 132 -1.279 -4.595 26.199 1.00 10.32 H new ATOM 0 HD23 LEU A 132 0.143 -4.451 25.139 1.00 10.32 H new ATOM 2097 N ASP A 133 -2.760 -8.654 23.537 1.00 44.12 N ATOM 2098 CA ASP A 133 -3.206 -9.781 22.730 1.00 43.41 C ATOM 2099 C ASP A 133 -4.568 -10.311 23.178 1.00 22.34 C ATOM 2100 O ASP A 133 -5.428 -10.578 22.353 1.00 32.43 O ATOM 2101 CB ASP A 133 -2.192 -10.957 22.802 1.00 54.11 C ATOM 2102 CG ASP A 133 -0.885 -10.613 22.097 1.00 41.13 C ATOM 2103 OD1 ASP A 133 -0.129 -9.774 22.653 1.00 43.11 O ATOM 2104 OD2 ASP A 133 -0.623 -11.201 21.018 1.00 65.34 O ATOM 0 H ASP A 133 -1.872 -8.819 24.011 1.00 44.12 H new ATOM 0 HA ASP A 133 -3.283 -9.405 21.710 1.00 43.41 H new ATOM 0 HB2 ASP A 133 -1.990 -11.201 23.845 1.00 54.11 H new ATOM 0 HB3 ASP A 133 -2.630 -11.845 22.346 1.00 54.11 H new ATOM 2109 N VAL A 134 -4.780 -10.435 24.499 1.00 73.24 N ATOM 2110 CA VAL A 134 -6.034 -10.783 25.158 1.00 72.10 C ATOM 2111 C VAL A 134 -6.990 -9.629 25.358 1.00 62.41 C ATOM 2112 O VAL A 134 -8.177 -9.763 25.061 1.00 22.53 O ATOM 2113 CB VAL A 134 -5.817 -11.580 26.422 1.00 13.43 C ATOM 2114 CG1 VAL A 134 -4.804 -10.913 27.312 1.00 23.35 C ATOM 2115 CG2 VAL A 134 -7.116 -11.917 27.184 1.00 52.53 C ATOM 0 H VAL A 134 -4.028 -10.284 25.171 1.00 73.24 H new ATOM 0 HA VAL A 134 -6.543 -11.434 24.447 1.00 72.10 H new ATOM 0 HB VAL A 134 -5.418 -12.543 26.104 1.00 13.43 H new ATOM 0 HG11 VAL A 134 -4.666 -11.507 28.215 1.00 23.35 H new ATOM 0 HG12 VAL A 134 -3.854 -10.830 26.784 1.00 23.35 H new ATOM 0 HG13 VAL A 134 -5.157 -9.918 27.583 1.00 23.35 H new ATOM 0 HG21 VAL A 134 -6.874 -12.490 28.079 1.00 52.53 H new ATOM 0 HG22 VAL A 134 -7.620 -10.994 27.469 1.00 52.53 H new ATOM 0 HG23 VAL A 134 -7.772 -12.505 26.542 1.00 52.53 H new ATOM 2125 N ALA A 135 -6.508 -8.448 25.819 1.00 0.04 N ATOM 2126 CA ALA A 135 -7.349 -7.289 26.054 1.00 25.14 C ATOM 2127 C ALA A 135 -7.998 -6.763 24.804 1.00 35.14 C ATOM 2128 O ALA A 135 -9.208 -6.549 24.775 1.00 15.03 O ATOM 2129 CB ALA A 135 -6.545 -6.143 26.692 1.00 54.01 C ATOM 0 H ALA A 135 -5.523 -8.291 26.033 1.00 0.04 H new ATOM 0 HA ALA A 135 -8.132 -7.635 26.729 1.00 25.14 H new ATOM 0 HB1 ALA A 135 -7.200 -5.287 26.857 1.00 54.01 H new ATOM 0 HB2 ALA A 135 -6.133 -6.474 27.645 1.00 54.01 H new ATOM 0 HB3 ALA A 135 -5.732 -5.854 26.026 1.00 54.01 H new ATOM 2135 N VAL A 136 -7.234 -6.591 23.702 1.00 11.14 N ATOM 2136 CA VAL A 136 -7.860 -6.192 22.461 1.00 74.44 C ATOM 2137 C VAL A 136 -8.462 -7.410 21.831 1.00 72.43 C ATOM 2138 O VAL A 136 -9.441 -7.316 21.103 1.00 73.13 O ATOM 2139 CB VAL A 136 -6.957 -5.518 21.435 1.00 31.13 C ATOM 2140 CG1 VAL A 136 -6.056 -4.494 22.146 1.00 4.41 C ATOM 2141 CG2 VAL A 136 -6.224 -6.433 20.434 1.00 74.14 C ATOM 0 H VAL A 136 -6.223 -6.721 23.662 1.00 11.14 H new ATOM 0 HA VAL A 136 -8.592 -5.433 22.738 1.00 74.44 H new ATOM 0 HB VAL A 136 -7.620 -4.994 20.747 1.00 31.13 H new ATOM 0 HG11 VAL A 136 -5.408 -4.010 21.415 1.00 4.41 H new ATOM 0 HG12 VAL A 136 -6.675 -3.743 22.636 1.00 4.41 H new ATOM 0 HG13 VAL A 136 -5.445 -5.003 22.891 1.00 4.41 H new ATOM 0 HG21 VAL A 136 -5.617 -5.825 19.762 1.00 74.14 H new ATOM 0 HG22 VAL A 136 -5.581 -7.125 20.977 1.00 74.14 H new ATOM 0 HG23 VAL A 136 -6.955 -6.996 19.853 1.00 74.14 H new ATOM 2151 N GLY A 137 -7.876 -8.604 22.081 1.00 33.23 N ATOM 2152 CA GLY A 137 -8.318 -9.810 21.411 1.00 64.14 C ATOM 2153 C GLY A 137 -9.727 -10.194 21.720 1.00 1.33 C ATOM 2154 O GLY A 137 -10.456 -10.558 20.809 1.00 3.03 O ATOM 0 H GLY A 137 -7.106 -8.739 22.737 1.00 33.23 H new ATOM 0 HA2 GLY A 137 -8.217 -9.673 20.334 1.00 64.14 H new ATOM 0 HA3 GLY A 137 -7.659 -10.631 21.691 1.00 64.14 H new ATOM 2158 N GLU A 138 -10.178 -10.102 22.995 1.00 73.10 N ATOM 2159 CA GLU A 138 -11.575 -10.340 23.320 1.00 64.24 C ATOM 2160 C GLU A 138 -12.525 -9.321 22.695 1.00 75.14 C ATOM 2161 O GLU A 138 -13.612 -9.690 22.249 1.00 31.55 O ATOM 2162 CB GLU A 138 -11.836 -10.441 24.843 1.00 20.31 C ATOM 2163 CG GLU A 138 -11.008 -11.596 25.441 1.00 23.20 C ATOM 2164 CD GLU A 138 -11.616 -12.161 26.715 1.00 60.32 C ATOM 2165 OE1 GLU A 138 -11.038 -11.917 27.800 1.00 51.55 O ATOM 2166 OE2 GLU A 138 -12.611 -12.919 26.582 1.00 23.31 O ATOM 0 H GLU A 138 -9.590 -9.867 23.795 1.00 73.10 H new ATOM 0 HA GLU A 138 -11.791 -11.311 22.875 1.00 64.24 H new ATOM 0 HB2 GLU A 138 -11.571 -9.502 25.329 1.00 20.31 H new ATOM 0 HB3 GLU A 138 -12.897 -10.608 25.029 1.00 20.31 H new ATOM 0 HG2 GLU A 138 -10.919 -12.393 24.703 1.00 23.20 H new ATOM 0 HG3 GLU A 138 -9.999 -11.242 25.652 1.00 23.20 H new ATOM 2173 N LEU A 139 -12.125 -8.022 22.606 1.00 13.03 N ATOM 2174 CA LEU A 139 -12.865 -7.003 21.885 1.00 43.44 C ATOM 2175 C LEU A 139 -12.974 -7.278 20.433 1.00 11.40 C ATOM 2176 O LEU A 139 -14.060 -7.254 19.855 1.00 75.12 O ATOM 2177 CB LEU A 139 -12.154 -5.632 21.871 1.00 31.13 C ATOM 2178 CG LEU A 139 -12.203 -4.847 23.155 1.00 1.50 C ATOM 2179 CD1 LEU A 139 -11.322 -3.595 23.006 1.00 44.21 C ATOM 2180 CD2 LEU A 139 -13.664 -4.455 23.370 1.00 72.15 C ATOM 0 H LEU A 139 -11.272 -7.673 23.043 1.00 13.03 H new ATOM 0 HA LEU A 139 -13.821 -7.003 22.409 1.00 43.44 H new ATOM 0 HB2 LEU A 139 -11.109 -5.790 21.605 1.00 31.13 H new ATOM 0 HB3 LEU A 139 -12.595 -5.025 21.081 1.00 31.13 H new ATOM 0 HG LEU A 139 -11.835 -5.423 24.004 1.00 1.50 H new ATOM 0 HD11 LEU A 139 -11.350 -3.018 23.931 1.00 44.21 H new ATOM 0 HD12 LEU A 139 -10.295 -3.895 22.796 1.00 44.21 H new ATOM 0 HD13 LEU A 139 -11.696 -2.983 22.185 1.00 44.21 H new ATOM 0 HD21 LEU A 139 -13.755 -3.881 24.292 1.00 72.15 H new ATOM 0 HD22 LEU A 139 -14.005 -3.849 22.531 1.00 72.15 H new ATOM 0 HD23 LEU A 139 -14.275 -5.355 23.441 1.00 72.15 H new ATOM 2192 N LEU A 140 -11.809 -7.539 19.817 1.00 63.31 N ATOM 2193 CA LEU A 140 -11.784 -7.760 18.401 1.00 63.44 C ATOM 2194 C LEU A 140 -12.453 -9.080 18.018 1.00 71.45 C ATOM 2195 O LEU A 140 -13.213 -9.154 17.057 1.00 61.34 O ATOM 2196 CB LEU A 140 -10.351 -7.659 17.821 1.00 74.11 C ATOM 2197 CG LEU A 140 -9.678 -6.262 17.920 1.00 65.41 C ATOM 2198 CD1 LEU A 140 -8.373 -6.238 17.101 1.00 25.14 C ATOM 2199 CD2 LEU A 140 -10.566 -5.038 17.642 1.00 42.25 C ATOM 0 H LEU A 140 -10.903 -7.597 20.283 1.00 63.31 H new ATOM 0 HA LEU A 140 -12.369 -6.959 17.949 1.00 63.44 H new ATOM 0 HB2 LEU A 140 -9.719 -8.383 18.336 1.00 74.11 H new ATOM 0 HB3 LEU A 140 -10.383 -7.953 16.772 1.00 74.11 H new ATOM 0 HG LEU A 140 -9.454 -6.143 18.980 1.00 65.41 H new ATOM 0 HD11 LEU A 140 -7.912 -5.253 17.179 1.00 25.14 H new ATOM 0 HD12 LEU A 140 -7.687 -6.991 17.488 1.00 25.14 H new ATOM 0 HD13 LEU A 140 -8.595 -6.452 16.056 1.00 25.14 H new ATOM 0 HD21 LEU A 140 -9.974 -4.128 17.744 1.00 42.25 H new ATOM 0 HD22 LEU A 140 -10.964 -5.100 16.629 1.00 42.25 H new ATOM 0 HD23 LEU A 140 -11.390 -5.017 18.355 1.00 42.25 H new ATOM 2211 N ALA A 141 -12.248 -10.164 18.798 1.00 15.04 N ATOM 2212 CA ALA A 141 -12.905 -11.438 18.587 1.00 14.45 C ATOM 2213 C ALA A 141 -14.418 -11.364 18.671 1.00 40.02 C ATOM 2214 O ALA A 141 -15.101 -11.983 17.861 1.00 42.01 O ATOM 2215 CB ALA A 141 -12.413 -12.479 19.610 1.00 44.44 C ATOM 0 H ALA A 141 -11.612 -10.162 19.595 1.00 15.04 H new ATOM 0 HA ALA A 141 -12.642 -11.734 17.572 1.00 14.45 H new ATOM 0 HB1 ALA A 141 -12.918 -13.429 19.435 1.00 44.44 H new ATOM 0 HB2 ALA A 141 -11.337 -12.615 19.502 1.00 44.44 H new ATOM 0 HB3 ALA A 141 -12.635 -12.131 20.619 1.00 44.44 H new ATOM 2221 N ASP A 142 -14.985 -10.609 19.636 1.00 65.23 N ATOM 2222 CA ASP A 142 -16.420 -10.483 19.788 1.00 74.04 C ATOM 2223 C ASP A 142 -16.948 -9.216 19.107 1.00 31.41 C ATOM 2224 O ASP A 142 -17.900 -8.607 19.587 1.00 54.41 O ATOM 2225 CB ASP A 142 -16.752 -10.517 21.308 1.00 60.41 C ATOM 2226 CG ASP A 142 -18.234 -10.731 21.616 1.00 21.20 C ATOM 2227 OD1 ASP A 142 -18.789 -9.946 22.428 1.00 32.03 O ATOM 2228 OD2 ASP A 142 -18.802 -11.715 21.076 1.00 21.14 O ATOM 0 H ASP A 142 -14.448 -10.078 20.322 1.00 65.23 H new ATOM 0 HA ASP A 142 -16.921 -11.315 19.293 1.00 74.04 H new ATOM 0 HB2 ASP A 142 -16.175 -11.314 21.778 1.00 60.41 H new ATOM 0 HB3 ASP A 142 -16.429 -9.580 21.761 1.00 60.41 H new ATOM 2233 N THR A 143 -16.372 -8.775 17.962 1.00 25.34 N ATOM 2234 CA THR A 143 -16.893 -7.600 17.248 1.00 55.31 C ATOM 2235 C THR A 143 -18.328 -7.783 16.670 1.00 53.51 C ATOM 2236 O THR A 143 -18.602 -8.834 16.028 1.00 0.00 O ATOM 2237 CB THR A 143 -15.959 -7.092 16.138 1.00 1.12 C ATOM 2238 OG1 THR A 143 -16.464 -5.891 15.569 1.00 70.34 O ATOM 2239 CG2 THR A 143 -15.727 -8.110 15.003 1.00 73.42 C ATOM 2240 OXT THR A 143 -19.171 -6.872 16.898 1.00 0.00 O ATOM 0 H THR A 143 -15.560 -9.212 17.525 1.00 25.34 H new ATOM 0 HA THR A 143 -16.946 -6.844 18.032 1.00 55.31 H new ATOM 0 HB THR A 143 -15.000 -6.920 16.627 1.00 1.12 H new ATOM 0 HG1 THR A 143 -15.856 -5.581 14.865 1.00 70.34 H new ATOM 0 HG21 THR A 143 -15.058 -7.679 14.258 1.00 73.42 H new ATOM 0 HG22 THR A 143 -15.279 -9.015 15.412 1.00 73.42 H new ATOM 0 HG23 THR A 143 -16.680 -8.356 14.535 1.00 73.42 H new TER 2248 THR A 143