USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 954 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 84 ASN : amide:sc= 1.14 K(o=2.3,f=-5.9) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -103:sc= 1.21 (180deg=-0.19) USER MOD Set 2.1: A 16 TYR OH : rot 30:sc= -0.824 USER MOD Set 2.2: A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.104 (180deg=-0.601) USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.16 (180deg=0.818) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0354 K(o=-0.035,f=-1.5) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 11 GLN : amide:sc= -0.342 K(o=-0.34,f=-1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -1.15 X(o=-1.2,f=-0.84) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 1.19 (180deg=0.925) USER MOD Single : A 40 LYS NZ :NH3+ 160:sc= 1.09 (180deg=0.406) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 47 LYS NZ :NH3+ -115:sc= 1.11 (180deg=-0.131) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-0.37) USER MOD Single : A 61 LYS NZ :NH3+ 148:sc= 0.546 (180deg=0.104) USER MOD Single : A 64 MET CE :methyl 178:sc= -0.749 (180deg=-0.834) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 140:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.358 K(o=-0.36,f=-3.1!) USER MOD Single : A 75 THR OG1 : rot 72:sc= 1.01 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 160:sc= -0.15 (180deg=-0.761) USER MOD Single : A 85 TYR OH : rot 120:sc= 0.894 USER MOD Single : A 90 HIS : no HD1:sc= -0.525 K(o=-0.52,f=0.13) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.163 K(o=-0.16,f=-6.2!) USER MOD Single : A 108 LYS NZ :NH3+ 167:sc= 0.634 (180deg=0.494) USER MOD Single : A 111 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.9!) USER MOD Single : A 112 HIS : no HD1:sc= 0.956 K(o=0.96,f=-3.6!) USER MOD Single : A 113 HIS : no HD1:sc= -0.0356 X(o=-0.036,f=-0.17) USER MOD Single : A 114 HIS : no HD1:sc= -1.68! K(o=-1.7!,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.934 -16.705 13.772 1.00 0.54 N ATOM 2 CA MET A 1 -6.028 -17.711 12.686 1.00 31.12 C ATOM 3 C MET A 1 -4.760 -17.687 11.840 1.00 73.41 C ATOM 4 O MET A 1 -4.102 -18.713 11.654 1.00 35.50 O ATOM 5 CB MET A 1 -7.249 -17.436 11.804 1.00 4.32 C ATOM 6 CG MET A 1 -8.569 -17.484 12.557 1.00 35.41 C ATOM 7 SD MET A 1 -9.985 -17.101 11.509 1.00 3.34 S ATOM 8 CE MET A 1 -9.902 -18.439 10.319 1.00 73.12 C ATOM 0 H1 MET A 1 -6.561 -16.980 14.555 1.00 0.54 H new ATOM 0 H2 MET A 1 -4.953 -16.655 14.115 1.00 0.54 H new ATOM 0 H3 MET A 1 -6.222 -15.774 13.409 1.00 0.54 H new ATOM 0 HA MET A 1 -6.138 -18.697 13.136 1.00 31.12 H new ATOM 0 HB2 MET A 1 -7.139 -16.455 11.343 1.00 4.32 H new ATOM 0 HB3 MET A 1 -7.275 -18.167 10.996 1.00 4.32 H new ATOM 0 HG2 MET A 1 -8.700 -18.476 12.989 1.00 35.41 H new ATOM 0 HG3 MET A 1 -8.535 -16.778 13.386 1.00 35.41 H new ATOM 0 HE1 MET A 1 -10.867 -18.546 9.824 1.00 73.12 H new ATOM 0 HE2 MET A 1 -9.136 -18.218 9.576 1.00 73.12 H new ATOM 0 HE3 MET A 1 -9.653 -19.368 10.832 1.00 73.12 H new ATOM 20 N ALA A 2 -4.417 -16.511 11.335 1.00 40.21 N ATOM 21 CA ALA A 2 -3.193 -16.328 10.571 1.00 0.01 C ATOM 22 C ALA A 2 -2.378 -15.181 11.153 1.00 62.24 C ATOM 23 O ALA A 2 -1.203 -15.009 10.842 1.00 13.21 O ATOM 24 CB ALA A 2 -3.518 -16.063 9.109 1.00 75.40 C ATOM 0 H ALA A 2 -4.974 -15.664 11.442 1.00 40.21 H new ATOM 0 HA ALA A 2 -2.601 -17.241 10.632 1.00 0.01 H new ATOM 0 HB1 ALA A 2 -2.593 -15.928 8.549 1.00 75.40 H new ATOM 0 HB2 ALA A 2 -4.069 -16.909 8.700 1.00 75.40 H new ATOM 0 HB3 ALA A 2 -4.125 -15.161 9.029 1.00 75.40 H new ATOM 30 N GLU A 3 -3.022 -14.402 12.008 1.00 62.10 N ATOM 31 CA GLU A 3 -2.391 -13.258 12.642 1.00 73.02 C ATOM 32 C GLU A 3 -1.926 -13.616 14.048 1.00 40.42 C ATOM 33 O GLU A 3 -2.738 -13.937 14.915 1.00 71.14 O ATOM 34 CB GLU A 3 -3.348 -12.060 12.707 1.00 15.14 C ATOM 35 CG GLU A 3 -4.695 -12.274 12.027 1.00 75.21 C ATOM 36 CD GLU A 3 -5.595 -13.238 12.780 1.00 42.32 C ATOM 37 OE1 GLU A 3 -6.220 -12.824 13.772 1.00 64.55 O ATOM 38 OE2 GLU A 3 -5.684 -14.420 12.374 1.00 25.55 O ATOM 0 H GLU A 3 -3.994 -14.545 12.281 1.00 62.10 H new ATOM 0 HA GLU A 3 -1.528 -12.981 12.036 1.00 73.02 H new ATOM 0 HB2 GLU A 3 -3.522 -11.810 13.753 1.00 15.14 H new ATOM 0 HB3 GLU A 3 -2.860 -11.199 12.250 1.00 15.14 H new ATOM 0 HG2 GLU A 3 -5.202 -11.314 11.928 1.00 75.21 H new ATOM 0 HG3 GLU A 3 -4.530 -12.653 11.018 1.00 75.21 H new ATOM 45 N LYS A 4 -0.616 -13.571 14.243 1.00 12.34 N ATOM 46 CA LYS A 4 0.005 -13.835 15.540 1.00 12.21 C ATOM 47 C LYS A 4 1.503 -13.565 15.444 1.00 74.14 C ATOM 48 O LYS A 4 2.110 -12.976 16.338 1.00 63.25 O ATOM 49 CB LYS A 4 -0.240 -15.284 15.996 1.00 62.11 C ATOM 50 CG LYS A 4 0.187 -16.328 14.976 1.00 63.22 C ATOM 51 CD LYS A 4 0.290 -17.712 15.591 1.00 62.04 C ATOM 52 CE LYS A 4 1.351 -17.757 16.680 1.00 42.33 C ATOM 53 NZ LYS A 4 1.607 -19.139 17.156 1.00 53.53 N ATOM 0 H LYS A 4 0.052 -13.350 13.505 1.00 12.34 H new ATOM 0 HA LYS A 4 -0.446 -13.174 16.280 1.00 12.21 H new ATOM 0 HB2 LYS A 4 0.298 -15.458 16.928 1.00 62.11 H new ATOM 0 HB3 LYS A 4 -1.301 -15.413 16.212 1.00 62.11 H new ATOM 0 HG2 LYS A 4 -0.530 -16.348 14.155 1.00 63.22 H new ATOM 0 HG3 LYS A 4 1.151 -16.047 14.551 1.00 63.22 H new ATOM 0 HD2 LYS A 4 -0.675 -17.999 16.009 1.00 62.04 H new ATOM 0 HD3 LYS A 4 0.531 -18.439 14.816 1.00 62.04 H new ATOM 0 HE2 LYS A 4 2.278 -17.328 16.300 1.00 42.33 H new ATOM 0 HE3 LYS A 4 1.034 -17.138 17.519 1.00 42.33 H new ATOM 0 HZ1 LYS A 4 2.336 -19.121 17.897 1.00 53.53 H new ATOM 0 HZ2 LYS A 4 0.729 -19.541 17.543 1.00 53.53 H new ATOM 0 HZ3 LYS A 4 1.935 -19.725 16.362 1.00 53.53 H new ATOM 67 N ASN A 5 2.076 -14.010 14.335 1.00 23.34 N ATOM 68 CA ASN A 5 3.481 -13.811 14.019 1.00 64.33 C ATOM 69 C ASN A 5 3.713 -14.315 12.607 1.00 33.52 C ATOM 70 O ASN A 5 3.050 -15.266 12.184 1.00 33.40 O ATOM 71 CB ASN A 5 4.381 -14.563 15.004 1.00 15.41 C ATOM 72 CG ASN A 5 5.859 -14.366 14.712 1.00 61.31 C ATOM 73 OD1 ASN A 5 6.276 -13.316 14.216 1.00 63.15 O ATOM 74 ND2 ASN A 5 6.657 -15.375 15.017 1.00 32.34 N ATOM 0 H ASN A 5 1.568 -14.528 13.618 1.00 23.34 H new ATOM 0 HA ASN A 5 3.730 -12.753 14.096 1.00 64.33 H new ATOM 0 HB2 ASN A 5 4.166 -14.225 16.018 1.00 15.41 H new ATOM 0 HB3 ASN A 5 4.146 -15.627 14.966 1.00 15.41 H new ATOM 0 HD21 ASN A 5 7.660 -15.303 14.843 1.00 32.34 H new ATOM 0 HD22 ASN A 5 6.270 -16.226 15.426 1.00 32.34 H new ATOM 81 N ALA A 6 4.623 -13.673 11.876 1.00 23.13 N ATOM 82 CA ALA A 6 4.878 -14.023 10.478 1.00 53.41 C ATOM 83 C ALA A 6 3.593 -13.909 9.657 1.00 11.14 C ATOM 84 O ALA A 6 3.361 -14.671 8.715 1.00 15.12 O ATOM 85 CB ALA A 6 5.463 -15.426 10.388 1.00 12.51 C ATOM 0 H ALA A 6 5.197 -12.907 12.228 1.00 23.13 H new ATOM 0 HA ALA A 6 5.604 -13.323 10.064 1.00 53.41 H new ATOM 0 HB1 ALA A 6 5.649 -15.676 9.344 1.00 12.51 H new ATOM 0 HB2 ALA A 6 6.400 -15.466 10.943 1.00 12.51 H new ATOM 0 HB3 ALA A 6 4.759 -16.142 10.813 1.00 12.51 H new ATOM 91 N TYR A 7 2.779 -12.925 10.024 1.00 0.14 N ATOM 92 CA TYR A 7 1.467 -12.716 9.419 1.00 43.24 C ATOM 93 C TYR A 7 1.571 -12.248 7.967 1.00 73.21 C ATOM 94 O TYR A 7 2.667 -12.063 7.430 1.00 3.13 O ATOM 95 CB TYR A 7 0.668 -11.699 10.246 1.00 52.40 C ATOM 96 CG TYR A 7 1.436 -10.433 10.566 1.00 61.12 C ATOM 97 CD1 TYR A 7 1.457 -9.365 9.679 1.00 35.12 C ATOM 98 CD2 TYR A 7 2.144 -10.311 11.755 1.00 2.03 C ATOM 99 CE1 TYR A 7 2.163 -8.212 9.966 1.00 2.01 C ATOM 100 CE2 TYR A 7 2.852 -9.162 12.050 1.00 74.32 C ATOM 101 CZ TYR A 7 2.858 -8.115 11.152 1.00 43.40 C ATOM 102 OH TYR A 7 3.562 -6.969 11.442 1.00 43.01 O ATOM 0 H TYR A 7 3.010 -12.248 10.751 1.00 0.14 H new ATOM 0 HA TYR A 7 0.949 -13.675 9.415 1.00 43.24 H new ATOM 0 HB2 TYR A 7 -0.239 -11.435 9.702 1.00 52.40 H new ATOM 0 HB3 TYR A 7 0.355 -12.169 11.179 1.00 52.40 H new ATOM 0 HD1 TYR A 7 0.912 -9.436 8.749 1.00 35.12 H new ATOM 0 HD2 TYR A 7 2.141 -11.128 12.461 1.00 2.03 H new ATOM 0 HE1 TYR A 7 2.170 -7.391 9.264 1.00 2.01 H new ATOM 0 HE2 TYR A 7 3.398 -9.084 12.979 1.00 74.32 H new ATOM 0 HH TYR A 7 3.994 -7.063 12.316 1.00 43.01 H new ATOM 112 N THR A 8 0.418 -12.054 7.349 1.00 11.31 N ATOM 113 CA THR A 8 0.342 -11.666 5.954 1.00 72.31 C ATOM 114 C THR A 8 0.344 -10.150 5.807 1.00 72.41 C ATOM 115 O THR A 8 0.165 -9.419 6.787 1.00 71.04 O ATOM 116 CB THR A 8 -0.937 -12.227 5.313 1.00 32.34 C ATOM 117 OG1 THR A 8 -2.073 -11.850 6.103 1.00 74.33 O ATOM 118 CG2 THR A 8 -0.874 -13.741 5.208 1.00 5.41 C ATOM 0 H THR A 8 -0.490 -12.161 7.801 1.00 11.31 H new ATOM 0 HA THR A 8 1.218 -12.074 5.449 1.00 72.31 H new ATOM 0 HB THR A 8 -1.028 -11.815 4.308 1.00 32.34 H new ATOM 0 HG1 THR A 8 -2.889 -12.206 5.693 1.00 74.33 H new ATOM 0 HG21 THR A 8 -1.791 -14.113 4.751 1.00 5.41 H new ATOM 0 HG22 THR A 8 -0.021 -14.028 4.594 1.00 5.41 H new ATOM 0 HG23 THR A 8 -0.765 -14.171 6.204 1.00 5.41 H new ATOM 126 N VAL A 9 0.535 -9.676 4.581 1.00 42.51 N ATOM 127 CA VAL A 9 0.489 -8.247 4.306 1.00 34.20 C ATOM 128 C VAL A 9 -0.924 -7.709 4.550 1.00 22.04 C ATOM 129 O VAL A 9 -1.113 -6.530 4.858 1.00 15.52 O ATOM 130 CB VAL A 9 0.942 -7.935 2.859 1.00 2.43 C ATOM 131 CG1 VAL A 9 0.050 -8.631 1.846 1.00 72.25 C ATOM 132 CG2 VAL A 9 0.973 -6.433 2.603 1.00 74.13 C ATOM 0 H VAL A 9 0.722 -10.259 3.765 1.00 42.51 H new ATOM 0 HA VAL A 9 1.182 -7.751 4.985 1.00 34.20 H new ATOM 0 HB VAL A 9 1.955 -8.319 2.741 1.00 2.43 H new ATOM 0 HG11 VAL A 9 0.391 -8.395 0.838 1.00 72.25 H new ATOM 0 HG12 VAL A 9 0.096 -9.709 2.001 1.00 72.25 H new ATOM 0 HG13 VAL A 9 -0.978 -8.290 1.971 1.00 72.25 H new ATOM 0 HG21 VAL A 9 1.295 -6.245 1.579 1.00 74.13 H new ATOM 0 HG22 VAL A 9 -0.024 -6.018 2.752 1.00 74.13 H new ATOM 0 HG23 VAL A 9 1.670 -5.960 3.295 1.00 74.13 H new ATOM 142 N ALA A 10 -1.912 -8.598 4.441 1.00 3.22 N ATOM 143 CA ALA A 10 -3.299 -8.236 4.682 1.00 71.33 C ATOM 144 C ALA A 10 -3.486 -7.697 6.090 1.00 24.13 C ATOM 145 O ALA A 10 -4.008 -6.594 6.272 1.00 35.30 O ATOM 146 CB ALA A 10 -4.212 -9.430 4.453 1.00 44.23 C ATOM 0 H ALA A 10 -1.771 -9.576 4.186 1.00 3.22 H new ATOM 0 HA ALA A 10 -3.566 -7.450 3.976 1.00 71.33 H new ATOM 0 HB1 ALA A 10 -5.246 -9.138 4.639 1.00 44.23 H new ATOM 0 HB2 ALA A 10 -4.111 -9.773 3.423 1.00 44.23 H new ATOM 0 HB3 ALA A 10 -3.935 -10.236 5.133 1.00 44.23 H new ATOM 152 N GLN A 11 -3.016 -8.455 7.072 1.00 53.22 N ATOM 153 CA GLN A 11 -3.173 -8.075 8.466 1.00 3.04 C ATOM 154 C GLN A 11 -2.351 -6.831 8.782 1.00 41.43 C ATOM 155 O GLN A 11 -2.792 -5.966 9.535 1.00 43.05 O ATOM 156 CB GLN A 11 -2.770 -9.231 9.384 1.00 15.12 C ATOM 157 CG GLN A 11 -3.010 -8.948 10.858 1.00 60.13 C ATOM 158 CD GLN A 11 -4.435 -8.502 11.154 1.00 20.55 C ATOM 159 OE1 GLN A 11 -5.383 -8.894 10.469 1.00 3.12 O ATOM 160 NE2 GLN A 11 -4.593 -7.679 12.178 1.00 14.25 N ATOM 0 H GLN A 11 -2.523 -9.336 6.927 1.00 53.22 H new ATOM 0 HA GLN A 11 -4.224 -7.843 8.641 1.00 3.04 H new ATOM 0 HB2 GLN A 11 -3.328 -10.123 9.098 1.00 15.12 H new ATOM 0 HB3 GLN A 11 -1.714 -9.453 9.232 1.00 15.12 H new ATOM 0 HG2 GLN A 11 -2.789 -9.846 11.435 1.00 60.13 H new ATOM 0 HG3 GLN A 11 -2.317 -8.176 11.192 1.00 60.13 H new ATOM 0 HE21 GLN A 11 -3.783 -7.378 12.720 1.00 14.25 H new ATOM 0 HE22 GLN A 11 -5.525 -7.346 12.425 1.00 14.25 H new ATOM 169 N LEU A 12 -1.165 -6.743 8.190 1.00 61.52 N ATOM 170 CA LEU A 12 -0.295 -5.589 8.385 1.00 4.12 C ATOM 171 C LEU A 12 -1.001 -4.303 7.955 1.00 5.04 C ATOM 172 O LEU A 12 -1.026 -3.315 8.692 1.00 74.11 O ATOM 173 CB LEU A 12 1.001 -5.767 7.588 1.00 61.45 C ATOM 174 CG LEU A 12 2.008 -4.619 7.710 1.00 64.53 C ATOM 175 CD1 LEU A 12 2.482 -4.470 9.148 1.00 31.11 C ATOM 176 CD2 LEU A 12 3.186 -4.847 6.775 1.00 40.13 C ATOM 0 H LEU A 12 -0.784 -7.458 7.570 1.00 61.52 H new ATOM 0 HA LEU A 12 -0.054 -5.514 9.445 1.00 4.12 H new ATOM 0 HB2 LEU A 12 1.484 -6.688 7.913 1.00 61.45 H new ATOM 0 HB3 LEU A 12 0.746 -5.895 6.536 1.00 61.45 H new ATOM 0 HG LEU A 12 1.512 -3.693 7.420 1.00 64.53 H new ATOM 0 HD11 LEU A 12 3.196 -3.649 9.212 1.00 31.11 H new ATOM 0 HD12 LEU A 12 1.629 -4.260 9.792 1.00 31.11 H new ATOM 0 HD13 LEU A 12 2.961 -5.394 9.471 1.00 31.11 H new ATOM 0 HD21 LEU A 12 3.893 -4.023 6.873 1.00 40.13 H new ATOM 0 HD22 LEU A 12 3.681 -5.783 7.035 1.00 40.13 H new ATOM 0 HD23 LEU A 12 2.829 -4.899 5.746 1.00 40.13 H new ATOM 188 N ALA A 13 -1.590 -4.336 6.767 1.00 73.43 N ATOM 189 CA ALA A 13 -2.261 -3.169 6.212 1.00 62.40 C ATOM 190 C ALA A 13 -3.523 -2.815 6.991 1.00 14.01 C ATOM 191 O ALA A 13 -3.784 -1.644 7.261 1.00 33.22 O ATOM 192 CB ALA A 13 -2.597 -3.408 4.750 1.00 55.30 C ATOM 0 H ALA A 13 -1.616 -5.161 6.168 1.00 73.43 H new ATOM 0 HA ALA A 13 -1.577 -2.324 6.294 1.00 62.40 H new ATOM 0 HB1 ALA A 13 -3.099 -2.530 4.344 1.00 55.30 H new ATOM 0 HB2 ALA A 13 -1.679 -3.593 4.191 1.00 55.30 H new ATOM 0 HB3 ALA A 13 -3.254 -4.273 4.664 1.00 55.30 H new ATOM 198 N ASP A 14 -4.302 -3.830 7.357 1.00 3.21 N ATOM 199 CA ASP A 14 -5.572 -3.603 8.047 1.00 10.02 C ATOM 200 C ASP A 14 -5.339 -3.088 9.458 1.00 71.05 C ATOM 201 O ASP A 14 -6.042 -2.192 9.921 1.00 51.23 O ATOM 202 CB ASP A 14 -6.418 -4.879 8.101 1.00 13.14 C ATOM 203 CG ASP A 14 -6.905 -5.323 6.737 1.00 45.13 C ATOM 204 OD1 ASP A 14 -7.195 -4.459 5.878 1.00 11.00 O ATOM 205 OD2 ASP A 14 -6.990 -6.543 6.504 1.00 64.31 O ATOM 0 H ASP A 14 -4.080 -4.811 7.190 1.00 3.21 H new ATOM 0 HA ASP A 14 -6.116 -2.850 7.477 1.00 10.02 H new ATOM 0 HB2 ASP A 14 -5.830 -5.680 8.549 1.00 13.14 H new ATOM 0 HB3 ASP A 14 -7.277 -4.712 8.751 1.00 13.14 H new ATOM 210 N GLU A 15 -4.340 -3.645 10.131 1.00 74.12 N ATOM 211 CA GLU A 15 -4.021 -3.240 11.492 1.00 21.03 C ATOM 212 C GLU A 15 -3.585 -1.779 11.520 1.00 63.12 C ATOM 213 O GLU A 15 -4.073 -0.995 12.331 1.00 24.41 O ATOM 214 CB GLU A 15 -2.926 -4.138 12.076 1.00 12.30 C ATOM 215 CG GLU A 15 -2.677 -3.919 13.559 1.00 62.01 C ATOM 216 CD GLU A 15 -3.933 -4.095 14.390 1.00 53.42 C ATOM 217 OE1 GLU A 15 -4.558 -5.175 14.315 1.00 65.14 O ATOM 218 OE2 GLU A 15 -4.301 -3.159 15.124 1.00 62.15 O ATOM 0 H GLU A 15 -3.738 -4.378 9.756 1.00 74.12 H new ATOM 0 HA GLU A 15 -4.916 -3.347 12.105 1.00 21.03 H new ATOM 0 HB2 GLU A 15 -3.199 -5.181 11.913 1.00 12.30 H new ATOM 0 HB3 GLU A 15 -1.998 -3.963 11.532 1.00 12.30 H new ATOM 0 HG2 GLU A 15 -1.916 -4.619 13.904 1.00 62.01 H new ATOM 0 HG3 GLU A 15 -2.281 -2.915 13.713 1.00 62.01 H new ATOM 225 N TYR A 16 -2.687 -1.413 10.607 1.00 33.12 N ATOM 226 CA TYR A 16 -2.218 -0.036 10.505 1.00 64.10 C ATOM 227 C TYR A 16 -3.391 0.895 10.198 1.00 22.42 C ATOM 228 O TYR A 16 -3.481 2.002 10.738 1.00 2.40 O ATOM 229 CB TYR A 16 -1.141 0.086 9.422 1.00 1.03 C ATOM 230 CG TYR A 16 -0.455 1.435 9.392 1.00 3.30 C ATOM 231 CD1 TYR A 16 0.563 1.733 10.290 1.00 64.13 C ATOM 232 CD2 TYR A 16 -0.823 2.405 8.468 1.00 53.01 C ATOM 233 CE1 TYR A 16 1.194 2.961 10.269 1.00 50.02 C ATOM 234 CE2 TYR A 16 -0.195 3.638 8.441 1.00 13.40 C ATOM 235 CZ TYR A 16 0.812 3.910 9.345 1.00 70.34 C ATOM 236 OH TYR A 16 1.439 5.137 9.326 1.00 72.20 O ATOM 0 H TYR A 16 -2.271 -2.051 9.929 1.00 33.12 H new ATOM 0 HA TYR A 16 -1.778 0.255 11.459 1.00 64.10 H new ATOM 0 HB2 TYR A 16 -0.391 -0.689 9.580 1.00 1.03 H new ATOM 0 HB3 TYR A 16 -1.594 -0.102 8.449 1.00 1.03 H new ATOM 0 HD1 TYR A 16 0.865 0.992 11.016 1.00 64.13 H new ATOM 0 HD2 TYR A 16 -1.611 2.194 7.760 1.00 53.01 H new ATOM 0 HE1 TYR A 16 1.984 3.177 10.974 1.00 50.02 H new ATOM 0 HE2 TYR A 16 -0.491 4.383 7.717 1.00 13.40 H new ATOM 0 HH TYR A 16 2.363 5.037 9.636 1.00 72.20 H new ATOM 246 N PHE A 17 -4.286 0.422 9.335 1.00 70.44 N ATOM 247 CA PHE A 17 -5.506 1.145 9.001 1.00 10.14 C ATOM 248 C PHE A 17 -6.340 1.422 10.250 1.00 34.41 C ATOM 249 O PHE A 17 -6.705 2.563 10.517 1.00 63.05 O ATOM 250 CB PHE A 17 -6.320 0.336 7.977 1.00 74.03 C ATOM 251 CG PHE A 17 -7.783 0.689 7.922 1.00 45.14 C ATOM 252 CD1 PHE A 17 -8.214 1.845 7.295 1.00 72.13 C ATOM 253 CD2 PHE A 17 -8.726 -0.145 8.503 1.00 33.21 C ATOM 254 CE1 PHE A 17 -9.559 2.162 7.249 1.00 73.22 C ATOM 255 CE2 PHE A 17 -10.069 0.167 8.460 1.00 13.24 C ATOM 256 CZ PHE A 17 -10.487 1.324 7.833 1.00 4.20 C ATOM 0 H PHE A 17 -4.185 -0.470 8.850 1.00 70.44 H new ATOM 0 HA PHE A 17 -5.234 2.106 8.565 1.00 10.14 H new ATOM 0 HB2 PHE A 17 -5.886 0.485 6.988 1.00 74.03 H new ATOM 0 HB3 PHE A 17 -6.224 -0.724 8.211 1.00 74.03 H new ATOM 0 HD1 PHE A 17 -7.493 2.506 6.837 1.00 72.13 H new ATOM 0 HD2 PHE A 17 -8.405 -1.051 8.996 1.00 33.21 H new ATOM 0 HE1 PHE A 17 -9.884 3.066 6.756 1.00 73.22 H new ATOM 0 HE2 PHE A 17 -10.792 -0.493 8.916 1.00 13.24 H new ATOM 0 HZ PHE A 17 -11.537 1.573 7.800 1.00 4.20 H new ATOM 266 N GLU A 18 -6.607 0.385 11.029 1.00 74.20 N ATOM 267 CA GLU A 18 -7.455 0.513 12.205 1.00 75.23 C ATOM 268 C GLU A 18 -6.813 1.394 13.273 1.00 23.15 C ATOM 269 O GLU A 18 -7.506 1.948 14.124 1.00 51.43 O ATOM 270 CB GLU A 18 -7.776 -0.861 12.790 1.00 33.51 C ATOM 271 CG GLU A 18 -8.601 -1.744 11.871 1.00 61.11 C ATOM 272 CD GLU A 18 -9.033 -3.033 12.539 1.00 50.22 C ATOM 273 OE1 GLU A 18 -10.038 -3.008 13.285 1.00 33.22 O ATOM 274 OE2 GLU A 18 -8.379 -4.074 12.327 1.00 44.13 O ATOM 0 H GLU A 18 -6.248 -0.556 10.868 1.00 74.20 H new ATOM 0 HA GLU A 18 -8.380 0.992 11.884 1.00 75.23 H new ATOM 0 HB2 GLU A 18 -6.842 -1.371 13.026 1.00 33.51 H new ATOM 0 HB3 GLU A 18 -8.313 -0.729 13.729 1.00 33.51 H new ATOM 0 HG2 GLU A 18 -9.484 -1.196 11.542 1.00 61.11 H new ATOM 0 HG3 GLU A 18 -8.020 -1.978 10.979 1.00 61.11 H new ATOM 281 N ARG A 19 -5.495 1.517 13.234 1.00 72.51 N ATOM 282 CA ARG A 19 -4.779 2.319 14.219 1.00 41.01 C ATOM 283 C ARG A 19 -4.823 3.801 13.866 1.00 53.11 C ATOM 284 O ARG A 19 -5.164 4.636 14.704 1.00 21.52 O ATOM 285 CB ARG A 19 -3.327 1.851 14.336 1.00 0.34 C ATOM 286 CG ARG A 19 -3.195 0.435 14.865 1.00 35.14 C ATOM 287 CD ARG A 19 -3.869 0.294 16.215 1.00 64.42 C ATOM 288 NE ARG A 19 -3.821 -1.078 16.710 1.00 13.23 N ATOM 289 CZ ARG A 19 -3.923 -1.417 17.993 1.00 43.13 C ATOM 290 NH1 ARG A 19 -4.087 -0.484 18.923 1.00 4.44 N ATOM 291 NH2 ARG A 19 -3.881 -2.695 18.340 1.00 22.32 N ATOM 0 H ARG A 19 -4.900 1.074 12.534 1.00 72.51 H new ATOM 0 HA ARG A 19 -5.275 2.184 15.180 1.00 41.01 H new ATOM 0 HB2 ARG A 19 -2.853 1.911 13.356 1.00 0.34 H new ATOM 0 HB3 ARG A 19 -2.785 2.530 14.995 1.00 0.34 H new ATOM 0 HG2 ARG A 19 -3.641 -0.264 14.157 1.00 35.14 H new ATOM 0 HG3 ARG A 19 -2.141 0.172 14.952 1.00 35.14 H new ATOM 0 HD2 ARG A 19 -3.384 0.955 16.933 1.00 64.42 H new ATOM 0 HD3 ARG A 19 -4.908 0.615 16.137 1.00 64.42 H new ATOM 0 HE ARG A 19 -3.701 -1.827 16.028 1.00 13.23 H new ATOM 0 HH11 ARG A 19 -4.136 0.499 18.656 1.00 4.44 H new ATOM 0 HH12 ARG A 19 -4.165 -0.750 19.905 1.00 4.44 H new ATOM 0 HH21 ARG A 19 -3.771 -3.414 17.625 1.00 22.32 H new ATOM 0 HH22 ARG A 19 -3.959 -2.960 19.322 1.00 22.32 H new ATOM 305 N MET A 20 -4.491 4.123 12.625 1.00 32.13 N ATOM 306 CA MET A 20 -4.407 5.519 12.199 1.00 14.24 C ATOM 307 C MET A 20 -5.777 6.078 11.832 1.00 0.45 C ATOM 308 O MET A 20 -6.018 7.278 11.951 1.00 21.52 O ATOM 309 CB MET A 20 -3.448 5.663 11.016 1.00 73.13 C ATOM 310 CG MET A 20 -1.999 5.372 11.371 1.00 23.12 C ATOM 311 SD MET A 20 -1.364 6.465 12.659 1.00 63.40 S ATOM 312 CE MET A 20 0.315 5.860 12.809 1.00 60.42 C ATOM 0 H MET A 20 -4.276 3.443 11.896 1.00 32.13 H new ATOM 0 HA MET A 20 -4.023 6.095 13.041 1.00 14.24 H new ATOM 0 HB2 MET A 20 -3.761 4.987 10.220 1.00 73.13 H new ATOM 0 HB3 MET A 20 -3.521 6.676 10.621 1.00 73.13 H new ATOM 0 HG2 MET A 20 -1.911 4.337 11.703 1.00 23.12 H new ATOM 0 HG3 MET A 20 -1.383 5.474 10.478 1.00 23.12 H new ATOM 0 HE1 MET A 20 0.843 6.436 13.569 1.00 60.42 H new ATOM 0 HE2 MET A 20 0.299 4.809 13.096 1.00 60.42 H new ATOM 0 HE3 MET A 20 0.827 5.967 11.853 1.00 60.42 H new ATOM 322 N ILE A 21 -6.676 5.206 11.405 1.00 13.03 N ATOM 323 CA ILE A 21 -8.022 5.620 11.031 1.00 43.11 C ATOM 324 C ILE A 21 -8.987 5.314 12.181 1.00 4.21 C ATOM 325 O ILE A 21 -10.132 4.914 11.983 1.00 72.51 O ATOM 326 CB ILE A 21 -8.475 4.919 9.722 1.00 60.22 C ATOM 327 CG1 ILE A 21 -7.378 5.034 8.652 1.00 62.32 C ATOM 328 CG2 ILE A 21 -9.773 5.519 9.192 1.00 14.33 C ATOM 329 CD1 ILE A 21 -7.058 6.461 8.252 1.00 15.14 C ATOM 0 H ILE A 21 -6.500 4.206 11.308 1.00 13.03 H new ATOM 0 HA ILE A 21 -8.024 6.694 10.843 1.00 43.11 H new ATOM 0 HB ILE A 21 -8.652 3.868 9.951 1.00 60.22 H new ATOM 0 HG12 ILE A 21 -6.470 4.559 9.024 1.00 62.32 H new ATOM 0 HG13 ILE A 21 -7.688 4.480 7.766 1.00 62.32 H new ATOM 0 HG21 ILE A 21 -10.063 5.006 8.275 1.00 14.33 H new ATOM 0 HG22 ILE A 21 -10.559 5.401 9.938 1.00 14.33 H new ATOM 0 HG23 ILE A 21 -9.626 6.579 8.984 1.00 14.33 H new ATOM 0 HD11 ILE A 21 -6.275 6.459 7.494 1.00 15.14 H new ATOM 0 HD12 ILE A 21 -7.953 6.935 7.849 1.00 15.14 H new ATOM 0 HD13 ILE A 21 -6.716 7.016 9.126 1.00 15.14 H new ATOM 341 N ALA A 22 -8.496 5.500 13.397 1.00 4.23 N ATOM 342 CA ALA A 22 -9.310 5.325 14.591 1.00 61.31 C ATOM 343 C ALA A 22 -9.694 6.679 15.186 1.00 60.31 C ATOM 344 O ALA A 22 -9.308 7.727 14.662 1.00 35.43 O ATOM 345 CB ALA A 22 -8.562 4.492 15.621 1.00 23.21 C ATOM 0 H ALA A 22 -7.531 5.774 13.584 1.00 4.23 H new ATOM 0 HA ALA A 22 -10.223 4.801 14.310 1.00 61.31 H new ATOM 0 HB1 ALA A 22 -9.182 4.369 16.509 1.00 23.21 H new ATOM 0 HB2 ALA A 22 -8.332 3.513 15.200 1.00 23.21 H new ATOM 0 HB3 ALA A 22 -7.635 4.996 15.893 1.00 23.21 H new ATOM 351 N GLY A 23 -10.452 6.654 16.276 1.00 24.42 N ATOM 352 CA GLY A 23 -10.838 7.885 16.942 1.00 70.42 C ATOM 353 C GLY A 23 -12.065 8.521 16.319 1.00 45.42 C ATOM 354 O GLY A 23 -13.196 8.173 16.660 1.00 34.54 O ATOM 0 H GLY A 23 -10.807 5.803 16.711 1.00 24.42 H new ATOM 0 HA2 GLY A 23 -11.034 7.679 17.994 1.00 70.42 H new ATOM 0 HA3 GLY A 23 -10.008 8.591 16.904 1.00 70.42 H new ATOM 358 N ARG A 24 -11.843 9.443 15.394 1.00 41.51 N ATOM 359 CA ARG A 24 -12.931 10.135 14.719 1.00 4.43 C ATOM 360 C ARG A 24 -12.613 10.267 13.236 1.00 41.34 C ATOM 361 O ARG A 24 -11.876 11.164 12.823 1.00 43.30 O ATOM 362 CB ARG A 24 -13.150 11.518 15.341 1.00 72.11 C ATOM 363 CG ARG A 24 -14.379 12.251 14.818 1.00 72.13 C ATOM 364 CD ARG A 24 -15.663 11.557 15.243 1.00 24.41 C ATOM 365 NE ARG A 24 -16.852 12.329 14.883 1.00 25.34 N ATOM 366 CZ ARG A 24 -17.949 12.403 15.637 1.00 5.42 C ATOM 367 NH1 ARG A 24 -18.040 11.697 16.758 1.00 30.44 N ATOM 368 NH2 ARG A 24 -18.958 13.175 15.261 1.00 23.52 N ATOM 0 H ARG A 24 -10.912 9.731 15.092 1.00 41.51 H new ATOM 0 HA ARG A 24 -13.847 9.556 14.837 1.00 4.43 H new ATOM 0 HB2 ARG A 24 -13.239 11.408 16.422 1.00 72.11 H new ATOM 0 HB3 ARG A 24 -12.268 12.131 15.155 1.00 72.11 H new ATOM 0 HG2 ARG A 24 -14.378 13.276 15.189 1.00 72.13 H new ATOM 0 HG3 ARG A 24 -14.336 12.305 13.730 1.00 72.13 H new ATOM 0 HD2 ARG A 24 -15.715 10.574 14.775 1.00 24.41 H new ATOM 0 HD3 ARG A 24 -15.648 11.397 16.321 1.00 24.41 H new ATOM 0 HE ARG A 24 -16.841 12.842 14.001 1.00 25.34 H new ATOM 0 HH11 ARG A 24 -17.269 11.095 17.045 1.00 30.44 H new ATOM 0 HH12 ARG A 24 -18.881 11.757 17.332 1.00 30.44 H new ATOM 0 HH21 ARG A 24 -18.895 13.712 14.396 1.00 23.52 H new ATOM 0 HH22 ARG A 24 -19.798 13.233 15.837 1.00 23.52 H new ATOM 382 N TRP A 25 -13.142 9.349 12.443 1.00 64.32 N ATOM 383 CA TRP A 25 -12.844 9.319 11.020 1.00 35.33 C ATOM 384 C TRP A 25 -14.118 9.353 10.178 1.00 34.55 C ATOM 385 O TRP A 25 -14.229 10.164 9.253 1.00 4.01 O ATOM 386 CB TRP A 25 -12.012 8.066 10.687 1.00 0.31 C ATOM 387 CG TRP A 25 -12.729 6.761 10.919 1.00 3.30 C ATOM 388 CD1 TRP A 25 -13.224 5.929 9.961 1.00 34.12 C ATOM 389 CD2 TRP A 25 -13.057 6.155 12.180 1.00 31.23 C ATOM 390 NE1 TRP A 25 -13.824 4.840 10.544 1.00 22.52 N ATOM 391 CE2 TRP A 25 -13.738 4.956 11.901 1.00 15.32 C ATOM 392 CE3 TRP A 25 -12.837 6.504 13.516 1.00 1.53 C ATOM 393 CZ2 TRP A 25 -14.202 4.110 12.902 1.00 71.01 C ATOM 394 CZ3 TRP A 25 -13.300 5.664 14.510 1.00 33.03 C ATOM 395 CH2 TRP A 25 -13.976 4.480 14.198 1.00 32.40 C ATOM 0 H TRP A 25 -13.778 8.617 12.759 1.00 64.32 H new ATOM 0 HA TRP A 25 -12.267 10.211 10.776 1.00 35.33 H new ATOM 0 HB2 TRP A 25 -11.704 8.116 9.643 1.00 0.31 H new ATOM 0 HB3 TRP A 25 -11.103 8.079 11.288 1.00 0.31 H new ATOM 0 HD1 TRP A 25 -13.155 6.101 8.897 1.00 34.12 H new ATOM 0 HE1 TRP A 25 -14.264 4.068 10.043 1.00 22.52 H new ATOM 0 HE3 TRP A 25 -12.314 7.415 13.767 1.00 1.53 H new ATOM 0 HZ2 TRP A 25 -14.722 3.194 12.664 1.00 71.01 H new ATOM 0 HZ3 TRP A 25 -13.137 5.926 15.545 1.00 33.03 H new ATOM 0 HH2 TRP A 25 -14.327 3.845 14.998 1.00 32.40 H new ATOM 406 N LYS A 26 -15.084 8.503 10.539 1.00 20.24 N ATOM 407 CA LYS A 26 -16.301 8.295 9.754 1.00 0.32 C ATOM 408 C LYS A 26 -15.965 7.720 8.370 1.00 14.01 C ATOM 409 O LYS A 26 -14.911 8.005 7.806 1.00 43.32 O ATOM 410 CB LYS A 26 -17.112 9.593 9.620 1.00 35.15 C ATOM 411 CG LYS A 26 -18.511 9.375 9.064 1.00 43.31 C ATOM 412 CD LYS A 26 -19.323 8.460 9.964 1.00 13.21 C ATOM 413 CE LYS A 26 -20.621 8.030 9.306 1.00 11.14 C ATOM 414 NZ LYS A 26 -21.404 7.125 10.186 1.00 63.11 N ATOM 0 H LYS A 26 -15.042 7.938 11.387 1.00 20.24 H new ATOM 0 HA LYS A 26 -16.918 7.572 10.287 1.00 0.32 H new ATOM 0 HB2 LYS A 26 -17.187 10.068 10.598 1.00 35.15 H new ATOM 0 HB3 LYS A 26 -16.574 10.284 8.970 1.00 35.15 H new ATOM 0 HG2 LYS A 26 -19.019 10.334 8.963 1.00 43.31 H new ATOM 0 HG3 LYS A 26 -18.445 8.943 8.066 1.00 43.31 H new ATOM 0 HD2 LYS A 26 -18.733 7.578 10.214 1.00 13.21 H new ATOM 0 HD3 LYS A 26 -19.543 8.973 10.901 1.00 13.21 H new ATOM 0 HE2 LYS A 26 -21.217 8.910 9.065 1.00 11.14 H new ATOM 0 HE3 LYS A 26 -20.403 7.525 8.365 1.00 11.14 H new ATOM 0 HZ1 LYS A 26 -22.285 6.850 9.706 1.00 63.11 H new ATOM 0 HZ2 LYS A 26 -20.844 6.274 10.395 1.00 63.11 H new ATOM 0 HZ3 LYS A 26 -21.632 7.616 11.074 1.00 63.11 H new ATOM 428 N HIS A 27 -16.868 6.885 7.849 1.00 22.42 N ATOM 429 CA HIS A 27 -16.728 6.252 6.526 1.00 13.34 C ATOM 430 C HIS A 27 -15.321 5.698 6.282 1.00 21.21 C ATOM 431 O HIS A 27 -14.577 6.198 5.439 1.00 13.55 O ATOM 432 CB HIS A 27 -17.167 7.188 5.371 1.00 54.23 C ATOM 433 CG HIS A 27 -16.550 8.562 5.368 1.00 2.44 C ATOM 434 ND1 HIS A 27 -17.236 9.690 5.761 1.00 0.33 N ATOM 435 CD2 HIS A 27 -15.312 8.986 5.014 1.00 75.24 C ATOM 436 CE1 HIS A 27 -16.447 10.742 5.658 1.00 33.12 C ATOM 437 NE2 HIS A 27 -15.275 10.344 5.207 1.00 53.34 N ATOM 0 H HIS A 27 -17.726 6.624 8.335 1.00 22.42 H new ATOM 0 HA HIS A 27 -17.411 5.403 6.534 1.00 13.34 H new ATOM 0 HB2 HIS A 27 -16.929 6.702 4.425 1.00 54.23 H new ATOM 0 HB3 HIS A 27 -18.251 7.297 5.410 1.00 54.23 H new ATOM 0 HD2 HIS A 27 -14.505 8.369 4.648 1.00 75.24 H new ATOM 0 HE1 HIS A 27 -16.717 11.759 5.902 1.00 33.12 H new ATOM 0 HE2 HIS A 27 -14.471 10.947 5.030 1.00 53.34 H new ATOM 446 N PRO A 28 -14.948 4.630 7.010 1.00 44.42 N ATOM 447 CA PRO A 28 -13.625 4.010 6.878 1.00 15.13 C ATOM 448 C PRO A 28 -13.451 3.364 5.507 1.00 22.02 C ATOM 449 O PRO A 28 -12.335 3.205 5.017 1.00 24.32 O ATOM 450 CB PRO A 28 -13.614 2.937 7.970 1.00 53.13 C ATOM 451 CG PRO A 28 -15.050 2.646 8.239 1.00 51.02 C ATOM 452 CD PRO A 28 -15.787 3.933 8.002 1.00 34.32 C ATOM 0 HA PRO A 28 -12.818 4.736 6.977 1.00 15.13 H new ATOM 0 HB2 PRO A 28 -13.085 2.043 7.639 1.00 53.13 H new ATOM 0 HB3 PRO A 28 -13.108 3.293 8.868 1.00 53.13 H new ATOM 0 HG2 PRO A 28 -15.418 1.859 7.581 1.00 51.02 H new ATOM 0 HG3 PRO A 28 -15.192 2.298 9.262 1.00 51.02 H new ATOM 0 HD2 PRO A 28 -16.794 3.756 7.623 1.00 34.32 H new ATOM 0 HD3 PRO A 28 -15.889 4.512 8.920 1.00 34.32 H new ATOM 460 N ASN A 29 -14.579 3.017 4.889 1.00 14.32 N ATOM 461 CA ASN A 29 -14.583 2.349 3.589 1.00 53.53 C ATOM 462 C ASN A 29 -13.915 3.204 2.518 1.00 70.43 C ATOM 463 O ASN A 29 -13.371 2.682 1.552 1.00 23.51 O ATOM 464 CB ASN A 29 -16.016 1.997 3.156 1.00 64.44 C ATOM 465 CG ASN A 29 -16.881 3.218 2.876 1.00 65.24 C ATOM 466 OD1 ASN A 29 -16.896 3.739 1.762 1.00 14.14 O ATOM 467 ND2 ASN A 29 -17.635 3.661 3.873 1.00 42.21 N ATOM 0 H ASN A 29 -15.509 3.189 5.272 1.00 14.32 H new ATOM 0 HA ASN A 29 -14.010 1.428 3.699 1.00 53.53 H new ATOM 0 HB2 ASN A 29 -15.975 1.377 2.260 1.00 64.44 H new ATOM 0 HB3 ASN A 29 -16.487 1.399 3.936 1.00 64.44 H new ATOM 0 HD21 ASN A 29 -18.254 4.459 3.729 1.00 42.21 H new ATOM 0 HD22 ASN A 29 -17.596 3.204 4.784 1.00 42.21 H new ATOM 474 N ILE A 30 -13.944 4.516 2.704 1.00 11.32 N ATOM 475 CA ILE A 30 -13.361 5.435 1.739 1.00 23.23 C ATOM 476 C ILE A 30 -11.845 5.244 1.651 1.00 1.13 C ATOM 477 O ILE A 30 -11.286 5.108 0.561 1.00 62.53 O ATOM 478 CB ILE A 30 -13.693 6.901 2.100 1.00 62.10 C ATOM 479 CG1 ILE A 30 -15.205 7.141 2.027 1.00 13.11 C ATOM 480 CG2 ILE A 30 -12.957 7.870 1.185 1.00 62.54 C ATOM 481 CD1 ILE A 30 -15.805 6.887 0.658 1.00 42.11 C ATOM 0 H ILE A 30 -14.366 4.968 3.516 1.00 11.32 H new ATOM 0 HA ILE A 30 -13.796 5.212 0.765 1.00 23.23 H new ATOM 0 HB ILE A 30 -13.359 7.081 3.122 1.00 62.10 H new ATOM 0 HG12 ILE A 30 -15.700 6.497 2.754 1.00 13.11 H new ATOM 0 HG13 ILE A 30 -15.413 8.170 2.318 1.00 13.11 H new ATOM 0 HG21 ILE A 30 -13.209 8.894 1.461 1.00 62.54 H new ATOM 0 HG22 ILE A 30 -11.882 7.721 1.286 1.00 62.54 H new ATOM 0 HG23 ILE A 30 -13.252 7.690 0.151 1.00 62.54 H new ATOM 0 HD11 ILE A 30 -16.878 7.079 0.689 1.00 42.11 H new ATOM 0 HD12 ILE A 30 -15.339 7.549 -0.072 1.00 42.11 H new ATOM 0 HD13 ILE A 30 -15.630 5.850 0.371 1.00 42.11 H new ATOM 493 N VAL A 31 -11.184 5.223 2.799 1.00 33.25 N ATOM 494 CA VAL A 31 -9.740 5.032 2.835 1.00 4.03 C ATOM 495 C VAL A 31 -9.377 3.547 2.692 1.00 73.21 C ATOM 496 O VAL A 31 -8.376 3.203 2.060 1.00 21.55 O ATOM 497 CB VAL A 31 -9.119 5.628 4.125 1.00 32.34 C ATOM 498 CG1 VAL A 31 -9.727 5.008 5.370 1.00 23.22 C ATOM 499 CG2 VAL A 31 -7.605 5.470 4.126 1.00 43.14 C ATOM 0 H VAL A 31 -11.621 5.335 3.714 1.00 33.25 H new ATOM 0 HA VAL A 31 -9.319 5.569 1.986 1.00 4.03 H new ATOM 0 HB VAL A 31 -9.349 6.693 4.138 1.00 32.34 H new ATOM 0 HG11 VAL A 31 -9.270 5.448 6.256 1.00 23.22 H new ATOM 0 HG12 VAL A 31 -10.800 5.197 5.384 1.00 23.22 H new ATOM 0 HG13 VAL A 31 -9.548 3.933 5.365 1.00 23.22 H new ATOM 0 HG21 VAL A 31 -7.195 5.896 5.042 1.00 43.14 H new ATOM 0 HG22 VAL A 31 -7.350 4.412 4.073 1.00 43.14 H new ATOM 0 HG23 VAL A 31 -7.184 5.989 3.264 1.00 43.14 H new ATOM 509 N ARG A 32 -10.210 2.669 3.247 1.00 54.32 N ATOM 510 CA ARG A 32 -9.943 1.231 3.227 1.00 62.32 C ATOM 511 C ARG A 32 -10.118 0.665 1.819 1.00 51.11 C ATOM 512 O ARG A 32 -9.511 -0.348 1.473 1.00 72.14 O ATOM 513 CB ARG A 32 -10.868 0.507 4.216 1.00 43.22 C ATOM 514 CG ARG A 32 -10.271 -0.760 4.827 1.00 10.32 C ATOM 515 CD ARG A 32 -10.326 -1.951 3.881 1.00 62.50 C ATOM 516 NE ARG A 32 -9.702 -3.142 4.465 1.00 54.14 N ATOM 517 CZ ARG A 32 -10.143 -4.387 4.274 1.00 30.43 C ATOM 518 NH1 ARG A 32 -11.202 -4.619 3.510 1.00 45.41 N ATOM 519 NH2 ARG A 32 -9.514 -5.406 4.847 1.00 72.35 N ATOM 0 H ARG A 32 -11.077 2.928 3.717 1.00 54.32 H new ATOM 0 HA ARG A 32 -8.909 1.069 3.531 1.00 62.32 H new ATOM 0 HB2 ARG A 32 -11.130 1.195 5.020 1.00 43.22 H new ATOM 0 HB3 ARG A 32 -11.795 0.247 3.704 1.00 43.22 H new ATOM 0 HG2 ARG A 32 -9.234 -0.570 5.106 1.00 10.32 H new ATOM 0 HG3 ARG A 32 -10.808 -1.004 5.744 1.00 10.32 H new ATOM 0 HD2 ARG A 32 -11.365 -2.170 3.633 1.00 62.50 H new ATOM 0 HD3 ARG A 32 -9.822 -1.697 2.948 1.00 62.50 H new ATOM 0 HE ARG A 32 -8.880 -3.011 5.054 1.00 54.14 H new ATOM 0 HH11 ARG A 32 -11.688 -3.842 3.062 1.00 45.41 H new ATOM 0 HH12 ARG A 32 -11.531 -5.574 3.371 1.00 45.41 H new ATOM 0 HH21 ARG A 32 -8.696 -5.236 5.432 1.00 72.35 H new ATOM 0 HH22 ARG A 32 -9.849 -6.358 4.703 1.00 72.35 H new ATOM 533 N SER A 33 -10.931 1.335 1.008 1.00 43.42 N ATOM 534 CA SER A 33 -11.207 0.885 -0.353 1.00 62.45 C ATOM 535 C SER A 33 -9.912 0.691 -1.139 1.00 21.30 C ATOM 536 O SER A 33 -9.711 -0.349 -1.760 1.00 74.12 O ATOM 537 CB SER A 33 -12.109 1.891 -1.077 1.00 3.21 C ATOM 538 OG SER A 33 -12.567 1.376 -2.315 1.00 12.10 O ATOM 0 H SER A 33 -11.412 2.195 1.271 1.00 43.42 H new ATOM 0 HA SER A 33 -11.721 -0.074 -0.290 1.00 62.45 H new ATOM 0 HB2 SER A 33 -12.963 2.137 -0.445 1.00 3.21 H new ATOM 0 HB3 SER A 33 -11.560 2.817 -1.247 1.00 3.21 H new ATOM 0 HG SER A 33 -13.141 2.039 -2.753 1.00 12.10 H new ATOM 544 N ARG A 34 -9.024 1.680 -1.086 1.00 30.01 N ATOM 545 CA ARG A 34 -7.771 1.610 -1.833 1.00 31.32 C ATOM 546 C ARG A 34 -6.881 0.502 -1.279 1.00 53.31 C ATOM 547 O ARG A 34 -6.067 -0.077 -1.997 1.00 61.32 O ATOM 548 CB ARG A 34 -7.021 2.949 -1.780 1.00 34.33 C ATOM 549 CG ARG A 34 -6.291 3.191 -0.466 1.00 54.22 C ATOM 550 CD ARG A 34 -5.454 4.456 -0.507 1.00 50.20 C ATOM 551 NE ARG A 34 -6.274 5.660 -0.428 1.00 73.33 N ATOM 552 CZ ARG A 34 -5.779 6.894 -0.445 1.00 22.22 C ATOM 553 NH1 ARG A 34 -4.481 7.097 -0.635 1.00 73.21 N ATOM 554 NH2 ARG A 34 -6.591 7.928 -0.297 1.00 53.24 N ATOM 0 H ARG A 34 -9.146 2.532 -0.539 1.00 30.01 H new ATOM 0 HA ARG A 34 -8.015 1.389 -2.872 1.00 31.32 H new ATOM 0 HB2 ARG A 34 -6.301 2.984 -2.597 1.00 34.33 H new ATOM 0 HB3 ARG A 34 -7.731 3.760 -1.946 1.00 34.33 H new ATOM 0 HG2 ARG A 34 -7.017 3.262 0.344 1.00 54.22 H new ATOM 0 HG3 ARG A 34 -5.649 2.338 -0.245 1.00 54.22 H new ATOM 0 HD2 ARG A 34 -4.744 4.447 0.320 1.00 50.20 H new ATOM 0 HD3 ARG A 34 -4.871 4.475 -1.428 1.00 50.20 H new ATOM 0 HE ARG A 34 -7.285 5.549 -0.356 1.00 73.33 H new ATOM 0 HH11 ARG A 34 -3.855 6.303 -0.769 1.00 73.21 H new ATOM 0 HH12 ARG A 34 -4.110 8.047 -0.647 1.00 73.21 H new ATOM 0 HH21 ARG A 34 -7.592 7.777 -0.171 1.00 53.24 H new ATOM 0 HH22 ARG A 34 -6.216 8.877 -0.309 1.00 53.24 H new ATOM 568 N ILE A 35 -7.062 0.202 -0.001 1.00 71.05 N ATOM 569 CA ILE A 35 -6.226 -0.763 0.690 1.00 65.24 C ATOM 570 C ILE A 35 -6.528 -2.178 0.217 1.00 0.44 C ATOM 571 O ILE A 35 -5.619 -2.963 -0.032 1.00 74.43 O ATOM 572 CB ILE A 35 -6.422 -0.675 2.222 1.00 21.34 C ATOM 573 CG1 ILE A 35 -6.127 0.746 2.709 1.00 31.00 C ATOM 574 CG2 ILE A 35 -5.529 -1.680 2.937 1.00 51.52 C ATOM 575 CD1 ILE A 35 -6.325 0.937 4.197 1.00 71.42 C ATOM 0 H ILE A 35 -7.788 0.619 0.581 1.00 71.05 H new ATOM 0 HA ILE A 35 -5.189 -0.524 0.456 1.00 65.24 H new ATOM 0 HB ILE A 35 -7.459 -0.917 2.454 1.00 21.34 H new ATOM 0 HG12 ILE A 35 -5.099 1.001 2.453 1.00 31.00 H new ATOM 0 HG13 ILE A 35 -6.771 1.444 2.174 1.00 31.00 H new ATOM 0 HG21 ILE A 35 -5.682 -1.602 4.013 1.00 51.52 H new ATOM 0 HG22 ILE A 35 -5.779 -2.688 2.607 1.00 51.52 H new ATOM 0 HG23 ILE A 35 -4.485 -1.470 2.703 1.00 51.52 H new ATOM 0 HD11 ILE A 35 -6.097 1.969 4.465 1.00 71.42 H new ATOM 0 HD12 ILE A 35 -7.360 0.715 4.458 1.00 71.42 H new ATOM 0 HD13 ILE A 35 -5.661 0.265 4.742 1.00 71.42 H new ATOM 587 N GLU A 36 -7.804 -2.499 0.084 1.00 54.14 N ATOM 588 CA GLU A 36 -8.206 -3.836 -0.333 1.00 3.44 C ATOM 589 C GLU A 36 -8.322 -3.944 -1.851 1.00 2.05 C ATOM 590 O GLU A 36 -8.561 -5.027 -2.389 1.00 74.22 O ATOM 591 CB GLU A 36 -9.530 -4.221 0.322 1.00 22.31 C ATOM 592 CG GLU A 36 -10.688 -3.317 -0.061 1.00 20.25 C ATOM 593 CD GLU A 36 -11.974 -3.708 0.627 1.00 23.23 C ATOM 594 OE1 GLU A 36 -12.623 -4.679 0.183 1.00 64.21 O ATOM 595 OE2 GLU A 36 -12.337 -3.059 1.626 1.00 4.33 O ATOM 0 H GLU A 36 -8.578 -1.857 0.257 1.00 54.14 H new ATOM 0 HA GLU A 36 -7.429 -4.528 -0.008 1.00 3.44 H new ATOM 0 HB2 GLU A 36 -9.776 -5.247 0.048 1.00 22.31 H new ATOM 0 HB3 GLU A 36 -9.408 -4.201 1.405 1.00 22.31 H new ATOM 0 HG2 GLU A 36 -10.441 -2.287 0.194 1.00 20.25 H new ATOM 0 HG3 GLU A 36 -10.831 -3.352 -1.141 1.00 20.25 H new ATOM 602 N LYS A 37 -8.165 -2.825 -2.544 1.00 73.52 N ATOM 603 CA LYS A 37 -8.301 -2.818 -3.988 1.00 15.32 C ATOM 604 C LYS A 37 -6.935 -2.713 -4.665 1.00 42.33 C ATOM 605 O LYS A 37 -6.575 -3.574 -5.465 1.00 40.55 O ATOM 606 CB LYS A 37 -9.229 -1.675 -4.419 1.00 61.13 C ATOM 607 CG LYS A 37 -9.660 -1.723 -5.877 1.00 11.02 C ATOM 608 CD LYS A 37 -8.615 -1.120 -6.797 1.00 61.15 C ATOM 609 CE LYS A 37 -8.186 -2.098 -7.876 1.00 43.23 C ATOM 610 NZ LYS A 37 -7.141 -1.524 -8.761 1.00 71.21 N ATOM 0 H LYS A 37 -7.945 -1.919 -2.131 1.00 73.52 H new ATOM 0 HA LYS A 37 -8.747 -3.761 -4.305 1.00 15.32 H new ATOM 0 HB2 LYS A 37 -10.119 -1.691 -3.790 1.00 61.13 H new ATOM 0 HB3 LYS A 37 -8.725 -0.726 -4.234 1.00 61.13 H new ATOM 0 HG2 LYS A 37 -9.845 -2.757 -6.167 1.00 11.02 H new ATOM 0 HG3 LYS A 37 -10.601 -1.186 -5.995 1.00 11.02 H new ATOM 0 HD2 LYS A 37 -9.015 -0.219 -7.261 1.00 61.15 H new ATOM 0 HD3 LYS A 37 -7.746 -0.819 -6.212 1.00 61.15 H new ATOM 0 HE2 LYS A 37 -7.808 -3.008 -7.411 1.00 43.23 H new ATOM 0 HE3 LYS A 37 -9.052 -2.382 -8.474 1.00 43.23 H new ATOM 0 HZ1 LYS A 37 -6.803 -2.255 -9.419 1.00 71.21 H new ATOM 0 HZ2 LYS A 37 -7.541 -0.730 -9.301 1.00 71.21 H new ATOM 0 HZ3 LYS A 37 -6.346 -1.184 -8.184 1.00 71.21 H new ATOM 624 N ASP A 38 -6.183 -1.667 -4.349 1.00 2.01 N ATOM 625 CA ASP A 38 -4.893 -1.430 -4.996 1.00 34.41 C ATOM 626 C ASP A 38 -3.732 -1.926 -4.148 1.00 61.44 C ATOM 627 O ASP A 38 -2.823 -2.573 -4.655 1.00 24.32 O ATOM 628 CB ASP A 38 -4.706 0.057 -5.307 1.00 34.14 C ATOM 629 CG ASP A 38 -5.635 0.532 -6.401 1.00 62.40 C ATOM 630 OD1 ASP A 38 -5.471 0.089 -7.561 1.00 55.51 O ATOM 631 OD2 ASP A 38 -6.554 1.329 -6.108 1.00 73.10 O ATOM 0 H ASP A 38 -6.440 -0.969 -3.651 1.00 2.01 H new ATOM 0 HA ASP A 38 -4.897 -1.995 -5.928 1.00 34.41 H new ATOM 0 HB2 ASP A 38 -4.883 0.641 -4.404 1.00 34.14 H new ATOM 0 HB3 ASP A 38 -3.673 0.237 -5.606 1.00 34.14 H new ATOM 636 N ILE A 39 -3.762 -1.621 -2.857 1.00 32.44 N ATOM 637 CA ILE A 39 -2.692 -2.037 -1.953 1.00 14.43 C ATOM 638 C ILE A 39 -2.627 -3.562 -1.866 1.00 3.44 C ATOM 639 O ILE A 39 -1.562 -4.161 -2.004 1.00 73.42 O ATOM 640 CB ILE A 39 -2.877 -1.437 -0.541 1.00 41.13 C ATOM 641 CG1 ILE A 39 -2.860 0.094 -0.615 1.00 54.14 C ATOM 642 CG2 ILE A 39 -1.793 -1.946 0.401 1.00 71.42 C ATOM 643 CD1 ILE A 39 -3.042 0.776 0.724 1.00 30.10 C ATOM 0 H ILE A 39 -4.511 -1.090 -2.412 1.00 32.44 H new ATOM 0 HA ILE A 39 -1.754 -1.661 -2.361 1.00 14.43 H new ATOM 0 HB ILE A 39 -3.843 -1.754 -0.147 1.00 41.13 H new ATOM 0 HG12 ILE A 39 -1.914 0.416 -1.050 1.00 54.14 H new ATOM 0 HG13 ILE A 39 -3.650 0.424 -1.290 1.00 54.14 H new ATOM 0 HG21 ILE A 39 -1.939 -1.513 1.391 1.00 71.42 H new ATOM 0 HG22 ILE A 39 -1.850 -3.032 0.468 1.00 71.42 H new ATOM 0 HG23 ILE A 39 -0.814 -1.657 0.019 1.00 71.42 H new ATOM 0 HD11 ILE A 39 -3.018 1.857 0.588 1.00 30.10 H new ATOM 0 HD12 ILE A 39 -4.001 0.485 1.153 1.00 30.10 H new ATOM 0 HD13 ILE A 39 -2.238 0.477 1.397 1.00 30.10 H new ATOM 655 N LYS A 40 -3.778 -4.178 -1.644 1.00 33.13 N ATOM 656 CA LYS A 40 -3.883 -5.629 -1.614 1.00 33.51 C ATOM 657 C LYS A 40 -4.940 -6.096 -2.607 1.00 43.20 C ATOM 658 O LYS A 40 -6.074 -6.374 -2.219 1.00 23.41 O ATOM 659 CB LYS A 40 -4.258 -6.113 -0.210 1.00 12.44 C ATOM 660 CG LYS A 40 -3.289 -5.676 0.877 1.00 53.14 C ATOM 661 CD LYS A 40 -3.792 -6.065 2.258 1.00 64.44 C ATOM 662 CE LYS A 40 -5.059 -5.306 2.636 1.00 12.21 C ATOM 663 NZ LYS A 40 -5.588 -5.722 3.966 1.00 20.02 N ATOM 0 H LYS A 40 -4.659 -3.691 -1.481 1.00 33.13 H new ATOM 0 HA LYS A 40 -2.914 -6.048 -1.887 1.00 33.51 H new ATOM 0 HB2 LYS A 40 -5.254 -5.744 0.036 1.00 12.44 H new ATOM 0 HB3 LYS A 40 -4.314 -7.202 -0.216 1.00 12.44 H new ATOM 0 HG2 LYS A 40 -2.314 -6.131 0.702 1.00 53.14 H new ATOM 0 HG3 LYS A 40 -3.150 -4.596 0.830 1.00 53.14 H new ATOM 0 HD2 LYS A 40 -3.989 -7.137 2.284 1.00 64.44 H new ATOM 0 HD3 LYS A 40 -3.016 -5.866 2.997 1.00 64.44 H new ATOM 0 HE2 LYS A 40 -4.850 -4.236 2.648 1.00 12.21 H new ATOM 0 HE3 LYS A 40 -5.821 -5.473 1.875 1.00 12.21 H new ATOM 0 HZ1 LYS A 40 -6.219 -4.982 4.336 1.00 20.02 H new ATOM 0 HZ2 LYS A 40 -6.118 -6.611 3.866 1.00 20.02 H new ATOM 0 HZ3 LYS A 40 -4.797 -5.863 4.626 1.00 20.02 H new ATOM 677 N PRO A 41 -4.605 -6.165 -3.904 1.00 23.22 N ATOM 678 CA PRO A 41 -5.563 -6.560 -4.935 1.00 35.11 C ATOM 679 C PRO A 41 -5.910 -8.043 -4.854 1.00 63.20 C ATOM 680 O PRO A 41 -7.076 -8.414 -4.717 1.00 43.41 O ATOM 681 CB PRO A 41 -4.847 -6.244 -6.255 1.00 5.55 C ATOM 682 CG PRO A 41 -3.638 -5.451 -5.882 1.00 53.11 C ATOM 683 CD PRO A 41 -3.292 -5.847 -4.478 1.00 22.33 C ATOM 0 HA PRO A 41 -6.511 -6.034 -4.827 1.00 35.11 H new ATOM 0 HB2 PRO A 41 -4.569 -7.159 -6.778 1.00 5.55 H new ATOM 0 HB3 PRO A 41 -5.494 -5.678 -6.925 1.00 5.55 H new ATOM 0 HG2 PRO A 41 -2.811 -5.661 -6.560 1.00 53.11 H new ATOM 0 HG3 PRO A 41 -3.839 -4.382 -5.946 1.00 53.11 H new ATOM 0 HD2 PRO A 41 -2.620 -6.705 -4.452 1.00 22.33 H new ATOM 0 HD3 PRO A 41 -2.798 -5.039 -3.938 1.00 22.33 H new ATOM 691 N ALA A 42 -4.894 -8.888 -4.928 1.00 62.24 N ATOM 692 CA ALA A 42 -5.087 -10.322 -4.791 1.00 22.40 C ATOM 693 C ALA A 42 -3.941 -10.939 -4.006 1.00 21.14 C ATOM 694 O ALA A 42 -3.780 -12.161 -3.961 1.00 32.30 O ATOM 695 CB ALA A 42 -5.211 -10.975 -6.157 1.00 71.24 C ATOM 0 H ALA A 42 -3.926 -8.605 -5.082 1.00 62.24 H new ATOM 0 HA ALA A 42 -6.013 -10.495 -4.243 1.00 22.40 H new ATOM 0 HB1 ALA A 42 -5.355 -12.049 -6.035 1.00 71.24 H new ATOM 0 HB2 ALA A 42 -6.065 -10.552 -6.686 1.00 71.24 H new ATOM 0 HB3 ALA A 42 -4.302 -10.794 -6.731 1.00 71.24 H new ATOM 701 N ILE A 43 -3.159 -10.084 -3.372 1.00 62.05 N ATOM 702 CA ILE A 43 -1.986 -10.514 -2.628 1.00 22.21 C ATOM 703 C ILE A 43 -2.218 -10.398 -1.126 1.00 22.01 C ATOM 704 O ILE A 43 -1.277 -10.244 -0.360 1.00 31.20 O ATOM 705 CB ILE A 43 -0.748 -9.679 -3.016 1.00 3.42 C ATOM 706 CG1 ILE A 43 -1.070 -8.183 -2.950 1.00 61.33 C ATOM 707 CG2 ILE A 43 -0.264 -10.066 -4.408 1.00 14.12 C ATOM 708 CD1 ILE A 43 0.150 -7.293 -3.052 1.00 22.12 C ATOM 0 H ILE A 43 -3.317 -9.076 -3.357 1.00 62.05 H new ATOM 0 HA ILE A 43 -1.807 -11.559 -2.882 1.00 22.21 H new ATOM 0 HB ILE A 43 0.051 -9.888 -2.304 1.00 3.42 H new ATOM 0 HG12 ILE A 43 -1.760 -7.933 -3.756 1.00 61.33 H new ATOM 0 HG13 ILE A 43 -1.585 -7.972 -2.013 1.00 61.33 H new ATOM 0 HG21 ILE A 43 0.610 -9.469 -4.668 1.00 14.12 H new ATOM 0 HG22 ILE A 43 0.002 -11.123 -4.420 1.00 14.12 H new ATOM 0 HG23 ILE A 43 -1.057 -9.883 -5.133 1.00 14.12 H new ATOM 0 HD11 ILE A 43 -0.156 -6.248 -2.998 1.00 22.12 H new ATOM 0 HD12 ILE A 43 0.832 -7.514 -2.231 1.00 22.12 H new ATOM 0 HD13 ILE A 43 0.654 -7.474 -4.001 1.00 22.12 H new ATOM 720 N GLY A 44 -3.473 -10.488 -0.706 1.00 31.21 N ATOM 721 CA GLY A 44 -3.785 -10.380 0.708 1.00 23.24 C ATOM 722 C GLY A 44 -3.153 -11.489 1.530 1.00 33.45 C ATOM 723 O GLY A 44 -2.587 -11.240 2.594 1.00 53.01 O ATOM 0 H GLY A 44 -4.278 -10.633 -1.315 1.00 31.21 H new ATOM 0 HA2 GLY A 44 -3.440 -9.415 1.080 1.00 23.24 H new ATOM 0 HA3 GLY A 44 -4.867 -10.405 0.841 1.00 23.24 H new ATOM 727 N SER A 45 -3.218 -12.712 1.019 1.00 65.33 N ATOM 728 CA SER A 45 -2.663 -13.867 1.713 1.00 4.24 C ATOM 729 C SER A 45 -1.160 -13.993 1.456 1.00 73.03 C ATOM 730 O SER A 45 -0.533 -14.987 1.831 1.00 25.41 O ATOM 731 CB SER A 45 -3.390 -15.133 1.257 1.00 24.13 C ATOM 732 OG SER A 45 -3.459 -15.199 -0.159 1.00 21.15 O ATOM 0 H SER A 45 -3.652 -12.930 0.122 1.00 65.33 H new ATOM 0 HA SER A 45 -2.807 -13.733 2.785 1.00 4.24 H new ATOM 0 HB2 SER A 45 -2.872 -16.012 1.641 1.00 24.13 H new ATOM 0 HB3 SER A 45 -4.397 -15.149 1.675 1.00 24.13 H new ATOM 0 HG SER A 45 -3.927 -16.018 -0.426 1.00 21.15 H new ATOM 738 N LEU A 46 -0.587 -12.973 0.833 1.00 62.42 N ATOM 739 CA LEU A 46 0.825 -12.980 0.495 1.00 31.35 C ATOM 740 C LEU A 46 1.655 -12.572 1.710 1.00 12.14 C ATOM 741 O LEU A 46 1.252 -11.700 2.488 1.00 54.03 O ATOM 742 CB LEU A 46 1.087 -12.026 -0.674 1.00 34.33 C ATOM 743 CG LEU A 46 2.453 -12.155 -1.344 1.00 52.11 C ATOM 744 CD1 LEU A 46 2.551 -13.462 -2.117 1.00 63.23 C ATOM 745 CD2 LEU A 46 2.708 -10.967 -2.259 1.00 23.20 C ATOM 0 H LEU A 46 -1.083 -12.127 0.551 1.00 62.42 H new ATOM 0 HA LEU A 46 1.115 -13.987 0.197 1.00 31.35 H new ATOM 0 HB2 LEU A 46 0.317 -12.186 -1.428 1.00 34.33 H new ATOM 0 HB3 LEU A 46 0.974 -11.003 -0.316 1.00 34.33 H new ATOM 0 HG LEU A 46 3.219 -12.163 -0.569 1.00 52.11 H new ATOM 0 HD11 LEU A 46 3.532 -13.534 -2.587 1.00 63.23 H new ATOM 0 HD12 LEU A 46 2.413 -14.300 -1.434 1.00 63.23 H new ATOM 0 HD13 LEU A 46 1.778 -13.489 -2.885 1.00 63.23 H new ATOM 0 HD21 LEU A 46 3.686 -11.073 -2.729 1.00 23.20 H new ATOM 0 HD22 LEU A 46 1.937 -10.929 -3.029 1.00 23.20 H new ATOM 0 HD23 LEU A 46 2.684 -10.047 -1.675 1.00 23.20 H new ATOM 757 N LYS A 47 2.793 -13.229 1.888 1.00 70.22 N ATOM 758 CA LYS A 47 3.713 -12.901 2.958 1.00 4.14 C ATOM 759 C LYS A 47 4.252 -11.489 2.764 1.00 23.54 C ATOM 760 O LYS A 47 4.444 -11.044 1.631 1.00 64.31 O ATOM 761 CB LYS A 47 4.867 -13.905 2.969 1.00 45.04 C ATOM 762 CG LYS A 47 5.698 -13.881 4.240 1.00 50.04 C ATOM 763 CD LYS A 47 4.897 -14.367 5.436 1.00 33.12 C ATOM 764 CE LYS A 47 4.394 -15.790 5.237 1.00 25.44 C ATOM 765 NZ LYS A 47 3.735 -16.326 6.456 1.00 12.20 N ATOM 0 H LYS A 47 3.100 -14.000 1.295 1.00 70.22 H new ATOM 0 HA LYS A 47 3.188 -12.950 3.912 1.00 4.14 H new ATOM 0 HB2 LYS A 47 4.463 -14.908 2.831 1.00 45.04 H new ATOM 0 HB3 LYS A 47 5.518 -13.703 2.118 1.00 45.04 H new ATOM 0 HG2 LYS A 47 6.580 -14.509 4.112 1.00 50.04 H new ATOM 0 HG3 LYS A 47 6.053 -12.867 4.425 1.00 50.04 H new ATOM 0 HD2 LYS A 47 5.517 -14.322 6.331 1.00 33.12 H new ATOM 0 HD3 LYS A 47 4.050 -13.701 5.601 1.00 33.12 H new ATOM 0 HE2 LYS A 47 3.690 -15.812 4.405 1.00 25.44 H new ATOM 0 HE3 LYS A 47 5.230 -16.434 4.964 1.00 25.44 H new ATOM 0 HZ1 LYS A 47 4.289 -17.124 6.828 1.00 12.20 H new ATOM 0 HZ2 LYS A 47 3.678 -15.579 7.177 1.00 12.20 H new ATOM 0 HZ3 LYS A 47 2.776 -16.651 6.218 1.00 12.20 H new ATOM 779 N VAL A 48 4.498 -10.795 3.865 1.00 23.52 N ATOM 780 CA VAL A 48 5.022 -9.434 3.813 1.00 15.22 C ATOM 781 C VAL A 48 6.377 -9.405 3.099 1.00 41.21 C ATOM 782 O VAL A 48 6.777 -8.388 2.543 1.00 62.45 O ATOM 783 CB VAL A 48 5.170 -8.834 5.230 1.00 11.01 C ATOM 784 CG1 VAL A 48 5.541 -7.359 5.164 1.00 42.42 C ATOM 785 CG2 VAL A 48 3.889 -9.026 6.030 1.00 2.22 C ATOM 0 H VAL A 48 4.344 -11.151 4.808 1.00 23.52 H new ATOM 0 HA VAL A 48 4.308 -8.830 3.254 1.00 15.22 H new ATOM 0 HB VAL A 48 5.977 -9.363 5.736 1.00 11.01 H new ATOM 0 HG11 VAL A 48 5.639 -6.963 6.175 1.00 42.42 H new ATOM 0 HG12 VAL A 48 6.488 -7.245 4.637 1.00 42.42 H new ATOM 0 HG13 VAL A 48 4.762 -6.811 4.633 1.00 42.42 H new ATOM 0 HG21 VAL A 48 4.013 -8.597 7.024 1.00 2.22 H new ATOM 0 HG22 VAL A 48 3.064 -8.528 5.521 1.00 2.22 H new ATOM 0 HG23 VAL A 48 3.671 -10.090 6.119 1.00 2.22 H new ATOM 795 N GLU A 49 7.070 -10.537 3.104 1.00 34.30 N ATOM 796 CA GLU A 49 8.380 -10.635 2.471 1.00 50.14 C ATOM 797 C GLU A 49 8.274 -10.735 0.951 1.00 21.40 C ATOM 798 O GLU A 49 9.255 -10.518 0.242 1.00 44.32 O ATOM 799 CB GLU A 49 9.134 -11.852 2.999 1.00 54.34 C ATOM 800 CG GLU A 49 9.421 -11.805 4.487 1.00 13.14 C ATOM 801 CD GLU A 49 10.246 -12.987 4.939 1.00 62.52 C ATOM 802 OE1 GLU A 49 11.468 -12.991 4.685 1.00 1.45 O ATOM 803 OE2 GLU A 49 9.673 -13.927 5.530 1.00 0.42 O ATOM 0 H GLU A 49 6.747 -11.401 3.540 1.00 34.30 H new ATOM 0 HA GLU A 49 8.923 -9.723 2.718 1.00 50.14 H new ATOM 0 HB2 GLU A 49 8.554 -12.748 2.780 1.00 54.34 H new ATOM 0 HB3 GLU A 49 10.077 -11.943 2.461 1.00 54.34 H new ATOM 0 HG2 GLU A 49 9.948 -10.882 4.726 1.00 13.14 H new ATOM 0 HG3 GLU A 49 8.481 -11.787 5.038 1.00 13.14 H new ATOM 810 N ASP A 50 7.089 -11.064 0.450 1.00 33.10 N ATOM 811 CA ASP A 50 6.917 -11.311 -0.979 1.00 33.20 C ATOM 812 C ASP A 50 6.440 -10.069 -1.720 1.00 5.51 C ATOM 813 O ASP A 50 6.349 -10.073 -2.949 1.00 21.12 O ATOM 814 CB ASP A 50 5.938 -12.462 -1.228 1.00 2.51 C ATOM 815 CG ASP A 50 6.556 -13.829 -1.014 1.00 50.43 C ATOM 816 OD1 ASP A 50 7.639 -14.094 -1.585 1.00 4.45 O ATOM 817 OD2 ASP A 50 5.950 -14.658 -0.304 1.00 31.14 O ATOM 0 H ASP A 50 6.239 -11.166 1.005 1.00 33.10 H new ATOM 0 HA ASP A 50 7.898 -11.585 -1.366 1.00 33.20 H new ATOM 0 HB2 ASP A 50 5.080 -12.351 -0.565 1.00 2.51 H new ATOM 0 HB3 ASP A 50 5.562 -12.396 -2.249 1.00 2.51 H new ATOM 822 N VAL A 51 6.136 -9.000 -0.992 1.00 50.13 N ATOM 823 CA VAL A 51 5.674 -7.777 -1.631 1.00 33.33 C ATOM 824 C VAL A 51 6.862 -6.962 -2.163 1.00 62.34 C ATOM 825 O VAL A 51 7.288 -5.955 -1.591 1.00 64.02 O ATOM 826 CB VAL A 51 4.758 -6.929 -0.705 1.00 15.54 C ATOM 827 CG1 VAL A 51 5.468 -6.515 0.577 1.00 75.04 C ATOM 828 CG2 VAL A 51 4.216 -5.711 -1.443 1.00 33.43 C ATOM 0 H VAL A 51 6.200 -8.956 0.025 1.00 50.13 H new ATOM 0 HA VAL A 51 5.055 -8.068 -2.480 1.00 33.33 H new ATOM 0 HB VAL A 51 3.917 -7.561 -0.419 1.00 15.54 H new ATOM 0 HG11 VAL A 51 4.791 -5.924 1.194 1.00 75.04 H new ATOM 0 HG12 VAL A 51 5.776 -7.405 1.126 1.00 75.04 H new ATOM 0 HG13 VAL A 51 6.347 -5.919 0.330 1.00 75.04 H new ATOM 0 HG21 VAL A 51 3.578 -5.134 -0.774 1.00 33.43 H new ATOM 0 HG22 VAL A 51 5.046 -5.089 -1.778 1.00 33.43 H new ATOM 0 HG23 VAL A 51 3.635 -6.037 -2.306 1.00 33.43 H new ATOM 838 N LYS A 52 7.423 -7.451 -3.258 1.00 62.42 N ATOM 839 CA LYS A 52 8.525 -6.779 -3.927 1.00 44.41 C ATOM 840 C LYS A 52 8.024 -5.540 -4.671 1.00 44.41 C ATOM 841 O LYS A 52 6.834 -5.448 -4.987 1.00 63.35 O ATOM 842 CB LYS A 52 9.218 -7.749 -4.890 1.00 25.44 C ATOM 843 CG LYS A 52 8.318 -8.275 -5.995 1.00 21.34 C ATOM 844 CD LYS A 52 9.045 -9.277 -6.876 1.00 23.01 C ATOM 845 CE LYS A 52 9.464 -10.514 -6.097 1.00 73.41 C ATOM 846 NZ LYS A 52 10.090 -11.535 -6.976 1.00 41.10 N ATOM 0 H LYS A 52 7.129 -8.319 -3.705 1.00 62.42 H new ATOM 0 HA LYS A 52 9.248 -6.453 -3.179 1.00 44.41 H new ATOM 0 HB2 LYS A 52 10.074 -7.247 -5.341 1.00 25.44 H new ATOM 0 HB3 LYS A 52 9.608 -8.593 -4.321 1.00 25.44 H new ATOM 0 HG2 LYS A 52 7.438 -8.746 -5.556 1.00 21.34 H new ATOM 0 HG3 LYS A 52 7.964 -7.443 -6.604 1.00 21.34 H new ATOM 0 HD2 LYS A 52 8.398 -9.570 -7.703 1.00 23.01 H new ATOM 0 HD3 LYS A 52 9.926 -8.806 -7.312 1.00 23.01 H new ATOM 0 HE2 LYS A 52 10.166 -10.229 -5.314 1.00 73.41 H new ATOM 0 HE3 LYS A 52 8.593 -10.945 -5.603 1.00 73.41 H new ATOM 0 HZ1 LYS A 52 10.362 -12.363 -6.408 1.00 41.10 H new ATOM 0 HZ2 LYS A 52 9.411 -11.826 -7.709 1.00 41.10 H new ATOM 0 HZ3 LYS A 52 10.936 -11.133 -7.428 1.00 41.10 H new ATOM 860 N PRO A 53 8.926 -4.579 -4.958 1.00 70.22 N ATOM 861 CA PRO A 53 8.585 -3.312 -5.629 1.00 52.05 C ATOM 862 C PRO A 53 7.713 -3.488 -6.872 1.00 41.25 C ATOM 863 O PRO A 53 6.854 -2.656 -7.148 1.00 31.32 O ATOM 864 CB PRO A 53 9.951 -2.745 -6.017 1.00 60.12 C ATOM 865 CG PRO A 53 10.881 -3.278 -4.986 1.00 65.53 C ATOM 866 CD PRO A 53 10.367 -4.647 -4.633 1.00 70.35 C ATOM 0 HA PRO A 53 7.994 -2.668 -4.977 1.00 52.05 H new ATOM 0 HB2 PRO A 53 10.243 -3.063 -7.018 1.00 60.12 H new ATOM 0 HB3 PRO A 53 9.943 -1.655 -6.019 1.00 60.12 H new ATOM 0 HG2 PRO A 53 11.900 -3.331 -5.369 1.00 65.53 H new ATOM 0 HG3 PRO A 53 10.903 -2.631 -4.109 1.00 65.53 H new ATOM 0 HD2 PRO A 53 10.870 -5.424 -5.209 1.00 70.35 H new ATOM 0 HD3 PRO A 53 10.529 -4.875 -3.580 1.00 70.35 H new ATOM 874 N ARG A 54 7.929 -4.576 -7.611 1.00 24.22 N ATOM 875 CA ARG A 54 7.154 -4.854 -8.821 1.00 5.34 C ATOM 876 C ARG A 54 5.652 -4.902 -8.547 1.00 25.34 C ATOM 877 O ARG A 54 4.858 -4.431 -9.357 1.00 13.30 O ATOM 878 CB ARG A 54 7.611 -6.162 -9.465 1.00 10.44 C ATOM 879 CG ARG A 54 8.799 -5.985 -10.392 1.00 70.14 C ATOM 880 CD ARG A 54 8.468 -5.003 -11.501 1.00 25.44 C ATOM 881 NE ARG A 54 9.585 -4.798 -12.418 1.00 12.33 N ATOM 882 CZ ARG A 54 9.606 -3.849 -13.356 1.00 54.13 C ATOM 883 NH1 ARG A 54 8.574 -3.019 -13.495 1.00 12.01 N ATOM 884 NH2 ARG A 54 10.663 -3.728 -14.149 1.00 70.30 N ATOM 0 H ARG A 54 8.634 -5.280 -7.393 1.00 24.22 H new ATOM 0 HA ARG A 54 7.337 -4.030 -9.511 1.00 5.34 H new ATOM 0 HB2 ARG A 54 7.872 -6.874 -8.682 1.00 10.44 H new ATOM 0 HB3 ARG A 54 6.782 -6.594 -10.025 1.00 10.44 H new ATOM 0 HG2 ARG A 54 9.659 -5.627 -9.826 1.00 70.14 H new ATOM 0 HG3 ARG A 54 9.079 -6.947 -10.822 1.00 70.14 H new ATOM 0 HD2 ARG A 54 7.606 -5.368 -12.059 1.00 25.44 H new ATOM 0 HD3 ARG A 54 8.182 -4.047 -11.062 1.00 25.44 H new ATOM 0 HE ARG A 54 10.394 -5.414 -12.337 1.00 12.33 H new ATOM 0 HH11 ARG A 54 7.763 -3.107 -12.883 1.00 12.01 H new ATOM 0 HH12 ARG A 54 8.595 -2.295 -14.213 1.00 12.01 H new ATOM 0 HH21 ARG A 54 11.457 -4.359 -14.041 1.00 70.30 H new ATOM 0 HH22 ARG A 54 10.682 -3.004 -14.867 1.00 70.30 H new ATOM 898 N HIS A 55 5.265 -5.454 -7.404 1.00 13.23 N ATOM 899 CA HIS A 55 3.849 -5.529 -7.045 1.00 50.11 C ATOM 900 C HIS A 55 3.271 -4.128 -6.890 1.00 61.15 C ATOM 901 O HIS A 55 2.126 -3.870 -7.254 1.00 63.54 O ATOM 902 CB HIS A 55 3.638 -6.320 -5.752 1.00 73.45 C ATOM 903 CG HIS A 55 4.002 -7.770 -5.854 1.00 64.32 C ATOM 904 ND1 HIS A 55 3.373 -8.647 -6.706 1.00 14.42 N ATOM 905 CD2 HIS A 55 4.936 -8.496 -5.198 1.00 53.11 C ATOM 906 CE1 HIS A 55 3.904 -9.847 -6.571 1.00 30.12 C ATOM 907 NE2 HIS A 55 4.854 -9.781 -5.663 1.00 14.13 N ATOM 0 H HIS A 55 5.902 -5.853 -6.714 1.00 13.23 H new ATOM 0 HA HIS A 55 3.331 -6.050 -7.850 1.00 50.11 H new ATOM 0 HB2 HIS A 55 4.230 -5.863 -4.959 1.00 73.45 H new ATOM 0 HB3 HIS A 55 2.592 -6.239 -5.456 1.00 73.45 H new ATOM 0 HD2 HIS A 55 5.620 -8.130 -4.447 1.00 53.11 H new ATOM 0 HE1 HIS A 55 3.609 -10.733 -7.114 1.00 30.12 H new ATOM 0 HE2 HIS A 55 5.435 -10.561 -5.355 1.00 14.13 H new ATOM 916 N ILE A 56 4.082 -3.228 -6.354 1.00 32.30 N ATOM 917 CA ILE A 56 3.681 -1.840 -6.172 1.00 71.31 C ATOM 918 C ILE A 56 3.700 -1.110 -7.512 1.00 40.34 C ATOM 919 O ILE A 56 2.858 -0.261 -7.787 1.00 53.11 O ATOM 920 CB ILE A 56 4.617 -1.121 -5.170 1.00 20.24 C ATOM 921 CG1 ILE A 56 4.674 -1.886 -3.843 1.00 52.34 C ATOM 922 CG2 ILE A 56 4.166 0.314 -4.933 1.00 60.20 C ATOM 923 CD1 ILE A 56 3.328 -2.031 -3.164 1.00 2.20 C ATOM 0 H ILE A 56 5.028 -3.436 -6.035 1.00 32.30 H new ATOM 0 HA ILE A 56 2.669 -1.828 -5.768 1.00 71.31 H new ATOM 0 HB ILE A 56 5.617 -1.097 -5.603 1.00 20.24 H new ATOM 0 HG12 ILE A 56 5.088 -2.878 -4.023 1.00 52.34 H new ATOM 0 HG13 ILE A 56 5.358 -1.373 -3.167 1.00 52.34 H new ATOM 0 HG21 ILE A 56 4.841 0.795 -4.225 1.00 60.20 H new ATOM 0 HG22 ILE A 56 4.179 0.860 -5.876 1.00 60.20 H new ATOM 0 HG23 ILE A 56 3.154 0.315 -4.527 1.00 60.20 H new ATOM 0 HD11 ILE A 56 3.448 -2.583 -2.232 1.00 2.20 H new ATOM 0 HD12 ILE A 56 2.920 -1.043 -2.951 1.00 2.20 H new ATOM 0 HD13 ILE A 56 2.646 -2.572 -3.820 1.00 2.20 H new ATOM 935 N ASP A 57 4.656 -1.476 -8.352 1.00 1.11 N ATOM 936 CA ASP A 57 4.802 -0.873 -9.671 1.00 64.31 C ATOM 937 C ASP A 57 3.567 -1.159 -10.521 1.00 64.41 C ATOM 938 O ASP A 57 3.066 -0.283 -11.230 1.00 24.14 O ATOM 939 CB ASP A 57 6.059 -1.422 -10.355 1.00 40.11 C ATOM 940 CG ASP A 57 6.354 -0.749 -11.681 1.00 71.13 C ATOM 941 OD1 ASP A 57 6.867 0.391 -11.675 1.00 75.22 O ATOM 942 OD2 ASP A 57 6.110 -1.368 -12.736 1.00 23.31 O ATOM 0 H ASP A 57 5.349 -2.194 -8.142 1.00 1.11 H new ATOM 0 HA ASP A 57 4.902 0.207 -9.560 1.00 64.31 H new ATOM 0 HB2 ASP A 57 6.913 -1.293 -9.690 1.00 40.11 H new ATOM 0 HB3 ASP A 57 5.940 -2.493 -10.516 1.00 40.11 H new ATOM 947 N ASP A 58 3.071 -2.389 -10.416 1.00 1.05 N ATOM 948 CA ASP A 58 1.879 -2.815 -11.152 1.00 13.05 C ATOM 949 C ASP A 58 0.626 -2.089 -10.682 1.00 22.21 C ATOM 950 O ASP A 58 -0.256 -1.784 -11.488 1.00 5.24 O ATOM 951 CB ASP A 58 1.663 -4.328 -11.021 1.00 4.54 C ATOM 952 CG ASP A 58 2.402 -5.128 -12.076 1.00 30.40 C ATOM 953 OD1 ASP A 58 1.935 -5.159 -13.235 1.00 42.23 O ATOM 954 OD2 ASP A 58 3.440 -5.739 -11.751 1.00 51.23 O ATOM 0 H ASP A 58 3.478 -3.114 -9.825 1.00 1.05 H new ATOM 0 HA ASP A 58 2.054 -2.560 -12.197 1.00 13.05 H new ATOM 0 HB2 ASP A 58 1.990 -4.651 -10.033 1.00 4.54 H new ATOM 0 HB3 ASP A 58 0.597 -4.544 -11.090 1.00 4.54 H new ATOM 959 N VAL A 59 0.534 -1.811 -9.390 1.00 63.32 N ATOM 960 CA VAL A 59 -0.655 -1.163 -8.856 1.00 75.13 C ATOM 961 C VAL A 59 -0.593 0.352 -9.041 1.00 2.03 C ATOM 962 O VAL A 59 -1.613 0.990 -9.291 1.00 3.24 O ATOM 963 CB VAL A 59 -0.907 -1.516 -7.370 1.00 54.24 C ATOM 964 CG1 VAL A 59 -1.075 -3.018 -7.208 1.00 20.14 C ATOM 965 CG2 VAL A 59 0.207 -1.009 -6.469 1.00 20.04 C ATOM 0 H VAL A 59 1.256 -2.020 -8.701 1.00 63.32 H new ATOM 0 HA VAL A 59 -1.498 -1.550 -9.429 1.00 75.13 H new ATOM 0 HB VAL A 59 -1.827 -1.017 -7.065 1.00 54.24 H new ATOM 0 HG11 VAL A 59 -1.252 -3.253 -6.158 1.00 20.14 H new ATOM 0 HG12 VAL A 59 -1.923 -3.356 -7.803 1.00 20.14 H new ATOM 0 HG13 VAL A 59 -0.171 -3.524 -7.546 1.00 20.14 H new ATOM 0 HG21 VAL A 59 -0.010 -1.278 -5.435 1.00 20.04 H new ATOM 0 HG22 VAL A 59 1.152 -1.460 -6.771 1.00 20.04 H new ATOM 0 HG23 VAL A 59 0.279 0.075 -6.554 1.00 20.04 H new ATOM 975 N LEU A 60 0.606 0.923 -8.955 1.00 74.50 N ATOM 976 CA LEU A 60 0.775 2.359 -9.146 1.00 52.14 C ATOM 977 C LEU A 60 0.405 2.764 -10.567 1.00 34.52 C ATOM 978 O LEU A 60 -0.284 3.760 -10.774 1.00 54.23 O ATOM 979 CB LEU A 60 2.210 2.794 -8.837 1.00 60.13 C ATOM 980 CG LEU A 60 2.607 2.749 -7.359 1.00 11.13 C ATOM 981 CD1 LEU A 60 4.037 3.233 -7.181 1.00 43.23 C ATOM 982 CD2 LEU A 60 1.648 3.586 -6.524 1.00 74.04 C ATOM 0 H LEU A 60 1.469 0.417 -8.756 1.00 74.50 H new ATOM 0 HA LEU A 60 0.104 2.863 -8.450 1.00 52.14 H new ATOM 0 HB2 LEU A 60 2.893 2.157 -9.399 1.00 60.13 H new ATOM 0 HB3 LEU A 60 2.350 3.811 -9.202 1.00 60.13 H new ATOM 0 HG LEU A 60 2.548 1.717 -7.014 1.00 11.13 H new ATOM 0 HD11 LEU A 60 4.305 3.195 -6.125 1.00 43.23 H new ATOM 0 HD12 LEU A 60 4.711 2.593 -7.750 1.00 43.23 H new ATOM 0 HD13 LEU A 60 4.121 4.259 -7.540 1.00 43.23 H new ATOM 0 HD21 LEU A 60 1.945 3.543 -5.476 1.00 74.04 H new ATOM 0 HD22 LEU A 60 1.675 4.620 -6.866 1.00 74.04 H new ATOM 0 HD23 LEU A 60 0.636 3.195 -6.631 1.00 74.04 H new ATOM 994 N LYS A 61 0.849 1.981 -11.543 1.00 60.13 N ATOM 995 CA LYS A 61 0.542 2.270 -12.939 1.00 41.12 C ATOM 996 C LYS A 61 -0.959 2.122 -13.202 1.00 0.24 C ATOM 997 O LYS A 61 -1.533 2.844 -14.017 1.00 62.14 O ATOM 998 CB LYS A 61 1.357 1.364 -13.874 1.00 52.33 C ATOM 999 CG LYS A 61 1.053 -0.117 -13.738 1.00 34.03 C ATOM 1000 CD LYS A 61 1.939 -0.951 -14.646 1.00 71.24 C ATOM 1001 CE LYS A 61 1.596 -2.427 -14.545 1.00 65.31 C ATOM 1002 NZ LYS A 61 2.546 -3.280 -15.303 1.00 63.01 N ATOM 0 H LYS A 61 1.418 1.148 -11.396 1.00 60.13 H new ATOM 0 HA LYS A 61 0.821 3.303 -13.145 1.00 41.12 H new ATOM 0 HB2 LYS A 61 1.172 1.667 -14.905 1.00 52.33 H new ATOM 0 HB3 LYS A 61 2.418 1.524 -13.680 1.00 52.33 H new ATOM 0 HG2 LYS A 61 1.198 -0.426 -12.703 1.00 34.03 H new ATOM 0 HG3 LYS A 61 0.006 -0.299 -13.982 1.00 34.03 H new ATOM 0 HD2 LYS A 61 1.823 -0.618 -15.677 1.00 71.24 H new ATOM 0 HD3 LYS A 61 2.984 -0.799 -14.378 1.00 71.24 H new ATOM 0 HE2 LYS A 61 1.598 -2.727 -13.497 1.00 65.31 H new ATOM 0 HE3 LYS A 61 0.586 -2.589 -14.921 1.00 65.31 H new ATOM 0 HZ1 LYS A 61 2.647 -4.198 -14.824 1.00 63.01 H new ATOM 0 HZ2 LYS A 61 2.185 -3.430 -16.267 1.00 63.01 H new ATOM 0 HZ3 LYS A 61 3.473 -2.810 -15.350 1.00 63.01 H new ATOM 1016 N ALA A 62 -1.595 1.205 -12.482 1.00 22.31 N ATOM 1017 CA ALA A 62 -3.019 0.943 -12.663 1.00 73.24 C ATOM 1018 C ALA A 62 -3.878 2.024 -12.010 1.00 74.52 C ATOM 1019 O ALA A 62 -4.933 2.387 -12.531 1.00 71.52 O ATOM 1020 CB ALA A 62 -3.379 -0.425 -12.103 1.00 62.34 C ATOM 0 H ALA A 62 -1.148 0.630 -11.768 1.00 22.31 H new ATOM 0 HA ALA A 62 -3.225 0.957 -13.733 1.00 73.24 H new ATOM 0 HB1 ALA A 62 -4.444 -0.607 -12.245 1.00 62.34 H new ATOM 0 HB2 ALA A 62 -2.807 -1.193 -12.623 1.00 62.34 H new ATOM 0 HB3 ALA A 62 -3.144 -0.456 -11.039 1.00 62.34 H new ATOM 1026 N VAL A 63 -3.436 2.542 -10.871 1.00 13.01 N ATOM 1027 CA VAL A 63 -4.200 3.565 -10.168 1.00 52.33 C ATOM 1028 C VAL A 63 -4.002 4.941 -10.809 1.00 73.33 C ATOM 1029 O VAL A 63 -4.907 5.777 -10.793 1.00 55.22 O ATOM 1030 CB VAL A 63 -3.851 3.614 -8.656 1.00 62.42 C ATOM 1031 CG1 VAL A 63 -2.404 4.015 -8.429 1.00 52.31 C ATOM 1032 CG2 VAL A 63 -4.789 4.551 -7.910 1.00 75.32 C ATOM 0 H VAL A 63 -2.562 2.274 -10.418 1.00 13.01 H new ATOM 0 HA VAL A 63 -5.251 3.291 -10.255 1.00 52.33 H new ATOM 0 HB VAL A 63 -3.983 2.607 -8.260 1.00 62.42 H new ATOM 0 HG11 VAL A 63 -2.197 4.039 -7.359 1.00 52.31 H new ATOM 0 HG12 VAL A 63 -1.746 3.291 -8.910 1.00 52.31 H new ATOM 0 HG13 VAL A 63 -2.229 5.003 -8.854 1.00 52.31 H new ATOM 0 HG21 VAL A 63 -4.523 4.567 -6.853 1.00 75.32 H new ATOM 0 HG22 VAL A 63 -4.702 5.557 -8.321 1.00 75.32 H new ATOM 0 HG23 VAL A 63 -5.816 4.202 -8.020 1.00 75.32 H new ATOM 1042 N MET A 64 -2.835 5.167 -11.406 1.00 73.32 N ATOM 1043 CA MET A 64 -2.542 6.463 -12.010 1.00 72.24 C ATOM 1044 C MET A 64 -3.244 6.625 -13.357 1.00 33.55 C ATOM 1045 O MET A 64 -3.545 7.744 -13.767 1.00 52.33 O ATOM 1046 CB MET A 64 -1.028 6.677 -12.175 1.00 22.54 C ATOM 1047 CG MET A 64 -0.364 5.738 -13.170 1.00 34.22 C ATOM 1048 SD MET A 64 1.385 6.106 -13.427 1.00 0.23 S ATOM 1049 CE MET A 64 2.031 5.932 -11.764 1.00 44.21 C ATOM 0 H MET A 64 -2.086 4.479 -11.484 1.00 73.32 H new ATOM 0 HA MET A 64 -2.925 7.223 -11.330 1.00 72.24 H new ATOM 0 HB2 MET A 64 -0.851 7.705 -12.491 1.00 22.54 H new ATOM 0 HB3 MET A 64 -0.548 6.555 -11.204 1.00 22.54 H new ATOM 0 HG2 MET A 64 -0.466 4.712 -12.817 1.00 34.22 H new ATOM 0 HG3 MET A 64 -0.887 5.800 -14.124 1.00 34.22 H new ATOM 0 HE1 MET A 64 3.109 6.095 -11.773 1.00 44.21 H new ATOM 0 HE2 MET A 64 1.558 6.666 -11.111 1.00 44.21 H new ATOM 0 HE3 MET A 64 1.819 4.929 -11.395 1.00 44.21 H new ATOM 1059 N LYS A 65 -3.522 5.516 -14.038 1.00 33.41 N ATOM 1060 CA LYS A 65 -4.111 5.586 -15.371 1.00 64.22 C ATOM 1061 C LYS A 65 -5.592 5.969 -15.321 1.00 31.55 C ATOM 1062 O LYS A 65 -6.024 6.892 -16.013 1.00 63.43 O ATOM 1063 CB LYS A 65 -3.922 4.266 -16.130 1.00 20.23 C ATOM 1064 CG LYS A 65 -4.573 3.059 -15.476 1.00 0.34 C ATOM 1065 CD LYS A 65 -4.490 1.828 -16.363 1.00 11.24 C ATOM 1066 CE LYS A 65 -5.218 2.040 -17.681 1.00 22.21 C ATOM 1067 NZ LYS A 65 -5.186 0.824 -18.533 1.00 41.13 N ATOM 0 H LYS A 65 -3.352 4.571 -13.694 1.00 33.41 H new ATOM 0 HA LYS A 65 -3.584 6.373 -15.911 1.00 64.22 H new ATOM 0 HB2 LYS A 65 -4.327 4.380 -17.136 1.00 20.23 H new ATOM 0 HB3 LYS A 65 -2.854 4.073 -16.236 1.00 20.23 H new ATOM 0 HG2 LYS A 65 -4.086 2.854 -14.523 1.00 0.34 H new ATOM 0 HG3 LYS A 65 -5.618 3.282 -15.259 1.00 0.34 H new ATOM 0 HD2 LYS A 65 -3.445 1.589 -16.558 1.00 11.24 H new ATOM 0 HD3 LYS A 65 -4.921 0.973 -15.842 1.00 11.24 H new ATOM 0 HE2 LYS A 65 -6.253 2.318 -17.483 1.00 22.21 H new ATOM 0 HE3 LYS A 65 -4.762 2.872 -18.218 1.00 22.21 H new ATOM 0 HZ1 LYS A 65 -5.693 1.010 -19.422 1.00 41.13 H new ATOM 0 HZ2 LYS A 65 -4.199 0.573 -18.743 1.00 41.13 H new ATOM 0 HZ3 LYS A 65 -5.644 0.036 -18.031 1.00 41.13 H new ATOM 1081 N ARG A 66 -6.363 5.269 -14.498 1.00 33.23 N ATOM 1082 CA ARG A 66 -7.806 5.500 -14.422 1.00 40.25 C ATOM 1083 C ARG A 66 -8.171 6.474 -13.305 1.00 11.54 C ATOM 1084 O ARG A 66 -9.289 6.990 -13.262 1.00 73.03 O ATOM 1085 CB ARG A 66 -8.563 4.168 -14.269 1.00 14.32 C ATOM 1086 CG ARG A 66 -7.959 3.197 -13.262 1.00 14.52 C ATOM 1087 CD ARG A 66 -8.228 3.609 -11.823 1.00 33.20 C ATOM 1088 NE ARG A 66 -7.560 2.723 -10.873 1.00 13.42 N ATOM 1089 CZ ARG A 66 -7.762 2.745 -9.555 1.00 21.42 C ATOM 1090 NH1 ARG A 66 -8.668 3.554 -9.021 1.00 53.33 N ATOM 1091 NH2 ARG A 66 -7.068 1.934 -8.770 1.00 51.34 N ATOM 0 H ARG A 66 -6.018 4.539 -13.875 1.00 33.23 H new ATOM 0 HA ARG A 66 -8.113 5.963 -15.360 1.00 40.25 H new ATOM 0 HB2 ARG A 66 -9.590 4.383 -13.973 1.00 14.32 H new ATOM 0 HB3 ARG A 66 -8.607 3.678 -15.242 1.00 14.32 H new ATOM 0 HG2 ARG A 66 -8.366 2.201 -13.434 1.00 14.52 H new ATOM 0 HG3 ARG A 66 -6.883 3.134 -13.423 1.00 14.52 H new ATOM 0 HD2 ARG A 66 -7.887 4.633 -11.668 1.00 33.20 H new ATOM 0 HD3 ARG A 66 -9.302 3.599 -11.636 1.00 33.20 H new ATOM 0 HE ARG A 66 -6.895 2.043 -11.242 1.00 13.42 H new ATOM 0 HH11 ARG A 66 -9.219 4.168 -9.620 1.00 53.33 H new ATOM 0 HH12 ARG A 66 -8.813 3.561 -8.011 1.00 53.33 H new ATOM 0 HH21 ARG A 66 -6.382 1.296 -9.174 1.00 51.34 H new ATOM 0 HH22 ARG A 66 -7.219 1.948 -7.761 1.00 51.34 H new ATOM 1105 N GLY A 67 -7.231 6.728 -12.411 1.00 44.30 N ATOM 1106 CA GLY A 67 -7.483 7.652 -11.328 1.00 3.42 C ATOM 1107 C GLY A 67 -6.798 8.979 -11.549 1.00 74.33 C ATOM 1108 O GLY A 67 -7.241 9.792 -12.364 1.00 12.13 O ATOM 0 H GLY A 67 -6.300 6.312 -12.415 1.00 44.30 H new ATOM 0 HA2 GLY A 67 -8.557 7.810 -11.228 1.00 3.42 H new ATOM 0 HA3 GLY A 67 -7.136 7.216 -10.391 1.00 3.42 H new ATOM 1112 N ALA A 68 -5.705 9.190 -10.836 1.00 42.25 N ATOM 1113 CA ALA A 68 -4.941 10.419 -10.947 1.00 23.03 C ATOM 1114 C ALA A 68 -3.539 10.212 -10.393 1.00 10.32 C ATOM 1115 O ALA A 68 -3.353 9.455 -9.438 1.00 12.34 O ATOM 1116 CB ALA A 68 -5.640 11.560 -10.217 1.00 65.35 C ATOM 0 H ALA A 68 -5.325 8.519 -10.169 1.00 42.25 H new ATOM 0 HA ALA A 68 -4.868 10.688 -12.001 1.00 23.03 H new ATOM 0 HB1 ALA A 68 -5.049 12.470 -10.314 1.00 65.35 H new ATOM 0 HB2 ALA A 68 -6.627 11.720 -10.652 1.00 65.35 H new ATOM 0 HB3 ALA A 68 -5.745 11.307 -9.162 1.00 65.35 H new ATOM 1122 N PRO A 69 -2.535 10.876 -10.988 1.00 13.44 N ATOM 1123 CA PRO A 69 -1.140 10.777 -10.542 1.00 13.22 C ATOM 1124 C PRO A 69 -0.984 11.116 -9.063 1.00 30.02 C ATOM 1125 O PRO A 69 -0.318 10.400 -8.319 1.00 32.24 O ATOM 1126 CB PRO A 69 -0.398 11.807 -11.407 1.00 11.41 C ATOM 1127 CG PRO A 69 -1.461 12.650 -12.029 1.00 65.02 C ATOM 1128 CD PRO A 69 -2.671 11.773 -12.147 1.00 31.23 C ATOM 0 HA PRO A 69 -0.755 9.763 -10.650 1.00 13.22 H new ATOM 0 HB2 PRO A 69 0.278 12.412 -10.803 1.00 11.41 H new ATOM 0 HB3 PRO A 69 0.208 11.316 -12.168 1.00 11.41 H new ATOM 0 HG2 PRO A 69 -1.673 13.526 -11.415 1.00 65.02 H new ATOM 0 HG3 PRO A 69 -1.147 13.014 -13.007 1.00 65.02 H new ATOM 0 HD2 PRO A 69 -3.595 12.350 -12.106 1.00 31.23 H new ATOM 0 HD3 PRO A 69 -2.681 11.221 -13.087 1.00 31.23 H new ATOM 1136 N SER A 70 -1.626 12.201 -8.640 1.00 3.43 N ATOM 1137 CA SER A 70 -1.560 12.648 -7.257 1.00 32.50 C ATOM 1138 C SER A 70 -2.095 11.580 -6.303 1.00 11.41 C ATOM 1139 O SER A 70 -1.591 11.426 -5.194 1.00 53.32 O ATOM 1140 CB SER A 70 -2.357 13.942 -7.102 1.00 42.22 C ATOM 1141 OG SER A 70 -1.975 14.882 -8.091 1.00 4.40 O ATOM 0 H SER A 70 -2.202 12.789 -9.243 1.00 3.43 H new ATOM 0 HA SER A 70 -0.516 12.829 -7.001 1.00 32.50 H new ATOM 0 HB2 SER A 70 -3.423 13.731 -7.185 1.00 42.22 H new ATOM 0 HB3 SER A 70 -2.191 14.362 -6.110 1.00 42.22 H new ATOM 0 HG SER A 70 -2.770 15.349 -8.423 1.00 4.40 H new ATOM 1147 N ILE A 71 -3.103 10.836 -6.749 1.00 50.34 N ATOM 1148 CA ILE A 71 -3.702 9.785 -5.931 1.00 41.32 C ATOM 1149 C ILE A 71 -2.759 8.587 -5.829 1.00 45.22 C ATOM 1150 O ILE A 71 -2.660 7.942 -4.783 1.00 61.30 O ATOM 1151 CB ILE A 71 -5.065 9.328 -6.504 1.00 42.21 C ATOM 1152 CG1 ILE A 71 -6.032 10.516 -6.578 1.00 25.55 C ATOM 1153 CG2 ILE A 71 -5.661 8.206 -5.660 1.00 61.34 C ATOM 1154 CD1 ILE A 71 -7.384 10.165 -7.163 1.00 12.35 C ATOM 0 H ILE A 71 -3.523 10.941 -7.673 1.00 50.34 H new ATOM 0 HA ILE A 71 -3.871 10.199 -4.937 1.00 41.32 H new ATOM 0 HB ILE A 71 -4.903 8.943 -7.511 1.00 42.21 H new ATOM 0 HG12 ILE A 71 -6.174 10.921 -5.576 1.00 25.55 H new ATOM 0 HG13 ILE A 71 -5.579 11.305 -7.179 1.00 25.55 H new ATOM 0 HG21 ILE A 71 -6.619 7.902 -6.083 1.00 61.34 H new ATOM 0 HG22 ILE A 71 -4.980 7.355 -5.654 1.00 61.34 H new ATOM 0 HG23 ILE A 71 -5.811 8.558 -4.639 1.00 61.34 H new ATOM 0 HD11 ILE A 71 -8.014 11.055 -7.183 1.00 12.35 H new ATOM 0 HD12 ILE A 71 -7.255 9.789 -8.178 1.00 12.35 H new ATOM 0 HD13 ILE A 71 -7.858 9.399 -6.549 1.00 12.35 H new ATOM 1166 N ALA A 72 -2.059 8.305 -6.920 1.00 11.23 N ATOM 1167 CA ALA A 72 -1.072 7.235 -6.938 1.00 41.33 C ATOM 1168 C ALA A 72 0.048 7.538 -5.950 1.00 25.45 C ATOM 1169 O ALA A 72 0.406 6.699 -5.121 1.00 30.24 O ATOM 1170 CB ALA A 72 -0.512 7.056 -8.340 1.00 31.15 C ATOM 0 H ALA A 72 -2.157 8.803 -7.805 1.00 11.23 H new ATOM 0 HA ALA A 72 -1.557 6.305 -6.640 1.00 41.33 H new ATOM 0 HB1 ALA A 72 0.225 6.253 -8.338 1.00 31.15 H new ATOM 0 HB2 ALA A 72 -1.321 6.804 -9.026 1.00 31.15 H new ATOM 0 HB3 ALA A 72 -0.037 7.982 -8.663 1.00 31.15 H new ATOM 1176 N ASN A 73 0.575 8.754 -6.041 1.00 63.03 N ATOM 1177 CA ASN A 73 1.620 9.223 -5.133 1.00 44.30 C ATOM 1178 C ASN A 73 1.118 9.208 -3.697 1.00 5.23 C ATOM 1179 O ASN A 73 1.815 8.765 -2.784 1.00 72.52 O ATOM 1180 CB ASN A 73 2.051 10.643 -5.508 1.00 30.15 C ATOM 1181 CG ASN A 73 2.553 10.746 -6.931 1.00 3.11 C ATOM 1182 OD1 ASN A 73 3.145 9.812 -7.466 1.00 63.40 O ATOM 1183 ND2 ASN A 73 2.316 11.888 -7.555 1.00 31.22 N ATOM 0 H ASN A 73 0.293 9.440 -6.741 1.00 63.03 H new ATOM 0 HA ASN A 73 2.476 8.554 -5.220 1.00 44.30 H new ATOM 0 HB2 ASN A 73 1.208 11.321 -5.375 1.00 30.15 H new ATOM 0 HB3 ASN A 73 2.835 10.972 -4.826 1.00 30.15 H new ATOM 0 HD21 ASN A 73 2.629 12.018 -8.517 1.00 31.22 H new ATOM 0 HD22 ASN A 73 1.821 12.639 -7.074 1.00 31.22 H new ATOM 1190 N ASP A 74 -0.105 9.694 -3.515 1.00 42.44 N ATOM 1191 CA ASP A 74 -0.758 9.715 -2.203 1.00 32.13 C ATOM 1192 C ASP A 74 -0.810 8.318 -1.592 1.00 64.14 C ATOM 1193 O ASP A 74 -0.553 8.137 -0.400 1.00 64.41 O ATOM 1194 CB ASP A 74 -2.178 10.278 -2.333 1.00 24.41 C ATOM 1195 CG ASP A 74 -2.915 10.358 -1.009 1.00 34.23 C ATOM 1196 OD1 ASP A 74 -2.510 11.164 -0.142 1.00 11.32 O ATOM 1197 OD2 ASP A 74 -3.928 9.647 -0.846 1.00 25.01 O ATOM 0 H ASP A 74 -0.673 10.084 -4.267 1.00 42.44 H new ATOM 0 HA ASP A 74 -0.172 10.355 -1.544 1.00 32.13 H new ATOM 0 HB2 ASP A 74 -2.128 11.274 -2.774 1.00 24.41 H new ATOM 0 HB3 ASP A 74 -2.748 9.653 -3.021 1.00 24.41 H new ATOM 1202 N THR A 75 -1.132 7.333 -2.419 1.00 14.00 N ATOM 1203 CA THR A 75 -1.190 5.950 -1.976 1.00 23.43 C ATOM 1204 C THR A 75 0.209 5.417 -1.666 1.00 70.42 C ATOM 1205 O THR A 75 0.409 4.718 -0.673 1.00 32.43 O ATOM 1206 CB THR A 75 -1.873 5.064 -3.036 1.00 21.10 C ATOM 1207 OG1 THR A 75 -3.176 5.587 -3.328 1.00 21.34 O ATOM 1208 CG2 THR A 75 -2.005 3.626 -2.555 1.00 2.12 C ATOM 0 H THR A 75 -1.358 7.469 -3.404 1.00 14.00 H new ATOM 0 HA THR A 75 -1.782 5.918 -1.062 1.00 23.43 H new ATOM 0 HB THR A 75 -1.254 5.070 -3.933 1.00 21.10 H new ATOM 0 HG1 THR A 75 -3.088 6.419 -3.838 1.00 21.34 H new ATOM 0 HG21 THR A 75 -2.491 3.028 -3.326 1.00 2.12 H new ATOM 0 HG22 THR A 75 -1.015 3.219 -2.349 1.00 2.12 H new ATOM 0 HG23 THR A 75 -2.604 3.600 -1.645 1.00 2.12 H new ATOM 1216 N LEU A 76 1.178 5.769 -2.507 1.00 71.52 N ATOM 1217 CA LEU A 76 2.568 5.364 -2.300 1.00 34.52 C ATOM 1218 C LEU A 76 3.071 5.914 -0.968 1.00 44.24 C ATOM 1219 O LEU A 76 3.747 5.219 -0.206 1.00 51.34 O ATOM 1220 CB LEU A 76 3.438 5.867 -3.469 1.00 5.13 C ATOM 1221 CG LEU A 76 4.881 5.336 -3.537 1.00 10.00 C ATOM 1222 CD1 LEU A 76 5.783 6.018 -2.517 1.00 41.12 C ATOM 1223 CD2 LEU A 76 4.907 3.825 -3.345 1.00 12.51 C ATOM 0 H LEU A 76 1.027 6.336 -3.341 1.00 71.52 H new ATOM 0 HA LEU A 76 2.632 4.276 -2.269 1.00 34.52 H new ATOM 0 HB2 LEU A 76 2.936 5.609 -4.402 1.00 5.13 H new ATOM 0 HB3 LEU A 76 3.478 6.955 -3.419 1.00 5.13 H new ATOM 0 HG LEU A 76 5.268 5.571 -4.528 1.00 10.00 H new ATOM 0 HD11 LEU A 76 6.793 5.615 -2.597 1.00 41.12 H new ATOM 0 HD12 LEU A 76 5.804 7.091 -2.709 1.00 41.12 H new ATOM 0 HD13 LEU A 76 5.399 5.837 -1.513 1.00 41.12 H new ATOM 0 HD21 LEU A 76 5.936 3.469 -3.396 1.00 12.51 H new ATOM 0 HD22 LEU A 76 4.485 3.575 -2.372 1.00 12.51 H new ATOM 0 HD23 LEU A 76 4.319 3.348 -4.129 1.00 12.51 H new ATOM 1235 N ARG A 77 2.726 7.163 -0.696 1.00 43.11 N ATOM 1236 CA ARG A 77 3.054 7.810 0.554 1.00 1.12 C ATOM 1237 C ARG A 77 2.517 7.015 1.743 1.00 14.12 C ATOM 1238 O ARG A 77 3.216 6.821 2.740 1.00 1.40 O ATOM 1239 CB ARG A 77 2.467 9.212 0.517 1.00 52.41 C ATOM 1240 CG ARG A 77 2.536 9.959 1.823 1.00 10.31 C ATOM 1241 CD ARG A 77 2.201 11.418 1.604 1.00 25.13 C ATOM 1242 NE ARG A 77 0.941 11.614 0.883 1.00 42.54 N ATOM 1243 CZ ARG A 77 0.798 12.432 -0.166 1.00 44.45 C ATOM 1244 NH1 ARG A 77 1.848 13.085 -0.656 1.00 4.52 N ATOM 1245 NH2 ARG A 77 -0.390 12.585 -0.733 1.00 43.21 N ATOM 0 H ARG A 77 2.207 7.756 -1.344 1.00 43.11 H new ATOM 0 HA ARG A 77 4.136 7.861 0.678 1.00 1.12 H new ATOM 0 HB2 ARG A 77 2.990 9.790 -0.244 1.00 52.41 H new ATOM 0 HB3 ARG A 77 1.424 9.146 0.207 1.00 52.41 H new ATOM 0 HG2 ARG A 77 1.840 9.521 2.539 1.00 10.31 H new ATOM 0 HG3 ARG A 77 3.534 9.867 2.252 1.00 10.31 H new ATOM 0 HD2 ARG A 77 2.143 11.921 2.569 1.00 25.13 H new ATOM 0 HD3 ARG A 77 3.010 11.891 1.047 1.00 25.13 H new ATOM 0 HE ARG A 77 0.122 11.095 1.200 1.00 42.54 H new ATOM 0 HH11 ARG A 77 2.768 12.963 -0.232 1.00 4.52 H new ATOM 0 HH12 ARG A 77 1.734 13.707 -1.456 1.00 4.52 H new ATOM 0 HH21 ARG A 77 -1.197 12.079 -0.370 1.00 43.21 H new ATOM 0 HH22 ARG A 77 -0.497 13.209 -1.533 1.00 43.21 H new ATOM 1259 N TRP A 78 1.278 6.555 1.628 1.00 2.41 N ATOM 1260 CA TRP A 78 0.675 5.702 2.648 1.00 44.54 C ATOM 1261 C TRP A 78 1.411 4.362 2.732 1.00 50.53 C ATOM 1262 O TRP A 78 1.650 3.842 3.823 1.00 72.12 O ATOM 1263 CB TRP A 78 -0.811 5.477 2.335 1.00 33.42 C ATOM 1264 CG TRP A 78 -1.545 4.707 3.394 1.00 32.53 C ATOM 1265 CD1 TRP A 78 -1.696 3.351 3.468 1.00 50.03 C ATOM 1266 CD2 TRP A 78 -2.234 5.249 4.527 1.00 33.34 C ATOM 1267 NE1 TRP A 78 -2.436 3.018 4.574 1.00 23.21 N ATOM 1268 CE2 TRP A 78 -2.778 4.165 5.241 1.00 33.42 C ATOM 1269 CE3 TRP A 78 -2.448 6.545 5.006 1.00 5.01 C ATOM 1270 CZ2 TRP A 78 -3.516 4.336 6.408 1.00 13.11 C ATOM 1271 CZ3 TRP A 78 -3.178 6.712 6.167 1.00 12.01 C ATOM 1272 CH2 TRP A 78 -3.706 5.613 6.856 1.00 32.44 C ATOM 0 H TRP A 78 0.668 6.758 0.836 1.00 2.41 H new ATOM 0 HA TRP A 78 0.760 6.200 3.614 1.00 44.54 H new ATOM 0 HB2 TRP A 78 -1.295 6.445 2.202 1.00 33.42 H new ATOM 0 HB3 TRP A 78 -0.896 4.945 1.388 1.00 33.42 H new ATOM 0 HD1 TRP A 78 -1.291 2.644 2.759 1.00 50.03 H new ATOM 0 HE1 TRP A 78 -2.690 2.071 4.854 1.00 23.21 H new ATOM 0 HE3 TRP A 78 -2.050 7.399 4.478 1.00 5.01 H new ATOM 0 HZ2 TRP A 78 -3.924 3.490 6.941 1.00 13.11 H new ATOM 0 HZ3 TRP A 78 -3.344 7.708 6.550 1.00 12.01 H new ATOM 0 HH2 TRP A 78 -4.275 5.778 7.759 1.00 32.44 H new ATOM 1283 N LEU A 79 1.775 3.819 1.570 1.00 10.55 N ATOM 1284 CA LEU A 79 2.476 2.536 1.493 1.00 10.34 C ATOM 1285 C LEU A 79 3.797 2.574 2.245 1.00 62.00 C ATOM 1286 O LEU A 79 4.124 1.639 2.980 1.00 12.52 O ATOM 1287 CB LEU A 79 2.735 2.148 0.034 1.00 24.52 C ATOM 1288 CG LEU A 79 1.485 1.903 -0.804 1.00 13.04 C ATOM 1289 CD1 LEU A 79 1.860 1.611 -2.247 1.00 55.42 C ATOM 1290 CD2 LEU A 79 0.672 0.756 -0.228 1.00 20.54 C ATOM 0 H LEU A 79 1.595 4.251 0.664 1.00 10.55 H new ATOM 0 HA LEU A 79 1.833 1.790 1.960 1.00 10.34 H new ATOM 0 HB2 LEU A 79 3.320 2.938 -0.437 1.00 24.52 H new ATOM 0 HB3 LEU A 79 3.347 1.246 0.018 1.00 24.52 H new ATOM 0 HG LEU A 79 0.875 2.806 -0.780 1.00 13.04 H new ATOM 0 HD11 LEU A 79 0.955 1.439 -2.830 1.00 55.42 H new ATOM 0 HD12 LEU A 79 2.402 2.461 -2.661 1.00 55.42 H new ATOM 0 HD13 LEU A 79 2.492 0.724 -2.286 1.00 55.42 H new ATOM 0 HD21 LEU A 79 -0.216 0.596 -0.840 1.00 20.54 H new ATOM 0 HD22 LEU A 79 1.276 -0.151 -0.222 1.00 20.54 H new ATOM 0 HD23 LEU A 79 0.372 0.999 0.791 1.00 20.54 H new ATOM 1302 N LYS A 80 4.552 3.656 2.065 1.00 73.10 N ATOM 1303 CA LYS A 80 5.836 3.808 2.716 1.00 12.12 C ATOM 1304 C LYS A 80 5.687 3.708 4.228 1.00 32.33 C ATOM 1305 O LYS A 80 6.465 3.026 4.887 1.00 65.10 O ATOM 1306 CB LYS A 80 6.433 5.150 2.337 1.00 25.24 C ATOM 1307 CG LYS A 80 7.601 5.561 3.206 1.00 25.04 C ATOM 1308 CD LYS A 80 7.607 7.057 3.390 1.00 30.41 C ATOM 1309 CE LYS A 80 7.968 7.780 2.109 1.00 31.41 C ATOM 1310 NZ LYS A 80 9.433 7.740 1.845 1.00 53.13 N ATOM 0 H LYS A 80 4.288 4.440 1.469 1.00 73.10 H new ATOM 0 HA LYS A 80 6.499 3.008 2.387 1.00 12.12 H new ATOM 0 HB2 LYS A 80 6.760 5.112 1.298 1.00 25.24 H new ATOM 0 HB3 LYS A 80 5.658 5.914 2.400 1.00 25.24 H new ATOM 0 HG2 LYS A 80 7.534 5.068 4.176 1.00 25.04 H new ATOM 0 HG3 LYS A 80 8.536 5.239 2.748 1.00 25.04 H new ATOM 0 HD2 LYS A 80 6.624 7.386 3.728 1.00 30.41 H new ATOM 0 HD3 LYS A 80 8.319 7.324 4.171 1.00 30.41 H new ATOM 0 HE2 LYS A 80 7.436 7.326 1.273 1.00 31.41 H new ATOM 0 HE3 LYS A 80 7.638 8.817 2.172 1.00 31.41 H new ATOM 0 HZ1 LYS A 80 9.640 8.245 0.960 1.00 53.13 H new ATOM 0 HZ2 LYS A 80 9.940 8.196 2.631 1.00 53.13 H new ATOM 0 HZ3 LYS A 80 9.744 6.751 1.760 1.00 53.13 H new ATOM 1324 N ARG A 81 4.676 4.392 4.762 1.00 23.32 N ATOM 1325 CA ARG A 81 4.374 4.340 6.193 1.00 11.24 C ATOM 1326 C ARG A 81 4.240 2.892 6.670 1.00 4.13 C ATOM 1327 O ARG A 81 4.835 2.497 7.675 1.00 61.21 O ATOM 1328 CB ARG A 81 3.068 5.084 6.490 1.00 51.21 C ATOM 1329 CG ARG A 81 3.133 6.590 6.287 1.00 23.33 C ATOM 1330 CD ARG A 81 1.758 7.216 6.463 1.00 73.51 C ATOM 1331 NE ARG A 81 1.811 8.678 6.510 1.00 13.31 N ATOM 1332 CZ ARG A 81 0.731 9.462 6.481 1.00 2.32 C ATOM 1333 NH1 ARG A 81 -0.479 8.930 6.364 1.00 1.05 N ATOM 1334 NH2 ARG A 81 0.861 10.778 6.574 1.00 4.34 N ATOM 0 H ARG A 81 4.050 4.991 4.224 1.00 23.32 H new ATOM 0 HA ARG A 81 5.198 4.817 6.723 1.00 11.24 H new ATOM 0 HB2 ARG A 81 2.282 4.679 5.852 1.00 51.21 H new ATOM 0 HB3 ARG A 81 2.778 4.882 7.521 1.00 51.21 H new ATOM 0 HG2 ARG A 81 3.832 7.028 7.000 1.00 23.33 H new ATOM 0 HG3 ARG A 81 3.514 6.811 5.290 1.00 23.33 H new ATOM 0 HD2 ARG A 81 1.113 6.905 5.641 1.00 73.51 H new ATOM 0 HD3 ARG A 81 1.307 6.842 7.382 1.00 73.51 H new ATOM 0 HE ARG A 81 2.727 9.124 6.568 1.00 13.31 H new ATOM 0 HH11 ARG A 81 -0.587 7.918 6.296 1.00 1.05 H new ATOM 0 HH12 ARG A 81 -1.301 9.533 6.342 1.00 1.05 H new ATOM 0 HH21 ARG A 81 1.788 11.194 6.668 1.00 4.34 H new ATOM 0 HH22 ARG A 81 0.034 11.375 6.552 1.00 4.34 H new ATOM 1348 N MET A 82 3.474 2.109 5.920 1.00 24.21 N ATOM 1349 CA MET A 82 3.198 0.720 6.274 1.00 72.24 C ATOM 1350 C MET A 82 4.469 -0.127 6.223 1.00 23.33 C ATOM 1351 O MET A 82 4.774 -0.856 7.169 1.00 43.01 O ATOM 1352 CB MET A 82 2.138 0.138 5.334 1.00 4.34 C ATOM 1353 CG MET A 82 1.785 -1.311 5.627 1.00 63.15 C ATOM 1354 SD MET A 82 0.549 -1.964 4.488 1.00 65.22 S ATOM 1355 CE MET A 82 1.411 -1.815 2.924 1.00 11.51 C ATOM 0 H MET A 82 3.029 2.415 5.055 1.00 24.21 H new ATOM 0 HA MET A 82 2.820 0.700 7.296 1.00 72.24 H new ATOM 0 HB2 MET A 82 1.234 0.743 5.402 1.00 4.34 H new ATOM 0 HB3 MET A 82 2.496 0.214 4.307 1.00 4.34 H new ATOM 0 HG2 MET A 82 2.687 -1.920 5.568 1.00 63.15 H new ATOM 0 HG3 MET A 82 1.412 -1.392 6.648 1.00 63.15 H new ATOM 0 HE1 MET A 82 0.953 -2.480 2.191 1.00 11.51 H new ATOM 0 HE2 MET A 82 1.347 -0.786 2.570 1.00 11.51 H new ATOM 0 HE3 MET A 82 2.458 -2.089 3.058 1.00 11.51 H new ATOM 1365 N PHE A 83 5.212 -0.022 5.126 1.00 74.01 N ATOM 1366 CA PHE A 83 6.437 -0.803 4.959 1.00 1.50 C ATOM 1367 C PHE A 83 7.495 -0.377 5.968 1.00 50.35 C ATOM 1368 O PHE A 83 8.224 -1.210 6.503 1.00 23.04 O ATOM 1369 CB PHE A 83 6.985 -0.673 3.536 1.00 51.43 C ATOM 1370 CG PHE A 83 6.084 -1.264 2.490 1.00 75.35 C ATOM 1371 CD1 PHE A 83 5.657 -2.580 2.587 1.00 44.41 C ATOM 1372 CD2 PHE A 83 5.667 -0.507 1.411 1.00 74.11 C ATOM 1373 CE1 PHE A 83 4.830 -3.125 1.626 1.00 23.23 C ATOM 1374 CE2 PHE A 83 4.840 -1.047 0.446 1.00 72.13 C ATOM 1375 CZ PHE A 83 4.420 -2.357 0.553 1.00 63.31 C ATOM 0 H PHE A 83 4.991 0.592 4.342 1.00 74.01 H new ATOM 0 HA PHE A 83 6.187 -1.849 5.137 1.00 1.50 H new ATOM 0 HB2 PHE A 83 7.145 0.382 3.312 1.00 51.43 H new ATOM 0 HB3 PHE A 83 7.958 -1.161 3.484 1.00 51.43 H new ATOM 0 HD1 PHE A 83 5.975 -3.185 3.423 1.00 44.41 H new ATOM 0 HD2 PHE A 83 5.992 0.519 1.322 1.00 74.11 H new ATOM 0 HE1 PHE A 83 4.504 -4.151 1.713 1.00 23.23 H new ATOM 0 HE2 PHE A 83 4.522 -0.444 -0.392 1.00 72.13 H new ATOM 0 HZ PHE A 83 3.772 -2.781 -0.200 1.00 63.31 H new ATOM 1385 N ASN A 84 7.562 0.923 6.232 1.00 63.25 N ATOM 1386 CA ASN A 84 8.479 1.465 7.230 1.00 54.14 C ATOM 1387 C ASN A 84 8.230 0.829 8.591 1.00 63.23 C ATOM 1388 O ASN A 84 9.164 0.442 9.292 1.00 54.04 O ATOM 1389 CB ASN A 84 8.321 2.985 7.326 1.00 54.34 C ATOM 1390 CG ASN A 84 9.002 3.566 8.550 1.00 54.41 C ATOM 1391 OD1 ASN A 84 8.387 3.715 9.604 1.00 74.50 O ATOM 1392 ND2 ASN A 84 10.273 3.898 8.421 1.00 74.33 N ATOM 0 H ASN A 84 6.988 1.626 5.766 1.00 63.25 H new ATOM 0 HA ASN A 84 9.498 1.233 6.920 1.00 54.14 H new ATOM 0 HB2 ASN A 84 8.736 3.447 6.430 1.00 54.34 H new ATOM 0 HB3 ASN A 84 7.260 3.235 7.352 1.00 54.34 H new ATOM 0 HD21 ASN A 84 10.780 4.294 9.213 1.00 74.33 H new ATOM 0 HD22 ASN A 84 10.749 3.759 7.529 1.00 74.33 H new ATOM 1399 N TYR A 85 6.961 0.720 8.956 1.00 71.52 N ATOM 1400 CA TYR A 85 6.573 0.092 10.211 1.00 21.52 C ATOM 1401 C TYR A 85 7.034 -1.366 10.249 1.00 22.53 C ATOM 1402 O TYR A 85 7.493 -1.856 11.286 1.00 54.22 O ATOM 1403 CB TYR A 85 5.055 0.185 10.391 1.00 54.24 C ATOM 1404 CG TYR A 85 4.564 -0.355 11.713 1.00 1.22 C ATOM 1405 CD1 TYR A 85 4.724 0.373 12.884 1.00 61.15 C ATOM 1406 CD2 TYR A 85 3.948 -1.596 11.789 1.00 4.41 C ATOM 1407 CE1 TYR A 85 4.282 -0.119 14.095 1.00 12.55 C ATOM 1408 CE2 TYR A 85 3.505 -2.096 12.996 1.00 61.11 C ATOM 1409 CZ TYR A 85 3.675 -1.354 14.146 1.00 70.21 C ATOM 1410 OH TYR A 85 3.245 -1.858 15.353 1.00 23.12 O ATOM 0 H TYR A 85 6.178 1.060 8.397 1.00 71.52 H new ATOM 0 HA TYR A 85 7.057 0.619 11.033 1.00 21.52 H new ATOM 0 HB2 TYR A 85 4.751 1.228 10.300 1.00 54.24 H new ATOM 0 HB3 TYR A 85 4.568 -0.361 9.583 1.00 54.24 H new ATOM 0 HD1 TYR A 85 5.202 1.341 12.847 1.00 61.15 H new ATOM 0 HD2 TYR A 85 3.813 -2.179 10.890 1.00 4.41 H new ATOM 0 HE1 TYR A 85 4.411 0.461 14.997 1.00 12.55 H new ATOM 0 HE2 TYR A 85 3.027 -3.064 13.040 1.00 61.11 H new ATOM 0 HH TYR A 85 2.278 -2.012 15.317 1.00 23.12 H new ATOM 1420 N ALA A 86 6.930 -2.043 9.111 1.00 31.41 N ATOM 1421 CA ALA A 86 7.380 -3.424 8.991 1.00 43.43 C ATOM 1422 C ALA A 86 8.899 -3.513 9.126 1.00 32.13 C ATOM 1423 O ALA A 86 9.438 -4.557 9.503 1.00 50.03 O ATOM 1424 CB ALA A 86 6.927 -4.017 7.666 1.00 43.52 C ATOM 0 H ALA A 86 6.536 -1.655 8.254 1.00 31.41 H new ATOM 0 HA ALA A 86 6.932 -4.001 9.800 1.00 43.43 H new ATOM 0 HB1 ALA A 86 7.271 -5.049 7.592 1.00 43.52 H new ATOM 0 HB2 ALA A 86 5.839 -3.993 7.610 1.00 43.52 H new ATOM 0 HB3 ALA A 86 7.346 -3.435 6.845 1.00 43.52 H new ATOM 1430 N ILE A 87 9.582 -2.416 8.812 1.00 53.11 N ATOM 1431 CA ILE A 87 11.028 -2.332 8.980 1.00 10.43 C ATOM 1432 C ILE A 87 11.394 -2.335 10.459 1.00 64.20 C ATOM 1433 O ILE A 87 12.250 -3.107 10.888 1.00 52.30 O ATOM 1434 CB ILE A 87 11.619 -1.069 8.310 1.00 65.41 C ATOM 1435 CG1 ILE A 87 11.384 -1.115 6.800 1.00 23.21 C ATOM 1436 CG2 ILE A 87 13.107 -0.937 8.619 1.00 61.44 C ATOM 1437 CD1 ILE A 87 11.882 0.112 6.070 1.00 64.02 C ATOM 0 H ILE A 87 9.154 -1.569 8.438 1.00 53.11 H new ATOM 0 HA ILE A 87 11.455 -3.208 8.491 1.00 10.43 H new ATOM 0 HB ILE A 87 11.112 -0.193 8.716 1.00 65.41 H new ATOM 0 HG12 ILE A 87 11.878 -1.996 6.391 1.00 23.21 H new ATOM 0 HG13 ILE A 87 10.317 -1.232 6.611 1.00 23.21 H new ATOM 0 HG21 ILE A 87 13.501 -0.042 8.137 1.00 61.44 H new ATOM 0 HG22 ILE A 87 13.249 -0.862 9.697 1.00 61.44 H new ATOM 0 HG23 ILE A 87 13.636 -1.813 8.244 1.00 61.44 H new ATOM 0 HD11 ILE A 87 11.681 0.008 5.004 1.00 64.02 H new ATOM 0 HD12 ILE A 87 11.369 0.995 6.451 1.00 64.02 H new ATOM 0 HD13 ILE A 87 12.955 0.219 6.228 1.00 64.02 H new ATOM 1449 N LYS A 88 10.724 -1.486 11.237 1.00 74.15 N ATOM 1450 CA LYS A 88 10.978 -1.403 12.674 1.00 30.20 C ATOM 1451 C LYS A 88 10.717 -2.735 13.354 1.00 54.30 C ATOM 1452 O LYS A 88 11.528 -3.206 14.151 1.00 14.53 O ATOM 1453 CB LYS A 88 10.122 -0.320 13.331 1.00 31.13 C ATOM 1454 CG LYS A 88 10.541 1.087 12.964 1.00 71.33 C ATOM 1455 CD LYS A 88 9.531 1.754 12.053 1.00 72.12 C ATOM 1456 CE LYS A 88 8.235 2.068 12.784 1.00 41.55 C ATOM 1457 NZ LYS A 88 7.399 3.037 12.028 1.00 3.11 N ATOM 0 H LYS A 88 10.004 -0.848 10.898 1.00 74.15 H new ATOM 0 HA LYS A 88 12.029 -1.141 12.796 1.00 30.20 H new ATOM 0 HB2 LYS A 88 9.081 -0.467 13.044 1.00 31.13 H new ATOM 0 HB3 LYS A 88 10.173 -0.435 14.414 1.00 31.13 H new ATOM 0 HG2 LYS A 88 10.659 1.679 13.871 1.00 71.33 H new ATOM 0 HG3 LYS A 88 11.513 1.060 12.472 1.00 71.33 H new ATOM 0 HD2 LYS A 88 9.955 2.675 11.652 1.00 72.12 H new ATOM 0 HD3 LYS A 88 9.321 1.103 11.204 1.00 72.12 H new ATOM 0 HE2 LYS A 88 7.673 1.147 12.941 1.00 41.55 H new ATOM 0 HE3 LYS A 88 8.462 2.474 13.770 1.00 41.55 H new ATOM 0 HZ1 LYS A 88 7.481 3.979 12.462 1.00 3.11 H new ATOM 0 HZ2 LYS A 88 7.725 3.081 11.041 1.00 3.11 H new ATOM 0 HZ3 LYS A 88 6.405 2.730 12.051 1.00 3.11 H new ATOM 1471 N ARG A 89 9.585 -3.341 13.027 1.00 43.10 N ATOM 1472 CA ARG A 89 9.237 -4.653 13.581 1.00 61.10 C ATOM 1473 C ARG A 89 10.123 -5.769 13.021 1.00 73.44 C ATOM 1474 O ARG A 89 9.991 -6.927 13.419 1.00 25.33 O ATOM 1475 CB ARG A 89 7.770 -4.999 13.319 1.00 63.31 C ATOM 1476 CG ARG A 89 6.791 -4.308 14.251 1.00 65.35 C ATOM 1477 CD ARG A 89 5.427 -4.982 14.195 1.00 5.43 C ATOM 1478 NE ARG A 89 4.466 -4.375 15.113 1.00 61.22 N ATOM 1479 CZ ARG A 89 3.784 -5.052 16.038 1.00 53.34 C ATOM 1480 NH1 ARG A 89 4.022 -6.342 16.239 1.00 71.05 N ATOM 1481 NH2 ARG A 89 2.875 -4.425 16.773 1.00 32.12 N ATOM 0 H ARG A 89 8.893 -2.954 12.386 1.00 43.10 H new ATOM 0 HA ARG A 89 9.405 -4.582 14.656 1.00 61.10 H new ATOM 0 HB2 ARG A 89 7.524 -4.734 12.291 1.00 63.31 H new ATOM 0 HB3 ARG A 89 7.641 -6.078 13.410 1.00 63.31 H new ATOM 0 HG2 ARG A 89 7.173 -4.334 15.272 1.00 65.35 H new ATOM 0 HG3 ARG A 89 6.695 -3.259 13.973 1.00 65.35 H new ATOM 0 HD2 ARG A 89 5.039 -4.926 13.178 1.00 5.43 H new ATOM 0 HD3 ARG A 89 5.537 -6.039 14.436 1.00 5.43 H new ATOM 0 HE ARG A 89 4.307 -3.370 15.042 1.00 61.22 H new ATOM 0 HH11 ARG A 89 4.731 -6.822 15.684 1.00 71.05 H new ATOM 0 HH12 ARG A 89 3.496 -6.853 16.948 1.00 71.05 H new ATOM 0 HH21 ARG A 89 2.701 -3.430 16.629 1.00 32.12 H new ATOM 0 HH22 ARG A 89 2.350 -4.938 17.482 1.00 32.12 H new ATOM 1495 N HIS A 90 11.014 -5.417 12.089 1.00 45.40 N ATOM 1496 CA HIS A 90 11.952 -6.373 11.488 1.00 20.33 C ATOM 1497 C HIS A 90 11.223 -7.482 10.738 1.00 33.33 C ATOM 1498 O HIS A 90 11.756 -8.577 10.566 1.00 20.44 O ATOM 1499 CB HIS A 90 12.876 -6.987 12.548 1.00 23.34 C ATOM 1500 CG HIS A 90 13.929 -6.052 13.059 1.00 21.20 C ATOM 1501 ND1 HIS A 90 14.798 -6.387 14.074 1.00 2.11 N ATOM 1502 CD2 HIS A 90 14.261 -4.793 12.685 1.00 64.35 C ATOM 1503 CE1 HIS A 90 15.617 -5.378 14.301 1.00 61.54 C ATOM 1504 NE2 HIS A 90 15.311 -4.400 13.471 1.00 33.44 N ATOM 0 H HIS A 90 11.106 -4.466 11.731 1.00 45.40 H new ATOM 0 HA HIS A 90 12.557 -5.814 10.774 1.00 20.33 H new ATOM 0 HB2 HIS A 90 12.271 -7.329 13.388 1.00 23.34 H new ATOM 0 HB3 HIS A 90 13.361 -7.867 12.126 1.00 23.34 H new ATOM 0 HD2 HIS A 90 13.786 -4.208 11.911 1.00 64.35 H new ATOM 0 HE1 HIS A 90 16.404 -5.357 15.040 1.00 61.54 H new ATOM 0 HE2 HIS A 90 15.781 -3.496 13.422 1.00 33.44 H new ATOM 1513 N ILE A 91 10.015 -7.187 10.274 1.00 32.42 N ATOM 1514 CA ILE A 91 9.247 -8.145 9.489 1.00 34.04 C ATOM 1515 C ILE A 91 9.951 -8.391 8.161 1.00 21.04 C ATOM 1516 O ILE A 91 10.117 -9.531 7.724 1.00 40.31 O ATOM 1517 CB ILE A 91 7.809 -7.637 9.219 1.00 72.05 C ATOM 1518 CG1 ILE A 91 7.094 -7.301 10.535 1.00 74.54 C ATOM 1519 CG2 ILE A 91 7.013 -8.669 8.429 1.00 12.22 C ATOM 1520 CD1 ILE A 91 6.903 -8.489 11.456 1.00 55.44 C ATOM 0 H ILE A 91 9.547 -6.294 10.427 1.00 32.42 H new ATOM 0 HA ILE A 91 9.179 -9.071 10.060 1.00 34.04 H new ATOM 0 HB ILE A 91 7.878 -6.726 8.624 1.00 72.05 H new ATOM 0 HG12 ILE A 91 7.664 -6.535 11.061 1.00 74.54 H new ATOM 0 HG13 ILE A 91 6.119 -6.871 10.307 1.00 74.54 H new ATOM 0 HG21 ILE A 91 6.006 -8.293 8.250 1.00 12.22 H new ATOM 0 HG22 ILE A 91 7.506 -8.856 7.475 1.00 12.22 H new ATOM 0 HG23 ILE A 91 6.958 -9.598 8.997 1.00 12.22 H new ATOM 0 HD11 ILE A 91 6.391 -8.168 12.363 1.00 55.44 H new ATOM 0 HD12 ILE A 91 6.305 -9.248 10.951 1.00 55.44 H new ATOM 0 HD13 ILE A 91 7.875 -8.907 11.717 1.00 55.44 H new ATOM 1532 N ILE A 92 10.372 -7.300 7.536 1.00 13.20 N ATOM 1533 CA ILE A 92 11.126 -7.362 6.292 1.00 53.14 C ATOM 1534 C ILE A 92 12.366 -6.477 6.372 1.00 72.34 C ATOM 1535 O ILE A 92 13.431 -6.845 5.885 1.00 41.42 O ATOM 1536 CB ILE A 92 10.266 -6.942 5.078 1.00 74.21 C ATOM 1537 CG1 ILE A 92 9.518 -5.630 5.361 1.00 21.43 C ATOM 1538 CG2 ILE A 92 9.291 -8.053 4.713 1.00 4.03 C ATOM 1539 CD1 ILE A 92 8.649 -5.162 4.213 1.00 63.10 C ATOM 0 H ILE A 92 10.202 -6.353 7.874 1.00 13.20 H new ATOM 0 HA ILE A 92 11.429 -8.399 6.151 1.00 53.14 H new ATOM 0 HB ILE A 92 10.929 -6.771 4.230 1.00 74.21 H new ATOM 0 HG12 ILE A 92 8.895 -5.761 6.246 1.00 21.43 H new ATOM 0 HG13 ILE A 92 10.244 -4.852 5.595 1.00 21.43 H new ATOM 0 HG21 ILE A 92 8.692 -7.744 3.857 1.00 4.03 H new ATOM 0 HG22 ILE A 92 9.847 -8.956 4.460 1.00 4.03 H new ATOM 0 HG23 ILE A 92 8.636 -8.255 5.560 1.00 4.03 H new ATOM 0 HD11 ILE A 92 8.154 -4.231 4.488 1.00 63.10 H new ATOM 0 HD12 ILE A 92 9.268 -4.997 3.331 1.00 63.10 H new ATOM 0 HD13 ILE A 92 7.898 -5.921 3.992 1.00 63.10 H new ATOM 1551 N GLU A 93 12.203 -5.302 6.986 1.00 53.24 N ATOM 1552 CA GLU A 93 13.291 -4.341 7.181 1.00 22.23 C ATOM 1553 C GLU A 93 13.733 -3.737 5.841 1.00 60.34 C ATOM 1554 O GLU A 93 14.731 -3.022 5.760 1.00 4.14 O ATOM 1555 CB GLU A 93 14.474 -4.991 7.912 1.00 55.31 C ATOM 1556 CG GLU A 93 15.303 -4.010 8.725 1.00 15.42 C ATOM 1557 CD GLU A 93 16.410 -4.687 9.501 1.00 33.45 C ATOM 1558 OE1 GLU A 93 16.123 -5.636 10.256 1.00 13.43 O ATOM 1559 OE2 GLU A 93 17.579 -4.263 9.369 1.00 42.33 O ATOM 0 H GLU A 93 11.308 -4.990 7.363 1.00 53.24 H new ATOM 0 HA GLU A 93 12.918 -3.531 7.807 1.00 22.23 H new ATOM 0 HB2 GLU A 93 14.097 -5.770 8.574 1.00 55.31 H new ATOM 0 HB3 GLU A 93 15.118 -5.479 7.180 1.00 55.31 H new ATOM 0 HG2 GLU A 93 15.736 -3.265 8.057 1.00 15.42 H new ATOM 0 HG3 GLU A 93 14.652 -3.477 9.418 1.00 15.42 H new ATOM 1566 N TYR A 94 12.964 -4.019 4.797 1.00 54.23 N ATOM 1567 CA TYR A 94 13.187 -3.427 3.487 1.00 55.23 C ATOM 1568 C TYR A 94 11.979 -2.586 3.100 1.00 55.25 C ATOM 1569 O TYR A 94 10.845 -2.957 3.395 1.00 40.33 O ATOM 1570 CB TYR A 94 13.421 -4.506 2.425 1.00 62.12 C ATOM 1571 CG TYR A 94 14.709 -5.282 2.597 1.00 75.12 C ATOM 1572 CD1 TYR A 94 15.935 -4.702 2.296 1.00 40.32 C ATOM 1573 CD2 TYR A 94 14.699 -6.593 3.051 1.00 22.35 C ATOM 1574 CE1 TYR A 94 17.113 -5.408 2.443 1.00 62.25 C ATOM 1575 CE2 TYR A 94 15.873 -7.308 3.198 1.00 23.25 C ATOM 1576 CZ TYR A 94 17.076 -6.712 2.893 1.00 40.53 C ATOM 1577 OH TYR A 94 18.248 -7.424 3.029 1.00 24.34 O ATOM 0 H TYR A 94 12.173 -4.661 4.835 1.00 54.23 H new ATOM 0 HA TYR A 94 14.077 -2.801 3.540 1.00 55.23 H new ATOM 0 HB2 TYR A 94 12.585 -5.205 2.444 1.00 62.12 H new ATOM 0 HB3 TYR A 94 13.422 -4.037 1.441 1.00 62.12 H new ATOM 0 HD1 TYR A 94 15.967 -3.682 1.941 1.00 40.32 H new ATOM 0 HD2 TYR A 94 13.758 -7.063 3.294 1.00 22.35 H new ATOM 0 HE1 TYR A 94 18.058 -4.942 2.207 1.00 62.25 H new ATOM 0 HE2 TYR A 94 15.847 -8.329 3.550 1.00 23.25 H new ATOM 0 HH TYR A 94 18.047 -8.325 3.357 1.00 24.34 H new ATOM 1587 N ASN A 95 12.221 -1.441 2.480 1.00 62.45 N ATOM 1588 CA ASN A 95 11.158 -0.564 2.042 1.00 0.33 C ATOM 1589 C ASN A 95 10.993 -0.610 0.521 1.00 23.01 C ATOM 1590 O ASN A 95 11.647 0.149 -0.197 1.00 61.00 O ATOM 1591 CB ASN A 95 11.465 0.856 2.482 1.00 13.14 C ATOM 1592 CG ASN A 95 10.258 1.749 2.417 1.00 41.34 C ATOM 1593 OD1 ASN A 95 9.348 1.551 1.611 1.00 32.53 O ATOM 1594 ND2 ASN A 95 10.245 2.746 3.264 1.00 63.33 N ATOM 0 H ASN A 95 13.158 -1.099 2.269 1.00 62.45 H new ATOM 0 HA ASN A 95 10.225 -0.900 2.493 1.00 0.33 H new ATOM 0 HB2 ASN A 95 11.849 0.842 3.502 1.00 13.14 H new ATOM 0 HB3 ASN A 95 12.252 1.267 1.850 1.00 13.14 H new ATOM 0 HD21 ASN A 95 9.460 3.397 3.274 1.00 63.33 H new ATOM 0 HD22 ASN A 95 11.020 2.873 3.915 1.00 63.33 H new ATOM 1601 N PRO A 96 10.155 -1.521 -0.001 1.00 72.23 N ATOM 1602 CA PRO A 96 9.916 -1.639 -1.447 1.00 12.40 C ATOM 1603 C PRO A 96 9.290 -0.376 -2.041 1.00 2.14 C ATOM 1604 O PRO A 96 9.337 -0.160 -3.251 1.00 41.51 O ATOM 1605 CB PRO A 96 8.946 -2.822 -1.565 1.00 14.23 C ATOM 1606 CG PRO A 96 8.326 -2.950 -0.216 1.00 52.15 C ATOM 1607 CD PRO A 96 9.369 -2.500 0.765 1.00 24.34 C ATOM 0 HA PRO A 96 10.847 -1.782 -1.996 1.00 12.40 H new ATOM 0 HB2 PRO A 96 8.192 -2.639 -2.330 1.00 14.23 H new ATOM 0 HB3 PRO A 96 9.470 -3.735 -1.847 1.00 14.23 H new ATOM 0 HG2 PRO A 96 7.428 -2.336 -0.140 1.00 52.15 H new ATOM 0 HG3 PRO A 96 8.026 -3.980 -0.021 1.00 52.15 H new ATOM 0 HD2 PRO A 96 8.920 -2.051 1.651 1.00 24.34 H new ATOM 0 HD3 PRO A 96 9.985 -3.332 1.107 1.00 24.34 H new ATOM 1615 N ALA A 97 8.725 0.465 -1.183 1.00 72.41 N ATOM 1616 CA ALA A 97 8.071 1.688 -1.629 1.00 4.21 C ATOM 1617 C ALA A 97 9.057 2.848 -1.695 1.00 55.51 C ATOM 1618 O ALA A 97 8.704 3.944 -2.122 1.00 55.35 O ATOM 1619 CB ALA A 97 6.913 2.029 -0.707 1.00 33.31 C ATOM 0 H ALA A 97 8.707 0.322 -0.173 1.00 72.41 H new ATOM 0 HA ALA A 97 7.685 1.519 -2.634 1.00 4.21 H new ATOM 0 HB1 ALA A 97 6.432 2.945 -1.050 1.00 33.31 H new ATOM 0 HB2 ALA A 97 6.189 1.214 -0.715 1.00 33.31 H new ATOM 0 HB3 ALA A 97 7.286 2.173 0.307 1.00 33.31 H new ATOM 1625 N ALA A 98 10.297 2.601 -1.288 1.00 3.11 N ATOM 1626 CA ALA A 98 11.323 3.642 -1.277 1.00 32.14 C ATOM 1627 C ALA A 98 11.861 3.907 -2.683 1.00 0.43 C ATOM 1628 O ALA A 98 12.650 4.829 -2.899 1.00 63.11 O ATOM 1629 CB ALA A 98 12.461 3.262 -0.340 1.00 64.03 C ATOM 0 H ALA A 98 10.618 1.690 -0.961 1.00 3.11 H new ATOM 0 HA ALA A 98 10.860 4.560 -0.914 1.00 32.14 H new ATOM 0 HB1 ALA A 98 13.215 4.049 -0.345 1.00 64.03 H new ATOM 0 HB2 ALA A 98 12.074 3.137 0.671 1.00 64.03 H new ATOM 0 HB3 ALA A 98 12.910 2.327 -0.674 1.00 64.03 H new ATOM 1635 N ALA A 99 11.425 3.093 -3.635 1.00 15.22 N ATOM 1636 CA ALA A 99 11.843 3.237 -5.024 1.00 54.24 C ATOM 1637 C ALA A 99 10.967 4.252 -5.753 1.00 63.11 C ATOM 1638 O ALA A 99 11.164 4.524 -6.940 1.00 51.42 O ATOM 1639 CB ALA A 99 11.794 1.887 -5.727 1.00 33.21 C ATOM 0 H ALA A 99 10.778 2.322 -3.470 1.00 15.22 H new ATOM 0 HA ALA A 99 12.869 3.605 -5.040 1.00 54.24 H new ATOM 0 HB1 ALA A 99 12.108 2.005 -6.764 1.00 33.21 H new ATOM 0 HB2 ALA A 99 12.463 1.190 -5.223 1.00 33.21 H new ATOM 0 HB3 ALA A 99 10.776 1.499 -5.698 1.00 33.21 H new ATOM 1645 N PHE A 100 10.003 4.811 -5.037 1.00 24.42 N ATOM 1646 CA PHE A 100 9.098 5.791 -5.609 1.00 63.14 C ATOM 1647 C PHE A 100 8.899 6.937 -4.621 1.00 14.23 C ATOM 1648 O PHE A 100 8.971 6.735 -3.407 1.00 53.10 O ATOM 1649 CB PHE A 100 7.764 5.122 -5.952 1.00 60.13 C ATOM 1650 CG PHE A 100 6.920 5.897 -6.925 1.00 11.44 C ATOM 1651 CD1 PHE A 100 7.215 5.884 -8.279 1.00 64.10 C ATOM 1652 CD2 PHE A 100 5.830 6.632 -6.489 1.00 20.33 C ATOM 1653 CE1 PHE A 100 6.441 6.592 -9.178 1.00 61.12 C ATOM 1654 CE2 PHE A 100 5.052 7.342 -7.382 1.00 74.44 C ATOM 1655 CZ PHE A 100 5.357 7.323 -8.729 1.00 74.32 C ATOM 0 H PHE A 100 9.829 4.600 -4.054 1.00 24.42 H new ATOM 0 HA PHE A 100 9.523 6.197 -6.527 1.00 63.14 H new ATOM 0 HB2 PHE A 100 7.962 4.133 -6.366 1.00 60.13 H new ATOM 0 HB3 PHE A 100 7.197 4.975 -5.033 1.00 60.13 H new ATOM 0 HD1 PHE A 100 8.060 5.314 -8.636 1.00 64.10 H new ATOM 0 HD2 PHE A 100 5.585 6.650 -5.437 1.00 20.33 H new ATOM 0 HE1 PHE A 100 6.683 6.574 -10.230 1.00 61.12 H new ATOM 0 HE2 PHE A 100 4.206 7.912 -7.027 1.00 74.44 H new ATOM 0 HZ PHE A 100 4.750 7.878 -9.429 1.00 74.32 H new ATOM 1665 N ASP A 101 8.684 8.138 -5.132 1.00 1.45 N ATOM 1666 CA ASP A 101 8.503 9.307 -4.280 1.00 51.52 C ATOM 1667 C ASP A 101 7.025 9.520 -3.961 1.00 4.11 C ATOM 1668 O ASP A 101 6.170 9.361 -4.828 1.00 64.33 O ATOM 1669 CB ASP A 101 9.084 10.552 -4.956 1.00 70.42 C ATOM 1670 CG ASP A 101 9.025 11.774 -4.063 1.00 24.00 C ATOM 1671 OD1 ASP A 101 9.873 11.889 -3.155 1.00 74.30 O ATOM 1672 OD2 ASP A 101 8.131 12.626 -4.261 1.00 10.20 O ATOM 0 H ASP A 101 8.630 8.331 -6.132 1.00 1.45 H new ATOM 0 HA ASP A 101 9.035 9.134 -3.344 1.00 51.52 H new ATOM 0 HB2 ASP A 101 10.120 10.360 -5.237 1.00 70.42 H new ATOM 0 HB3 ASP A 101 8.536 10.751 -5.877 1.00 70.42 H new ATOM 1677 N PRO A 102 6.713 9.868 -2.697 1.00 25.34 N ATOM 1678 CA PRO A 102 5.332 10.092 -2.232 1.00 31.21 C ATOM 1679 C PRO A 102 4.596 11.198 -2.994 1.00 71.43 C ATOM 1680 O PRO A 102 3.386 11.354 -2.838 1.00 10.32 O ATOM 1681 CB PRO A 102 5.502 10.497 -0.761 1.00 65.43 C ATOM 1682 CG PRO A 102 6.929 10.896 -0.629 1.00 61.31 C ATOM 1683 CD PRO A 102 7.679 10.041 -1.603 1.00 14.24 C ATOM 0 HA PRO A 102 4.726 9.200 -2.387 1.00 31.21 H new ATOM 0 HB2 PRO A 102 4.837 11.320 -0.500 1.00 65.43 H new ATOM 0 HB3 PRO A 102 5.261 9.669 -0.094 1.00 65.43 H new ATOM 0 HG2 PRO A 102 7.062 11.954 -0.853 1.00 61.31 H new ATOM 0 HG3 PRO A 102 7.288 10.738 0.388 1.00 61.31 H new ATOM 0 HD2 PRO A 102 8.594 10.525 -1.944 1.00 14.24 H new ATOM 0 HD3 PRO A 102 7.968 9.086 -1.164 1.00 14.24 H new ATOM 1691 N GLY A 103 5.341 11.983 -3.771 1.00 71.34 N ATOM 1692 CA GLY A 103 4.746 12.963 -4.666 1.00 72.43 C ATOM 1693 C GLY A 103 3.837 13.958 -3.973 1.00 31.25 C ATOM 1694 O GLY A 103 2.612 13.890 -4.106 1.00 24.14 O ATOM 0 H GLY A 103 6.360 11.956 -3.796 1.00 71.34 H new ATOM 0 HA2 GLY A 103 5.542 13.507 -5.174 1.00 72.43 H new ATOM 0 HA3 GLY A 103 4.177 12.440 -5.434 1.00 72.43 H new ATOM 1698 N ASP A 104 4.422 14.883 -3.231 1.00 33.55 N ATOM 1699 CA ASP A 104 3.644 15.947 -2.620 1.00 23.21 C ATOM 1700 C ASP A 104 3.261 16.974 -3.677 1.00 35.52 C ATOM 1701 O ASP A 104 4.119 17.670 -4.222 1.00 25.41 O ATOM 1702 CB ASP A 104 4.420 16.620 -1.489 1.00 74.33 C ATOM 1703 CG ASP A 104 3.565 17.621 -0.738 1.00 73.33 C ATOM 1704 OD1 ASP A 104 2.743 17.189 0.097 1.00 34.52 O ATOM 1705 OD2 ASP A 104 3.702 18.839 -0.977 1.00 63.55 O ATOM 0 H ASP A 104 5.423 14.919 -3.038 1.00 33.55 H new ATOM 0 HA ASP A 104 2.741 15.511 -2.193 1.00 23.21 H new ATOM 0 HB2 ASP A 104 4.784 15.861 -0.796 1.00 74.33 H new ATOM 0 HB3 ASP A 104 5.295 17.124 -1.899 1.00 74.33 H new ATOM 1710 N ALA A 105 1.974 17.051 -3.979 1.00 51.04 N ATOM 1711 CA ALA A 105 1.492 17.913 -5.049 1.00 73.41 C ATOM 1712 C ALA A 105 0.069 18.374 -4.776 1.00 72.22 C ATOM 1713 O ALA A 105 -0.561 17.927 -3.816 1.00 12.42 O ATOM 1714 CB ALA A 105 1.565 17.184 -6.383 1.00 65.12 C ATOM 0 H ALA A 105 1.243 16.527 -3.498 1.00 51.04 H new ATOM 0 HA ALA A 105 2.131 18.795 -5.092 1.00 73.41 H new ATOM 0 HB1 ALA A 105 1.202 17.838 -7.176 1.00 65.12 H new ATOM 0 HB2 ALA A 105 2.598 16.904 -6.588 1.00 65.12 H new ATOM 0 HB3 ALA A 105 0.947 16.287 -6.342 1.00 65.12 H new ATOM 1720 N GLY A 106 -0.434 19.258 -5.627 1.00 55.04 N ATOM 1721 CA GLY A 106 -1.778 19.770 -5.468 1.00 22.45 C ATOM 1722 C GLY A 106 -2.800 18.893 -6.161 1.00 60.30 C ATOM 1723 O GLY A 106 -3.194 19.165 -7.295 1.00 63.33 O ATOM 0 H GLY A 106 0.071 19.631 -6.431 1.00 55.04 H new ATOM 0 HA2 GLY A 106 -2.018 19.838 -4.407 1.00 22.45 H new ATOM 0 HA3 GLY A 106 -1.832 20.781 -5.873 1.00 22.45 H new ATOM 1727 N GLY A 107 -3.211 17.831 -5.483 1.00 44.11 N ATOM 1728 CA GLY A 107 -4.167 16.906 -6.058 1.00 75.30 C ATOM 1729 C GLY A 107 -5.223 16.476 -5.063 1.00 52.53 C ATOM 1730 O GLY A 107 -6.085 15.658 -5.381 1.00 64.04 O ATOM 0 H GLY A 107 -2.898 17.593 -4.542 1.00 44.11 H new ATOM 0 HA2 GLY A 107 -4.649 17.373 -6.917 1.00 75.30 H new ATOM 0 HA3 GLY A 107 -3.640 16.026 -6.428 1.00 75.30 H new ATOM 1734 N LYS A 108 -5.148 17.010 -3.845 1.00 73.00 N ATOM 1735 CA LYS A 108 -6.149 16.721 -2.828 1.00 52.30 C ATOM 1736 C LYS A 108 -7.468 17.401 -3.149 1.00 43.23 C ATOM 1737 O LYS A 108 -7.543 18.254 -4.037 1.00 40.23 O ATOM 1738 CB LYS A 108 -5.663 17.169 -1.451 1.00 11.22 C ATOM 1739 CG LYS A 108 -4.663 16.218 -0.834 1.00 34.30 C ATOM 1740 CD LYS A 108 -5.291 14.860 -0.599 1.00 1.30 C ATOM 1741 CE LYS A 108 -4.281 13.884 -0.053 1.00 34.24 C ATOM 1742 NZ LYS A 108 -4.895 12.579 0.305 1.00 41.44 N ATOM 0 H LYS A 108 -4.407 17.642 -3.542 1.00 73.00 H new ATOM 0 HA LYS A 108 -6.306 15.642 -2.818 1.00 52.30 H new ATOM 0 HB2 LYS A 108 -5.210 18.157 -1.536 1.00 11.22 H new ATOM 0 HB3 LYS A 108 -6.520 17.267 -0.785 1.00 11.22 H new ATOM 0 HG2 LYS A 108 -3.798 16.116 -1.490 1.00 34.30 H new ATOM 0 HG3 LYS A 108 -4.301 16.625 0.110 1.00 34.30 H new ATOM 0 HD2 LYS A 108 -6.123 14.956 0.099 1.00 1.30 H new ATOM 0 HD3 LYS A 108 -5.702 14.479 -1.534 1.00 1.30 H new ATOM 0 HE2 LYS A 108 -3.497 13.723 -0.793 1.00 34.24 H new ATOM 0 HE3 LYS A 108 -3.804 14.313 0.828 1.00 34.24 H new ATOM 0 HZ1 LYS A 108 -4.146 11.875 0.464 1.00 41.44 H new ATOM 0 HZ2 LYS A 108 -5.459 12.687 1.172 1.00 41.44 H new ATOM 0 HZ3 LYS A 108 -5.510 12.260 -0.471 1.00 41.44 H new ATOM 1756 N LEU A 109 -8.502 17.029 -2.411 1.00 23.51 N ATOM 1757 CA LEU A 109 -9.820 17.608 -2.607 1.00 72.10 C ATOM 1758 C LEU A 109 -9.890 18.981 -1.957 1.00 71.32 C ATOM 1759 O LEU A 109 -10.108 19.097 -0.748 1.00 43.15 O ATOM 1760 CB LEU A 109 -10.909 16.698 -2.024 1.00 33.12 C ATOM 1761 CG LEU A 109 -12.343 17.215 -2.181 1.00 0.23 C ATOM 1762 CD1 LEU A 109 -12.727 17.294 -3.650 1.00 1.40 C ATOM 1763 CD2 LEU A 109 -13.315 16.329 -1.418 1.00 53.04 C ATOM 0 H LEU A 109 -8.453 16.329 -1.671 1.00 23.51 H new ATOM 0 HA LEU A 109 -9.992 17.709 -3.679 1.00 72.10 H new ATOM 0 HB2 LEU A 109 -10.838 15.721 -2.501 1.00 33.12 H new ATOM 0 HB3 LEU A 109 -10.707 16.550 -0.963 1.00 33.12 H new ATOM 0 HG LEU A 109 -12.394 18.220 -1.762 1.00 0.23 H new ATOM 0 HD11 LEU A 109 -13.749 17.663 -3.740 1.00 1.40 H new ATOM 0 HD12 LEU A 109 -12.049 17.973 -4.167 1.00 1.40 H new ATOM 0 HD13 LEU A 109 -12.659 16.303 -4.098 1.00 1.40 H new ATOM 0 HD21 LEU A 109 -14.329 16.711 -1.541 1.00 53.04 H new ATOM 0 HD22 LEU A 109 -13.261 15.312 -1.806 1.00 53.04 H new ATOM 0 HD23 LEU A 109 -13.053 16.328 -0.360 1.00 53.04 H new ATOM 1775 N GLU A 110 -9.681 20.018 -2.752 1.00 31.33 N ATOM 1776 CA GLU A 110 -9.736 21.377 -2.248 1.00 11.21 C ATOM 1777 C GLU A 110 -11.189 21.765 -2.001 1.00 3.31 C ATOM 1778 O GLU A 110 -11.947 21.998 -2.943 1.00 30.05 O ATOM 1779 CB GLU A 110 -9.090 22.345 -3.238 1.00 63.32 C ATOM 1780 CG GLU A 110 -8.659 23.662 -2.614 1.00 51.03 C ATOM 1781 CD GLU A 110 -7.517 23.488 -1.632 1.00 23.42 C ATOM 1782 OE1 GLU A 110 -6.345 23.542 -2.060 1.00 34.34 O ATOM 1783 OE2 GLU A 110 -7.782 23.287 -0.427 1.00 53.32 O ATOM 0 H GLU A 110 -9.472 19.943 -3.748 1.00 31.33 H new ATOM 0 HA GLU A 110 -9.182 21.432 -1.311 1.00 11.21 H new ATOM 0 HB2 GLU A 110 -8.221 21.865 -3.687 1.00 63.32 H new ATOM 0 HB3 GLU A 110 -9.794 22.549 -4.045 1.00 63.32 H new ATOM 0 HG2 GLU A 110 -8.356 24.352 -3.401 1.00 51.03 H new ATOM 0 HG3 GLU A 110 -9.509 24.114 -2.103 1.00 51.03 H new ATOM 1790 N HIS A 111 -11.575 21.808 -0.734 1.00 34.25 N ATOM 1791 CA HIS A 111 -12.953 22.084 -0.368 1.00 23.23 C ATOM 1792 C HIS A 111 -13.006 23.112 0.759 1.00 41.40 C ATOM 1793 O HIS A 111 -12.509 22.872 1.858 1.00 21.41 O ATOM 1794 CB HIS A 111 -13.681 20.784 0.023 1.00 73.11 C ATOM 1795 CG HIS A 111 -13.123 20.073 1.225 1.00 25.14 C ATOM 1796 ND1 HIS A 111 -11.951 19.344 1.206 1.00 21.23 N ATOM 1797 CD2 HIS A 111 -13.594 19.982 2.489 1.00 25.53 C ATOM 1798 CE1 HIS A 111 -11.732 18.838 2.405 1.00 25.22 C ATOM 1799 NE2 HIS A 111 -12.713 19.211 3.205 1.00 62.12 N ATOM 0 H HIS A 111 -10.951 21.655 0.058 1.00 34.25 H new ATOM 0 HA HIS A 111 -13.468 22.505 -1.232 1.00 23.23 H new ATOM 0 HB2 HIS A 111 -14.729 21.017 0.213 1.00 73.11 H new ATOM 0 HB3 HIS A 111 -13.655 20.102 -0.827 1.00 73.11 H new ATOM 0 HD1 HIS A 111 -11.349 19.216 0.393 1.00 21.23 H new ATOM 0 HD2 HIS A 111 -14.499 20.434 2.867 1.00 25.53 H new ATOM 0 HE1 HIS A 111 -10.890 18.222 2.685 1.00 25.22 H new ATOM 1808 N HIS A 112 -13.576 24.270 0.470 1.00 21.11 N ATOM 1809 CA HIS A 112 -13.650 25.351 1.447 1.00 52.11 C ATOM 1810 C HIS A 112 -14.999 26.052 1.375 1.00 63.51 C ATOM 1811 O HIS A 112 -15.520 26.310 0.290 1.00 33.52 O ATOM 1812 CB HIS A 112 -12.534 26.383 1.222 1.00 23.42 C ATOM 1813 CG HIS A 112 -11.146 25.834 1.354 1.00 44.35 C ATOM 1814 ND1 HIS A 112 -10.531 25.612 2.567 1.00 61.34 N ATOM 1815 CD2 HIS A 112 -10.251 25.459 0.410 1.00 1.14 C ATOM 1816 CE1 HIS A 112 -9.322 25.126 2.362 1.00 34.31 C ATOM 1817 NE2 HIS A 112 -9.127 25.023 1.063 1.00 41.01 N ATOM 0 H HIS A 112 -13.996 24.489 -0.434 1.00 21.11 H new ATOM 0 HA HIS A 112 -13.525 24.904 2.433 1.00 52.11 H new ATOM 0 HB2 HIS A 112 -12.648 26.812 0.227 1.00 23.42 H new ATOM 0 HB3 HIS A 112 -12.659 27.197 1.936 1.00 23.42 H new ATOM 0 HD2 HIS A 112 -10.396 25.496 -0.660 1.00 1.14 H new ATOM 0 HE1 HIS A 112 -8.611 24.858 3.130 1.00 34.31 H new ATOM 0 HE2 HIS A 112 -8.278 24.676 0.616 1.00 41.01 H new ATOM 1826 N HIS A 113 -15.563 26.340 2.534 1.00 73.23 N ATOM 1827 CA HIS A 113 -16.771 27.146 2.623 1.00 42.43 C ATOM 1828 C HIS A 113 -16.606 28.200 3.708 1.00 40.23 C ATOM 1829 O HIS A 113 -16.460 27.882 4.887 1.00 24.41 O ATOM 1830 CB HIS A 113 -18.022 26.282 2.871 1.00 34.41 C ATOM 1831 CG HIS A 113 -17.952 25.382 4.066 1.00 14.20 C ATOM 1832 ND1 HIS A 113 -18.477 25.716 5.295 1.00 0.32 N ATOM 1833 CD2 HIS A 113 -17.440 24.136 4.206 1.00 63.01 C ATOM 1834 CE1 HIS A 113 -18.291 24.718 6.137 1.00 60.42 C ATOM 1835 NE2 HIS A 113 -17.665 23.745 5.503 1.00 22.33 N ATOM 0 H HIS A 113 -15.202 26.026 3.434 1.00 73.23 H new ATOM 0 HA HIS A 113 -16.920 27.644 1.665 1.00 42.43 H new ATOM 0 HB2 HIS A 113 -18.882 26.942 2.984 1.00 34.41 H new ATOM 0 HB3 HIS A 113 -18.202 25.671 1.987 1.00 34.41 H new ATOM 0 HD2 HIS A 113 -16.946 23.557 3.440 1.00 63.01 H new ATOM 0 HE1 HIS A 113 -18.599 24.700 7.172 1.00 60.42 H new ATOM 0 HE2 HIS A 113 -17.393 22.850 5.909 1.00 22.33 H new ATOM 1844 N HIS A 114 -16.609 29.453 3.290 1.00 2.12 N ATOM 1845 CA HIS A 114 -16.365 30.566 4.195 1.00 75.23 C ATOM 1846 C HIS A 114 -17.531 30.733 5.162 1.00 60.00 C ATOM 1847 O HIS A 114 -18.690 30.531 4.797 1.00 52.42 O ATOM 1848 CB HIS A 114 -16.144 31.852 3.391 1.00 13.24 C ATOM 1849 CG HIS A 114 -15.590 32.994 4.192 1.00 34.02 C ATOM 1850 ND1 HIS A 114 -14.239 33.194 4.377 1.00 40.32 N ATOM 1851 CD2 HIS A 114 -16.209 34.009 4.842 1.00 11.35 C ATOM 1852 CE1 HIS A 114 -14.051 34.280 5.102 1.00 75.41 C ATOM 1853 NE2 HIS A 114 -15.231 34.794 5.399 1.00 44.54 N ATOM 0 H HIS A 114 -16.779 29.728 2.323 1.00 2.12 H new ATOM 0 HA HIS A 114 -15.468 30.357 4.778 1.00 75.23 H new ATOM 0 HB2 HIS A 114 -15.464 31.639 2.566 1.00 13.24 H new ATOM 0 HB3 HIS A 114 -17.093 32.159 2.951 1.00 13.24 H new ATOM 0 HD2 HIS A 114 -17.275 34.170 4.909 1.00 11.35 H new ATOM 0 HE1 HIS A 114 -13.094 34.681 5.402 1.00 75.41 H new ATOM 0 HE2 HIS A 114 -15.389 35.636 5.952 1.00 44.54 H new ATOM 1862 N HIS A 115 -17.222 31.081 6.400 1.00 23.21 N ATOM 1863 CA HIS A 115 -18.252 31.314 7.397 1.00 72.45 C ATOM 1864 C HIS A 115 -18.763 32.745 7.286 1.00 24.23 C ATOM 1865 O HIS A 115 -18.126 33.682 7.761 1.00 61.34 O ATOM 1866 CB HIS A 115 -17.714 31.039 8.808 1.00 73.35 C ATOM 1867 CG HIS A 115 -18.726 31.250 9.897 1.00 74.43 C ATOM 1868 ND1 HIS A 115 -19.677 30.311 10.228 1.00 54.32 N ATOM 1869 CD2 HIS A 115 -18.924 32.295 10.734 1.00 25.10 C ATOM 1870 CE1 HIS A 115 -20.417 30.769 11.220 1.00 65.42 C ATOM 1871 NE2 HIS A 115 -19.982 31.971 11.548 1.00 72.14 N ATOM 0 H HIS A 115 -16.268 31.208 6.738 1.00 23.21 H new ATOM 0 HA HIS A 115 -19.080 30.629 7.214 1.00 72.45 H new ATOM 0 HB2 HIS A 115 -17.353 30.011 8.855 1.00 73.35 H new ATOM 0 HB3 HIS A 115 -16.857 31.686 8.992 1.00 73.35 H new ATOM 0 HD2 HIS A 115 -18.356 33.213 10.758 1.00 25.10 H new ATOM 0 HE1 HIS A 115 -21.240 30.248 11.685 1.00 65.42 H new ATOM 0 HE2 HIS A 115 -20.368 32.562 12.284 1.00 72.14 H new ATOM 1880 N HIS A 116 -19.897 32.907 6.627 1.00 10.44 N ATOM 1881 CA HIS A 116 -20.492 34.224 6.450 1.00 10.15 C ATOM 1882 C HIS A 116 -22.001 34.092 6.293 1.00 10.21 C ATOM 1883 O HIS A 116 -22.519 32.974 6.196 1.00 13.14 O ATOM 1884 CB HIS A 116 -19.887 34.917 5.222 1.00 74.51 C ATOM 1885 CG HIS A 116 -20.237 36.370 5.110 1.00 22.12 C ATOM 1886 ND1 HIS A 116 -21.280 36.843 4.343 1.00 5.20 N ATOM 1887 CD2 HIS A 116 -19.668 37.459 5.677 1.00 25.22 C ATOM 1888 CE1 HIS A 116 -21.338 38.157 4.448 1.00 4.14 C ATOM 1889 NE2 HIS A 116 -20.373 38.556 5.251 1.00 13.40 N ATOM 0 H HIS A 116 -20.426 32.144 6.205 1.00 10.44 H new ATOM 0 HA HIS A 116 -20.280 34.831 7.330 1.00 10.15 H new ATOM 0 HB2 HIS A 116 -18.802 34.817 5.258 1.00 74.51 H new ATOM 0 HB3 HIS A 116 -20.225 34.402 4.323 1.00 74.51 H new ATOM 0 HD2 HIS A 116 -18.817 37.464 6.342 1.00 25.22 H new ATOM 0 HE1 HIS A 116 -22.056 38.798 3.958 1.00 4.14 H new ATOM 0 HE2 HIS A 116 -20.181 39.523 5.513 1.00 13.40 H new TER 1898 HIS A 116