USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 925 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 89 MET CE :methyl 166:sc= 0 (180deg=0) USER MOD Set 1.2: A 93 SER OG : rot 48:sc= 1.26 USER MOD Set 2.1: A 24 ASN : amide:sc= -0.133! K(o=-0.3!,f=-1.8) USER MOD Set 2.2: A 29 GLN :FLIP amide:sc= -0.164 F(o=-2.2,f=-0.3) USER MOD Set 3.1: A 20 ASN :FLIP amide:sc= -1.57 F(o=-5.2!,f=-2) USER MOD Set 3.2: A 32 GLN :FLIP amide:sc= -0.48 F(o=-7.5!,f=-2) USER MOD Single : A 3 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -173:sc=-0.00774 (180deg=-0.0894) USER MOD Single : A 12 GLN : amide:sc= -2.66! C(o=-2.7!,f=-6.7!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= -0.0468 (180deg=-0.25) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 177:sc= 0.705 USER MOD Single : A 35 ASN :FLIP amide:sc= -4.41! C(o=-5.2!,f=-4.4!) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.857 F(o=-4,f=-0.86) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 153:sc= -0.247 (180deg=-1.25!) USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= -2.5! (180deg=-2.56!) USER MOD Single : A 60 MET CE :methyl -136:sc= -0.235 (180deg=-0.986) USER MOD Single : A 67 LYS NZ :NH3+ -135:sc= 1.26 (180deg=1.05) USER MOD Single : A 69 MET CE :methyl -114:sc= -7.62! (180deg=-8.13!) USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= -0.308! (180deg=-1.27!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.357 F(o=-4.7!,f=-0.36) USER MOD Single : A 81 MET CE :methyl 141:sc= -6.25! (180deg=-9.49!) USER MOD Single : A 82 THR OG1 : rot 61:sc= -2.47! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= 0.223 K(o=0.22,f=-0.83) USER MOD Single : A 116 LYS NZ :NH3+ 165:sc=-0.00505 (180deg=-0.19) USER MOD Single : A 117 LYS NZ :NH3+ -139:sc= 1.29 (180deg=1.04) USER MOD Single : A 118 TYR OH : rot 30:sc= -0.874 USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 -10.712 6.487 10.103 1.00 0.60 N ATOM 38 CA ASN A 3 -10.767 5.179 9.472 1.00 0.58 C ATOM 39 C ASN A 3 -9.787 5.130 8.311 1.00 0.41 C ATOM 40 O ASN A 3 -9.474 4.070 7.777 1.00 0.47 O ATOM 41 CB ASN A 3 -12.177 4.863 8.980 1.00 0.73 C ATOM 42 CG ASN A 3 -12.618 5.837 7.925 1.00 1.80 C ATOM 43 OD1 ASN A 3 -12.519 5.575 6.724 1.00 2.57 O ATOM 44 ND2 ASN A 3 -13.082 6.982 8.367 1.00 2.06 N ATOM 0 HA ASN A 3 -10.493 4.428 10.213 1.00 0.58 H new ATOM 0 HB2 ASN A 3 -12.206 3.850 8.578 1.00 0.73 H new ATOM 0 HB3 ASN A 3 -12.872 4.893 9.819 1.00 0.73 H new ATOM 0 HD21 ASN A 3 -13.379 7.701 7.707 1.00 2.06 H new ATOM 0 HD22 ASN A 3 -13.145 7.153 9.371 1.00 2.06 H new ATOM 51 N GLU A 4 -9.305 6.300 7.946 1.00 0.28 N ATOM 52 CA GLU A 4 -8.403 6.467 6.830 1.00 0.20 C ATOM 53 C GLU A 4 -6.953 6.179 7.249 1.00 0.17 C ATOM 54 O GLU A 4 -6.402 6.876 8.098 1.00 0.20 O ATOM 55 CB GLU A 4 -8.560 7.900 6.283 1.00 0.24 C ATOM 56 CG GLU A 4 -8.110 9.029 7.226 1.00 0.39 C ATOM 57 CD GLU A 4 -9.068 9.317 8.376 1.00 0.99 C ATOM 58 OE1 GLU A 4 -10.117 8.651 8.485 1.00 1.26 O ATOM 59 OE2 GLU A 4 -8.765 10.211 9.190 1.00 1.70 O ATOM 0 H GLU A 4 -9.533 7.172 8.424 1.00 0.28 H new ATOM 0 HA GLU A 4 -8.651 5.754 6.044 1.00 0.20 H new ATOM 0 HB2 GLU A 4 -7.993 7.979 5.356 1.00 0.24 H new ATOM 0 HB3 GLU A 4 -9.608 8.059 6.030 1.00 0.24 H new ATOM 0 HG2 GLU A 4 -7.135 8.772 7.639 1.00 0.39 H new ATOM 0 HG3 GLU A 4 -7.979 9.941 6.643 1.00 0.39 H new ATOM 66 N LYS A 5 -6.344 5.126 6.685 1.00 0.17 N ATOM 67 CA LYS A 5 -4.980 4.728 7.073 1.00 0.18 C ATOM 68 C LYS A 5 -4.197 4.072 5.923 1.00 0.17 C ATOM 69 O LYS A 5 -4.671 3.108 5.322 1.00 0.18 O ATOM 70 CB LYS A 5 -5.037 3.751 8.241 1.00 0.26 C ATOM 71 CG LYS A 5 -5.714 4.285 9.494 1.00 0.79 C ATOM 72 CD LYS A 5 -6.879 3.401 9.901 1.00 0.87 C ATOM 73 CE LYS A 5 -7.631 3.965 11.097 1.00 1.27 C ATOM 74 NZ LYS A 5 -8.664 3.019 11.600 1.00 1.93 N ATOM 0 H LYS A 5 -6.767 4.539 5.966 1.00 0.17 H new ATOM 0 HA LYS A 5 -4.459 5.643 7.354 1.00 0.18 H new ATOM 0 HB2 LYS A 5 -5.562 2.852 7.918 1.00 0.26 H new ATOM 0 HB3 LYS A 5 -4.020 3.452 8.495 1.00 0.26 H new ATOM 0 HG2 LYS A 5 -4.991 4.338 10.308 1.00 0.79 H new ATOM 0 HG3 LYS A 5 -6.068 5.300 9.316 1.00 0.79 H new ATOM 0 HD2 LYS A 5 -7.564 3.294 9.060 1.00 0.87 H new ATOM 0 HD3 LYS A 5 -6.511 2.404 10.142 1.00 0.87 H new ATOM 0 HE2 LYS A 5 -6.925 4.190 11.896 1.00 1.27 H new ATOM 0 HE3 LYS A 5 -8.106 4.905 10.817 1.00 1.27 H new ATOM 0 HZ1 LYS A 5 -9.232 3.485 12.336 1.00 1.93 H new ATOM 0 HZ2 LYS A 5 -9.283 2.731 10.815 1.00 1.93 H new ATOM 0 HZ3 LYS A 5 -8.200 2.179 12.001 1.00 1.93 H new ATOM 88 N ILE A 6 -2.980 4.567 5.656 1.00 0.16 N ATOM 89 CA ILE A 6 -2.096 3.977 4.636 1.00 0.15 C ATOM 90 C ILE A 6 -0.626 4.086 5.076 1.00 0.15 C ATOM 91 O ILE A 6 -0.252 5.032 5.752 1.00 0.20 O ATOM 92 CB ILE A 6 -2.225 4.690 3.263 1.00 0.17 C ATOM 93 CG1 ILE A 6 -3.641 4.592 2.702 1.00 0.18 C ATOM 94 CG2 ILE A 6 -1.235 4.110 2.261 1.00 0.18 C ATOM 95 CD1 ILE A 6 -3.805 5.301 1.375 1.00 0.19 C ATOM 0 H ILE A 6 -2.583 5.377 6.133 1.00 0.16 H new ATOM 0 HA ILE A 6 -2.401 2.936 4.531 1.00 0.15 H new ATOM 0 HB ILE A 6 -1.998 5.743 3.427 1.00 0.17 H new ATOM 0 HG12 ILE A 6 -3.905 3.542 2.581 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.341 5.016 3.422 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -1.342 4.623 1.305 1.00 0.18 H new ATOM 0 HG22 ILE A 6 -0.219 4.244 2.634 1.00 0.18 H new ATOM 0 HG23 ILE A 6 -1.435 3.047 2.126 1.00 0.18 H new ATOM 0 HD11 ILE A 6 -4.833 5.194 1.030 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -3.571 6.359 1.496 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -3.129 4.862 0.642 1.00 0.19 H new ATOM 107 N LEU A 7 0.207 3.131 4.694 1.00 0.14 N ATOM 108 CA LEU A 7 1.642 3.253 4.909 1.00 0.16 C ATOM 109 C LEU A 7 2.336 3.381 3.556 1.00 0.25 C ATOM 110 O LEU A 7 1.865 2.820 2.594 1.00 0.59 O ATOM 111 CB LEU A 7 2.168 2.031 5.669 1.00 0.23 C ATOM 112 CG LEU A 7 3.248 2.323 6.711 1.00 0.27 C ATOM 113 CD1 LEU A 7 4.508 2.861 6.064 1.00 0.69 C ATOM 114 CD2 LEU A 7 2.725 3.308 7.734 1.00 0.47 C ATOM 0 H LEU A 7 -0.083 2.267 4.236 1.00 0.14 H new ATOM 0 HA LEU A 7 1.850 4.140 5.508 1.00 0.16 H new ATOM 0 HB2 LEU A 7 1.329 1.545 6.166 1.00 0.23 H new ATOM 0 HB3 LEU A 7 2.567 1.319 4.947 1.00 0.23 H new ATOM 0 HG LEU A 7 3.501 1.387 7.208 1.00 0.27 H new ATOM 0 HD11 LEU A 7 5.256 3.058 6.832 1.00 0.69 H new ATOM 0 HD12 LEU A 7 4.897 2.126 5.359 1.00 0.69 H new ATOM 0 HD13 LEU A 7 4.279 3.786 5.535 1.00 0.69 H new ATOM 0 HD21 LEU A 7 3.500 3.511 8.473 1.00 0.47 H new ATOM 0 HD22 LEU A 7 2.446 4.237 7.236 1.00 0.47 H new ATOM 0 HD23 LEU A 7 1.851 2.887 8.231 1.00 0.47 H new ATOM 126 N ILE A 8 3.394 4.177 3.467 1.00 0.19 N ATOM 127 CA ILE A 8 4.199 4.262 2.240 1.00 0.19 C ATOM 128 C ILE A 8 5.668 3.940 2.562 1.00 0.19 C ATOM 129 O ILE A 8 6.375 4.747 3.174 1.00 0.24 O ATOM 130 CB ILE A 8 4.114 5.673 1.594 1.00 0.22 C ATOM 131 CG1 ILE A 8 2.674 6.009 1.185 1.00 0.23 C ATOM 132 CG2 ILE A 8 5.040 5.776 0.390 1.00 0.28 C ATOM 133 CD1 ILE A 8 1.814 6.506 2.324 1.00 0.20 C ATOM 0 H ILE A 8 3.720 4.776 4.226 1.00 0.19 H new ATOM 0 HA ILE A 8 3.800 3.538 1.530 1.00 0.19 H new ATOM 0 HB ILE A 8 4.435 6.397 2.342 1.00 0.22 H new ATOM 0 HG12 ILE A 8 2.697 6.767 0.402 1.00 0.23 H new ATOM 0 HG13 ILE A 8 2.212 5.120 0.755 1.00 0.23 H new ATOM 0 HG21 ILE A 8 4.962 6.773 -0.045 1.00 0.28 H new ATOM 0 HG22 ILE A 8 6.068 5.597 0.705 1.00 0.28 H new ATOM 0 HG23 ILE A 8 4.754 5.033 -0.354 1.00 0.28 H new ATOM 0 HD11 ILE A 8 0.811 6.722 1.955 1.00 0.20 H new ATOM 0 HD12 ILE A 8 1.759 5.741 3.099 1.00 0.20 H new ATOM 0 HD13 ILE A 8 2.251 7.414 2.741 1.00 0.20 H new ATOM 145 N VAL A 9 6.111 2.749 2.175 1.00 0.19 N ATOM 146 CA VAL A 9 7.462 2.282 2.480 1.00 0.19 C ATOM 147 C VAL A 9 8.343 2.293 1.243 1.00 0.19 C ATOM 148 O VAL A 9 8.204 1.426 0.380 1.00 0.22 O ATOM 149 CB VAL A 9 7.449 0.841 3.011 1.00 0.20 C ATOM 150 CG1 VAL A 9 8.781 0.501 3.665 1.00 0.23 C ATOM 151 CG2 VAL A 9 6.288 0.625 3.963 1.00 0.21 C ATOM 0 H VAL A 9 5.550 2.083 1.645 1.00 0.19 H new ATOM 0 HA VAL A 9 7.855 2.963 3.235 1.00 0.19 H new ATOM 0 HB VAL A 9 7.309 0.163 2.169 1.00 0.20 H new ATOM 0 HG11 VAL A 9 8.753 -0.524 4.035 1.00 0.23 H new ATOM 0 HG12 VAL A 9 9.582 0.601 2.932 1.00 0.23 H new ATOM 0 HG13 VAL A 9 8.963 1.182 4.496 1.00 0.23 H new ATOM 0 HG21 VAL A 9 6.301 -0.403 4.325 1.00 0.21 H new ATOM 0 HG22 VAL A 9 6.378 1.308 4.807 1.00 0.21 H new ATOM 0 HG23 VAL A 9 5.350 0.814 3.441 1.00 0.21 H new ATOM 161 N ASP A 10 9.270 3.238 1.190 1.00 0.21 N ATOM 162 CA ASP A 10 10.168 3.395 0.034 1.00 0.30 C ATOM 163 C ASP A 10 11.008 4.632 0.246 1.00 0.42 C ATOM 164 O ASP A 10 10.461 5.679 0.545 1.00 0.83 O ATOM 165 CB ASP A 10 9.386 3.536 -1.281 1.00 0.45 C ATOM 166 CG ASP A 10 10.291 3.722 -2.488 1.00 1.13 C ATOM 167 OD1 ASP A 10 10.620 4.875 -2.823 1.00 1.63 O ATOM 168 OD2 ASP A 10 10.679 2.718 -3.115 1.00 1.84 O ATOM 0 H ASP A 10 9.428 3.917 1.935 1.00 0.21 H new ATOM 0 HA ASP A 10 10.791 2.504 -0.043 1.00 0.30 H new ATOM 0 HB2 ASP A 10 8.769 2.649 -1.428 1.00 0.45 H new ATOM 0 HB3 ASP A 10 8.709 4.387 -1.206 1.00 0.45 H new ATOM 173 N ASP A 11 12.321 4.525 0.105 1.00 0.29 N ATOM 174 CA ASP A 11 13.207 5.631 0.451 1.00 0.36 C ATOM 175 C ASP A 11 13.094 6.779 -0.550 1.00 0.38 C ATOM 176 O ASP A 11 13.956 6.979 -1.409 1.00 0.73 O ATOM 177 CB ASP A 11 14.651 5.157 0.573 1.00 0.48 C ATOM 178 CG ASP A 11 15.525 6.183 1.264 1.00 0.63 C ATOM 179 OD1 ASP A 11 15.163 6.641 2.367 1.00 0.77 O ATOM 180 OD2 ASP A 11 16.573 6.557 0.694 1.00 0.74 O ATOM 0 H ASP A 11 12.795 3.692 -0.243 1.00 0.29 H new ATOM 0 HA ASP A 11 12.889 6.010 1.422 1.00 0.36 H new ATOM 0 HB2 ASP A 11 14.680 4.221 1.130 1.00 0.48 H new ATOM 0 HB3 ASP A 11 15.050 4.949 -0.420 1.00 0.48 H new ATOM 185 N GLN A 12 11.995 7.501 -0.440 1.00 0.56 N ATOM 186 CA GLN A 12 11.727 8.671 -1.252 1.00 0.60 C ATOM 187 C GLN A 12 12.229 9.909 -0.536 1.00 0.54 C ATOM 188 O GLN A 12 12.120 10.008 0.689 1.00 0.66 O ATOM 189 CB GLN A 12 10.226 8.780 -1.516 1.00 0.83 C ATOM 190 CG GLN A 12 9.655 7.561 -2.219 1.00 1.01 C ATOM 191 CD GLN A 12 8.142 7.520 -2.213 1.00 1.87 C ATOM 192 OE1 GLN A 12 7.500 8.028 -1.295 1.00 2.56 O ATOM 193 NE2 GLN A 12 7.562 6.902 -3.228 1.00 2.51 N ATOM 0 H GLN A 12 11.253 7.287 0.226 1.00 0.56 H new ATOM 0 HA GLN A 12 12.245 8.581 -2.207 1.00 0.60 H new ATOM 0 HB2 GLN A 12 9.706 8.923 -0.569 1.00 0.83 H new ATOM 0 HB3 GLN A 12 10.033 9.665 -2.122 1.00 0.83 H new ATOM 0 HG2 GLN A 12 10.008 7.547 -3.250 1.00 1.01 H new ATOM 0 HG3 GLN A 12 10.038 6.661 -1.738 1.00 1.01 H new ATOM 0 HE21 GLN A 12 8.131 6.494 -3.969 1.00 2.51 H new ATOM 0 HE22 GLN A 12 6.545 6.833 -3.270 1.00 2.51 H new ATOM 202 N TYR A 13 12.778 10.839 -1.300 1.00 0.55 N ATOM 203 CA TYR A 13 13.393 12.032 -0.747 1.00 0.60 C ATOM 204 C TYR A 13 12.391 12.849 0.063 1.00 0.51 C ATOM 205 O TYR A 13 12.680 13.265 1.183 1.00 0.61 O ATOM 206 CB TYR A 13 13.959 12.862 -1.891 1.00 0.75 C ATOM 207 CG TYR A 13 15.085 12.177 -2.629 1.00 1.43 C ATOM 208 CD1 TYR A 13 16.380 12.194 -2.129 1.00 1.81 C ATOM 209 CD2 TYR A 13 14.853 11.508 -3.825 1.00 2.25 C ATOM 210 CE1 TYR A 13 17.411 11.564 -2.798 1.00 2.61 C ATOM 211 CE2 TYR A 13 15.879 10.877 -4.498 1.00 3.15 C ATOM 212 CZ TYR A 13 17.153 10.908 -3.981 1.00 3.23 C ATOM 213 OH TYR A 13 18.177 10.279 -4.648 1.00 4.16 O ATOM 0 H TYR A 13 12.809 10.788 -2.318 1.00 0.55 H new ATOM 0 HA TYR A 13 14.194 11.740 -0.068 1.00 0.60 H new ATOM 0 HB2 TYR A 13 13.159 13.090 -2.595 1.00 0.75 H new ATOM 0 HB3 TYR A 13 14.318 13.813 -1.497 1.00 0.75 H new ATOM 0 HD1 TYR A 13 16.585 12.708 -1.202 1.00 1.81 H new ATOM 0 HD2 TYR A 13 13.854 11.482 -4.234 1.00 2.25 H new ATOM 0 HE1 TYR A 13 18.413 11.586 -2.396 1.00 2.61 H new ATOM 0 HE2 TYR A 13 15.683 10.361 -5.426 1.00 3.15 H new ATOM 0 HH TYR A 13 17.829 9.863 -5.464 1.00 4.16 H new ATOM 223 N GLY A 14 11.215 13.065 -0.507 1.00 0.43 N ATOM 224 CA GLY A 14 10.159 13.749 0.212 1.00 0.39 C ATOM 225 C GLY A 14 8.781 13.346 -0.272 1.00 0.37 C ATOM 226 O GLY A 14 7.794 14.018 0.010 1.00 0.45 O ATOM 0 H GLY A 14 10.972 12.779 -1.455 1.00 0.43 H new ATOM 0 HA2 GLY A 14 10.246 13.531 1.276 1.00 0.39 H new ATOM 0 HA3 GLY A 14 10.282 14.826 0.096 1.00 0.39 H new ATOM 230 N ILE A 15 8.703 12.230 -0.982 1.00 0.37 N ATOM 231 CA ILE A 15 7.428 11.764 -1.505 1.00 0.38 C ATOM 232 C ILE A 15 6.658 11.056 -0.401 1.00 0.30 C ATOM 233 O ILE A 15 5.436 11.159 -0.308 1.00 0.31 O ATOM 234 CB ILE A 15 7.609 10.810 -2.707 1.00 0.50 C ATOM 235 CG1 ILE A 15 8.530 11.438 -3.756 1.00 0.63 C ATOM 236 CG2 ILE A 15 6.257 10.480 -3.324 1.00 0.56 C ATOM 237 CD1 ILE A 15 8.864 10.508 -4.901 1.00 0.95 C ATOM 0 H ILE A 15 9.500 11.635 -1.208 1.00 0.37 H new ATOM 0 HA ILE A 15 6.872 12.634 -1.856 1.00 0.38 H new ATOM 0 HB ILE A 15 8.068 9.888 -2.351 1.00 0.50 H new ATOM 0 HG12 ILE A 15 8.056 12.335 -4.154 1.00 0.63 H new ATOM 0 HG13 ILE A 15 9.455 11.754 -3.273 1.00 0.63 H new ATOM 0 HG21 ILE A 15 6.398 9.807 -4.170 1.00 0.56 H new ATOM 0 HG22 ILE A 15 5.625 9.998 -2.578 1.00 0.56 H new ATOM 0 HG23 ILE A 15 5.779 11.398 -3.666 1.00 0.56 H new ATOM 0 HD11 ILE A 15 9.520 11.019 -5.606 1.00 0.95 H new ATOM 0 HD12 ILE A 15 9.367 9.621 -4.515 1.00 0.95 H new ATOM 0 HD13 ILE A 15 7.946 10.212 -5.409 1.00 0.95 H new ATOM 249 N ARG A 16 7.403 10.378 0.465 1.00 0.30 N ATOM 250 CA ARG A 16 6.822 9.671 1.606 1.00 0.35 C ATOM 251 C ARG A 16 6.030 10.622 2.496 1.00 0.33 C ATOM 252 O ARG A 16 5.040 10.234 3.110 1.00 0.43 O ATOM 253 CB ARG A 16 7.913 8.990 2.431 1.00 0.49 C ATOM 254 CG ARG A 16 8.340 7.644 1.882 1.00 0.58 C ATOM 255 CD ARG A 16 9.433 7.012 2.732 1.00 0.82 C ATOM 256 NE ARG A 16 10.653 7.825 2.745 1.00 1.64 N ATOM 257 CZ ARG A 16 11.866 7.339 3.014 1.00 2.17 C ATOM 258 NH1 ARG A 16 12.009 6.080 3.407 1.00 2.49 N ATOM 259 NH2 ARG A 16 12.935 8.117 2.898 1.00 2.91 N ATOM 0 H ARG A 16 8.418 10.302 0.399 1.00 0.30 H new ATOM 0 HA ARG A 16 6.144 8.913 1.212 1.00 0.35 H new ATOM 0 HB2 ARG A 16 8.783 9.645 2.479 1.00 0.49 H new ATOM 0 HB3 ARG A 16 7.556 8.859 3.452 1.00 0.49 H new ATOM 0 HG2 ARG A 16 7.479 6.977 1.842 1.00 0.58 H new ATOM 0 HG3 ARG A 16 8.698 7.765 0.859 1.00 0.58 H new ATOM 0 HD2 ARG A 16 9.071 6.884 3.752 1.00 0.82 H new ATOM 0 HD3 ARG A 16 9.663 6.018 2.348 1.00 0.82 H new ATOM 0 HE ARG A 16 10.570 8.820 2.536 1.00 1.64 H new ATOM 0 HH11 ARG A 16 11.190 5.480 3.504 1.00 2.49 H new ATOM 0 HH12 ARG A 16 12.938 5.712 3.612 1.00 2.49 H new ATOM 0 HH21 ARG A 16 12.830 9.088 2.603 1.00 2.91 H new ATOM 0 HH22 ARG A 16 13.862 7.744 3.104 1.00 2.91 H new ATOM 273 N ILE A 17 6.471 11.873 2.551 1.00 0.27 N ATOM 274 CA ILE A 17 5.847 12.863 3.412 1.00 0.29 C ATOM 275 C ILE A 17 4.842 13.719 2.638 1.00 0.32 C ATOM 276 O ILE A 17 3.866 14.203 3.205 1.00 0.34 O ATOM 277 CB ILE A 17 6.911 13.755 4.092 1.00 0.32 C ATOM 278 CG1 ILE A 17 6.268 14.743 5.073 1.00 0.40 C ATOM 279 CG2 ILE A 17 7.739 14.499 3.057 1.00 0.39 C ATOM 280 CD1 ILE A 17 5.669 14.084 6.295 1.00 0.68 C ATOM 0 H ILE A 17 7.260 12.224 2.008 1.00 0.27 H new ATOM 0 HA ILE A 17 5.303 12.326 4.189 1.00 0.29 H new ATOM 0 HB ILE A 17 7.573 13.100 4.658 1.00 0.32 H new ATOM 0 HG12 ILE A 17 7.019 15.465 5.392 1.00 0.40 H new ATOM 0 HG13 ILE A 17 5.489 15.302 4.554 1.00 0.40 H new ATOM 0 HG21 ILE A 17 8.480 15.119 3.561 1.00 0.39 H new ATOM 0 HG22 ILE A 17 8.245 13.781 2.412 1.00 0.39 H new ATOM 0 HG23 ILE A 17 7.086 15.131 2.455 1.00 0.39 H new ATOM 0 HD11 ILE A 17 5.233 14.845 6.942 1.00 0.68 H new ATOM 0 HD12 ILE A 17 4.894 13.382 5.987 1.00 0.68 H new ATOM 0 HD13 ILE A 17 6.448 13.549 6.838 1.00 0.68 H new ATOM 292 N LEU A 18 5.059 13.894 1.340 1.00 0.34 N ATOM 293 CA LEU A 18 4.081 14.614 0.526 1.00 0.43 C ATOM 294 C LEU A 18 2.781 13.809 0.452 1.00 0.33 C ATOM 295 O LEU A 18 1.691 14.371 0.351 1.00 0.32 O ATOM 296 CB LEU A 18 4.641 14.968 -0.874 1.00 0.63 C ATOM 297 CG LEU A 18 4.673 13.865 -1.943 1.00 0.76 C ATOM 298 CD1 LEU A 18 3.305 13.676 -2.584 1.00 1.49 C ATOM 299 CD2 LEU A 18 5.701 14.212 -3.011 1.00 1.34 C ATOM 0 H LEU A 18 5.880 13.558 0.837 1.00 0.34 H new ATOM 0 HA LEU A 18 3.862 15.569 1.004 1.00 0.43 H new ATOM 0 HB2 LEU A 18 4.053 15.797 -1.268 1.00 0.63 H new ATOM 0 HB3 LEU A 18 5.659 15.334 -0.743 1.00 0.63 H new ATOM 0 HG LEU A 18 4.951 12.930 -1.457 1.00 0.76 H new ATOM 0 HD11 LEU A 18 3.361 12.889 -3.336 1.00 1.49 H new ATOM 0 HD12 LEU A 18 2.580 13.396 -1.819 1.00 1.49 H new ATOM 0 HD13 LEU A 18 2.993 14.607 -3.056 1.00 1.49 H new ATOM 0 HD21 LEU A 18 5.720 13.427 -3.767 1.00 1.34 H new ATOM 0 HD22 LEU A 18 5.434 15.160 -3.479 1.00 1.34 H new ATOM 0 HD23 LEU A 18 6.686 14.299 -2.553 1.00 1.34 H new ATOM 311 N LEU A 19 2.907 12.481 0.532 1.00 0.31 N ATOM 312 CA LEU A 19 1.742 11.605 0.654 1.00 0.29 C ATOM 313 C LEU A 19 0.994 11.910 1.941 1.00 0.20 C ATOM 314 O LEU A 19 -0.224 11.757 2.015 1.00 0.17 O ATOM 315 CB LEU A 19 2.152 10.128 0.643 1.00 0.37 C ATOM 316 CG LEU A 19 1.996 9.403 -0.700 1.00 0.55 C ATOM 317 CD1 LEU A 19 0.536 9.376 -1.128 1.00 1.32 C ATOM 318 CD2 LEU A 19 2.849 10.053 -1.776 1.00 1.07 C ATOM 0 H LEU A 19 3.802 11.992 0.514 1.00 0.31 H new ATOM 0 HA LEU A 19 1.094 11.791 -0.203 1.00 0.29 H new ATOM 0 HB2 LEU A 19 3.194 10.057 0.954 1.00 0.37 H new ATOM 0 HB3 LEU A 19 1.560 9.600 1.391 1.00 0.37 H new ATOM 0 HG LEU A 19 2.340 8.377 -0.567 1.00 0.55 H new ATOM 0 HD11 LEU A 19 0.446 8.858 -2.083 1.00 1.32 H new ATOM 0 HD12 LEU A 19 -0.054 8.854 -0.375 1.00 1.32 H new ATOM 0 HD13 LEU A 19 0.169 10.397 -1.234 1.00 1.32 H new ATOM 0 HD21 LEU A 19 2.718 9.518 -2.717 1.00 1.07 H new ATOM 0 HD22 LEU A 19 2.544 11.092 -1.904 1.00 1.07 H new ATOM 0 HD23 LEU A 19 3.898 10.016 -1.481 1.00 1.07 H new ATOM 330 N ASN A 20 1.733 12.350 2.953 1.00 0.20 N ATOM 331 CA ASN A 20 1.130 12.751 4.218 1.00 0.18 C ATOM 332 C ASN A 20 0.312 14.011 3.996 1.00 0.19 C ATOM 333 O ASN A 20 -0.855 14.091 4.368 1.00 0.20 O ATOM 334 CB ASN A 20 2.189 13.028 5.294 1.00 0.22 C ATOM 335 CG ASN A 20 2.841 11.780 5.839 1.00 0.21 C ATOM 336 OD1 ASN A 20 3.090 10.808 4.979 1.00 0.28 O flip ATOM 337 ND2 ASN A 20 3.165 11.709 7.024 1.00 0.18 N flip ATOM 0 H ASN A 20 2.749 12.438 2.922 1.00 0.20 H new ATOM 0 HA ASN A 20 0.501 11.932 4.567 1.00 0.18 H new ATOM 0 HB2 ASN A 20 2.959 13.676 4.875 1.00 0.22 H new ATOM 0 HB3 ASN A 20 1.725 13.574 6.116 1.00 0.22 H new ATOM 0 HD21 ASN A 20 2.955 12.481 7.657 1.00 0.18 H new ATOM 0 HD22 ASN A 20 3.643 10.879 7.373 1.00 0.18 H new ATOM 344 N GLU A 21 0.940 14.984 3.358 1.00 0.25 N ATOM 345 CA GLU A 21 0.295 16.250 3.048 1.00 0.30 C ATOM 346 C GLU A 21 -0.942 16.038 2.176 1.00 0.28 C ATOM 347 O GLU A 21 -1.893 16.816 2.224 1.00 0.34 O ATOM 348 CB GLU A 21 1.277 17.174 2.333 1.00 0.38 C ATOM 349 CG GLU A 21 2.544 17.441 3.126 1.00 0.58 C ATOM 350 CD GLU A 21 3.490 18.379 2.407 1.00 1.35 C ATOM 351 OE1 GLU A 21 4.333 17.897 1.624 1.00 2.02 O ATOM 352 OE2 GLU A 21 3.384 19.608 2.608 1.00 1.93 O ATOM 0 H GLU A 21 1.907 14.920 3.041 1.00 0.25 H new ATOM 0 HA GLU A 21 -0.020 16.708 3.985 1.00 0.30 H new ATOM 0 HB2 GLU A 21 1.545 16.733 1.373 1.00 0.38 H new ATOM 0 HB3 GLU A 21 0.783 18.123 2.122 1.00 0.38 H new ATOM 0 HG2 GLU A 21 2.280 17.867 4.094 1.00 0.58 H new ATOM 0 HG3 GLU A 21 3.052 16.497 3.322 1.00 0.58 H new ATOM 359 N VAL A 22 -0.913 14.992 1.369 1.00 0.28 N ATOM 360 CA VAL A 22 -1.997 14.713 0.445 1.00 0.32 C ATOM 361 C VAL A 22 -3.136 13.929 1.115 1.00 0.31 C ATOM 362 O VAL A 22 -4.309 14.232 0.909 1.00 0.47 O ATOM 363 CB VAL A 22 -1.445 13.973 -0.799 1.00 0.43 C ATOM 364 CG1 VAL A 22 -1.806 12.499 -0.842 1.00 0.78 C ATOM 365 CG2 VAL A 22 -1.877 14.677 -2.075 1.00 0.63 C ATOM 0 H VAL A 22 -0.147 14.319 1.335 1.00 0.28 H new ATOM 0 HA VAL A 22 -2.428 15.661 0.124 1.00 0.32 H new ATOM 0 HB VAL A 22 -0.359 14.010 -0.719 1.00 0.43 H new ATOM 0 HG11 VAL A 22 -1.386 12.047 -1.741 1.00 0.78 H new ATOM 0 HG12 VAL A 22 -1.402 12.000 0.038 1.00 0.78 H new ATOM 0 HG13 VAL A 22 -2.890 12.390 -0.855 1.00 0.78 H new ATOM 0 HG21 VAL A 22 -1.480 14.143 -2.938 1.00 0.63 H new ATOM 0 HG22 VAL A 22 -2.965 14.696 -2.130 1.00 0.63 H new ATOM 0 HG23 VAL A 22 -1.496 15.698 -2.074 1.00 0.63 H new ATOM 375 N PHE A 23 -2.789 12.934 1.928 1.00 0.22 N ATOM 376 CA PHE A 23 -3.813 12.092 2.575 1.00 0.20 C ATOM 377 C PHE A 23 -3.819 12.176 4.096 1.00 0.18 C ATOM 378 O PHE A 23 -4.882 12.280 4.681 1.00 0.20 O ATOM 379 CB PHE A 23 -3.645 10.619 2.199 1.00 0.24 C ATOM 380 CG PHE A 23 -4.037 10.264 0.796 1.00 0.27 C ATOM 381 CD1 PHE A 23 -5.289 10.606 0.310 1.00 0.33 C ATOM 382 CD2 PHE A 23 -3.152 9.609 -0.043 1.00 0.42 C ATOM 383 CE1 PHE A 23 -5.649 10.299 -0.985 1.00 0.38 C ATOM 384 CE2 PHE A 23 -3.509 9.297 -1.338 1.00 0.46 C ATOM 385 CZ PHE A 23 -4.766 9.572 -1.788 1.00 0.38 C ATOM 0 H PHE A 23 -1.826 12.687 2.157 1.00 0.22 H new ATOM 0 HA PHE A 23 -4.758 12.490 2.204 1.00 0.20 H new ATOM 0 HB2 PHE A 23 -2.602 10.340 2.348 1.00 0.24 H new ATOM 0 HB3 PHE A 23 -4.238 10.016 2.887 1.00 0.24 H new ATOM 0 HD1 PHE A 23 -5.990 11.118 0.952 1.00 0.33 H new ATOM 0 HD2 PHE A 23 -2.171 9.339 0.320 1.00 0.42 H new ATOM 0 HE1 PHE A 23 -6.604 10.617 -1.375 1.00 0.38 H new ATOM 0 HE2 PHE A 23 -2.790 8.833 -1.998 1.00 0.46 H new ATOM 0 HZ PHE A 23 -5.079 9.229 -2.763 1.00 0.38 H new ATOM 395 N ASN A 24 -2.652 12.134 4.717 1.00 0.17 N ATOM 396 CA ASN A 24 -2.524 11.877 6.164 1.00 0.20 C ATOM 397 C ASN A 24 -3.459 12.716 7.040 1.00 0.23 C ATOM 398 O ASN A 24 -3.857 12.276 8.118 1.00 0.28 O ATOM 399 CB ASN A 24 -1.092 12.127 6.605 1.00 0.20 C ATOM 400 CG ASN A 24 -0.754 11.432 7.911 1.00 0.18 C ATOM 401 OD1 ASN A 24 -0.944 11.976 9.000 1.00 0.19 O ATOM 402 ND2 ASN A 24 -0.211 10.236 7.795 1.00 0.19 N ATOM 0 H ASN A 24 -1.760 12.276 4.243 1.00 0.17 H new ATOM 0 HA ASN A 24 -2.812 10.835 6.303 1.00 0.20 H new ATOM 0 HB2 ASN A 24 -0.411 11.782 5.827 1.00 0.20 H new ATOM 0 HB3 ASN A 24 -0.932 13.199 6.716 1.00 0.20 H new ATOM 0 HD21 ASN A 24 0.071 9.721 8.629 1.00 0.19 H new ATOM 0 HD22 ASN A 24 -0.073 9.826 6.871 1.00 0.19 H new ATOM 409 N LYS A 25 -3.811 13.911 6.603 1.00 0.25 N ATOM 410 CA LYS A 25 -4.688 14.747 7.406 1.00 0.32 C ATOM 411 C LYS A 25 -6.165 14.395 7.204 1.00 0.30 C ATOM 412 O LYS A 25 -6.951 14.435 8.152 1.00 0.38 O ATOM 413 CB LYS A 25 -4.455 16.238 7.131 1.00 0.45 C ATOM 414 CG LYS A 25 -4.501 16.624 5.661 1.00 0.51 C ATOM 415 CD LYS A 25 -3.136 16.505 5.010 1.00 1.10 C ATOM 416 CE LYS A 25 -2.140 17.484 5.614 1.00 1.44 C ATOM 417 NZ LYS A 25 -2.569 18.903 5.458 1.00 1.75 N ATOM 0 H LYS A 25 -3.512 14.319 5.717 1.00 0.25 H new ATOM 0 HA LYS A 25 -4.436 14.546 8.447 1.00 0.32 H new ATOM 0 HB2 LYS A 25 -5.207 16.815 7.669 1.00 0.45 H new ATOM 0 HB3 LYS A 25 -3.484 16.522 7.538 1.00 0.45 H new ATOM 0 HG2 LYS A 25 -5.211 15.984 5.138 1.00 0.51 H new ATOM 0 HG3 LYS A 25 -4.863 17.647 5.564 1.00 0.51 H new ATOM 0 HD2 LYS A 25 -2.764 15.487 5.128 1.00 1.10 H new ATOM 0 HD3 LYS A 25 -3.225 16.690 3.940 1.00 1.10 H new ATOM 0 HE2 LYS A 25 -2.012 17.261 6.673 1.00 1.44 H new ATOM 0 HE3 LYS A 25 -1.168 17.347 5.140 1.00 1.44 H new ATOM 0 HZ1 LYS A 25 -1.767 19.533 5.664 1.00 1.75 H new ATOM 0 HZ2 LYS A 25 -2.893 19.063 4.483 1.00 1.75 H new ATOM 0 HZ3 LYS A 25 -3.347 19.105 6.118 1.00 1.75 H new ATOM 431 N GLU A 26 -6.544 14.041 5.981 1.00 0.29 N ATOM 432 CA GLU A 26 -7.950 13.806 5.670 1.00 0.35 C ATOM 433 C GLU A 26 -8.168 12.535 4.848 1.00 0.33 C ATOM 434 O GLU A 26 -9.066 11.749 5.147 1.00 0.45 O ATOM 435 CB GLU A 26 -8.514 15.005 4.918 1.00 0.43 C ATOM 436 CG GLU A 26 -7.755 15.322 3.642 1.00 0.42 C ATOM 437 CD GLU A 26 -8.339 16.501 2.906 1.00 0.54 C ATOM 438 OE1 GLU A 26 -9.297 16.306 2.128 1.00 0.75 O ATOM 439 OE2 GLU A 26 -7.853 17.631 3.107 1.00 0.61 O ATOM 0 H GLU A 26 -5.906 13.911 5.196 1.00 0.29 H new ATOM 0 HA GLU A 26 -8.472 13.671 6.617 1.00 0.35 H new ATOM 0 HB2 GLU A 26 -9.559 14.814 4.673 1.00 0.43 H new ATOM 0 HB3 GLU A 26 -8.494 15.877 5.571 1.00 0.43 H new ATOM 0 HG2 GLU A 26 -6.712 15.528 3.884 1.00 0.42 H new ATOM 0 HG3 GLU A 26 -7.764 14.449 2.990 1.00 0.42 H new ATOM 446 N GLY A 27 -7.352 12.333 3.816 1.00 0.25 N ATOM 447 CA GLY A 27 -7.561 11.222 2.920 1.00 0.26 C ATOM 448 C GLY A 27 -7.318 9.899 3.598 1.00 0.20 C ATOM 449 O GLY A 27 -8.189 9.030 3.592 1.00 0.22 O ATOM 0 H GLY A 27 -6.551 12.923 3.589 1.00 0.25 H new ATOM 0 HA2 GLY A 27 -8.581 11.252 2.537 1.00 0.26 H new ATOM 0 HA3 GLY A 27 -6.896 11.318 2.062 1.00 0.26 H new ATOM 453 N TYR A 28 -6.137 9.758 4.197 1.00 0.22 N ATOM 454 CA TYR A 28 -5.750 8.532 4.882 1.00 0.17 C ATOM 455 C TYR A 28 -4.743 8.828 5.997 1.00 0.31 C ATOM 456 O TYR A 28 -4.555 9.971 6.373 1.00 0.84 O ATOM 457 CB TYR A 28 -5.183 7.502 3.892 1.00 0.19 C ATOM 458 CG TYR A 28 -6.229 6.911 2.962 1.00 0.26 C ATOM 459 CD1 TYR A 28 -7.076 5.892 3.388 1.00 0.36 C ATOM 460 CD2 TYR A 28 -6.369 7.373 1.657 1.00 0.32 C ATOM 461 CE1 TYR A 28 -8.027 5.352 2.541 1.00 0.47 C ATOM 462 CE2 TYR A 28 -7.317 6.836 0.807 1.00 0.42 C ATOM 463 CZ TYR A 28 -8.153 5.831 1.262 1.00 0.50 C ATOM 464 OH TYR A 28 -9.084 5.289 0.404 1.00 0.62 O ATOM 0 H TYR A 28 -5.426 10.489 4.220 1.00 0.22 H new ATOM 0 HA TYR A 28 -6.644 8.104 5.336 1.00 0.17 H new ATOM 0 HB2 TYR A 28 -4.404 7.976 3.295 1.00 0.19 H new ATOM 0 HB3 TYR A 28 -4.709 6.695 4.452 1.00 0.19 H new ATOM 0 HD1 TYR A 28 -6.989 5.517 4.397 1.00 0.36 H new ATOM 0 HD2 TYR A 28 -5.726 8.165 1.302 1.00 0.32 H new ATOM 0 HE1 TYR A 28 -8.669 4.555 2.886 1.00 0.47 H new ATOM 0 HE2 TYR A 28 -7.405 7.198 -0.207 1.00 0.42 H new ATOM 0 HH TYR A 28 -9.038 5.748 -0.461 1.00 0.62 H new ATOM 474 N GLN A 29 -4.115 7.786 6.520 1.00 0.20 N ATOM 475 CA GLN A 29 -3.115 7.908 7.589 1.00 0.15 C ATOM 476 C GLN A 29 -1.777 7.582 6.996 1.00 0.17 C ATOM 477 O GLN A 29 -1.012 6.794 7.542 1.00 0.34 O ATOM 478 CB GLN A 29 -3.402 6.927 8.727 1.00 0.19 C ATOM 479 CG GLN A 29 -2.784 7.296 10.077 1.00 0.28 C ATOM 480 CD GLN A 29 -2.138 8.655 10.102 1.00 0.74 C ATOM 481 OE1 GLN A 29 -0.843 8.685 9.883 1.00 1.50 O flip ATOM 482 NE2 GLN A 29 -2.789 9.665 10.358 1.00 0.53 N flip ATOM 0 H GLN A 29 -4.280 6.825 6.219 1.00 0.20 H new ATOM 0 HA GLN A 29 -3.141 8.919 7.996 1.00 0.15 H new ATOM 0 HB2 GLN A 29 -4.482 6.844 8.850 1.00 0.19 H new ATOM 0 HB3 GLN A 29 -3.038 5.942 8.436 1.00 0.19 H new ATOM 0 HG2 GLN A 29 -3.559 7.259 10.842 1.00 0.28 H new ATOM 0 HG3 GLN A 29 -2.039 6.546 10.341 1.00 0.28 H new ATOM 0 HE21 GLN A 29 -3.793 9.596 10.521 1.00 0.53 H new ATOM 0 HE22 GLN A 29 -2.325 10.572 10.407 1.00 0.53 H new ATOM 491 N THR A 30 -1.507 8.209 5.885 1.00 0.12 N ATOM 492 CA THR A 30 -0.396 7.832 5.063 1.00 0.13 C ATOM 493 C THR A 30 0.899 8.182 5.745 1.00 0.13 C ATOM 494 O THR A 30 1.214 9.343 5.890 1.00 0.17 O ATOM 495 CB THR A 30 -0.486 8.548 3.719 1.00 0.14 C ATOM 496 OG1 THR A 30 -0.647 9.956 3.925 1.00 0.18 O ATOM 497 CG2 THR A 30 -1.654 8.034 2.911 1.00 0.16 C ATOM 0 H THR A 30 -2.051 8.994 5.526 1.00 0.12 H new ATOM 0 HA THR A 30 -0.425 6.755 4.900 1.00 0.13 H new ATOM 0 HB THR A 30 0.437 8.354 3.172 1.00 0.14 H new ATOM 0 HG1 THR A 30 -0.661 10.414 3.059 1.00 0.18 H new ATOM 0 HG21 THR A 30 -1.696 8.560 1.957 1.00 0.16 H new ATOM 0 HG22 THR A 30 -1.530 6.966 2.731 1.00 0.16 H new ATOM 0 HG23 THR A 30 -2.580 8.204 3.461 1.00 0.16 H new ATOM 505 N PHE A 31 1.648 7.197 6.181 1.00 0.13 N ATOM 506 CA PHE A 31 2.875 7.499 6.882 1.00 0.14 C ATOM 507 C PHE A 31 4.074 7.081 6.037 1.00 0.13 C ATOM 508 O PHE A 31 3.917 6.460 4.988 1.00 0.14 O ATOM 509 CB PHE A 31 2.914 6.811 8.247 1.00 0.17 C ATOM 510 CG PHE A 31 3.628 7.630 9.286 1.00 0.24 C ATOM 511 CD1 PHE A 31 3.000 8.714 9.877 1.00 0.37 C ATOM 512 CD2 PHE A 31 4.929 7.328 9.659 1.00 0.29 C ATOM 513 CE1 PHE A 31 3.655 9.481 10.821 1.00 0.45 C ATOM 514 CE2 PHE A 31 5.586 8.089 10.605 1.00 0.36 C ATOM 515 CZ PHE A 31 4.950 9.168 11.187 1.00 0.42 C ATOM 0 H PHE A 31 1.439 6.205 6.068 1.00 0.13 H new ATOM 0 HA PHE A 31 2.918 8.575 7.051 1.00 0.14 H new ATOM 0 HB2 PHE A 31 1.895 6.616 8.581 1.00 0.17 H new ATOM 0 HB3 PHE A 31 3.408 5.844 8.149 1.00 0.17 H new ATOM 0 HD1 PHE A 31 1.987 8.962 9.597 1.00 0.37 H new ATOM 0 HD2 PHE A 31 5.434 6.488 9.204 1.00 0.29 H new ATOM 0 HE1 PHE A 31 3.155 10.325 11.273 1.00 0.45 H new ATOM 0 HE2 PHE A 31 6.598 7.841 10.890 1.00 0.36 H new ATOM 0 HZ PHE A 31 5.463 9.765 11.926 1.00 0.42 H new ATOM 525 N GLN A 32 5.268 7.415 6.494 1.00 0.14 N ATOM 526 CA GLN A 32 6.477 7.169 5.726 1.00 0.16 C ATOM 527 C GLN A 32 7.297 6.063 6.370 1.00 0.17 C ATOM 528 O GLN A 32 7.387 5.982 7.593 1.00 0.20 O ATOM 529 CB GLN A 32 7.314 8.452 5.618 1.00 0.21 C ATOM 530 CG GLN A 32 7.580 9.142 6.953 1.00 0.76 C ATOM 531 CD GLN A 32 6.649 10.314 7.221 1.00 0.33 C ATOM 532 OE1 GLN A 32 5.462 10.279 6.636 1.00 0.51 O flip ATOM 533 NE2 GLN A 32 7.003 11.253 7.934 1.00 0.52 N flip ATOM 0 H GLN A 32 5.427 7.860 7.398 1.00 0.14 H new ATOM 0 HA GLN A 32 6.190 6.854 4.723 1.00 0.16 H new ATOM 0 HB2 GLN A 32 8.269 8.211 5.150 1.00 0.21 H new ATOM 0 HB3 GLN A 32 6.802 9.151 4.956 1.00 0.21 H new ATOM 0 HG2 GLN A 32 7.477 8.414 7.757 1.00 0.76 H new ATOM 0 HG3 GLN A 32 8.611 9.494 6.973 1.00 0.76 H new ATOM 0 HE21 GLN A 32 7.926 11.244 8.368 1.00 0.52 H new ATOM 0 HE22 GLN A 32 6.373 12.040 8.091 1.00 0.52 H new ATOM 542 N ALA A 33 7.869 5.195 5.547 1.00 0.18 N ATOM 543 CA ALA A 33 8.691 4.112 6.054 1.00 0.19 C ATOM 544 C ALA A 33 9.970 3.928 5.247 1.00 0.18 C ATOM 545 O ALA A 33 9.963 3.945 4.008 1.00 0.20 O ATOM 546 CB ALA A 33 7.901 2.815 6.090 1.00 0.20 C ATOM 0 H ALA A 33 7.778 5.221 4.531 1.00 0.18 H new ATOM 0 HA ALA A 33 8.984 4.383 7.068 1.00 0.19 H new ATOM 0 HB1 ALA A 33 8.534 2.014 6.473 1.00 0.20 H new ATOM 0 HB2 ALA A 33 7.034 2.935 6.740 1.00 0.20 H new ATOM 0 HB3 ALA A 33 7.568 2.564 5.083 1.00 0.20 H new ATOM 552 N ALA A 34 11.072 3.782 5.983 1.00 0.18 N ATOM 553 CA ALA A 34 12.360 3.434 5.411 1.00 0.20 C ATOM 554 C ALA A 34 12.594 1.931 5.503 1.00 0.17 C ATOM 555 O ALA A 34 13.496 1.395 4.877 1.00 0.21 O ATOM 556 CB ALA A 34 13.470 4.186 6.124 1.00 0.27 C ATOM 0 H ALA A 34 11.090 3.904 6.996 1.00 0.18 H new ATOM 0 HA ALA A 34 12.363 3.720 4.359 1.00 0.20 H new ATOM 0 HB1 ALA A 34 14.431 3.917 5.686 1.00 0.27 H new ATOM 0 HB2 ALA A 34 13.310 5.259 6.017 1.00 0.27 H new ATOM 0 HB3 ALA A 34 13.467 3.923 7.182 1.00 0.27 H new ATOM 562 N ASN A 35 11.794 1.252 6.313 1.00 0.16 N ATOM 563 CA ASN A 35 11.829 -0.203 6.350 1.00 0.20 C ATOM 564 C ASN A 35 10.424 -0.730 6.524 1.00 0.21 C ATOM 565 O ASN A 35 9.568 -0.045 7.082 1.00 0.18 O ATOM 566 CB ASN A 35 12.704 -0.751 7.492 1.00 0.25 C ATOM 567 CG ASN A 35 13.577 0.292 8.166 1.00 0.27 C ATOM 568 OD1 ASN A 35 13.104 0.832 9.280 1.00 0.39 O flip ATOM 569 ND2 ASN A 35 14.678 0.582 7.712 1.00 0.22 N flip ATOM 0 H ASN A 35 11.119 1.680 6.947 1.00 0.16 H new ATOM 0 HA ASN A 35 12.266 -0.536 5.409 1.00 0.20 H new ATOM 0 HB2 ASN A 35 12.058 -1.207 8.242 1.00 0.25 H new ATOM 0 HB3 ASN A 35 13.342 -1.542 7.098 1.00 0.25 H new ATOM 0 HD21 ASN A 35 15.006 0.144 6.851 1.00 0.22 H new ATOM 0 HD22 ASN A 35 15.266 1.261 8.195 1.00 0.22 H new ATOM 576 N GLY A 36 10.183 -1.943 6.051 1.00 0.29 N ATOM 577 CA GLY A 36 8.901 -2.580 6.276 1.00 0.33 C ATOM 578 C GLY A 36 8.642 -2.799 7.750 1.00 0.30 C ATOM 579 O GLY A 36 7.501 -2.843 8.191 1.00 0.30 O ATOM 0 H GLY A 36 10.851 -2.498 5.516 1.00 0.29 H new ATOM 0 HA2 GLY A 36 8.108 -1.963 5.854 1.00 0.33 H new ATOM 0 HA3 GLY A 36 8.872 -3.537 5.754 1.00 0.33 H new ATOM 583 N LEU A 37 9.715 -2.916 8.518 1.00 0.31 N ATOM 584 CA LEU A 37 9.605 -3.084 9.957 1.00 0.31 C ATOM 585 C LEU A 37 9.217 -1.762 10.573 1.00 0.24 C ATOM 586 O LEU A 37 8.458 -1.708 11.534 1.00 0.25 O ATOM 587 CB LEU A 37 10.921 -3.676 10.499 1.00 0.40 C ATOM 588 CG LEU A 37 12.045 -2.733 10.952 1.00 0.76 C ATOM 589 CD1 LEU A 37 11.644 -1.955 12.190 1.00 1.52 C ATOM 590 CD2 LEU A 37 13.298 -3.536 11.255 1.00 1.36 C ATOM 0 H LEU A 37 10.673 -2.897 8.167 1.00 0.31 H new ATOM 0 HA LEU A 37 8.821 -3.792 10.226 1.00 0.31 H new ATOM 0 HB2 LEU A 37 10.668 -4.313 11.347 1.00 0.40 H new ATOM 0 HB3 LEU A 37 11.331 -4.324 9.724 1.00 0.40 H new ATOM 0 HG LEU A 37 12.237 -2.027 10.144 1.00 0.76 H new ATOM 0 HD11 LEU A 37 12.460 -1.296 12.486 1.00 1.52 H new ATOM 0 HD12 LEU A 37 10.757 -1.359 11.974 1.00 1.52 H new ATOM 0 HD13 LEU A 37 11.426 -2.649 13.001 1.00 1.52 H new ATOM 0 HD21 LEU A 37 14.093 -2.863 11.576 1.00 1.36 H new ATOM 0 HD22 LEU A 37 13.088 -4.253 12.048 1.00 1.36 H new ATOM 0 HD23 LEU A 37 13.614 -4.069 10.358 1.00 1.36 H new ATOM 602 N GLN A 38 9.733 -0.701 9.988 1.00 0.20 N ATOM 603 CA GLN A 38 9.311 0.647 10.356 1.00 0.16 C ATOM 604 C GLN A 38 7.816 0.783 10.077 1.00 0.16 C ATOM 605 O GLN A 38 7.057 1.348 10.865 1.00 0.17 O ATOM 606 CB GLN A 38 10.101 1.695 9.563 1.00 0.15 C ATOM 607 CG GLN A 38 10.118 3.087 10.191 1.00 0.19 C ATOM 608 CD GLN A 38 8.771 3.793 10.189 1.00 0.23 C ATOM 609 OE1 GLN A 38 7.983 3.591 9.144 1.00 0.50 O flip ATOM 610 NE2 GLN A 38 8.458 4.546 11.109 1.00 0.17 N flip ATOM 0 H GLN A 38 10.444 -0.739 9.257 1.00 0.20 H new ATOM 0 HA GLN A 38 9.506 0.815 11.415 1.00 0.16 H new ATOM 0 HB2 GLN A 38 11.128 1.349 9.451 1.00 0.15 H new ATOM 0 HB3 GLN A 38 9.678 1.768 8.561 1.00 0.15 H new ATOM 0 HG2 GLN A 38 10.470 3.004 11.219 1.00 0.19 H new ATOM 0 HG3 GLN A 38 10.839 3.705 9.656 1.00 0.19 H new ATOM 0 HE21 GLN A 38 9.091 4.677 11.898 1.00 0.17 H new ATOM 0 HE22 GLN A 38 7.566 5.040 11.083 1.00 0.17 H new ATOM 619 N ALA A 39 7.405 0.249 8.938 1.00 0.18 N ATOM 620 CA ALA A 39 6.006 0.244 8.563 1.00 0.22 C ATOM 621 C ALA A 39 5.193 -0.542 9.577 1.00 0.27 C ATOM 622 O ALA A 39 4.098 -0.135 9.944 1.00 0.32 O ATOM 623 CB ALA A 39 5.841 -0.335 7.170 1.00 0.25 C ATOM 0 H ALA A 39 8.026 -0.188 8.257 1.00 0.18 H new ATOM 0 HA ALA A 39 5.637 1.270 8.553 1.00 0.22 H new ATOM 0 HB1 ALA A 39 4.785 -0.334 6.898 1.00 0.25 H new ATOM 0 HB2 ALA A 39 6.400 0.270 6.456 1.00 0.25 H new ATOM 0 HB3 ALA A 39 6.219 -1.357 7.154 1.00 0.25 H new ATOM 629 N LEU A 40 5.761 -1.646 10.053 1.00 0.29 N ATOM 630 CA LEU A 40 5.108 -2.492 11.046 1.00 0.33 C ATOM 631 C LEU A 40 5.005 -1.754 12.373 1.00 0.29 C ATOM 632 O LEU A 40 4.034 -1.923 13.114 1.00 0.30 O ATOM 633 CB LEU A 40 5.882 -3.801 11.218 1.00 0.39 C ATOM 634 CG LEU A 40 5.296 -4.784 12.234 1.00 0.47 C ATOM 635 CD1 LEU A 40 3.918 -5.254 11.791 1.00 1.47 C ATOM 636 CD2 LEU A 40 6.227 -5.971 12.425 1.00 1.42 C ATOM 0 H LEU A 40 6.681 -1.978 9.763 1.00 0.29 H new ATOM 0 HA LEU A 40 4.102 -2.730 10.701 1.00 0.33 H new ATOM 0 HB2 LEU A 40 5.941 -4.298 10.250 1.00 0.39 H new ATOM 0 HB3 LEU A 40 6.903 -3.563 11.516 1.00 0.39 H new ATOM 0 HG LEU A 40 5.193 -4.269 13.189 1.00 0.47 H new ATOM 0 HD11 LEU A 40 3.518 -5.952 12.526 1.00 1.47 H new ATOM 0 HD12 LEU A 40 3.251 -4.396 11.705 1.00 1.47 H new ATOM 0 HD13 LEU A 40 3.997 -5.751 10.824 1.00 1.47 H new ATOM 0 HD21 LEU A 40 5.794 -6.660 13.151 1.00 1.42 H new ATOM 0 HD22 LEU A 40 6.362 -6.485 11.473 1.00 1.42 H new ATOM 0 HD23 LEU A 40 7.193 -5.621 12.788 1.00 1.42 H new ATOM 648 N ASP A 41 6.011 -0.933 12.661 1.00 0.27 N ATOM 649 CA ASP A 41 5.958 -0.018 13.790 1.00 0.27 C ATOM 650 C ASP A 41 4.692 0.807 13.704 1.00 0.26 C ATOM 651 O ASP A 41 3.898 0.858 14.636 1.00 0.32 O ATOM 652 CB ASP A 41 7.167 0.918 13.792 1.00 0.27 C ATOM 653 CG ASP A 41 8.320 0.411 14.626 1.00 0.55 C ATOM 654 OD1 ASP A 41 8.148 0.252 15.853 1.00 0.86 O ATOM 655 OD2 ASP A 41 9.388 0.116 14.053 1.00 1.31 O ATOM 0 H ASP A 41 6.876 -0.885 12.123 1.00 0.27 H new ATOM 0 HA ASP A 41 5.968 -0.602 14.710 1.00 0.27 H new ATOM 0 HB2 ASP A 41 7.507 1.062 12.766 1.00 0.27 H new ATOM 0 HB3 ASP A 41 6.860 1.895 14.166 1.00 0.27 H new ATOM 660 N ILE A 42 4.489 1.435 12.560 1.00 0.22 N ATOM 661 CA ILE A 42 3.287 2.223 12.354 1.00 0.23 C ATOM 662 C ILE A 42 2.051 1.328 12.342 1.00 0.24 C ATOM 663 O ILE A 42 0.999 1.719 12.818 1.00 0.26 O ATOM 664 CB ILE A 42 3.319 3.040 11.052 1.00 0.22 C ATOM 665 CG1 ILE A 42 4.561 3.942 10.981 1.00 0.20 C ATOM 666 CG2 ILE A 42 2.043 3.861 10.958 1.00 0.28 C ATOM 667 CD1 ILE A 42 4.725 4.861 12.175 1.00 0.22 C ATOM 0 H ILE A 42 5.132 1.416 11.768 1.00 0.22 H new ATOM 0 HA ILE A 42 3.242 2.923 13.188 1.00 0.23 H new ATOM 0 HB ILE A 42 3.379 2.357 10.205 1.00 0.22 H new ATOM 0 HG12 ILE A 42 5.448 3.315 10.894 1.00 0.20 H new ATOM 0 HG13 ILE A 42 4.507 4.546 10.075 1.00 0.20 H new ATOM 0 HG21 ILE A 42 2.053 4.446 10.038 1.00 0.28 H new ATOM 0 HG22 ILE A 42 1.181 3.194 10.955 1.00 0.28 H new ATOM 0 HG23 ILE A 42 1.979 4.533 11.814 1.00 0.28 H new ATOM 0 HD11 ILE A 42 5.624 5.464 12.049 1.00 0.22 H new ATOM 0 HD12 ILE A 42 3.857 5.515 12.252 1.00 0.22 H new ATOM 0 HD13 ILE A 42 4.812 4.265 13.084 1.00 0.22 H new ATOM 679 N VAL A 43 2.181 0.121 11.818 1.00 0.25 N ATOM 680 CA VAL A 43 1.058 -0.808 11.776 1.00 0.29 C ATOM 681 C VAL A 43 0.579 -1.154 13.183 1.00 0.36 C ATOM 682 O VAL A 43 -0.598 -1.425 13.393 1.00 0.44 O ATOM 683 CB VAL A 43 1.407 -2.095 10.995 1.00 0.36 C ATOM 684 CG1 VAL A 43 0.305 -3.139 11.120 1.00 0.86 C ATOM 685 CG2 VAL A 43 1.650 -1.764 9.533 1.00 0.82 C ATOM 0 H VAL A 43 3.047 -0.240 11.417 1.00 0.25 H new ATOM 0 HA VAL A 43 0.248 -0.306 11.247 1.00 0.29 H new ATOM 0 HB VAL A 43 2.315 -2.515 11.427 1.00 0.36 H new ATOM 0 HG11 VAL A 43 0.583 -4.031 10.559 1.00 0.86 H new ATOM 0 HG12 VAL A 43 0.167 -3.399 12.170 1.00 0.86 H new ATOM 0 HG13 VAL A 43 -0.626 -2.735 10.721 1.00 0.86 H new ATOM 0 HG21 VAL A 43 1.895 -2.676 8.989 1.00 0.82 H new ATOM 0 HG22 VAL A 43 0.751 -1.318 9.107 1.00 0.82 H new ATOM 0 HG23 VAL A 43 2.478 -1.060 9.452 1.00 0.82 H new ATOM 695 N THR A 44 1.480 -1.122 14.151 1.00 0.36 N ATOM 696 CA THR A 44 1.085 -1.369 15.529 1.00 0.43 C ATOM 697 C THR A 44 0.759 -0.048 16.233 1.00 0.44 C ATOM 698 O THR A 44 0.043 -0.024 17.236 1.00 0.52 O ATOM 699 CB THR A 44 2.166 -2.163 16.314 1.00 0.45 C ATOM 700 OG1 THR A 44 1.639 -2.591 17.574 1.00 0.54 O ATOM 701 CG2 THR A 44 3.421 -1.336 16.554 1.00 0.42 C ATOM 0 H THR A 44 2.473 -0.931 14.014 1.00 0.36 H new ATOM 0 HA THR A 44 0.188 -1.988 15.508 1.00 0.43 H new ATOM 0 HB THR A 44 2.439 -3.025 15.706 1.00 0.45 H new ATOM 0 HG1 THR A 44 2.325 -3.092 18.062 1.00 0.54 H new ATOM 0 HG21 THR A 44 4.149 -1.931 17.106 1.00 0.42 H new ATOM 0 HG22 THR A 44 3.848 -1.037 15.597 1.00 0.42 H new ATOM 0 HG23 THR A 44 3.166 -0.447 17.132 1.00 0.42 H new ATOM 709 N LYS A 45 1.258 1.053 15.673 1.00 0.39 N ATOM 710 CA LYS A 45 1.063 2.376 16.260 1.00 0.41 C ATOM 711 C LYS A 45 -0.180 3.084 15.721 1.00 0.40 C ATOM 712 O LYS A 45 -1.116 3.363 16.468 1.00 0.45 O ATOM 713 CB LYS A 45 2.295 3.231 15.966 1.00 0.40 C ATOM 714 CG LYS A 45 3.483 2.941 16.871 1.00 0.47 C ATOM 715 CD LYS A 45 4.777 3.504 16.297 1.00 0.56 C ATOM 716 CE LYS A 45 4.685 4.999 16.050 1.00 1.19 C ATOM 717 NZ LYS A 45 5.952 5.551 15.502 1.00 2.01 N ATOM 0 H LYS A 45 1.802 1.054 14.810 1.00 0.39 H new ATOM 0 HA LYS A 45 0.920 2.244 17.332 1.00 0.41 H new ATOM 0 HB2 LYS A 45 2.594 3.073 14.930 1.00 0.40 H new ATOM 0 HB3 LYS A 45 2.026 4.283 16.064 1.00 0.40 H new ATOM 0 HG2 LYS A 45 3.304 3.371 17.856 1.00 0.47 H new ATOM 0 HG3 LYS A 45 3.583 1.864 17.007 1.00 0.47 H new ATOM 0 HD2 LYS A 45 5.598 3.300 16.984 1.00 0.56 H new ATOM 0 HD3 LYS A 45 5.010 2.995 15.362 1.00 0.56 H new ATOM 0 HE2 LYS A 45 3.870 5.202 15.355 1.00 1.19 H new ATOM 0 HE3 LYS A 45 4.442 5.507 16.983 1.00 1.19 H new ATOM 0 HZ1 LYS A 45 5.847 6.574 15.348 1.00 2.01 H new ATOM 0 HZ2 LYS A 45 6.725 5.380 16.176 1.00 2.01 H new ATOM 0 HZ3 LYS A 45 6.171 5.085 14.598 1.00 2.01 H new ATOM 731 N GLU A 46 -0.187 3.367 14.427 1.00 0.35 N ATOM 732 CA GLU A 46 -1.305 4.048 13.796 1.00 0.37 C ATOM 733 C GLU A 46 -2.271 3.032 13.219 1.00 0.37 C ATOM 734 O GLU A 46 -3.467 3.294 13.091 1.00 0.41 O ATOM 735 CB GLU A 46 -0.781 4.969 12.702 1.00 0.36 C ATOM 736 CG GLU A 46 0.244 5.948 13.231 1.00 0.39 C ATOM 737 CD GLU A 46 0.856 6.832 12.173 1.00 1.36 C ATOM 738 OE1 GLU A 46 0.556 6.646 10.979 1.00 2.00 O ATOM 739 OE2 GLU A 46 1.645 7.727 12.547 1.00 2.01 O ATOM 0 H GLU A 46 0.575 3.133 13.791 1.00 0.35 H new ATOM 0 HA GLU A 46 -1.836 4.644 14.538 1.00 0.37 H new ATOM 0 HB2 GLU A 46 -0.335 4.371 11.907 1.00 0.36 H new ATOM 0 HB3 GLU A 46 -1.613 5.518 12.260 1.00 0.36 H new ATOM 0 HG2 GLU A 46 -0.226 6.577 13.987 1.00 0.39 H new ATOM 0 HG3 GLU A 46 1.039 5.392 13.729 1.00 0.39 H new ATOM 746 N ARG A 47 -1.725 1.871 12.884 1.00 0.35 N ATOM 747 CA ARG A 47 -2.496 0.762 12.353 1.00 0.35 C ATOM 748 C ARG A 47 -3.171 1.139 11.034 1.00 0.26 C ATOM 749 O ARG A 47 -4.395 1.257 10.974 1.00 0.31 O ATOM 750 CB ARG A 47 -3.539 0.300 13.373 1.00 0.48 C ATOM 751 CG ARG A 47 -3.578 -1.198 13.570 1.00 0.73 C ATOM 752 CD ARG A 47 -3.759 -1.894 12.243 1.00 1.59 C ATOM 753 NE ARG A 47 -4.306 -3.240 12.371 1.00 2.33 N ATOM 754 CZ ARG A 47 -4.835 -3.921 11.356 1.00 3.40 C ATOM 755 NH1 ARG A 47 -4.875 -3.391 10.135 1.00 3.94 N ATOM 756 NH2 ARG A 47 -5.329 -5.131 11.559 1.00 4.15 N ATOM 0 H ARG A 47 -0.728 1.674 12.975 1.00 0.35 H new ATOM 0 HA ARG A 47 -1.809 -0.061 12.156 1.00 0.35 H new ATOM 0 HB2 ARG A 47 -3.333 0.778 14.331 1.00 0.48 H new ATOM 0 HB3 ARG A 47 -4.523 0.641 13.052 1.00 0.48 H new ATOM 0 HG2 ARG A 47 -2.655 -1.534 14.042 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -4.394 -1.463 14.242 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -4.421 -1.298 11.615 1.00 1.59 H new ATOM 0 HD3 ARG A 47 -2.797 -1.947 11.733 1.00 1.59 H new ATOM 0 HE ARG A 47 -4.282 -3.684 13.289 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -4.499 -2.457 9.972 1.00 3.94 H new ATOM 0 HH12 ARG A 47 -5.282 -3.919 9.363 1.00 3.94 H new ATOM 0 HH21 ARG A 47 -5.305 -5.542 12.492 1.00 4.15 H new ATOM 0 HH22 ARG A 47 -5.734 -5.653 10.782 1.00 4.15 H new ATOM 770 N PRO A 48 -2.388 1.358 9.964 1.00 0.19 N ATOM 771 CA PRO A 48 -2.941 1.650 8.646 1.00 0.17 C ATOM 772 C PRO A 48 -3.640 0.439 8.023 1.00 0.22 C ATOM 773 O PRO A 48 -3.412 -0.702 8.434 1.00 0.33 O ATOM 774 CB PRO A 48 -1.734 2.064 7.805 1.00 0.19 C ATOM 775 CG PRO A 48 -0.613 2.254 8.769 1.00 0.22 C ATOM 776 CD PRO A 48 -0.919 1.373 9.944 1.00 0.22 C ATOM 0 HA PRO A 48 -3.706 2.424 8.704 1.00 0.17 H new ATOM 0 HB2 PRO A 48 -1.490 1.299 7.068 1.00 0.19 H new ATOM 0 HB3 PRO A 48 -1.937 2.983 7.255 1.00 0.19 H new ATOM 0 HG2 PRO A 48 0.340 1.982 8.316 1.00 0.22 H new ATOM 0 HG3 PRO A 48 -0.535 3.297 9.074 1.00 0.22 H new ATOM 0 HD2 PRO A 48 -0.506 0.372 9.818 1.00 0.22 H new ATOM 0 HD3 PRO A 48 -0.506 1.774 10.869 1.00 0.22 H new ATOM 784 N ASP A 49 -4.494 0.697 7.035 1.00 0.23 N ATOM 785 CA ASP A 49 -5.228 -0.369 6.357 1.00 0.29 C ATOM 786 C ASP A 49 -4.646 -0.638 4.979 1.00 0.25 C ATOM 787 O ASP A 49 -4.782 -1.738 4.445 1.00 0.31 O ATOM 788 CB ASP A 49 -6.717 -0.027 6.235 1.00 0.37 C ATOM 789 CG ASP A 49 -7.479 -0.247 7.524 1.00 1.20 C ATOM 790 OD1 ASP A 49 -7.561 0.695 8.342 1.00 2.12 O ATOM 791 OD2 ASP A 49 -7.980 -1.369 7.743 1.00 1.40 O ATOM 0 H ASP A 49 -4.695 1.634 6.686 1.00 0.23 H new ATOM 0 HA ASP A 49 -5.128 -1.269 6.963 1.00 0.29 H new ATOM 0 HB2 ASP A 49 -6.822 1.014 5.930 1.00 0.37 H new ATOM 0 HB3 ASP A 49 -7.161 -0.636 5.448 1.00 0.37 H new ATOM 796 N LEU A 50 -4.009 0.369 4.396 1.00 0.21 N ATOM 797 CA LEU A 50 -3.317 0.186 3.127 1.00 0.22 C ATOM 798 C LEU A 50 -1.831 0.232 3.386 1.00 0.19 C ATOM 799 O LEU A 50 -1.370 1.045 4.181 1.00 0.20 O ATOM 800 CB LEU A 50 -3.661 1.277 2.102 1.00 0.28 C ATOM 801 CG LEU A 50 -5.021 1.211 1.384 1.00 0.46 C ATOM 802 CD1 LEU A 50 -4.990 0.168 0.282 1.00 1.39 C ATOM 803 CD2 LEU A 50 -6.166 0.936 2.348 1.00 1.21 C ATOM 0 H LEU A 50 -3.957 1.314 4.778 1.00 0.21 H new ATOM 0 HA LEU A 50 -3.633 -0.771 2.712 1.00 0.22 H new ATOM 0 HB2 LEU A 50 -3.601 2.239 2.610 1.00 0.28 H new ATOM 0 HB3 LEU A 50 -2.883 1.271 1.339 1.00 0.28 H new ATOM 0 HG LEU A 50 -5.201 2.190 0.940 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -5.960 0.135 -0.215 1.00 1.39 H new ATOM 0 HD12 LEU A 50 -4.219 0.428 -0.443 1.00 1.39 H new ATOM 0 HD13 LEU A 50 -4.769 -0.809 0.712 1.00 1.39 H new ATOM 0 HD21 LEU A 50 -7.105 0.898 1.796 1.00 1.21 H new ATOM 0 HD22 LEU A 50 -6.000 -0.019 2.847 1.00 1.21 H new ATOM 0 HD23 LEU A 50 -6.214 1.731 3.092 1.00 1.21 H new ATOM 815 N VAL A 51 -1.076 -0.635 2.745 1.00 0.22 N ATOM 816 CA VAL A 51 0.366 -0.595 2.903 1.00 0.23 C ATOM 817 C VAL A 51 1.068 -0.506 1.564 1.00 0.27 C ATOM 818 O VAL A 51 1.139 -1.477 0.829 1.00 0.48 O ATOM 819 CB VAL A 51 0.908 -1.840 3.624 1.00 0.31 C ATOM 820 CG1 VAL A 51 2.387 -1.670 3.953 1.00 0.34 C ATOM 821 CG2 VAL A 51 0.107 -2.142 4.881 1.00 0.40 C ATOM 0 H VAL A 51 -1.425 -1.363 2.121 1.00 0.22 H new ATOM 0 HA VAL A 51 0.569 0.293 3.501 1.00 0.23 H new ATOM 0 HB VAL A 51 0.801 -2.690 2.950 1.00 0.31 H new ATOM 0 HG11 VAL A 51 2.751 -2.562 4.463 1.00 0.34 H new ATOM 0 HG12 VAL A 51 2.950 -1.523 3.031 1.00 0.34 H new ATOM 0 HG13 VAL A 51 2.518 -0.803 4.600 1.00 0.34 H new ATOM 0 HG21 VAL A 51 0.515 -3.028 5.368 1.00 0.40 H new ATOM 0 HG22 VAL A 51 0.166 -1.293 5.563 1.00 0.40 H new ATOM 0 HG23 VAL A 51 -0.935 -2.322 4.614 1.00 0.40 H new ATOM 831 N LEU A 52 1.596 0.655 1.275 1.00 0.23 N ATOM 832 CA LEU A 52 2.509 0.844 0.165 1.00 0.26 C ATOM 833 C LEU A 52 3.858 0.289 0.559 1.00 0.23 C ATOM 834 O LEU A 52 4.467 0.781 1.497 1.00 0.26 O ATOM 835 CB LEU A 52 2.662 2.339 -0.162 1.00 0.30 C ATOM 836 CG LEU A 52 1.680 2.904 -1.173 1.00 0.45 C ATOM 837 CD1 LEU A 52 0.304 3.080 -0.561 1.00 1.08 C ATOM 838 CD2 LEU A 52 2.189 4.217 -1.747 1.00 1.37 C ATOM 0 H LEU A 52 1.406 1.506 1.804 1.00 0.23 H new ATOM 0 HA LEU A 52 2.118 0.332 -0.714 1.00 0.26 H new ATOM 0 HB2 LEU A 52 2.565 2.905 0.765 1.00 0.30 H new ATOM 0 HB3 LEU A 52 3.673 2.508 -0.534 1.00 0.30 H new ATOM 0 HG LEU A 52 1.593 2.187 -1.990 1.00 0.45 H new ATOM 0 HD11 LEU A 52 -0.377 3.486 -1.309 1.00 1.08 H new ATOM 0 HD12 LEU A 52 -0.068 2.115 -0.218 1.00 1.08 H new ATOM 0 HD13 LEU A 52 0.367 3.766 0.284 1.00 1.08 H new ATOM 0 HD21 LEU A 52 1.469 4.602 -2.469 1.00 1.37 H new ATOM 0 HD22 LEU A 52 2.318 4.940 -0.942 1.00 1.37 H new ATOM 0 HD23 LEU A 52 3.146 4.051 -2.243 1.00 1.37 H new ATOM 850 N LEU A 53 4.332 -0.734 -0.121 1.00 0.22 N ATOM 851 CA LEU A 53 5.580 -1.347 0.297 1.00 0.22 C ATOM 852 C LEU A 53 6.524 -1.594 -0.877 1.00 0.19 C ATOM 853 O LEU A 53 6.116 -2.098 -1.933 1.00 0.20 O ATOM 854 CB LEU A 53 5.266 -2.638 1.065 1.00 0.31 C ATOM 855 CG LEU A 53 6.443 -3.351 1.742 1.00 0.49 C ATOM 856 CD1 LEU A 53 7.458 -2.362 2.284 1.00 1.20 C ATOM 857 CD2 LEU A 53 5.926 -4.211 2.881 1.00 0.96 C ATOM 0 H LEU A 53 3.890 -1.150 -0.941 1.00 0.22 H new ATOM 0 HA LEU A 53 6.108 -0.659 0.957 1.00 0.22 H new ATOM 0 HB2 LEU A 53 4.526 -2.405 1.831 1.00 0.31 H new ATOM 0 HB3 LEU A 53 4.799 -3.338 0.373 1.00 0.31 H new ATOM 0 HG LEU A 53 6.937 -3.970 0.993 1.00 0.49 H new ATOM 0 HD11 LEU A 53 8.277 -2.904 2.757 1.00 1.20 H new ATOM 0 HD12 LEU A 53 7.848 -1.756 1.466 1.00 1.20 H new ATOM 0 HD13 LEU A 53 6.979 -1.715 3.019 1.00 1.20 H new ATOM 0 HD21 LEU A 53 6.762 -4.718 3.363 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.415 -3.581 3.609 1.00 0.96 H new ATOM 0 HD23 LEU A 53 5.229 -4.952 2.490 1.00 0.96 H new ATOM 869 N ASP A 54 7.780 -1.167 -0.697 1.00 0.20 N ATOM 870 CA ASP A 54 8.850 -1.512 -1.618 1.00 0.19 C ATOM 871 C ASP A 54 9.816 -2.512 -0.970 1.00 0.18 C ATOM 872 O ASP A 54 10.165 -2.392 0.202 1.00 0.24 O ATOM 873 CB ASP A 54 9.618 -0.265 -2.060 1.00 0.23 C ATOM 874 CG ASP A 54 10.814 -0.607 -2.930 1.00 0.36 C ATOM 875 OD1 ASP A 54 10.683 -1.480 -3.819 1.00 0.27 O ATOM 876 OD2 ASP A 54 11.898 -0.039 -2.718 1.00 0.83 O ATOM 0 H ASP A 54 8.073 -0.580 0.084 1.00 0.20 H new ATOM 0 HA ASP A 54 8.397 -1.971 -2.497 1.00 0.19 H new ATOM 0 HB2 ASP A 54 8.948 0.396 -2.610 1.00 0.23 H new ATOM 0 HB3 ASP A 54 9.956 0.283 -1.180 1.00 0.23 H new ATOM 881 N MET A 55 10.224 -3.505 -1.749 1.00 0.27 N ATOM 882 CA MET A 55 11.166 -4.530 -1.311 1.00 0.31 C ATOM 883 C MET A 55 12.601 -4.055 -1.525 1.00 0.32 C ATOM 884 O MET A 55 13.527 -4.519 -0.861 1.00 0.43 O ATOM 885 CB MET A 55 10.913 -5.819 -2.104 1.00 0.38 C ATOM 886 CG MET A 55 11.884 -6.951 -1.813 1.00 0.48 C ATOM 887 SD MET A 55 11.815 -8.250 -3.065 1.00 1.23 S ATOM 888 CE MET A 55 12.338 -7.350 -4.523 1.00 1.60 C ATOM 0 H MET A 55 9.908 -3.624 -2.712 1.00 0.27 H new ATOM 0 HA MET A 55 11.022 -4.723 -0.248 1.00 0.31 H new ATOM 0 HB2 MET A 55 9.901 -6.165 -1.894 1.00 0.38 H new ATOM 0 HB3 MET A 55 10.956 -5.588 -3.168 1.00 0.38 H new ATOM 0 HG2 MET A 55 12.897 -6.553 -1.761 1.00 0.48 H new ATOM 0 HG3 MET A 55 11.658 -7.378 -0.836 1.00 0.48 H new ATOM 0 HE1 MET A 55 12.800 -8.039 -5.230 1.00 1.60 H new ATOM 0 HE2 MET A 55 11.473 -6.878 -4.989 1.00 1.60 H new ATOM 0 HE3 MET A 55 13.059 -6.584 -4.238 1.00 1.60 H new ATOM 898 N LYS A 56 12.769 -3.104 -2.441 1.00 0.29 N ATOM 899 CA LYS A 56 14.088 -2.555 -2.758 1.00 0.35 C ATOM 900 C LYS A 56 14.430 -1.436 -1.788 1.00 0.30 C ATOM 901 O LYS A 56 15.344 -0.642 -2.015 1.00 0.37 O ATOM 902 CB LYS A 56 14.132 -2.028 -4.191 1.00 0.49 C ATOM 903 CG LYS A 56 13.944 -3.108 -5.242 1.00 0.76 C ATOM 904 CD LYS A 56 12.476 -3.348 -5.588 1.00 1.11 C ATOM 905 CE LYS A 56 11.861 -2.285 -6.511 1.00 1.26 C ATOM 906 NZ LYS A 56 12.220 -0.891 -6.127 1.00 2.37 N ATOM 0 H LYS A 56 12.005 -2.695 -2.980 1.00 0.29 H new ATOM 0 HA LYS A 56 14.822 -3.355 -2.664 1.00 0.35 H new ATOM 0 HB2 LYS A 56 13.356 -1.273 -4.315 1.00 0.49 H new ATOM 0 HB3 LYS A 56 15.089 -1.533 -4.358 1.00 0.49 H new ATOM 0 HG2 LYS A 56 14.484 -2.827 -6.146 1.00 0.76 H new ATOM 0 HG3 LYS A 56 14.385 -4.038 -4.883 1.00 0.76 H new ATOM 0 HD2 LYS A 56 12.382 -4.324 -6.064 1.00 1.11 H new ATOM 0 HD3 LYS A 56 11.899 -3.388 -4.664 1.00 1.11 H new ATOM 0 HE2 LYS A 56 12.189 -2.468 -7.534 1.00 1.26 H new ATOM 0 HE3 LYS A 56 10.776 -2.389 -6.501 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 11.761 -0.222 -6.778 1.00 2.37 H new ATOM 0 HZ2 LYS A 56 11.899 -0.705 -5.156 1.00 2.37 H new ATOM 0 HZ3 LYS A 56 13.252 -0.771 -6.179 1.00 2.37 H new ATOM 920 N ILE A 57 13.695 -1.405 -0.696 1.00 0.24 N ATOM 921 CA ILE A 57 13.836 -0.364 0.299 1.00 0.24 C ATOM 922 C ILE A 57 15.064 -0.660 1.170 1.00 0.29 C ATOM 923 O ILE A 57 15.230 -1.774 1.680 1.00 0.32 O ATOM 924 CB ILE A 57 12.526 -0.244 1.145 1.00 0.22 C ATOM 925 CG1 ILE A 57 12.116 1.219 1.290 1.00 0.24 C ATOM 926 CG2 ILE A 57 12.646 -0.900 2.515 1.00 0.25 C ATOM 927 CD1 ILE A 57 13.092 2.080 2.052 1.00 0.29 C ATOM 0 H ILE A 57 12.983 -2.101 -0.474 1.00 0.24 H new ATOM 0 HA ILE A 57 13.991 0.600 -0.186 1.00 0.24 H new ATOM 0 HB ILE A 57 11.750 -0.784 0.602 1.00 0.22 H new ATOM 0 HG12 ILE A 57 11.980 1.643 0.295 1.00 0.24 H new ATOM 0 HG13 ILE A 57 11.149 1.262 1.790 1.00 0.24 H new ATOM 0 HG21 ILE A 57 11.707 -0.785 3.057 1.00 0.25 H new ATOM 0 HG22 ILE A 57 12.867 -1.960 2.393 1.00 0.25 H new ATOM 0 HG23 ILE A 57 13.450 -0.424 3.077 1.00 0.25 H new ATOM 0 HD11 ILE A 57 12.714 3.101 2.102 1.00 0.29 H new ATOM 0 HD12 ILE A 57 13.212 1.687 3.062 1.00 0.29 H new ATOM 0 HD13 ILE A 57 14.056 2.074 1.543 1.00 0.29 H new ATOM 939 N PRO A 58 15.992 0.305 1.274 1.00 0.33 N ATOM 940 CA PRO A 58 17.186 0.150 2.102 1.00 0.38 C ATOM 941 C PRO A 58 16.831 0.054 3.578 1.00 0.37 C ATOM 942 O PRO A 58 16.282 0.991 4.158 1.00 0.37 O ATOM 943 CB PRO A 58 17.999 1.414 1.823 1.00 0.43 C ATOM 944 CG PRO A 58 17.396 2.022 0.598 1.00 0.41 C ATOM 945 CD PRO A 58 15.960 1.602 0.588 1.00 0.36 C ATOM 0 HA PRO A 58 17.731 -0.765 1.869 1.00 0.38 H new ATOM 0 HB2 PRO A 58 17.952 2.104 2.666 1.00 0.43 H new ATOM 0 HB3 PRO A 58 19.051 1.176 1.664 1.00 0.43 H new ATOM 0 HG2 PRO A 58 17.484 3.108 0.619 1.00 0.41 H new ATOM 0 HG3 PRO A 58 17.909 1.678 -0.300 1.00 0.41 H new ATOM 0 HD2 PRO A 58 15.326 2.319 1.109 1.00 0.36 H new ATOM 0 HD3 PRO A 58 15.572 1.513 -0.427 1.00 0.36 H new ATOM 953 N GLY A 59 17.171 -1.073 4.184 1.00 0.41 N ATOM 954 CA GLY A 59 16.780 -1.328 5.551 1.00 0.44 C ATOM 955 C GLY A 59 16.396 -2.773 5.764 1.00 0.42 C ATOM 956 O GLY A 59 17.178 -3.568 6.285 1.00 0.55 O ATOM 0 H GLY A 59 17.714 -1.819 3.749 1.00 0.41 H new ATOM 0 HA2 GLY A 59 17.601 -1.068 6.219 1.00 0.44 H new ATOM 0 HA3 GLY A 59 15.940 -0.686 5.815 1.00 0.44 H new ATOM 960 N MET A 60 15.186 -3.108 5.348 1.00 0.38 N ATOM 961 CA MET A 60 14.649 -4.457 5.523 1.00 0.39 C ATOM 962 C MET A 60 14.049 -4.962 4.220 1.00 0.36 C ATOM 963 O MET A 60 13.801 -4.182 3.300 1.00 0.34 O ATOM 964 CB MET A 60 13.573 -4.478 6.614 1.00 0.40 C ATOM 965 CG MET A 60 14.055 -3.953 7.962 1.00 0.53 C ATOM 966 SD MET A 60 15.155 -5.108 8.806 1.00 0.78 S ATOM 967 CE MET A 60 14.064 -6.513 9.054 1.00 1.51 C ATOM 0 H MET A 60 14.549 -2.462 4.882 1.00 0.38 H new ATOM 0 HA MET A 60 15.471 -5.107 5.821 1.00 0.39 H new ATOM 0 HB2 MET A 60 12.723 -3.881 6.285 1.00 0.40 H new ATOM 0 HB3 MET A 60 13.215 -5.500 6.739 1.00 0.40 H new ATOM 0 HG2 MET A 60 14.574 -3.006 7.814 1.00 0.53 H new ATOM 0 HG3 MET A 60 13.193 -3.749 8.597 1.00 0.53 H new ATOM 0 HE1 MET A 60 14.190 -6.897 10.066 1.00 1.51 H new ATOM 0 HE2 MET A 60 13.030 -6.200 8.910 1.00 1.51 H new ATOM 0 HE3 MET A 60 14.310 -7.296 8.336 1.00 1.51 H new ATOM 977 N ASP A 61 13.789 -6.263 4.151 1.00 0.38 N ATOM 978 CA ASP A 61 13.190 -6.855 2.953 1.00 0.38 C ATOM 979 C ASP A 61 11.702 -6.625 2.955 1.00 0.32 C ATOM 980 O ASP A 61 10.951 -7.391 3.558 1.00 0.33 O ATOM 981 CB ASP A 61 13.454 -8.346 2.830 1.00 0.48 C ATOM 982 CG ASP A 61 14.926 -8.691 2.848 1.00 0.70 C ATOM 983 OD1 ASP A 61 15.588 -8.567 1.798 1.00 0.88 O ATOM 984 OD2 ASP A 61 15.429 -9.087 3.921 1.00 0.84 O ATOM 0 H ASP A 61 13.980 -6.926 4.902 1.00 0.38 H new ATOM 0 HA ASP A 61 13.658 -6.365 2.100 1.00 0.38 H new ATOM 0 HB2 ASP A 61 12.955 -8.866 3.648 1.00 0.48 H new ATOM 0 HB3 ASP A 61 13.012 -8.712 1.903 1.00 0.48 H new ATOM 989 N GLY A 62 11.279 -5.564 2.284 1.00 0.33 N ATOM 990 CA GLY A 62 9.872 -5.228 2.233 1.00 0.37 C ATOM 991 C GLY A 62 9.012 -6.386 1.775 1.00 0.36 C ATOM 992 O GLY A 62 7.853 -6.486 2.163 1.00 0.40 O ATOM 0 H GLY A 62 11.889 -4.927 1.772 1.00 0.33 H new ATOM 0 HA2 GLY A 62 9.544 -4.905 3.221 1.00 0.37 H new ATOM 0 HA3 GLY A 62 9.728 -4.384 1.558 1.00 0.37 H new ATOM 996 N ILE A 63 9.586 -7.272 0.963 1.00 0.35 N ATOM 997 CA ILE A 63 8.880 -8.466 0.530 1.00 0.36 C ATOM 998 C ILE A 63 8.378 -9.255 1.739 1.00 0.32 C ATOM 999 O ILE A 63 7.181 -9.497 1.883 1.00 0.33 O ATOM 1000 CB ILE A 63 9.764 -9.370 -0.375 1.00 0.42 C ATOM 1001 CG1 ILE A 63 9.036 -10.684 -0.693 1.00 0.64 C ATOM 1002 CG2 ILE A 63 11.121 -9.648 0.264 1.00 0.39 C ATOM 1003 CD1 ILE A 63 9.829 -11.630 -1.571 1.00 1.60 C ATOM 0 H ILE A 63 10.533 -7.182 0.596 1.00 0.35 H new ATOM 0 HA ILE A 63 8.027 -8.142 -0.066 1.00 0.36 H new ATOM 0 HB ILE A 63 9.944 -8.834 -1.307 1.00 0.42 H new ATOM 0 HG12 ILE A 63 8.794 -11.189 0.242 1.00 0.64 H new ATOM 0 HG13 ILE A 63 8.091 -10.454 -1.185 1.00 0.64 H new ATOM 0 HG21 ILE A 63 11.711 -10.283 -0.397 1.00 0.39 H new ATOM 0 HG22 ILE A 63 11.646 -8.707 0.427 1.00 0.39 H new ATOM 0 HG23 ILE A 63 10.977 -10.153 1.219 1.00 0.39 H new ATOM 0 HD11 ILE A 63 9.247 -12.534 -1.750 1.00 1.60 H new ATOM 0 HD12 ILE A 63 10.049 -11.146 -2.522 1.00 1.60 H new ATOM 0 HD13 ILE A 63 10.763 -11.892 -1.073 1.00 1.60 H new ATOM 1015 N GLU A 64 9.298 -9.586 2.625 1.00 0.31 N ATOM 1016 CA GLU A 64 9.023 -10.395 3.795 1.00 0.33 C ATOM 1017 C GLU A 64 7.989 -9.739 4.698 1.00 0.28 C ATOM 1018 O GLU A 64 7.084 -10.406 5.204 1.00 0.30 O ATOM 1019 CB GLU A 64 10.332 -10.596 4.535 1.00 0.40 C ATOM 1020 CG GLU A 64 11.456 -10.960 3.585 1.00 0.49 C ATOM 1021 CD GLU A 64 11.847 -12.416 3.681 1.00 0.69 C ATOM 1022 OE1 GLU A 64 11.163 -13.268 3.081 1.00 0.86 O ATOM 1023 OE2 GLU A 64 12.855 -12.716 4.354 1.00 0.97 O ATOM 0 H GLU A 64 10.273 -9.295 2.550 1.00 0.31 H new ATOM 0 HA GLU A 64 8.606 -11.354 3.489 1.00 0.33 H new ATOM 0 HB2 GLU A 64 10.590 -9.684 5.074 1.00 0.40 H new ATOM 0 HB3 GLU A 64 10.213 -11.384 5.279 1.00 0.40 H new ATOM 0 HG2 GLU A 64 11.150 -10.736 2.563 1.00 0.49 H new ATOM 0 HG3 GLU A 64 12.325 -10.339 3.801 1.00 0.49 H new ATOM 1030 N ILE A 65 8.118 -8.428 4.882 1.00 0.27 N ATOM 1031 CA ILE A 65 7.171 -7.684 5.700 1.00 0.27 C ATOM 1032 C ILE A 65 5.774 -7.753 5.091 1.00 0.27 C ATOM 1033 O ILE A 65 4.809 -8.022 5.790 1.00 0.29 O ATOM 1034 CB ILE A 65 7.578 -6.197 5.894 1.00 0.28 C ATOM 1035 CG1 ILE A 65 8.783 -6.068 6.834 1.00 0.30 C ATOM 1036 CG2 ILE A 65 6.408 -5.382 6.436 1.00 0.34 C ATOM 1037 CD1 ILE A 65 10.110 -6.388 6.190 1.00 0.32 C ATOM 0 H ILE A 65 8.865 -7.864 4.478 1.00 0.27 H new ATOM 0 HA ILE A 65 7.175 -8.155 6.683 1.00 0.27 H new ATOM 0 HB ILE A 65 7.860 -5.805 4.917 1.00 0.28 H new ATOM 0 HG12 ILE A 65 8.818 -5.051 7.224 1.00 0.30 H new ATOM 0 HG13 ILE A 65 8.637 -6.731 7.686 1.00 0.30 H new ATOM 0 HG21 ILE A 65 6.716 -4.344 6.564 1.00 0.34 H new ATOM 0 HG22 ILE A 65 5.575 -5.430 5.734 1.00 0.34 H new ATOM 0 HG23 ILE A 65 6.096 -5.789 7.398 1.00 0.34 H new ATOM 0 HD11 ILE A 65 10.908 -6.272 6.924 1.00 0.32 H new ATOM 0 HD12 ILE A 65 10.099 -7.415 5.825 1.00 0.32 H new ATOM 0 HD13 ILE A 65 10.283 -5.708 5.356 1.00 0.32 H new ATOM 1049 N LEU A 66 5.686 -7.547 3.782 1.00 0.29 N ATOM 1050 CA LEU A 66 4.405 -7.525 3.077 1.00 0.34 C ATOM 1051 C LEU A 66 3.682 -8.858 3.222 1.00 0.32 C ATOM 1052 O LEU A 66 2.459 -8.900 3.415 1.00 0.34 O ATOM 1053 CB LEU A 66 4.652 -7.214 1.600 1.00 0.52 C ATOM 1054 CG LEU A 66 3.442 -6.742 0.791 1.00 1.02 C ATOM 1055 CD1 LEU A 66 2.899 -5.417 1.327 1.00 1.98 C ATOM 1056 CD2 LEU A 66 3.833 -6.605 -0.672 1.00 1.67 C ATOM 0 H LEU A 66 6.495 -7.391 3.180 1.00 0.29 H new ATOM 0 HA LEU A 66 3.772 -6.753 3.514 1.00 0.34 H new ATOM 0 HB2 LEU A 66 5.425 -6.448 1.537 1.00 0.52 H new ATOM 0 HB3 LEU A 66 5.052 -8.110 1.125 1.00 0.52 H new ATOM 0 HG LEU A 66 2.649 -7.484 0.886 1.00 1.02 H new ATOM 0 HD11 LEU A 66 2.040 -5.108 0.731 1.00 1.98 H new ATOM 0 HD12 LEU A 66 2.594 -5.542 2.366 1.00 1.98 H new ATOM 0 HD13 LEU A 66 3.675 -4.654 1.266 1.00 1.98 H new ATOM 0 HD21 LEU A 66 2.971 -6.269 -1.249 1.00 1.67 H new ATOM 0 HD22 LEU A 66 4.639 -5.878 -0.767 1.00 1.67 H new ATOM 0 HD23 LEU A 66 4.169 -7.570 -1.051 1.00 1.67 H new ATOM 1068 N LYS A 67 4.434 -9.947 3.140 1.00 0.32 N ATOM 1069 CA LYS A 67 3.855 -11.264 3.339 1.00 0.37 C ATOM 1070 C LYS A 67 3.339 -11.374 4.769 1.00 0.38 C ATOM 1071 O LYS A 67 2.217 -11.803 5.003 1.00 0.44 O ATOM 1072 CB LYS A 67 4.873 -12.367 3.064 1.00 0.42 C ATOM 1073 CG LYS A 67 5.860 -12.009 1.974 1.00 0.40 C ATOM 1074 CD LYS A 67 7.033 -12.976 1.910 1.00 0.43 C ATOM 1075 CE LYS A 67 7.521 -13.365 3.305 1.00 1.34 C ATOM 1076 NZ LYS A 67 8.671 -14.308 3.270 1.00 1.27 N ATOM 0 H LYS A 67 5.434 -9.944 2.939 1.00 0.32 H new ATOM 0 HA LYS A 67 3.032 -11.391 2.636 1.00 0.37 H new ATOM 0 HB2 LYS A 67 5.419 -12.586 3.982 1.00 0.42 H new ATOM 0 HB3 LYS A 67 4.345 -13.278 2.782 1.00 0.42 H new ATOM 0 HG2 LYS A 67 5.347 -12.001 1.012 1.00 0.40 H new ATOM 0 HG3 LYS A 67 6.234 -11.000 2.144 1.00 0.40 H new ATOM 0 HD2 LYS A 67 6.737 -13.872 1.365 1.00 0.43 H new ATOM 0 HD3 LYS A 67 7.851 -12.520 1.352 1.00 0.43 H new ATOM 0 HE2 LYS A 67 7.811 -12.465 3.848 1.00 1.34 H new ATOM 0 HE3 LYS A 67 6.700 -13.821 3.859 1.00 1.34 H new ATOM 0 HZ1 LYS A 67 8.515 -15.071 3.959 1.00 1.27 H new ATOM 0 HZ2 LYS A 67 8.758 -14.715 2.317 1.00 1.27 H new ATOM 0 HZ3 LYS A 67 9.545 -13.798 3.510 1.00 1.27 H new ATOM 1090 N ARG A 68 4.169 -10.959 5.720 1.00 0.35 N ATOM 1091 CA ARG A 68 3.796 -10.936 7.122 1.00 0.41 C ATOM 1092 C ARG A 68 2.571 -10.051 7.353 1.00 0.39 C ATOM 1093 O ARG A 68 1.749 -10.352 8.200 1.00 0.46 O ATOM 1094 CB ARG A 68 4.974 -10.425 7.956 1.00 0.45 C ATOM 1095 CG ARG A 68 4.750 -10.546 9.448 1.00 0.49 C ATOM 1096 CD ARG A 68 4.562 -11.997 9.836 1.00 1.11 C ATOM 1097 NE ARG A 68 4.000 -12.131 11.180 1.00 1.70 N ATOM 1098 CZ ARG A 68 4.093 -13.230 11.926 1.00 2.45 C ATOM 1099 NH1 ARG A 68 4.717 -14.306 11.461 1.00 2.71 N ATOM 1100 NH2 ARG A 68 3.566 -13.246 13.145 1.00 3.22 N ATOM 0 H ARG A 68 5.117 -10.630 5.537 1.00 0.35 H new ATOM 0 HA ARG A 68 3.541 -11.951 7.428 1.00 0.41 H new ATOM 0 HB2 ARG A 68 5.871 -10.982 7.684 1.00 0.45 H new ATOM 0 HB3 ARG A 68 5.160 -9.380 7.707 1.00 0.45 H new ATOM 0 HG2 ARG A 68 5.600 -10.126 9.985 1.00 0.49 H new ATOM 0 HG3 ARG A 68 3.873 -9.968 9.739 1.00 0.49 H new ATOM 0 HD2 ARG A 68 3.903 -12.483 9.116 1.00 1.11 H new ATOM 0 HD3 ARG A 68 5.521 -12.513 9.790 1.00 1.11 H new ATOM 0 HE ARG A 68 3.504 -11.330 11.571 1.00 1.70 H new ATOM 0 HH11 ARG A 68 5.128 -14.294 10.528 1.00 2.71 H new ATOM 0 HH12 ARG A 68 4.785 -15.145 12.037 1.00 2.71 H new ATOM 0 HH21 ARG A 68 3.092 -12.418 13.507 1.00 3.22 H new ATOM 0 HH22 ARG A 68 3.635 -14.086 13.720 1.00 3.22 H new ATOM 1114 N MET A 69 2.453 -8.968 6.595 1.00 0.34 N ATOM 1115 CA MET A 69 1.322 -8.051 6.728 1.00 0.36 C ATOM 1116 C MET A 69 0.010 -8.742 6.399 1.00 0.41 C ATOM 1117 O MET A 69 -0.944 -8.702 7.186 1.00 0.45 O ATOM 1118 CB MET A 69 1.499 -6.846 5.812 1.00 0.38 C ATOM 1119 CG MET A 69 2.697 -5.986 6.163 1.00 0.42 C ATOM 1120 SD MET A 69 2.607 -5.331 7.840 1.00 1.16 S ATOM 1121 CE MET A 69 0.993 -4.562 7.799 1.00 1.18 C ATOM 0 H MET A 69 3.128 -8.700 5.879 1.00 0.34 H new ATOM 0 HA MET A 69 1.292 -7.718 7.766 1.00 0.36 H new ATOM 0 HB2 MET A 69 1.601 -7.194 4.784 1.00 0.38 H new ATOM 0 HB3 MET A 69 0.598 -6.234 5.853 1.00 0.38 H new ATOM 0 HG2 MET A 69 3.608 -6.575 6.055 1.00 0.42 H new ATOM 0 HG3 MET A 69 2.766 -5.159 5.456 1.00 0.42 H new ATOM 0 HE1 MET A 69 1.102 -3.482 7.895 1.00 1.18 H new ATOM 0 HE2 MET A 69 0.503 -4.795 6.853 1.00 1.18 H new ATOM 0 HE3 MET A 69 0.389 -4.940 8.623 1.00 1.18 H new ATOM 1131 N LYS A 70 -0.047 -9.369 5.231 1.00 0.47 N ATOM 1132 CA LYS A 70 -1.220 -10.160 4.875 1.00 0.60 C ATOM 1133 C LYS A 70 -1.380 -11.313 5.858 1.00 0.66 C ATOM 1134 O LYS A 70 -2.461 -11.861 5.998 1.00 0.90 O ATOM 1135 CB LYS A 70 -1.149 -10.685 3.432 1.00 0.80 C ATOM 1136 CG LYS A 70 0.147 -11.388 3.092 1.00 0.98 C ATOM 1137 CD LYS A 70 -0.046 -12.833 2.643 1.00 1.71 C ATOM 1138 CE LYS A 70 -0.479 -13.770 3.770 1.00 2.51 C ATOM 1139 NZ LYS A 70 -1.943 -13.730 4.040 1.00 3.32 N ATOM 0 H LYS A 70 0.689 -9.348 4.525 1.00 0.47 H new ATOM 0 HA LYS A 70 -2.092 -9.509 4.933 1.00 0.60 H new ATOM 0 HB2 LYS A 70 -1.977 -11.374 3.266 1.00 0.80 H new ATOM 0 HB3 LYS A 70 -1.287 -9.849 2.746 1.00 0.80 H new ATOM 0 HG2 LYS A 70 0.655 -10.835 2.302 1.00 0.98 H new ATOM 0 HG3 LYS A 70 0.800 -11.371 3.964 1.00 0.98 H new ATOM 0 HD2 LYS A 70 -0.793 -12.862 1.850 1.00 1.71 H new ATOM 0 HD3 LYS A 70 0.887 -13.200 2.215 1.00 1.71 H new ATOM 0 HE2 LYS A 70 -0.191 -14.790 3.516 1.00 2.51 H new ATOM 0 HE3 LYS A 70 0.059 -13.505 4.680 1.00 2.51 H new ATOM 0 HZ1 LYS A 70 -2.226 -14.592 4.548 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 -2.166 -12.897 4.621 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 -2.461 -13.673 3.140 1.00 3.32 H new ATOM 1153 N VAL A 71 -0.288 -11.693 6.513 1.00 0.59 N ATOM 1154 CA VAL A 71 -0.341 -12.672 7.598 1.00 0.66 C ATOM 1155 C VAL A 71 -0.995 -12.067 8.850 1.00 0.67 C ATOM 1156 O VAL A 71 -1.754 -12.735 9.553 1.00 0.79 O ATOM 1157 CB VAL A 71 1.072 -13.165 7.943 1.00 0.65 C ATOM 1158 CG1 VAL A 71 1.061 -13.972 9.221 1.00 0.76 C ATOM 1159 CG2 VAL A 71 1.652 -13.999 6.817 1.00 0.75 C ATOM 0 H VAL A 71 0.647 -11.338 6.312 1.00 0.59 H new ATOM 0 HA VAL A 71 -0.944 -13.515 7.260 1.00 0.66 H new ATOM 0 HB VAL A 71 1.700 -12.285 8.083 1.00 0.65 H new ATOM 0 HG11 VAL A 71 2.072 -14.311 9.446 1.00 0.76 H new ATOM 0 HG12 VAL A 71 0.696 -13.352 10.040 1.00 0.76 H new ATOM 0 HG13 VAL A 71 0.407 -14.836 9.100 1.00 0.76 H new ATOM 0 HG21 VAL A 71 2.653 -14.334 7.090 1.00 0.75 H new ATOM 0 HG22 VAL A 71 1.015 -14.866 6.641 1.00 0.75 H new ATOM 0 HG23 VAL A 71 1.706 -13.398 5.909 1.00 0.75 H new ATOM 1169 N ILE A 72 -0.705 -10.792 9.100 1.00 0.59 N ATOM 1170 CA ILE A 72 -1.189 -10.094 10.290 1.00 0.64 C ATOM 1171 C ILE A 72 -2.702 -9.906 10.254 1.00 0.66 C ATOM 1172 O ILE A 72 -3.389 -10.102 11.260 1.00 0.77 O ATOM 1173 CB ILE A 72 -0.541 -8.690 10.413 1.00 0.62 C ATOM 1174 CG1 ILE A 72 0.983 -8.779 10.529 1.00 0.57 C ATOM 1175 CG2 ILE A 72 -1.117 -7.919 11.595 1.00 0.79 C ATOM 1176 CD1 ILE A 72 1.473 -9.710 11.621 1.00 1.48 C ATOM 0 H ILE A 72 -0.130 -10.215 8.486 1.00 0.59 H new ATOM 0 HA ILE A 72 -0.915 -10.714 11.144 1.00 0.64 H new ATOM 0 HB ILE A 72 -0.778 -8.148 9.498 1.00 0.62 H new ATOM 0 HG12 ILE A 72 1.389 -9.113 9.574 1.00 0.57 H new ATOM 0 HG13 ILE A 72 1.380 -7.781 10.713 1.00 0.57 H new ATOM 0 HG21 ILE A 72 -0.644 -6.939 11.656 1.00 0.79 H new ATOM 0 HG22 ILE A 72 -2.191 -7.795 11.460 1.00 0.79 H new ATOM 0 HG23 ILE A 72 -0.928 -8.471 12.516 1.00 0.79 H new ATOM 0 HD11 ILE A 72 2.563 -9.714 11.634 1.00 1.48 H new ATOM 0 HD12 ILE A 72 1.100 -9.367 12.586 1.00 1.48 H new ATOM 0 HD13 ILE A 72 1.109 -10.719 11.429 1.00 1.48 H new ATOM 1188 N ASP A 73 -3.219 -9.539 9.093 1.00 0.61 N ATOM 1189 CA ASP A 73 -4.634 -9.196 8.979 1.00 0.67 C ATOM 1190 C ASP A 73 -5.373 -10.197 8.101 1.00 0.72 C ATOM 1191 O ASP A 73 -6.369 -10.786 8.517 1.00 0.85 O ATOM 1192 CB ASP A 73 -4.777 -7.798 8.384 1.00 0.64 C ATOM 1193 CG ASP A 73 -6.129 -7.179 8.654 1.00 0.97 C ATOM 1194 OD1 ASP A 73 -7.145 -7.745 8.209 1.00 1.88 O ATOM 1195 OD2 ASP A 73 -6.180 -6.133 9.316 1.00 0.91 O ATOM 0 H ASP A 73 -2.691 -9.470 8.223 1.00 0.61 H new ATOM 0 HA ASP A 73 -5.072 -9.223 9.977 1.00 0.67 H new ATOM 0 HB2 ASP A 73 -4.000 -7.153 8.794 1.00 0.64 H new ATOM 0 HB3 ASP A 73 -4.615 -7.849 7.307 1.00 0.64 H new ATOM 1200 N GLU A 74 -4.886 -10.320 6.862 1.00 0.67 N ATOM 1201 CA GLU A 74 -5.397 -11.251 5.843 1.00 0.75 C ATOM 1202 C GLU A 74 -6.517 -10.573 5.082 1.00 0.74 C ATOM 1203 O GLU A 74 -7.078 -11.110 4.128 1.00 0.86 O ATOM 1204 CB GLU A 74 -5.858 -12.585 6.450 1.00 0.88 C ATOM 1205 CG GLU A 74 -4.760 -13.300 7.218 1.00 0.99 C ATOM 1206 CD GLU A 74 -5.244 -14.550 7.921 1.00 1.19 C ATOM 1207 OE1 GLU A 74 -5.754 -14.438 9.054 1.00 1.31 O ATOM 1208 OE2 GLU A 74 -5.109 -15.650 7.342 1.00 1.31 O ATOM 0 H GLU A 74 -4.102 -9.759 6.528 1.00 0.67 H new ATOM 0 HA GLU A 74 -4.586 -11.499 5.158 1.00 0.75 H new ATOM 0 HB2 GLU A 74 -6.700 -12.402 7.117 1.00 0.88 H new ATOM 0 HB3 GLU A 74 -6.218 -13.235 5.653 1.00 0.88 H new ATOM 0 HG2 GLU A 74 -3.957 -13.565 6.530 1.00 0.99 H new ATOM 0 HG3 GLU A 74 -4.336 -12.617 7.954 1.00 0.99 H new ATOM 1215 N ASN A 75 -6.814 -9.369 5.534 1.00 0.68 N ATOM 1216 CA ASN A 75 -7.854 -8.534 4.969 1.00 0.74 C ATOM 1217 C ASN A 75 -7.249 -7.194 4.597 1.00 0.67 C ATOM 1218 O ASN A 75 -7.815 -6.423 3.821 1.00 0.76 O ATOM 1219 CB ASN A 75 -8.955 -8.308 6.005 1.00 0.85 C ATOM 1220 CG ASN A 75 -9.772 -9.550 6.335 1.00 0.95 C ATOM 1221 OD1 ASN A 75 -9.107 -10.673 6.525 1.00 1.14 O flip ATOM 1222 ND2 ASN A 75 -10.993 -9.479 6.480 1.00 1.00 N flip ATOM 0 H ASN A 75 -6.328 -8.937 6.320 1.00 0.68 H new ATOM 0 HA ASN A 75 -8.278 -9.020 4.090 1.00 0.74 H new ATOM 0 HB2 ASN A 75 -8.502 -7.931 6.922 1.00 0.85 H new ATOM 0 HB3 ASN A 75 -9.628 -7.532 5.639 1.00 0.85 H new ATOM 0 HD21 ASN A 75 -11.474 -8.593 6.324 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -11.523 -10.306 6.756 1.00 1.00 H new ATOM 1229 N ILE A 76 -6.082 -6.937 5.181 1.00 0.57 N ATOM 1230 CA ILE A 76 -5.381 -5.680 5.010 1.00 0.51 C ATOM 1231 C ILE A 76 -5.053 -5.436 3.546 1.00 0.40 C ATOM 1232 O ILE A 76 -4.584 -6.328 2.832 1.00 0.36 O ATOM 1233 CB ILE A 76 -4.091 -5.636 5.865 1.00 0.51 C ATOM 1234 CG1 ILE A 76 -3.494 -4.231 5.840 1.00 0.52 C ATOM 1235 CG2 ILE A 76 -3.071 -6.666 5.383 1.00 0.48 C ATOM 1236 CD1 ILE A 76 -2.385 -4.026 6.845 1.00 0.59 C ATOM 0 H ILE A 76 -5.599 -7.600 5.787 1.00 0.57 H new ATOM 0 HA ILE A 76 -6.043 -4.885 5.353 1.00 0.51 H new ATOM 0 HB ILE A 76 -4.353 -5.889 6.892 1.00 0.51 H new ATOM 0 HG12 ILE A 76 -3.109 -4.027 4.841 1.00 0.52 H new ATOM 0 HG13 ILE A 76 -4.285 -3.506 6.032 1.00 0.52 H new ATOM 0 HG21 ILE A 76 -2.177 -6.610 6.003 1.00 0.48 H new ATOM 0 HG22 ILE A 76 -3.501 -7.665 5.455 1.00 0.48 H new ATOM 0 HG23 ILE A 76 -2.807 -6.459 4.346 1.00 0.48 H new ATOM 0 HD11 ILE A 76 -2.010 -3.006 6.769 1.00 0.59 H new ATOM 0 HD12 ILE A 76 -2.769 -4.198 7.851 1.00 0.59 H new ATOM 0 HD13 ILE A 76 -1.575 -4.727 6.641 1.00 0.59 H new ATOM 1248 N ARG A 77 -5.336 -4.235 3.095 1.00 0.42 N ATOM 1249 CA ARG A 77 -5.108 -3.877 1.715 1.00 0.39 C ATOM 1250 C ARG A 77 -3.679 -3.424 1.498 1.00 0.37 C ATOM 1251 O ARG A 77 -3.338 -2.254 1.620 1.00 0.53 O ATOM 1252 CB ARG A 77 -6.090 -2.810 1.283 1.00 0.55 C ATOM 1253 CG ARG A 77 -7.526 -3.218 1.532 1.00 0.74 C ATOM 1254 CD ARG A 77 -7.800 -4.595 0.948 1.00 0.79 C ATOM 1255 NE ARG A 77 -9.224 -4.875 0.806 1.00 1.24 N ATOM 1256 CZ ARG A 77 -9.728 -6.093 0.646 1.00 1.51 C ATOM 1257 NH1 ARG A 77 -8.941 -7.157 0.739 1.00 1.94 N ATOM 1258 NH2 ARG A 77 -11.023 -6.243 0.413 1.00 1.93 N ATOM 0 H ARG A 77 -5.726 -3.487 3.668 1.00 0.42 H new ATOM 0 HA ARG A 77 -5.268 -4.762 1.099 1.00 0.39 H new ATOM 0 HB2 ARG A 77 -5.879 -1.886 1.820 1.00 0.55 H new ATOM 0 HB3 ARG A 77 -5.953 -2.601 0.222 1.00 0.55 H new ATOM 0 HG2 ARG A 77 -7.727 -3.225 2.603 1.00 0.74 H new ATOM 0 HG3 ARG A 77 -8.200 -2.487 1.086 1.00 0.74 H new ATOM 0 HD2 ARG A 77 -7.320 -4.673 -0.027 1.00 0.79 H new ATOM 0 HD3 ARG A 77 -7.347 -5.353 1.588 1.00 0.79 H new ATOM 0 HE ARG A 77 -9.872 -4.088 0.831 1.00 1.24 H new ATOM 0 HH11 ARG A 77 -7.947 -7.040 0.934 1.00 1.94 H new ATOM 0 HH12 ARG A 77 -9.330 -8.092 0.616 1.00 1.94 H new ATOM 0 HH21 ARG A 77 -11.629 -5.425 0.357 1.00 1.93 H new ATOM 0 HH22 ARG A 77 -11.414 -7.177 0.289 1.00 1.93 H new ATOM 1272 N VAL A 78 -2.852 -4.385 1.190 1.00 0.33 N ATOM 1273 CA VAL A 78 -1.452 -4.150 0.938 1.00 0.38 C ATOM 1274 C VAL A 78 -1.229 -3.842 -0.535 1.00 0.38 C ATOM 1275 O VAL A 78 -1.878 -4.421 -1.400 1.00 0.53 O ATOM 1276 CB VAL A 78 -0.603 -5.365 1.365 1.00 0.43 C ATOM 1277 CG1 VAL A 78 -0.347 -5.324 2.863 1.00 0.95 C ATOM 1278 CG2 VAL A 78 -1.298 -6.669 0.995 1.00 0.88 C ATOM 0 H VAL A 78 -3.131 -5.363 1.105 1.00 0.33 H new ATOM 0 HA VAL A 78 -1.137 -3.291 1.531 1.00 0.38 H new ATOM 0 HB VAL A 78 0.349 -5.318 0.836 1.00 0.43 H new ATOM 0 HG11 VAL A 78 0.253 -6.186 3.153 1.00 0.95 H new ATOM 0 HG12 VAL A 78 0.187 -4.408 3.116 1.00 0.95 H new ATOM 0 HG13 VAL A 78 -1.298 -5.348 3.395 1.00 0.95 H new ATOM 0 HG21 VAL A 78 -0.680 -7.511 1.306 1.00 0.88 H new ATOM 0 HG22 VAL A 78 -2.264 -6.722 1.498 1.00 0.88 H new ATOM 0 HG23 VAL A 78 -1.448 -6.708 -0.084 1.00 0.88 H new ATOM 1288 N ILE A 79 -0.330 -2.915 -0.803 1.00 0.28 N ATOM 1289 CA ILE A 79 -0.066 -2.449 -2.153 1.00 0.29 C ATOM 1290 C ILE A 79 1.425 -2.535 -2.459 1.00 0.28 C ATOM 1291 O ILE A 79 2.269 -2.160 -1.642 1.00 0.27 O ATOM 1292 CB ILE A 79 -0.556 -0.997 -2.342 1.00 0.35 C ATOM 1293 CG1 ILE A 79 -2.075 -0.922 -2.142 1.00 0.55 C ATOM 1294 CG2 ILE A 79 -0.160 -0.471 -3.715 1.00 0.45 C ATOM 1295 CD1 ILE A 79 -2.879 -1.601 -3.227 1.00 0.59 C ATOM 0 H ILE A 79 0.240 -2.462 -0.089 1.00 0.28 H new ATOM 0 HA ILE A 79 -0.612 -3.091 -2.844 1.00 0.29 H new ATOM 0 HB ILE A 79 -0.079 -0.366 -1.592 1.00 0.35 H new ATOM 0 HG12 ILE A 79 -2.326 -1.374 -1.183 1.00 0.55 H new ATOM 0 HG13 ILE A 79 -2.371 0.126 -2.088 1.00 0.55 H new ATOM 0 HG21 ILE A 79 -0.515 0.553 -3.828 1.00 0.45 H new ATOM 0 HG22 ILE A 79 0.925 -0.492 -3.814 1.00 0.45 H new ATOM 0 HG23 ILE A 79 -0.607 -1.097 -4.487 1.00 0.45 H new ATOM 0 HD11 ILE A 79 -3.942 -1.501 -3.009 1.00 0.59 H new ATOM 0 HD12 ILE A 79 -2.661 -1.135 -4.188 1.00 0.59 H new ATOM 0 HD13 ILE A 79 -2.615 -2.658 -3.268 1.00 0.59 H new ATOM 1307 N ILE A 80 1.744 -3.024 -3.643 1.00 0.31 N ATOM 1308 CA ILE A 80 3.129 -3.268 -3.996 1.00 0.32 C ATOM 1309 C ILE A 80 3.634 -2.204 -4.951 1.00 0.37 C ATOM 1310 O ILE A 80 3.159 -2.081 -6.075 1.00 0.46 O ATOM 1311 CB ILE A 80 3.332 -4.690 -4.593 1.00 0.37 C ATOM 1312 CG1 ILE A 80 4.576 -4.744 -5.493 1.00 0.40 C ATOM 1313 CG2 ILE A 80 2.096 -5.152 -5.347 1.00 0.47 C ATOM 1314 CD1 ILE A 80 4.895 -6.134 -6.006 1.00 0.45 C ATOM 0 H ILE A 80 1.069 -3.258 -4.371 1.00 0.31 H new ATOM 0 HA ILE A 80 3.715 -3.215 -3.078 1.00 0.32 H new ATOM 0 HB ILE A 80 3.492 -5.375 -3.761 1.00 0.37 H new ATOM 0 HG12 ILE A 80 4.428 -4.077 -6.343 1.00 0.40 H new ATOM 0 HG13 ILE A 80 5.433 -4.366 -4.936 1.00 0.40 H new ATOM 0 HG21 ILE A 80 2.269 -6.149 -5.753 1.00 0.47 H new ATOM 0 HG22 ILE A 80 1.244 -5.179 -4.667 1.00 0.47 H new ATOM 0 HG23 ILE A 80 1.887 -4.460 -6.163 1.00 0.47 H new ATOM 0 HD11 ILE A 80 5.785 -6.095 -6.634 1.00 0.45 H new ATOM 0 HD12 ILE A 80 5.075 -6.801 -5.163 1.00 0.45 H new ATOM 0 HD13 ILE A 80 4.055 -6.508 -6.591 1.00 0.45 H new ATOM 1326 N MET A 81 4.595 -1.422 -4.495 1.00 0.35 N ATOM 1327 CA MET A 81 5.225 -0.444 -5.364 1.00 0.43 C ATOM 1328 C MET A 81 6.681 -0.807 -5.513 1.00 0.45 C ATOM 1329 O MET A 81 7.537 0.016 -5.840 1.00 0.57 O ATOM 1330 CB MET A 81 5.056 0.980 -4.838 1.00 0.48 C ATOM 1331 CG MET A 81 5.572 1.196 -3.429 1.00 0.47 C ATOM 1332 SD MET A 81 5.421 2.919 -2.923 1.00 0.99 S ATOM 1333 CE MET A 81 6.036 2.831 -1.252 1.00 1.36 C ATOM 0 H MET A 81 4.953 -1.443 -3.540 1.00 0.35 H new ATOM 0 HA MET A 81 4.739 -0.465 -6.339 1.00 0.43 H new ATOM 0 HB2 MET A 81 5.573 1.665 -5.510 1.00 0.48 H new ATOM 0 HB3 MET A 81 3.998 1.242 -4.868 1.00 0.48 H new ATOM 0 HG2 MET A 81 5.017 0.563 -2.737 1.00 0.47 H new ATOM 0 HG3 MET A 81 6.617 0.890 -3.373 1.00 0.47 H new ATOM 0 HE1 MET A 81 6.640 3.713 -1.040 1.00 1.36 H new ATOM 0 HE2 MET A 81 5.197 2.790 -0.557 1.00 1.36 H new ATOM 0 HE3 MET A 81 6.648 1.936 -1.136 1.00 1.36 H new ATOM 1343 N THR A 82 6.936 -2.073 -5.259 1.00 0.39 N ATOM 1344 CA THR A 82 8.246 -2.634 -5.417 1.00 0.42 C ATOM 1345 C THR A 82 8.341 -3.340 -6.765 1.00 0.48 C ATOM 1346 O THR A 82 7.548 -3.060 -7.666 1.00 0.52 O ATOM 1347 CB THR A 82 8.559 -3.610 -4.268 1.00 0.40 C ATOM 1348 OG1 THR A 82 9.938 -3.958 -4.315 1.00 0.43 O ATOM 1349 CG2 THR A 82 7.710 -4.870 -4.326 1.00 0.44 C ATOM 0 H THR A 82 6.233 -2.738 -4.936 1.00 0.39 H new ATOM 0 HA THR A 82 8.983 -1.832 -5.385 1.00 0.42 H new ATOM 0 HB THR A 82 8.321 -3.106 -3.331 1.00 0.40 H new ATOM 0 HG1 THR A 82 10.483 -3.152 -4.200 1.00 0.43 H new ATOM 0 HG21 THR A 82 7.971 -5.523 -3.493 1.00 0.44 H new ATOM 0 HG22 THR A 82 6.656 -4.602 -4.260 1.00 0.44 H new ATOM 0 HG23 THR A 82 7.894 -5.390 -5.266 1.00 0.44 H new ATOM 1357 N ALA A 83 9.310 -4.243 -6.895 1.00 0.54 N ATOM 1358 CA ALA A 83 9.540 -4.970 -8.128 1.00 0.64 C ATOM 1359 C ALA A 83 8.240 -5.520 -8.686 1.00 0.69 C ATOM 1360 O ALA A 83 7.690 -6.498 -8.192 1.00 0.74 O ATOM 1361 CB ALA A 83 10.543 -6.089 -7.901 1.00 0.77 C ATOM 0 H ALA A 83 9.955 -4.487 -6.144 1.00 0.54 H new ATOM 0 HA ALA A 83 9.952 -4.277 -8.862 1.00 0.64 H new ATOM 0 HB1 ALA A 83 10.706 -6.626 -8.835 1.00 0.77 H new ATOM 0 HB2 ALA A 83 11.487 -5.667 -7.556 1.00 0.77 H new ATOM 0 HB3 ALA A 83 10.156 -6.777 -7.149 1.00 0.77 H new ATOM 1367 N TYR A 84 7.730 -4.844 -9.693 1.00 0.75 N ATOM 1368 CA TYR A 84 6.477 -5.228 -10.312 1.00 0.93 C ATOM 1369 C TYR A 84 6.629 -6.524 -11.095 1.00 1.04 C ATOM 1370 O TYR A 84 5.645 -7.196 -11.393 1.00 1.38 O ATOM 1371 CB TYR A 84 5.967 -4.087 -11.193 1.00 1.14 C ATOM 1372 CG TYR A 84 6.664 -3.954 -12.533 1.00 1.02 C ATOM 1373 CD1 TYR A 84 7.896 -3.324 -12.639 1.00 1.17 C ATOM 1374 CD2 TYR A 84 6.079 -4.447 -13.693 1.00 1.23 C ATOM 1375 CE1 TYR A 84 8.527 -3.188 -13.860 1.00 1.68 C ATOM 1376 CE2 TYR A 84 6.704 -4.319 -14.918 1.00 1.55 C ATOM 1377 CZ TYR A 84 7.927 -3.689 -14.996 1.00 1.84 C ATOM 1378 OH TYR A 84 8.550 -3.556 -16.214 1.00 2.42 O ATOM 0 H TYR A 84 8.167 -4.019 -10.104 1.00 0.75 H new ATOM 0 HA TYR A 84 5.737 -5.415 -9.534 1.00 0.93 H new ATOM 0 HB2 TYR A 84 4.901 -4.231 -11.367 1.00 1.14 H new ATOM 0 HB3 TYR A 84 6.077 -3.150 -10.648 1.00 1.14 H new ATOM 0 HD1 TYR A 84 8.370 -2.933 -11.751 1.00 1.17 H new ATOM 0 HD2 TYR A 84 5.119 -4.939 -13.636 1.00 1.23 H new ATOM 0 HE1 TYR A 84 9.484 -2.692 -13.925 1.00 1.68 H new ATOM 0 HE2 TYR A 84 6.237 -4.710 -15.810 1.00 1.55 H new ATOM 0 HH TYR A 84 7.995 -3.964 -16.911 1.00 2.42 H new ATOM 1388 N GLY A 85 7.866 -6.884 -11.405 1.00 1.18 N ATOM 1389 CA GLY A 85 8.131 -8.177 -11.993 1.00 1.31 C ATOM 1390 C GLY A 85 8.178 -9.261 -10.935 1.00 1.26 C ATOM 1391 O GLY A 85 8.397 -10.431 -11.238 1.00 1.37 O ATOM 0 H GLY A 85 8.691 -6.302 -11.259 1.00 1.18 H new ATOM 0 HA2 GLY A 85 7.358 -8.412 -12.724 1.00 1.31 H new ATOM 0 HA3 GLY A 85 9.079 -8.148 -12.530 1.00 1.31 H new ATOM 1395 N GLU A 86 7.954 -8.865 -9.686 1.00 1.14 N ATOM 1396 CA GLU A 86 8.001 -9.783 -8.563 1.00 1.12 C ATOM 1397 C GLU A 86 6.613 -10.289 -8.234 1.00 1.14 C ATOM 1398 O GLU A 86 6.415 -11.018 -7.271 1.00 1.13 O ATOM 1399 CB GLU A 86 8.612 -9.108 -7.346 1.00 1.04 C ATOM 1400 CG GLU A 86 9.787 -9.871 -6.766 1.00 1.04 C ATOM 1401 CD GLU A 86 10.814 -10.237 -7.817 1.00 1.60 C ATOM 1402 OE1 GLU A 86 11.539 -9.334 -8.277 1.00 1.64 O ATOM 1403 OE2 GLU A 86 10.917 -11.429 -8.179 1.00 2.16 O ATOM 0 H GLU A 86 7.736 -7.902 -9.429 1.00 1.14 H new ATOM 0 HA GLU A 86 8.626 -10.631 -8.842 1.00 1.12 H new ATOM 0 HB2 GLU A 86 8.939 -8.105 -7.621 1.00 1.04 H new ATOM 0 HB3 GLU A 86 7.846 -8.995 -6.579 1.00 1.04 H new ATOM 0 HG2 GLU A 86 10.262 -9.268 -5.992 1.00 1.04 H new ATOM 0 HG3 GLU A 86 9.425 -10.779 -6.284 1.00 1.04 H new ATOM 1410 N LEU A 87 5.644 -9.897 -9.039 1.00 1.19 N ATOM 1411 CA LEU A 87 4.343 -10.565 -9.012 1.00 1.27 C ATOM 1412 C LEU A 87 4.553 -12.024 -9.394 1.00 1.27 C ATOM 1413 O LEU A 87 3.720 -12.893 -9.139 1.00 1.30 O ATOM 1414 CB LEU A 87 3.330 -9.876 -9.948 1.00 1.38 C ATOM 1415 CG LEU A 87 3.790 -9.613 -11.394 1.00 1.41 C ATOM 1416 CD1 LEU A 87 3.823 -10.893 -12.219 1.00 1.84 C ATOM 1417 CD2 LEU A 87 2.882 -8.588 -12.051 1.00 1.96 C ATOM 0 H LEU A 87 5.723 -9.134 -9.711 1.00 1.19 H new ATOM 0 HA LEU A 87 3.919 -10.503 -8.010 1.00 1.27 H new ATOM 0 HB2 LEU A 87 2.429 -10.489 -9.984 1.00 1.38 H new ATOM 0 HB3 LEU A 87 3.049 -8.922 -9.502 1.00 1.38 H new ATOM 0 HG LEU A 87 4.807 -9.222 -11.353 1.00 1.41 H new ATOM 0 HD11 LEU A 87 4.153 -10.664 -13.233 1.00 1.84 H new ATOM 0 HD12 LEU A 87 4.515 -11.602 -11.764 1.00 1.84 H new ATOM 0 HD13 LEU A 87 2.825 -11.330 -12.252 1.00 1.84 H new ATOM 0 HD21 LEU A 87 3.215 -8.409 -13.073 1.00 1.96 H new ATOM 0 HD22 LEU A 87 1.859 -8.963 -12.064 1.00 1.96 H new ATOM 0 HD23 LEU A 87 2.919 -7.655 -11.488 1.00 1.96 H new ATOM 1429 N ASP A 88 5.695 -12.260 -10.021 1.00 1.29 N ATOM 1430 CA ASP A 88 6.164 -13.600 -10.317 1.00 1.35 C ATOM 1431 C ASP A 88 6.587 -14.314 -9.035 1.00 1.29 C ATOM 1432 O ASP A 88 6.028 -15.350 -8.678 1.00 1.39 O ATOM 1433 CB ASP A 88 7.341 -13.528 -11.293 1.00 1.38 C ATOM 1434 CG ASP A 88 7.939 -14.885 -11.601 1.00 1.49 C ATOM 1435 OD1 ASP A 88 8.833 -15.323 -10.855 1.00 1.54 O ATOM 1436 OD2 ASP A 88 7.509 -15.525 -12.583 1.00 1.59 O ATOM 0 H ASP A 88 6.324 -11.522 -10.339 1.00 1.29 H new ATOM 0 HA ASP A 88 5.352 -14.166 -10.773 1.00 1.35 H new ATOM 0 HB2 ASP A 88 7.008 -13.065 -12.222 1.00 1.38 H new ATOM 0 HB3 ASP A 88 8.114 -12.883 -10.875 1.00 1.38 H new ATOM 1441 N MET A 89 7.564 -13.744 -8.332 1.00 1.17 N ATOM 1442 CA MET A 89 8.139 -14.406 -7.166 1.00 1.16 C ATOM 1443 C MET A 89 7.538 -13.923 -5.846 1.00 1.14 C ATOM 1444 O MET A 89 6.986 -14.720 -5.096 1.00 1.25 O ATOM 1445 CB MET A 89 9.649 -14.183 -7.139 1.00 1.11 C ATOM 1446 CG MET A 89 10.311 -14.668 -5.858 1.00 1.13 C ATOM 1447 SD MET A 89 10.167 -16.453 -5.632 1.00 1.46 S ATOM 1448 CE MET A 89 11.107 -16.672 -4.122 1.00 2.17 C ATOM 0 H MET A 89 7.970 -12.834 -8.548 1.00 1.17 H new ATOM 0 HA MET A 89 7.905 -15.466 -7.261 1.00 1.16 H new ATOM 0 HB2 MET A 89 10.099 -14.697 -7.988 1.00 1.11 H new ATOM 0 HB3 MET A 89 9.854 -13.120 -7.264 1.00 1.11 H new ATOM 0 HG2 MET A 89 11.365 -14.392 -5.872 1.00 1.13 H new ATOM 0 HG3 MET A 89 9.859 -14.160 -5.006 1.00 1.13 H new ATOM 0 HE1 MET A 89 10.912 -17.663 -3.712 1.00 2.17 H new ATOM 0 HE2 MET A 89 12.171 -16.571 -4.338 1.00 2.17 H new ATOM 0 HE3 MET A 89 10.811 -15.915 -3.396 1.00 2.17 H new ATOM 1458 N ALA A 90 7.612 -12.621 -5.588 1.00 1.06 N ATOM 1459 CA ALA A 90 7.261 -12.061 -4.280 1.00 1.05 C ATOM 1460 C ALA A 90 5.816 -12.351 -3.906 1.00 1.12 C ATOM 1461 O ALA A 90 5.519 -12.678 -2.755 1.00 1.17 O ATOM 1462 CB ALA A 90 7.511 -10.563 -4.259 1.00 0.99 C ATOM 0 H ALA A 90 7.914 -11.926 -6.271 1.00 1.06 H new ATOM 0 HA ALA A 90 7.899 -12.544 -3.540 1.00 1.05 H new ATOM 0 HB1 ALA A 90 7.245 -10.163 -3.280 1.00 0.99 H new ATOM 0 HB2 ALA A 90 8.565 -10.367 -4.457 1.00 0.99 H new ATOM 0 HB3 ALA A 90 6.903 -10.082 -5.025 1.00 0.99 H new ATOM 1468 N GLN A 91 4.925 -12.232 -4.880 1.00 1.19 N ATOM 1469 CA GLN A 91 3.512 -12.503 -4.663 1.00 1.31 C ATOM 1470 C GLN A 91 3.301 -13.938 -4.167 1.00 1.46 C ATOM 1471 O GLN A 91 2.763 -14.166 -3.078 1.00 1.51 O ATOM 1472 CB GLN A 91 2.735 -12.258 -5.966 1.00 1.40 C ATOM 1473 CG GLN A 91 1.518 -13.155 -6.124 1.00 1.68 C ATOM 1474 CD GLN A 91 0.836 -13.020 -7.472 1.00 1.84 C ATOM 1475 OE1 GLN A 91 0.878 -11.969 -8.113 1.00 2.24 O ATOM 1476 NE2 GLN A 91 0.196 -14.091 -7.913 1.00 2.42 N ATOM 0 H GLN A 91 5.157 -11.948 -5.832 1.00 1.19 H new ATOM 0 HA GLN A 91 3.137 -11.828 -3.893 1.00 1.31 H new ATOM 0 HB2 GLN A 91 2.415 -11.216 -5.999 1.00 1.40 H new ATOM 0 HB3 GLN A 91 3.403 -12.413 -6.813 1.00 1.40 H new ATOM 0 HG2 GLN A 91 1.821 -14.192 -5.981 1.00 1.68 H new ATOM 0 HG3 GLN A 91 0.800 -12.921 -5.338 1.00 1.68 H new ATOM 0 HE21 GLN A 91 0.183 -14.944 -7.354 1.00 2.42 H new ATOM 0 HE22 GLN A 91 -0.285 -14.064 -8.812 1.00 2.42 H new ATOM 1485 N GLU A 92 3.761 -14.894 -4.961 1.00 1.57 N ATOM 1486 CA GLU A 92 3.608 -16.307 -4.649 1.00 1.80 C ATOM 1487 C GLU A 92 4.514 -16.764 -3.509 1.00 1.83 C ATOM 1488 O GLU A 92 4.288 -17.830 -2.935 1.00 2.04 O ATOM 1489 CB GLU A 92 3.852 -17.144 -5.894 1.00 1.91 C ATOM 1490 CG GLU A 92 2.954 -16.743 -7.046 1.00 1.96 C ATOM 1491 CD GLU A 92 2.746 -17.865 -8.037 1.00 2.13 C ATOM 1492 OE1 GLU A 92 1.960 -18.783 -7.733 1.00 2.44 O ATOM 1493 OE2 GLU A 92 3.361 -17.839 -9.120 1.00 2.12 O ATOM 0 H GLU A 92 4.250 -14.712 -5.838 1.00 1.57 H new ATOM 0 HA GLU A 92 2.583 -16.451 -4.307 1.00 1.80 H new ATOM 0 HB2 GLU A 92 4.894 -17.043 -6.197 1.00 1.91 H new ATOM 0 HB3 GLU A 92 3.689 -18.196 -5.659 1.00 1.91 H new ATOM 0 HG2 GLU A 92 1.988 -16.424 -6.655 1.00 1.96 H new ATOM 0 HG3 GLU A 92 3.389 -15.885 -7.559 1.00 1.96 H new ATOM 1500 N SER A 93 5.547 -15.980 -3.194 1.00 1.66 N ATOM 1501 CA SER A 93 6.442 -16.294 -2.077 1.00 1.77 C ATOM 1502 C SER A 93 5.670 -16.505 -0.777 1.00 1.87 C ATOM 1503 O SER A 93 6.188 -17.095 0.170 1.00 2.13 O ATOM 1504 CB SER A 93 7.481 -15.187 -1.882 1.00 1.65 C ATOM 1505 OG SER A 93 8.404 -15.161 -2.954 1.00 1.98 O ATOM 0 H SER A 93 5.785 -15.124 -3.695 1.00 1.66 H new ATOM 0 HA SER A 93 6.951 -17.224 -2.329 1.00 1.77 H new ATOM 0 HB2 SER A 93 6.979 -14.222 -1.806 1.00 1.65 H new ATOM 0 HB3 SER A 93 8.013 -15.344 -0.944 1.00 1.65 H new ATOM 0 HG SER A 93 7.918 -15.192 -3.805 1.00 1.98 H new ATOM 1511 N LYS A 94 4.439 -16.020 -0.721 1.00 1.73 N ATOM 1512 CA LYS A 94 3.584 -16.303 0.411 1.00 1.84 C ATOM 1513 C LYS A 94 2.171 -16.609 -0.048 1.00 1.75 C ATOM 1514 O LYS A 94 1.747 -17.763 -0.063 1.00 2.05 O ATOM 1515 CB LYS A 94 3.580 -15.147 1.409 1.00 1.74 C ATOM 1516 CG LYS A 94 2.960 -15.517 2.747 1.00 2.03 C ATOM 1517 CD LYS A 94 3.647 -16.728 3.361 1.00 2.19 C ATOM 1518 CE LYS A 94 3.063 -17.088 4.716 1.00 2.42 C ATOM 1519 NZ LYS A 94 3.748 -18.261 5.317 1.00 2.66 N ATOM 0 H LYS A 94 4.017 -15.434 -1.441 1.00 1.73 H new ATOM 0 HA LYS A 94 3.985 -17.182 0.916 1.00 1.84 H new ATOM 0 HB2 LYS A 94 4.604 -14.811 1.570 1.00 1.74 H new ATOM 0 HB3 LYS A 94 3.032 -14.307 0.981 1.00 1.74 H new ATOM 0 HG2 LYS A 94 3.032 -14.671 3.430 1.00 2.03 H new ATOM 0 HG3 LYS A 94 1.899 -15.728 2.612 1.00 2.03 H new ATOM 0 HD2 LYS A 94 3.551 -17.579 2.687 1.00 2.19 H new ATOM 0 HD3 LYS A 94 4.713 -16.525 3.468 1.00 2.19 H new ATOM 0 HE2 LYS A 94 3.149 -16.234 5.387 1.00 2.42 H new ATOM 0 HE3 LYS A 94 2.000 -17.304 4.608 1.00 2.42 H new ATOM 0 HZ1 LYS A 94 3.322 -18.476 6.241 1.00 2.66 H new ATOM 0 HZ2 LYS A 94 3.645 -19.083 4.688 1.00 2.66 H new ATOM 0 HZ3 LYS A 94 4.758 -18.046 5.443 1.00 2.66 H new ATOM 1533 N GLU A 95 1.453 -15.575 -0.443 1.00 1.51 N ATOM 1534 CA GLU A 95 0.052 -15.728 -0.797 1.00 1.57 C ATOM 1535 C GLU A 95 -0.407 -14.630 -1.752 1.00 1.40 C ATOM 1536 O GLU A 95 -0.591 -14.870 -2.944 1.00 1.80 O ATOM 1537 CB GLU A 95 -0.796 -15.710 0.477 1.00 1.57 C ATOM 1538 CG GLU A 95 -2.293 -15.787 0.237 1.00 1.70 C ATOM 1539 CD GLU A 95 -3.077 -15.540 1.505 1.00 2.39 C ATOM 1540 OE1 GLU A 95 -3.227 -14.364 1.889 1.00 3.16 O ATOM 1541 OE2 GLU A 95 -3.515 -16.521 2.141 1.00 2.68 O ATOM 0 H GLU A 95 1.813 -14.624 -0.527 1.00 1.51 H new ATOM 0 HA GLU A 95 -0.073 -16.682 -1.310 1.00 1.57 H new ATOM 0 HB2 GLU A 95 -0.498 -16.547 1.108 1.00 1.57 H new ATOM 0 HB3 GLU A 95 -0.576 -14.798 1.032 1.00 1.57 H new ATOM 0 HG2 GLU A 95 -2.579 -15.053 -0.516 1.00 1.70 H new ATOM 0 HG3 GLU A 95 -2.547 -16.769 -0.162 1.00 1.70 H new ATOM 1548 N LEU A 96 -0.574 -13.422 -1.225 1.00 1.13 N ATOM 1549 CA LEU A 96 -1.166 -12.338 -1.978 1.00 1.44 C ATOM 1550 C LEU A 96 -0.119 -11.524 -2.721 1.00 1.40 C ATOM 1551 O LEU A 96 -0.312 -11.160 -3.877 1.00 1.87 O ATOM 1552 CB LEU A 96 -1.909 -11.440 -1.001 1.00 1.74 C ATOM 1553 CG LEU A 96 -3.213 -12.018 -0.443 1.00 2.31 C ATOM 1554 CD1 LEU A 96 -3.854 -11.045 0.534 1.00 2.48 C ATOM 1555 CD2 LEU A 96 -4.177 -12.351 -1.574 1.00 3.10 C ATOM 0 H LEU A 96 -0.304 -13.174 -0.273 1.00 1.13 H new ATOM 0 HA LEU A 96 -1.841 -12.755 -2.725 1.00 1.44 H new ATOM 0 HB2 LEU A 96 -1.246 -11.211 -0.167 1.00 1.74 H new ATOM 0 HB3 LEU A 96 -2.133 -10.496 -1.498 1.00 1.74 H new ATOM 0 HG LEU A 96 -2.979 -12.938 0.092 1.00 2.31 H new ATOM 0 HD11 LEU A 96 -4.779 -11.473 0.920 1.00 2.48 H new ATOM 0 HD12 LEU A 96 -3.169 -10.856 1.361 1.00 2.48 H new ATOM 0 HD13 LEU A 96 -4.074 -10.108 0.023 1.00 2.48 H new ATOM 0 HD21 LEU A 96 -5.098 -12.760 -1.159 1.00 3.10 H new ATOM 0 HD22 LEU A 96 -4.404 -11.446 -2.137 1.00 3.10 H new ATOM 0 HD23 LEU A 96 -3.720 -13.086 -2.237 1.00 3.10 H new ATOM 1567 N GLY A 97 0.998 -11.270 -2.051 1.00 1.08 N ATOM 1568 CA GLY A 97 2.032 -10.414 -2.614 1.00 1.10 C ATOM 1569 C GLY A 97 1.533 -8.996 -2.890 1.00 1.06 C ATOM 1570 O GLY A 97 2.065 -8.310 -3.762 1.00 1.72 O ATOM 0 H GLY A 97 1.209 -11.641 -1.125 1.00 1.08 H new ATOM 0 HA2 GLY A 97 2.877 -10.371 -1.927 1.00 1.10 H new ATOM 0 HA3 GLY A 97 2.398 -10.854 -3.542 1.00 1.10 H new ATOM 1574 N ALA A 98 0.503 -8.583 -2.135 1.00 0.73 N ATOM 1575 CA ALA A 98 -0.111 -7.251 -2.234 1.00 0.65 C ATOM 1576 C ALA A 98 -1.040 -7.126 -3.444 1.00 0.67 C ATOM 1577 O ALA A 98 -1.133 -8.033 -4.266 1.00 0.82 O ATOM 1578 CB ALA A 98 0.931 -6.143 -2.232 1.00 0.85 C ATOM 0 H ALA A 98 0.067 -9.175 -1.428 1.00 0.73 H new ATOM 0 HA ALA A 98 -0.724 -7.132 -1.341 1.00 0.65 H new ATOM 0 HB1 ALA A 98 0.434 -5.176 -2.307 1.00 0.85 H new ATOM 0 HB2 ALA A 98 1.505 -6.185 -1.307 1.00 0.85 H new ATOM 0 HB3 ALA A 98 1.602 -6.273 -3.081 1.00 0.85 H new ATOM 1584 N LEU A 99 -1.744 -5.999 -3.518 1.00 0.60 N ATOM 1585 CA LEU A 99 -2.733 -5.766 -4.565 1.00 0.66 C ATOM 1586 C LEU A 99 -2.100 -5.169 -5.827 1.00 0.69 C ATOM 1587 O LEU A 99 -1.332 -5.833 -6.529 1.00 1.35 O ATOM 1588 CB LEU A 99 -3.856 -4.845 -4.059 1.00 0.68 C ATOM 1589 CG LEU A 99 -4.685 -5.375 -2.885 1.00 0.86 C ATOM 1590 CD1 LEU A 99 -5.774 -4.378 -2.510 1.00 1.34 C ATOM 1591 CD2 LEU A 99 -5.296 -6.724 -3.227 1.00 1.05 C ATOM 0 H LEU A 99 -1.646 -5.227 -2.859 1.00 0.60 H new ATOM 0 HA LEU A 99 -3.155 -6.736 -4.827 1.00 0.66 H new ATOM 0 HB2 LEU A 99 -3.413 -3.894 -3.764 1.00 0.68 H new ATOM 0 HB3 LEU A 99 -4.531 -4.638 -4.890 1.00 0.68 H new ATOM 0 HG LEU A 99 -4.023 -5.505 -2.029 1.00 0.86 H new ATOM 0 HD11 LEU A 99 -6.354 -4.770 -1.674 1.00 1.34 H new ATOM 0 HD12 LEU A 99 -5.317 -3.431 -2.222 1.00 1.34 H new ATOM 0 HD13 LEU A 99 -6.431 -4.219 -3.365 1.00 1.34 H new ATOM 0 HD21 LEU A 99 -5.881 -7.084 -2.380 1.00 1.05 H new ATOM 0 HD22 LEU A 99 -5.944 -6.620 -4.098 1.00 1.05 H new ATOM 0 HD23 LEU A 99 -4.502 -7.437 -3.449 1.00 1.05 H new ATOM 1603 N THR A 100 -2.423 -3.908 -6.111 1.00 0.95 N ATOM 1604 CA THR A 100 -1.925 -3.251 -7.309 1.00 1.06 C ATOM 1605 C THR A 100 -0.430 -2.978 -7.184 1.00 0.67 C ATOM 1606 O THR A 100 0.111 -2.909 -6.078 1.00 0.60 O ATOM 1607 CB THR A 100 -2.694 -1.942 -7.615 1.00 1.56 C ATOM 1608 OG1 THR A 100 -2.316 -1.443 -8.906 1.00 2.07 O ATOM 1609 CG2 THR A 100 -2.424 -0.876 -6.565 1.00 2.16 C ATOM 0 H THR A 100 -3.025 -3.327 -5.528 1.00 0.95 H new ATOM 0 HA THR A 100 -2.092 -3.928 -8.147 1.00 1.06 H new ATOM 0 HB THR A 100 -3.759 -2.173 -7.602 1.00 1.56 H new ATOM 0 HG1 THR A 100 -2.807 -0.616 -9.094 1.00 2.07 H new ATOM 0 HG21 THR A 100 -2.980 0.028 -6.813 1.00 2.16 H new ATOM 0 HG22 THR A 100 -2.740 -1.240 -5.587 1.00 2.16 H new ATOM 0 HG23 THR A 100 -1.358 -0.651 -6.541 1.00 2.16 H new ATOM 1617 N HIS A 101 0.226 -2.823 -8.327 1.00 0.68 N ATOM 1618 CA HIS A 101 1.681 -2.778 -8.369 1.00 0.87 C ATOM 1619 C HIS A 101 2.207 -1.907 -9.493 1.00 0.71 C ATOM 1620 O HIS A 101 1.543 -1.709 -10.510 1.00 1.08 O ATOM 1621 CB HIS A 101 2.265 -4.184 -8.504 1.00 1.65 C ATOM 1622 CG HIS A 101 1.442 -5.111 -9.357 1.00 2.50 C ATOM 1623 ND1 HIS A 101 0.528 -6.003 -8.829 1.00 3.21 N ATOM 1624 CD2 HIS A 101 1.378 -5.267 -10.701 1.00 3.16 C ATOM 1625 CE1 HIS A 101 -0.060 -6.661 -9.809 1.00 3.89 C ATOM 1626 NE2 HIS A 101 0.435 -6.234 -10.958 1.00 3.83 N ATOM 0 H HIS A 101 -0.226 -2.726 -9.236 1.00 0.68 H new ATOM 0 HA HIS A 101 1.999 -2.335 -7.425 1.00 0.87 H new ATOM 0 HB2 HIS A 101 3.267 -4.111 -8.928 1.00 1.65 H new ATOM 0 HB3 HIS A 101 2.370 -4.619 -7.510 1.00 1.65 H new ATOM 0 HD1 HIS A 101 0.338 -6.132 -7.835 1.00 3.21 H new ATOM 0 HD2 HIS A 101 1.960 -4.731 -11.435 1.00 3.16 H new ATOM 0 HE1 HIS A 101 -0.818 -7.421 -9.692 1.00 3.89 H new ATOM 1635 N PHE A 102 3.441 -1.455 -9.301 1.00 0.78 N ATOM 1636 CA PHE A 102 4.118 -0.539 -10.217 1.00 0.90 C ATOM 1637 C PHE A 102 5.450 -0.113 -9.595 1.00 0.85 C ATOM 1638 O PHE A 102 5.471 0.585 -8.584 1.00 0.97 O ATOM 1639 CB PHE A 102 3.249 0.696 -10.493 1.00 1.33 C ATOM 1640 CG PHE A 102 3.590 1.404 -11.774 1.00 1.91 C ATOM 1641 CD1 PHE A 102 3.317 0.825 -13.001 1.00 2.71 C ATOM 1642 CD2 PHE A 102 4.197 2.652 -11.749 1.00 2.47 C ATOM 1643 CE1 PHE A 102 3.639 1.474 -14.178 1.00 3.59 C ATOM 1644 CE2 PHE A 102 4.522 3.306 -12.922 1.00 3.31 C ATOM 1645 CZ PHE A 102 4.201 2.716 -14.150 1.00 3.75 C ATOM 0 H PHE A 102 4.008 -1.717 -8.495 1.00 0.78 H new ATOM 0 HA PHE A 102 4.295 -1.046 -11.166 1.00 0.90 H new ATOM 0 HB2 PHE A 102 2.203 0.393 -10.524 1.00 1.33 H new ATOM 0 HB3 PHE A 102 3.354 1.395 -9.663 1.00 1.33 H new ATOM 0 HD1 PHE A 102 2.846 -0.146 -13.039 1.00 2.71 H new ATOM 0 HD2 PHE A 102 4.418 3.118 -10.800 1.00 2.47 H new ATOM 0 HE1 PHE A 102 3.444 0.994 -15.126 1.00 3.59 H new ATOM 0 HE2 PHE A 102 5.019 4.264 -12.892 1.00 3.31 H new ATOM 0 HZ PHE A 102 4.398 3.243 -15.072 1.00 3.75 H new ATOM 1655 N ALA A 103 6.555 -0.555 -10.184 1.00 0.85 N ATOM 1656 CA ALA A 103 7.878 -0.314 -9.609 1.00 0.92 C ATOM 1657 C ALA A 103 8.520 0.949 -10.162 1.00 1.01 C ATOM 1658 O ALA A 103 9.652 1.282 -9.818 1.00 1.27 O ATOM 1659 CB ALA A 103 8.776 -1.498 -9.885 1.00 1.00 C ATOM 0 H ALA A 103 6.564 -1.081 -11.058 1.00 0.85 H new ATOM 0 HA ALA A 103 7.750 -0.179 -8.535 1.00 0.92 H new ATOM 0 HB1 ALA A 103 9.761 -1.316 -9.455 1.00 1.00 H new ATOM 0 HB2 ALA A 103 8.345 -2.394 -9.437 1.00 1.00 H new ATOM 0 HB3 ALA A 103 8.870 -1.640 -10.962 1.00 1.00 H new ATOM 1733 N ILE A 108 1.612 11.061 -8.286 1.00 1.00 N ATOM 1734 CA ILE A 108 0.822 11.051 -7.055 1.00 0.93 C ATOM 1735 C ILE A 108 -0.675 11.162 -7.348 1.00 0.89 C ATOM 1736 O ILE A 108 -1.489 10.500 -6.701 1.00 0.79 O ATOM 1737 CB ILE A 108 1.245 12.168 -6.063 1.00 1.00 C ATOM 1738 CG1 ILE A 108 0.930 13.579 -6.598 1.00 0.97 C ATOM 1739 CG2 ILE A 108 2.725 12.035 -5.736 1.00 1.25 C ATOM 1740 CD1 ILE A 108 1.811 14.043 -7.742 1.00 1.29 C ATOM 0 HA ILE A 108 1.022 10.090 -6.581 1.00 0.93 H new ATOM 0 HB ILE A 108 0.659 12.040 -5.153 1.00 1.00 H new ATOM 0 HG12 ILE A 108 -0.109 13.603 -6.927 1.00 0.97 H new ATOM 0 HG13 ILE A 108 1.021 14.291 -5.778 1.00 0.97 H new ATOM 0 HG21 ILE A 108 3.016 12.821 -5.040 1.00 1.25 H new ATOM 0 HG22 ILE A 108 2.911 11.062 -5.282 1.00 1.25 H new ATOM 0 HG23 ILE A 108 3.310 12.127 -6.651 1.00 1.25 H new ATOM 0 HD11 ILE A 108 1.512 15.045 -8.048 1.00 1.29 H new ATOM 0 HD12 ILE A 108 2.851 14.058 -7.417 1.00 1.29 H new ATOM 0 HD13 ILE A 108 1.704 13.359 -8.584 1.00 1.29 H new ATOM 1752 N ASP A 109 -1.034 11.965 -8.345 1.00 1.01 N ATOM 1753 CA ASP A 109 -2.428 12.115 -8.734 1.00 1.07 C ATOM 1754 C ASP A 109 -3.008 10.776 -9.143 1.00 1.02 C ATOM 1755 O ASP A 109 -4.138 10.447 -8.787 1.00 1.00 O ATOM 1756 CB ASP A 109 -2.570 13.108 -9.883 1.00 1.27 C ATOM 1757 CG ASP A 109 -2.689 14.541 -9.411 1.00 1.57 C ATOM 1758 OD1 ASP A 109 -1.651 15.189 -9.174 1.00 1.84 O ATOM 1759 OD2 ASP A 109 -3.833 15.027 -9.282 1.00 1.92 O ATOM 0 H ASP A 109 -0.379 12.520 -8.896 1.00 1.01 H new ATOM 0 HA ASP A 109 -2.977 12.497 -7.873 1.00 1.07 H new ATOM 0 HB2 ASP A 109 -1.707 13.018 -10.543 1.00 1.27 H new ATOM 0 HB3 ASP A 109 -3.450 12.851 -10.472 1.00 1.27 H new ATOM 1764 N GLU A 110 -2.215 9.999 -9.869 1.00 1.04 N ATOM 1765 CA GLU A 110 -2.631 8.674 -10.289 1.00 1.04 C ATOM 1766 C GLU A 110 -2.806 7.754 -9.083 1.00 0.93 C ATOM 1767 O GLU A 110 -3.646 6.869 -9.107 1.00 0.95 O ATOM 1768 CB GLU A 110 -1.616 8.076 -11.265 1.00 1.14 C ATOM 1769 CG GLU A 110 -2.046 6.742 -11.865 1.00 1.12 C ATOM 1770 CD GLU A 110 -3.303 6.855 -12.711 1.00 1.57 C ATOM 1771 OE1 GLU A 110 -3.320 7.650 -13.678 1.00 2.06 O ATOM 1772 OE2 GLU A 110 -4.288 6.147 -12.408 1.00 2.07 O ATOM 0 H GLU A 110 -1.280 10.267 -10.178 1.00 1.04 H new ATOM 0 HA GLU A 110 -3.591 8.766 -10.796 1.00 1.04 H new ATOM 0 HB2 GLU A 110 -1.441 8.787 -12.073 1.00 1.14 H new ATOM 0 HB3 GLU A 110 -0.666 7.941 -10.748 1.00 1.14 H new ATOM 0 HG2 GLU A 110 -1.236 6.346 -12.477 1.00 1.12 H new ATOM 0 HG3 GLU A 110 -2.217 6.026 -11.061 1.00 1.12 H new ATOM 1779 N ILE A 111 -2.041 7.981 -8.015 1.00 0.83 N ATOM 1780 CA ILE A 111 -2.118 7.108 -6.852 1.00 0.75 C ATOM 1781 C ILE A 111 -3.385 7.403 -6.052 1.00 0.70 C ATOM 1782 O ILE A 111 -4.052 6.484 -5.576 1.00 0.71 O ATOM 1783 CB ILE A 111 -0.848 7.209 -5.958 1.00 0.76 C ATOM 1784 CG1 ILE A 111 -0.328 5.804 -5.629 1.00 1.24 C ATOM 1785 CG2 ILE A 111 -1.100 7.991 -4.670 1.00 0.75 C ATOM 1786 CD1 ILE A 111 -1.287 4.959 -4.812 1.00 1.61 C ATOM 0 H ILE A 111 -1.374 8.748 -7.934 1.00 0.83 H new ATOM 0 HA ILE A 111 -2.165 6.080 -7.211 1.00 0.75 H new ATOM 0 HB ILE A 111 -0.096 7.759 -6.524 1.00 0.76 H new ATOM 0 HG12 ILE A 111 -0.107 5.284 -6.561 1.00 1.24 H new ATOM 0 HG13 ILE A 111 0.612 5.895 -5.084 1.00 1.24 H new ATOM 0 HG21 ILE A 111 -0.182 8.031 -4.083 1.00 0.75 H new ATOM 0 HG22 ILE A 111 -1.418 9.004 -4.916 1.00 0.75 H new ATOM 0 HG23 ILE A 111 -1.879 7.496 -4.091 1.00 0.75 H new ATOM 0 HD11 ILE A 111 -0.842 3.982 -4.624 1.00 1.61 H new ATOM 0 HD12 ILE A 111 -1.490 5.454 -3.862 1.00 1.61 H new ATOM 0 HD13 ILE A 111 -2.220 4.833 -5.362 1.00 1.61 H new ATOM 1798 N ARG A 112 -3.744 8.682 -5.934 1.00 0.72 N ATOM 1799 CA ARG A 112 -4.961 9.042 -5.222 1.00 0.75 C ATOM 1800 C ARG A 112 -6.175 8.701 -6.065 1.00 0.81 C ATOM 1801 O ARG A 112 -7.216 8.297 -5.544 1.00 0.85 O ATOM 1802 CB ARG A 112 -4.977 10.519 -4.794 1.00 0.85 C ATOM 1803 CG ARG A 112 -4.833 11.540 -5.905 1.00 1.09 C ATOM 1804 CD ARG A 112 -4.816 12.935 -5.308 1.00 1.50 C ATOM 1805 NE ARG A 112 -4.456 13.975 -6.270 1.00 1.51 N ATOM 1806 CZ ARG A 112 -4.307 15.263 -5.944 1.00 1.75 C ATOM 1807 NH1 ARG A 112 -4.527 15.664 -4.698 1.00 2.13 N ATOM 1808 NH2 ARG A 112 -3.946 16.148 -6.862 1.00 2.25 N ATOM 0 H ARG A 112 -3.219 9.469 -6.315 1.00 0.72 H new ATOM 0 HA ARG A 112 -4.992 8.457 -4.303 1.00 0.75 H new ATOM 0 HB2 ARG A 112 -5.912 10.713 -4.269 1.00 0.85 H new ATOM 0 HB3 ARG A 112 -4.171 10.677 -4.077 1.00 0.85 H new ATOM 0 HG2 ARG A 112 -3.914 11.360 -6.463 1.00 1.09 H new ATOM 0 HG3 ARG A 112 -5.658 11.445 -6.611 1.00 1.09 H new ATOM 0 HD2 ARG A 112 -5.800 13.157 -4.895 1.00 1.50 H new ATOM 0 HD3 ARG A 112 -4.110 12.958 -4.478 1.00 1.50 H new ATOM 0 HE ARG A 112 -4.311 13.703 -7.242 1.00 1.51 H new ATOM 0 HH11 ARG A 112 -4.810 14.989 -3.988 1.00 2.13 H new ATOM 0 HH12 ARG A 112 -4.413 16.647 -4.451 1.00 2.13 H new ATOM 0 HH21 ARG A 112 -3.780 15.848 -7.823 1.00 2.25 H new ATOM 0 HH22 ARG A 112 -3.834 17.129 -6.608 1.00 2.25 H new ATOM 1822 N ASP A 113 -6.027 8.826 -7.375 1.00 0.86 N ATOM 1823 CA ASP A 113 -7.077 8.425 -8.285 1.00 0.94 C ATOM 1824 C ASP A 113 -7.236 6.912 -8.262 1.00 0.93 C ATOM 1825 O ASP A 113 -8.342 6.412 -8.192 1.00 0.98 O ATOM 1826 CB ASP A 113 -6.782 8.907 -9.704 1.00 1.05 C ATOM 1827 CG ASP A 113 -7.811 8.427 -10.707 1.00 1.17 C ATOM 1828 OD1 ASP A 113 -9.016 8.696 -10.512 1.00 1.32 O ATOM 1829 OD2 ASP A 113 -7.422 7.773 -11.696 1.00 1.23 O ATOM 0 H ASP A 113 -5.192 9.201 -7.826 1.00 0.86 H new ATOM 0 HA ASP A 113 -8.010 8.885 -7.959 1.00 0.94 H new ATOM 0 HB2 ASP A 113 -6.750 9.996 -9.715 1.00 1.05 H new ATOM 0 HB3 ASP A 113 -5.795 8.556 -10.005 1.00 1.05 H new ATOM 1834 N ALA A 114 -6.123 6.189 -8.279 1.00 0.92 N ATOM 1835 CA ALA A 114 -6.155 4.731 -8.313 1.00 0.95 C ATOM 1836 C ALA A 114 -6.649 4.133 -7.002 1.00 0.91 C ATOM 1837 O ALA A 114 -7.216 3.047 -6.999 1.00 0.95 O ATOM 1838 CB ALA A 114 -4.782 4.177 -8.649 1.00 1.03 C ATOM 0 H ALA A 114 -5.185 6.589 -8.270 1.00 0.92 H new ATOM 0 HA ALA A 114 -6.863 4.447 -9.092 1.00 0.95 H new ATOM 0 HB1 ALA A 114 -4.824 3.088 -8.670 1.00 1.03 H new ATOM 0 HB2 ALA A 114 -4.469 4.547 -9.625 1.00 1.03 H new ATOM 0 HB3 ALA A 114 -4.065 4.498 -7.893 1.00 1.03 H new ATOM 1844 N VAL A 115 -6.426 4.821 -5.890 1.00 0.89 N ATOM 1845 CA VAL A 115 -6.915 4.333 -4.605 1.00 1.01 C ATOM 1846 C VAL A 115 -8.402 4.665 -4.429 1.00 1.06 C ATOM 1847 O VAL A 115 -9.150 3.896 -3.825 1.00 1.17 O ATOM 1848 CB VAL A 115 -6.090 4.879 -3.410 1.00 1.14 C ATOM 1849 CG1 VAL A 115 -6.296 6.373 -3.215 1.00 1.83 C ATOM 1850 CG2 VAL A 115 -6.419 4.117 -2.133 1.00 1.13 C ATOM 0 H VAL A 115 -5.918 5.705 -5.849 1.00 0.89 H new ATOM 0 HA VAL A 115 -6.792 3.250 -4.610 1.00 1.01 H new ATOM 0 HB VAL A 115 -5.037 4.724 -3.644 1.00 1.14 H new ATOM 0 HG11 VAL A 115 -5.701 6.715 -2.368 1.00 1.83 H new ATOM 0 HG12 VAL A 115 -5.985 6.904 -4.115 1.00 1.83 H new ATOM 0 HG13 VAL A 115 -7.350 6.573 -3.022 1.00 1.83 H new ATOM 0 HG21 VAL A 115 -5.829 4.517 -1.308 1.00 1.13 H new ATOM 0 HG22 VAL A 115 -7.480 4.227 -1.907 1.00 1.13 H new ATOM 0 HG23 VAL A 115 -6.184 3.061 -2.269 1.00 1.13 H new ATOM 1860 N LYS A 116 -8.827 5.799 -4.979 1.00 1.06 N ATOM 1861 CA LYS A 116 -10.234 6.194 -4.932 1.00 1.22 C ATOM 1862 C LYS A 116 -11.032 5.393 -5.964 1.00 1.24 C ATOM 1863 O LYS A 116 -12.203 5.069 -5.769 1.00 1.48 O ATOM 1864 CB LYS A 116 -10.354 7.694 -5.210 1.00 1.30 C ATOM 1865 CG LYS A 116 -11.683 8.299 -4.789 1.00 2.03 C ATOM 1866 CD LYS A 116 -11.750 9.778 -5.140 1.00 2.39 C ATOM 1867 CE LYS A 116 -12.971 10.448 -4.530 1.00 3.01 C ATOM 1868 NZ LYS A 116 -12.880 10.530 -3.047 1.00 3.72 N ATOM 0 H LYS A 116 -8.219 6.461 -5.462 1.00 1.06 H new ATOM 0 HA LYS A 116 -10.638 5.986 -3.942 1.00 1.22 H new ATOM 0 HB2 LYS A 116 -9.549 8.214 -4.690 1.00 1.30 H new ATOM 0 HB3 LYS A 116 -10.210 7.868 -6.276 1.00 1.30 H new ATOM 0 HG2 LYS A 116 -12.499 7.769 -5.280 1.00 2.03 H new ATOM 0 HG3 LYS A 116 -11.820 8.171 -3.715 1.00 2.03 H new ATOM 0 HD2 LYS A 116 -10.847 10.277 -4.787 1.00 2.39 H new ATOM 0 HD3 LYS A 116 -11.775 9.894 -6.224 1.00 2.39 H new ATOM 0 HE2 LYS A 116 -13.078 11.451 -4.943 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -13.866 9.892 -4.808 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -13.588 11.204 -2.692 1.00 3.72 H new ATOM 0 HZ2 LYS A 116 -13.059 9.592 -2.636 1.00 3.72 H new ATOM 0 HZ3 LYS A 116 -11.929 10.852 -2.775 1.00 3.72 H new ATOM 1882 N LYS A 117 -10.367 5.089 -7.065 1.00 1.07 N ATOM 1883 CA LYS A 117 -10.910 4.260 -8.136 1.00 1.13 C ATOM 1884 C LYS A 117 -10.786 2.785 -7.763 1.00 1.02 C ATOM 1885 O LYS A 117 -11.546 1.938 -8.229 1.00 1.07 O ATOM 1886 CB LYS A 117 -10.133 4.585 -9.416 1.00 1.24 C ATOM 1887 CG LYS A 117 -10.387 3.689 -10.610 1.00 1.58 C ATOM 1888 CD LYS A 117 -9.613 4.201 -11.818 1.00 2.03 C ATOM 1889 CE LYS A 117 -8.121 4.314 -11.527 1.00 2.71 C ATOM 1890 NZ LYS A 117 -7.428 5.234 -12.473 1.00 3.47 N ATOM 0 H LYS A 117 -9.418 5.415 -7.246 1.00 1.07 H new ATOM 0 HA LYS A 117 -11.969 4.465 -8.294 1.00 1.13 H new ATOM 0 HB2 LYS A 117 -10.365 5.610 -9.704 1.00 1.24 H new ATOM 0 HB3 LYS A 117 -9.068 4.552 -9.186 1.00 1.24 H new ATOM 0 HG2 LYS A 117 -10.084 2.668 -10.380 1.00 1.58 H new ATOM 0 HG3 LYS A 117 -11.453 3.662 -10.835 1.00 1.58 H new ATOM 0 HD2 LYS A 117 -9.769 3.529 -12.662 1.00 2.03 H new ATOM 0 HD3 LYS A 117 -10.001 5.176 -12.112 1.00 2.03 H new ATOM 0 HE2 LYS A 117 -7.978 4.670 -10.507 1.00 2.71 H new ATOM 0 HE3 LYS A 117 -7.666 3.325 -11.586 1.00 2.71 H new ATOM 0 HZ1 LYS A 117 -6.510 4.826 -12.744 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -8.014 5.364 -13.323 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -7.276 6.154 -12.013 1.00 3.47 H new ATOM 1904 N TYR A 118 -9.814 2.516 -6.901 1.00 0.95 N ATOM 1905 CA TYR A 118 -9.526 1.185 -6.377 1.00 0.95 C ATOM 1906 C TYR A 118 -9.176 0.203 -7.485 1.00 1.19 C ATOM 1907 O TYR A 118 -10.042 -0.481 -8.033 1.00 1.58 O ATOM 1908 CB TYR A 118 -10.679 0.642 -5.535 1.00 1.75 C ATOM 1909 CG TYR A 118 -10.200 -0.165 -4.348 1.00 1.89 C ATOM 1910 CD1 TYR A 118 -9.488 -1.351 -4.517 1.00 1.87 C ATOM 1911 CD2 TYR A 118 -10.436 0.278 -3.056 1.00 2.44 C ATOM 1912 CE1 TYR A 118 -9.033 -2.071 -3.428 1.00 2.31 C ATOM 1913 CE2 TYR A 118 -9.982 -0.432 -1.965 1.00 2.86 C ATOM 1914 CZ TYR A 118 -9.282 -1.603 -2.155 1.00 2.77 C ATOM 1915 OH TYR A 118 -8.832 -2.309 -1.070 1.00 3.35 O ATOM 0 H TYR A 118 -9.188 3.234 -6.537 1.00 0.95 H new ATOM 0 HA TYR A 118 -8.655 1.292 -5.730 1.00 0.95 H new ATOM 0 HB2 TYR A 118 -11.290 1.473 -5.182 1.00 1.75 H new ATOM 0 HB3 TYR A 118 -11.319 0.019 -6.160 1.00 1.75 H new ATOM 0 HD1 TYR A 118 -9.288 -1.713 -5.515 1.00 1.87 H new ATOM 0 HD2 TYR A 118 -10.985 1.195 -2.901 1.00 2.44 H new ATOM 0 HE1 TYR A 118 -8.487 -2.992 -3.573 1.00 2.31 H new ATOM 0 HE2 TYR A 118 -10.174 -0.072 -0.965 1.00 2.86 H new ATOM 0 HH TYR A 118 -8.012 -2.790 -1.310 1.00 3.35 H new