USER MOD reduce.3.24.130724 H: found=0, std=0, add=1425, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1426 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 49 LYS NZ :NH3+ 150:sc= 2.48 (180deg=1.2) USER MOD Set 1.2: A 176 GLN : amide:sc= 0.517 K(o=3,f=-6.2) USER MOD Set 2.1: A 166 MET CE :methyl 162:sc= 0 (180deg=-0.543) USER MOD Set 2.2: A 181 THR OG1 : rot 74:sc= 1.22 USER MOD Set 3.1: A 10 THR OG1 : rot 119:sc= 0.783 USER MOD Set 3.2: A 160 GLN : amide:sc= 0.655 K(o=1.4,f=-1.3!) USER MOD Set 4.1: A 156 ASN : amide:sc= 0.981 K(o=2,f=-11!) USER MOD Set 4.2: A 158 LYS NZ :NH3+ 135:sc= 1.02 (180deg=-0.241) USER MOD Set 5.1: A 27 SER OG : rot 65:sc= 1.26 USER MOD Set 5.2: A 60 HIS : no HE2:sc= -0.408 K(o=2.3,f=-11!) USER MOD Set 5.3: A 62 ASN : amide:sc= -0.879 K(o=2.3,f=-3.5!) USER MOD Set 5.4: A 73 THR OG1 : rot 163:sc= 2.29 USER MOD Set 6.1: A 59 TYR OH : rot 130:sc= 0.995 USER MOD Set 6.2: A 137 GLN : amide:sc= 1.18 K(o=2.2,f=1.2) USER MOD Set 7.1: A 43 SER OG : rot -105:sc= 0.316! USER MOD Set 7.2: A 58 LYS NZ :NH3+ -155:sc= 1.05! (180deg=0.362) USER MOD Set 8.1: A 56 MET CE :methyl -114:sc= -0.835 (180deg=-0.977) USER MOD Set 8.2: A 153 MET CE :methyl -129:sc= -0.349 (180deg=-2.17) USER MOD Single : A 3 TYR OH : rot -140:sc= -0.937 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.432 K(o=0.43,f=-8!) USER MOD Single : A 9 TYR OH : rot 19:sc= 0.76 USER MOD Single : A 11 THR OG1 : rot 70:sc= 1.17 USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= 1.81 (180deg=1.09) USER MOD Single : A 21 GLN : amide:sc= -0.435 K(o=-0.44,f=-1.1) USER MOD Single : A 30 CYS SG : rot 80:sc= -3.54! USER MOD Single : A 32 HIS : no HD1:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 33 CYS SG : rot -90:sc= -0.297 USER MOD Single : A 34 TYR OH : rot 72:sc= -0.565 USER MOD Single : A 35 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.027) USER MOD Single : A 41 HIS : no HE2:sc= 0.941 K(o=0.94,f=-5.5!) USER MOD Single : A 45 ASN : amide:sc= 1.13 K(o=1.1,f=-0.013) USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.16) USER MOD Single : A 48 LYS NZ :NH3+ -123:sc= 1.05 (180deg=-1.57!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 51:sc= 0.717 USER MOD Single : A 64 MET CE :methyl 175:sc=-0.00962 (180deg=-0.0777) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 1.37 (180deg=1.08) USER MOD Single : A 74 GLN : amide:sc= -0.0272 K(o=-0.027,f=-1.3!) USER MOD Single : A 80 MET CE :methyl -150:sc= -0.369 (180deg=-2.51!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 67:sc= 1.28 USER MOD Single : A 97 GLN : amide:sc= 0.635 K(o=0.64,f=-5.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 104 SER OG : rot -35:sc= 1.21 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot -102:sc= 0.165 USER MOD Single : A 127 ASN : amide:sc= 1.23 K(o=1.2,f=-0.026) USER MOD Single : A 128 SER OG : rot 64:sc= 1.28 USER MOD Single : A 132 LYS NZ :NH3+ -159:sc= 0.572 (180deg=0.412) USER MOD Single : A 133 SER OG : rot 70:sc= 1.06 USER MOD Single : A 138 GLN : amide:sc= -0.8 K(o=-0.8,f=-6!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.4!) USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 ASN : amide:sc= 0.0687 K(o=0.069,f=-4.1!) USER MOD Single : A 164 GLN : amide:sc= -0.135 K(o=-0.14,f=-0.87) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0.0473 USER MOD Single : A 169 SER OG : rot 96:sc= 1.24 USER MOD Single : A 170 ASN : amide:sc= -0.694 K(o=-0.69,f=-6.4!) USER MOD Single : A 171 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 177 GLN :FLIP amide:sc= -0.202 F(o=-1.1,f=-0.2) USER MOD Single : A 178 TYR OH : rot 180:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ 175:sc= 1.16 (180deg=1.07) USER MOD Single : A 184 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot 6:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 30 N TYR A 3 22.873 -1.535 2.810 1.00 0.86 N ATOM 31 CA TYR A 3 21.869 -0.761 2.088 1.00 0.85 C ATOM 32 C TYR A 3 22.530 0.333 1.249 1.00 0.84 C ATOM 33 O TYR A 3 22.933 1.374 1.772 1.00 0.97 O ATOM 34 CB TYR A 3 20.866 -0.145 3.074 1.00 0.91 C ATOM 35 CG TYR A 3 20.388 -1.111 4.136 1.00 0.93 C ATOM 36 CD1 TYR A 3 19.550 -2.168 3.808 1.00 1.08 C ATOM 37 CD2 TYR A 3 20.785 -0.972 5.459 1.00 0.96 C ATOM 38 CE1 TYR A 3 19.120 -3.063 4.770 1.00 1.18 C ATOM 39 CE2 TYR A 3 20.356 -1.860 6.429 1.00 1.07 C ATOM 40 CZ TYR A 3 19.525 -2.908 6.080 1.00 1.15 C ATOM 41 OH TYR A 3 19.107 -3.809 7.040 1.00 1.32 O ATOM 0 HA TYR A 3 21.334 -1.431 1.415 1.00 0.85 H new ATOM 0 HB2 TYR A 3 21.328 0.715 3.559 1.00 0.91 H new ATOM 0 HB3 TYR A 3 20.005 0.226 2.519 1.00 0.91 H new ATOM 0 HD1 TYR A 3 19.229 -2.293 2.785 1.00 1.08 H new ATOM 0 HD2 TYR A 3 21.439 -0.158 5.735 1.00 0.96 H new ATOM 0 HE1 TYR A 3 18.469 -3.881 4.497 1.00 1.18 H new ATOM 0 HE2 TYR A 3 20.669 -1.735 7.455 1.00 1.07 H new ATOM 0 HH TYR A 3 18.894 -3.330 7.868 1.00 1.32 H new ATOM 51 N GLU A 4 22.627 0.099 -0.050 1.00 0.79 N ATOM 52 CA GLU A 4 23.257 1.047 -0.960 1.00 0.81 C ATOM 53 C GLU A 4 22.267 1.526 -2.021 1.00 0.74 C ATOM 54 O GLU A 4 21.357 0.788 -2.414 1.00 0.72 O ATOM 55 CB GLU A 4 24.461 0.388 -1.643 1.00 0.88 C ATOM 56 CG GLU A 4 25.337 -0.416 -0.694 1.00 1.10 C ATOM 57 CD GLU A 4 26.323 -1.311 -1.418 1.00 1.60 C ATOM 58 OE1 GLU A 4 25.888 -2.315 -2.020 1.00 2.08 O1- ATOM 59 OE2 GLU A 4 27.536 -1.009 -1.396 1.00 2.29 O ATOM 0 H GLU A 4 22.275 -0.745 -0.502 1.00 0.79 H new ATOM 0 HA GLU A 4 23.588 1.909 -0.381 1.00 0.81 H new ATOM 0 HB2 GLU A 4 24.103 -0.268 -2.437 1.00 0.88 H new ATOM 0 HB3 GLU A 4 25.067 1.161 -2.116 1.00 0.88 H new ATOM 0 HG2 GLU A 4 25.884 0.268 -0.045 1.00 1.10 H new ATOM 0 HG3 GLU A 4 24.703 -1.027 -0.052 1.00 1.10 H new ATOM 66 N ASP A 5 22.442 2.769 -2.461 1.00 0.74 N ATOM 67 CA ASP A 5 21.585 3.354 -3.486 1.00 0.71 C ATOM 68 C ASP A 5 21.859 2.687 -4.825 1.00 0.71 C ATOM 69 O ASP A 5 23.011 2.552 -5.238 1.00 0.77 O ATOM 70 CB ASP A 5 21.811 4.867 -3.593 1.00 0.74 C ATOM 71 CG ASP A 5 21.003 5.508 -4.713 1.00 1.14 C ATOM 72 OD1 ASP A 5 19.804 5.799 -4.507 1.00 1.83 O ATOM 73 OD2 ASP A 5 21.573 5.738 -5.802 1.00 1.76 O1- ATOM 0 H ASP A 5 23.174 3.393 -2.121 1.00 0.74 H new ATOM 0 HA ASP A 5 20.545 3.187 -3.205 1.00 0.71 H new ATOM 0 HB2 ASP A 5 21.546 5.337 -2.646 1.00 0.74 H new ATOM 0 HB3 ASP A 5 22.871 5.060 -3.760 1.00 0.74 H new ATOM 78 N GLY A 6 20.799 2.262 -5.482 1.00 0.68 N ATOM 79 CA GLY A 6 20.931 1.587 -6.753 1.00 0.70 C ATOM 80 C GLY A 6 20.718 0.101 -6.594 1.00 0.71 C ATOM 81 O GLY A 6 20.407 -0.601 -7.555 1.00 0.78 O ATOM 0 H GLY A 6 19.839 2.373 -5.156 1.00 0.68 H new ATOM 0 HA2 GLY A 6 20.206 1.989 -7.461 1.00 0.70 H new ATOM 0 HA3 GLY A 6 21.921 1.775 -7.169 1.00 0.70 H new ATOM 85 N LYS A 7 20.879 -0.377 -5.365 1.00 0.69 N ATOM 86 CA LYS A 7 20.711 -1.787 -5.064 1.00 0.71 C ATOM 87 C LYS A 7 19.397 -2.031 -4.320 1.00 0.64 C ATOM 88 O LYS A 7 18.420 -2.473 -4.917 1.00 0.62 O ATOM 89 CB LYS A 7 21.900 -2.297 -4.243 1.00 0.80 C ATOM 90 CG LYS A 7 21.921 -3.808 -4.070 1.00 0.86 C ATOM 91 CD LYS A 7 22.501 -4.514 -5.286 1.00 1.04 C ATOM 92 CE LYS A 7 22.326 -6.023 -5.193 1.00 1.23 C ATOM 93 NZ LYS A 7 23.130 -6.741 -6.219 1.00 1.87 N1+ ATOM 0 H LYS A 7 21.127 0.198 -4.560 1.00 0.69 H new ATOM 0 HA LYS A 7 20.673 -2.339 -6.003 1.00 0.71 H new ATOM 0 HB2 LYS A 7 22.825 -1.983 -4.726 1.00 0.80 H new ATOM 0 HB3 LYS A 7 21.879 -1.828 -3.259 1.00 0.80 H new ATOM 0 HG2 LYS A 7 22.509 -4.064 -3.188 1.00 0.86 H new ATOM 0 HG3 LYS A 7 20.907 -4.166 -3.892 1.00 0.86 H new ATOM 0 HD2 LYS A 7 22.014 -4.145 -6.189 1.00 1.04 H new ATOM 0 HD3 LYS A 7 23.561 -4.275 -5.376 1.00 1.04 H new ATOM 0 HE2 LYS A 7 22.620 -6.362 -4.200 1.00 1.23 H new ATOM 0 HE3 LYS A 7 21.273 -6.274 -5.317 1.00 1.23 H new ATOM 0 HZ1 LYS A 7 22.982 -7.766 -6.121 1.00 1.87 H new ATOM 0 HZ2 LYS A 7 22.832 -6.437 -7.168 1.00 1.87 H new ATOM 0 HZ3 LYS A 7 24.138 -6.522 -6.086 1.00 1.87 H new ATOM 107 N GLN A 8 19.373 -1.720 -3.025 1.00 0.66 N ATOM 108 CA GLN A 8 18.178 -1.927 -2.207 1.00 0.62 C ATOM 109 C GLN A 8 17.163 -0.807 -2.408 1.00 0.56 C ATOM 110 O GLN A 8 15.954 -1.039 -2.383 1.00 0.53 O ATOM 111 CB GLN A 8 18.544 -2.008 -0.723 1.00 0.68 C ATOM 112 CG GLN A 8 19.277 -3.279 -0.324 1.00 0.78 C ATOM 113 CD GLN A 8 20.745 -3.256 -0.705 1.00 1.02 C ATOM 114 OE1 GLN A 8 21.348 -2.190 -0.855 1.00 1.46 O ATOM 115 NE2 GLN A 8 21.338 -4.429 -0.863 1.00 1.15 N ATOM 0 H GLN A 8 20.166 -1.324 -2.520 1.00 0.66 H new ATOM 0 HA GLN A 8 17.731 -2.869 -2.526 1.00 0.62 H new ATOM 0 HB2 GLN A 8 19.165 -1.150 -0.467 1.00 0.68 H new ATOM 0 HB3 GLN A 8 17.632 -1.929 -0.132 1.00 0.68 H new ATOM 0 HG2 GLN A 8 19.188 -3.421 0.753 1.00 0.78 H new ATOM 0 HG3 GLN A 8 18.797 -4.134 -0.799 1.00 0.78 H new ATOM 0 HE21 GLN A 8 20.808 -5.290 -0.731 1.00 1.15 H new ATOM 0 HE22 GLN A 8 22.325 -4.471 -1.117 1.00 1.15 H new ATOM 124 N TYR A 9 17.658 0.403 -2.607 1.00 0.57 N ATOM 125 CA TYR A 9 16.791 1.555 -2.792 1.00 0.54 C ATOM 126 C TYR A 9 17.350 2.483 -3.855 1.00 0.55 C ATOM 127 O TYR A 9 18.547 2.475 -4.124 1.00 0.62 O ATOM 128 CB TYR A 9 16.628 2.318 -1.469 1.00 0.54 C ATOM 129 CG TYR A 9 17.942 2.721 -0.828 1.00 0.56 C ATOM 130 CD1 TYR A 9 18.616 1.849 0.012 1.00 0.63 C ATOM 131 CD2 TYR A 9 18.509 3.970 -1.066 1.00 0.59 C ATOM 132 CE1 TYR A 9 19.813 2.204 0.595 1.00 0.70 C ATOM 133 CE2 TYR A 9 19.709 4.332 -0.486 1.00 0.65 C ATOM 134 CZ TYR A 9 20.357 3.441 0.346 1.00 0.69 C ATOM 135 OH TYR A 9 21.558 3.782 0.927 1.00 0.79 O ATOM 0 H TYR A 9 18.655 0.613 -2.645 1.00 0.57 H new ATOM 0 HA TYR A 9 15.815 1.196 -3.120 1.00 0.54 H new ATOM 0 HB2 TYR A 9 16.032 3.213 -1.648 1.00 0.54 H new ATOM 0 HB3 TYR A 9 16.069 1.697 -0.769 1.00 0.54 H new ATOM 0 HD1 TYR A 9 18.196 0.875 0.213 1.00 0.63 H new ATOM 0 HD2 TYR A 9 18.002 4.668 -1.715 1.00 0.59 H new ATOM 0 HE1 TYR A 9 20.323 1.511 1.247 1.00 0.70 H new ATOM 0 HE2 TYR A 9 20.137 5.304 -0.682 1.00 0.65 H new ATOM 0 HH TYR A 9 22.025 2.970 1.215 1.00 0.79 H new ATOM 145 N THR A 10 16.479 3.265 -4.458 1.00 0.53 N ATOM 146 CA THR A 10 16.882 4.216 -5.474 1.00 0.56 C ATOM 147 C THR A 10 16.326 5.597 -5.147 1.00 0.55 C ATOM 148 O THR A 10 15.142 5.738 -4.841 1.00 0.56 O ATOM 149 CB THR A 10 16.395 3.771 -6.863 1.00 0.59 C ATOM 150 OG1 THR A 10 15.260 2.903 -6.724 1.00 0.83 O ATOM 151 CG2 THR A 10 17.505 3.051 -7.619 1.00 0.90 C ATOM 0 H THR A 10 15.478 3.260 -4.260 1.00 0.53 H new ATOM 0 HA THR A 10 17.971 4.261 -5.488 1.00 0.56 H new ATOM 0 HB THR A 10 16.109 4.657 -7.430 1.00 0.59 H new ATOM 0 HG1 THR A 10 14.486 3.302 -7.173 1.00 0.83 H new ATOM 0 HG21 THR A 10 17.139 2.745 -8.599 1.00 0.90 H new ATOM 0 HG22 THR A 10 18.355 3.722 -7.743 1.00 0.90 H new ATOM 0 HG23 THR A 10 17.816 2.171 -7.057 1.00 0.90 H new ATOM 159 N THR A 11 17.187 6.601 -5.168 1.00 0.63 N ATOM 160 CA THR A 11 16.771 7.964 -4.879 1.00 0.65 C ATOM 161 C THR A 11 16.061 8.586 -6.082 1.00 0.65 C ATOM 162 O THR A 11 16.626 8.682 -7.173 1.00 0.73 O ATOM 163 CB THR A 11 17.973 8.835 -4.475 1.00 0.71 C ATOM 164 OG1 THR A 11 18.798 8.118 -3.544 1.00 1.11 O ATOM 165 CG2 THR A 11 17.506 10.141 -3.843 1.00 0.97 C ATOM 0 H THR A 11 18.179 6.498 -5.382 1.00 0.63 H new ATOM 0 HA THR A 11 16.073 7.923 -4.043 1.00 0.65 H new ATOM 0 HB THR A 11 18.548 9.069 -5.371 1.00 0.71 H new ATOM 0 HG1 THR A 11 19.249 7.381 -4.007 1.00 1.11 H new ATOM 0 HG21 THR A 11 18.373 10.741 -3.565 1.00 0.97 H new ATOM 0 HG22 THR A 11 16.896 10.694 -4.558 1.00 0.97 H new ATOM 0 HG23 THR A 11 16.915 9.924 -2.953 1.00 0.97 H new ATOM 173 N LEU A 12 14.817 8.995 -5.869 1.00 0.63 N ATOM 174 CA LEU A 12 14.015 9.598 -6.924 1.00 0.65 C ATOM 175 C LEU A 12 14.565 10.965 -7.308 1.00 0.69 C ATOM 176 O LEU A 12 14.766 11.827 -6.450 1.00 0.71 O ATOM 177 CB LEU A 12 12.561 9.739 -6.470 1.00 0.66 C ATOM 178 CG LEU A 12 11.880 8.444 -6.025 1.00 0.67 C ATOM 179 CD1 LEU A 12 10.549 8.748 -5.346 1.00 0.74 C ATOM 180 CD2 LEU A 12 11.676 7.518 -7.215 1.00 0.72 C ATOM 0 H LEU A 12 14.340 8.919 -4.970 1.00 0.63 H new ATOM 0 HA LEU A 12 14.059 8.945 -7.796 1.00 0.65 H new ATOM 0 HB2 LEU A 12 12.524 10.450 -5.645 1.00 0.66 H new ATOM 0 HB3 LEU A 12 11.984 10.170 -7.288 1.00 0.66 H new ATOM 0 HG LEU A 12 12.525 7.942 -5.304 1.00 0.67 H new ATOM 0 HD11 LEU A 12 10.078 7.816 -5.036 1.00 0.74 H new ATOM 0 HD12 LEU A 12 10.722 9.376 -4.472 1.00 0.74 H new ATOM 0 HD13 LEU A 12 9.895 9.270 -6.044 1.00 0.74 H new ATOM 0 HD21 LEU A 12 11.190 6.600 -6.883 1.00 0.72 H new ATOM 0 HD22 LEU A 12 11.049 8.012 -7.957 1.00 0.72 H new ATOM 0 HD23 LEU A 12 12.642 7.277 -7.658 1.00 0.72 H new ATOM 192 N GLU A 13 14.806 11.160 -8.599 1.00 0.75 N ATOM 193 CA GLU A 13 15.324 12.425 -9.097 1.00 0.81 C ATOM 194 C GLU A 13 14.312 13.544 -8.884 1.00 0.80 C ATOM 195 O GLU A 13 14.675 14.715 -8.745 1.00 0.89 O ATOM 196 CB GLU A 13 15.672 12.316 -10.578 1.00 0.92 C ATOM 197 CG GLU A 13 16.645 11.186 -10.886 1.00 1.05 C ATOM 198 CD GLU A 13 15.957 9.936 -11.395 1.00 1.67 C ATOM 199 OE1 GLU A 13 15.161 9.333 -10.645 1.00 2.28 O1- ATOM 200 OE2 GLU A 13 16.214 9.550 -12.555 1.00 2.33 O ATOM 0 H GLU A 13 14.650 10.456 -9.320 1.00 0.75 H new ATOM 0 HA GLU A 13 16.230 12.661 -8.538 1.00 0.81 H new ATOM 0 HB2 GLU A 13 14.756 12.163 -11.149 1.00 0.92 H new ATOM 0 HB3 GLU A 13 16.103 13.259 -10.913 1.00 0.92 H new ATOM 0 HG2 GLU A 13 17.365 11.526 -11.630 1.00 1.05 H new ATOM 0 HG3 GLU A 13 17.208 10.943 -9.985 1.00 1.05 H new ATOM 207 N LYS A 14 13.046 13.176 -8.858 1.00 0.75 N ATOM 208 CA LYS A 14 11.978 14.126 -8.644 1.00 0.76 C ATOM 209 C LYS A 14 11.195 13.720 -7.401 1.00 0.70 C ATOM 210 O LYS A 14 10.327 12.846 -7.470 1.00 0.71 O ATOM 211 CB LYS A 14 11.056 14.188 -9.861 1.00 0.84 C ATOM 212 CG LYS A 14 10.143 15.402 -9.871 1.00 1.51 C ATOM 213 CD LYS A 14 9.065 15.289 -10.942 1.00 2.21 C ATOM 214 CE LYS A 14 8.173 14.077 -10.712 1.00 3.19 C ATOM 215 NZ LYS A 14 6.859 14.215 -11.391 1.00 3.64 N1+ ATOM 0 H LYS A 14 12.732 12.214 -8.984 1.00 0.75 H new ATOM 0 HA LYS A 14 12.403 15.119 -8.499 1.00 0.76 H new ATOM 0 HB2 LYS A 14 11.663 14.193 -10.766 1.00 0.84 H new ATOM 0 HB3 LYS A 14 10.446 13.285 -9.891 1.00 0.84 H new ATOM 0 HG2 LYS A 14 9.674 15.512 -8.893 1.00 1.51 H new ATOM 0 HG3 LYS A 14 10.735 16.301 -10.044 1.00 1.51 H new ATOM 0 HD2 LYS A 14 8.457 16.194 -10.944 1.00 2.21 H new ATOM 0 HD3 LYS A 14 9.533 15.216 -11.924 1.00 2.21 H new ATOM 0 HE2 LYS A 14 8.677 13.182 -11.076 1.00 3.19 H new ATOM 0 HE3 LYS A 14 8.015 13.941 -9.642 1.00 3.19 H new ATOM 0 HZ1 LYS A 14 6.465 13.271 -11.580 1.00 3.64 H new ATOM 0 HZ2 LYS A 14 6.207 14.747 -10.780 1.00 3.64 H new ATOM 0 HZ3 LYS A 14 6.984 14.724 -12.289 1.00 3.64 H new ATOM 229 N PRO A 15 11.516 14.325 -6.249 1.00 0.70 N ATOM 230 CA PRO A 15 10.852 14.012 -4.984 1.00 0.68 C ATOM 231 C PRO A 15 9.463 14.627 -4.885 1.00 0.67 C ATOM 232 O PRO A 15 9.172 15.656 -5.508 1.00 0.76 O ATOM 233 CB PRO A 15 11.785 14.630 -3.943 1.00 0.72 C ATOM 234 CG PRO A 15 12.455 15.762 -4.643 1.00 0.85 C ATOM 235 CD PRO A 15 12.556 15.365 -6.093 1.00 0.79 C ATOM 0 HA PRO A 15 10.693 12.941 -4.860 1.00 0.68 H new ATOM 0 HB2 PRO A 15 11.229 14.979 -3.073 1.00 0.72 H new ATOM 0 HB3 PRO A 15 12.513 13.902 -3.585 1.00 0.72 H new ATOM 0 HG2 PRO A 15 11.881 16.682 -4.531 1.00 0.85 H new ATOM 0 HG3 PRO A 15 13.443 15.949 -4.222 1.00 0.85 H new ATOM 0 HD2 PRO A 15 12.375 16.213 -6.753 1.00 0.79 H new ATOM 0 HD3 PRO A 15 13.547 14.979 -6.334 1.00 0.79 H new ATOM 243 N VAL A 16 8.609 13.991 -4.099 1.00 0.62 N ATOM 244 CA VAL A 16 7.251 14.463 -3.906 1.00 0.64 C ATOM 245 C VAL A 16 7.199 15.404 -2.712 1.00 0.64 C ATOM 246 O VAL A 16 7.578 15.038 -1.597 1.00 0.66 O ATOM 247 CB VAL A 16 6.264 13.297 -3.684 1.00 0.65 C ATOM 248 CG1 VAL A 16 4.830 13.802 -3.597 1.00 0.70 C ATOM 249 CG2 VAL A 16 6.396 12.263 -4.792 1.00 0.72 C ATOM 0 H VAL A 16 8.836 13.141 -3.582 1.00 0.62 H new ATOM 0 HA VAL A 16 6.952 14.989 -4.812 1.00 0.64 H new ATOM 0 HB VAL A 16 6.515 12.823 -2.735 1.00 0.65 H new ATOM 0 HG11 VAL A 16 4.156 12.959 -3.441 1.00 0.70 H new ATOM 0 HG12 VAL A 16 4.740 14.499 -2.764 1.00 0.70 H new ATOM 0 HG13 VAL A 16 4.566 14.310 -4.525 1.00 0.70 H new ATOM 0 HG21 VAL A 16 5.692 11.450 -4.617 1.00 0.72 H new ATOM 0 HG22 VAL A 16 6.179 12.730 -5.753 1.00 0.72 H new ATOM 0 HG23 VAL A 16 7.412 11.868 -4.802 1.00 0.72 H new ATOM 259 N ALA A 17 6.736 16.617 -2.956 1.00 0.71 N ATOM 260 CA ALA A 17 6.644 17.624 -1.916 1.00 0.75 C ATOM 261 C ALA A 17 5.423 17.392 -1.035 1.00 0.72 C ATOM 262 O ALA A 17 4.303 17.262 -1.527 1.00 0.80 O ATOM 263 CB ALA A 17 6.600 19.015 -2.535 1.00 0.89 C ATOM 0 H ALA A 17 6.416 16.929 -3.873 1.00 0.71 H new ATOM 0 HA ALA A 17 7.530 17.547 -1.286 1.00 0.75 H new ATOM 0 HB1 ALA A 17 6.531 19.763 -1.745 1.00 0.89 H new ATOM 0 HB2 ALA A 17 7.507 19.184 -3.116 1.00 0.89 H new ATOM 0 HB3 ALA A 17 5.731 19.095 -3.188 1.00 0.89 H new ATOM 269 N GLY A 18 5.645 17.334 0.269 1.00 0.71 N ATOM 270 CA GLY A 18 4.553 17.116 1.196 1.00 0.73 C ATOM 271 C GLY A 18 4.117 15.668 1.233 1.00 0.68 C ATOM 272 O GLY A 18 2.935 15.369 1.430 1.00 0.73 O ATOM 0 H GLY A 18 6.563 17.434 0.703 1.00 0.71 H new ATOM 0 HA2 GLY A 18 4.859 17.428 2.195 1.00 0.73 H new ATOM 0 HA3 GLY A 18 3.707 17.742 0.912 1.00 0.73 H new ATOM 276 N ALA A 19 5.068 14.771 1.020 1.00 0.64 N ATOM 277 CA ALA A 19 4.793 13.342 1.030 1.00 0.60 C ATOM 278 C ALA A 19 4.981 12.774 2.434 1.00 0.57 C ATOM 279 O ALA A 19 5.840 13.237 3.184 1.00 0.61 O ATOM 280 CB ALA A 19 5.696 12.624 0.039 1.00 0.61 C ATOM 0 H ALA A 19 6.043 15.009 0.837 1.00 0.64 H new ATOM 0 HA ALA A 19 3.757 13.185 0.731 1.00 0.60 H new ATOM 0 HB1 ALA A 19 5.479 11.556 0.057 1.00 0.61 H new ATOM 0 HB2 ALA A 19 5.518 13.013 -0.963 1.00 0.61 H new ATOM 0 HB3 ALA A 19 6.738 12.787 0.312 1.00 0.61 H new ATOM 286 N PRO A 20 4.168 11.775 2.817 1.00 0.54 N ATOM 287 CA PRO A 20 4.257 11.152 4.142 1.00 0.54 C ATOM 288 C PRO A 20 5.565 10.387 4.340 1.00 0.51 C ATOM 289 O PRO A 20 6.287 10.095 3.382 1.00 0.52 O ATOM 290 CB PRO A 20 3.063 10.194 4.172 1.00 0.55 C ATOM 291 CG PRO A 20 2.718 9.943 2.747 1.00 0.56 C ATOM 292 CD PRO A 20 3.093 11.188 1.995 1.00 0.55 C ATOM 0 HA PRO A 20 4.241 11.894 4.940 1.00 0.54 H new ATOM 0 HB2 PRO A 20 3.318 9.266 4.683 1.00 0.55 H new ATOM 0 HB3 PRO A 20 2.221 10.633 4.708 1.00 0.55 H new ATOM 0 HG2 PRO A 20 3.260 9.079 2.363 1.00 0.56 H new ATOM 0 HG3 PRO A 20 1.655 9.728 2.637 1.00 0.56 H new ATOM 0 HD2 PRO A 20 3.438 10.959 0.987 1.00 0.55 H new ATOM 0 HD3 PRO A 20 2.247 11.868 1.896 1.00 0.55 H new ATOM 300 N GLN A 21 5.853 10.071 5.599 1.00 0.52 N ATOM 301 CA GLN A 21 7.066 9.350 5.961 1.00 0.51 C ATOM 302 C GLN A 21 7.141 8.000 5.249 1.00 0.46 C ATOM 303 O GLN A 21 8.107 7.718 4.544 1.00 0.47 O ATOM 304 CB GLN A 21 7.123 9.158 7.477 1.00 0.56 C ATOM 305 CG GLN A 21 7.101 10.463 8.255 1.00 0.66 C ATOM 306 CD GLN A 21 6.961 10.251 9.748 1.00 0.93 C ATOM 307 OE1 GLN A 21 7.950 10.055 10.451 1.00 1.79 O ATOM 308 NE2 GLN A 21 5.736 10.304 10.245 1.00 0.95 N ATOM 0 H GLN A 21 5.256 10.306 6.392 1.00 0.52 H new ATOM 0 HA GLN A 21 7.924 9.941 5.642 1.00 0.51 H new ATOM 0 HB2 GLN A 21 6.278 8.544 7.789 1.00 0.56 H new ATOM 0 HB3 GLN A 21 8.029 8.608 7.732 1.00 0.56 H new ATOM 0 HG2 GLN A 21 8.019 11.016 8.055 1.00 0.66 H new ATOM 0 HG3 GLN A 21 6.274 11.079 7.900 1.00 0.66 H new ATOM 0 HE21 GLN A 21 4.942 10.469 9.627 1.00 0.95 H new ATOM 0 HE22 GLN A 21 5.586 10.180 11.246 1.00 0.95 H new ATOM 317 N VAL A 22 6.124 7.170 5.431 1.00 0.43 N ATOM 318 CA VAL A 22 6.090 5.862 4.793 1.00 0.40 C ATOM 319 C VAL A 22 4.861 5.746 3.894 1.00 0.38 C ATOM 320 O VAL A 22 3.732 5.613 4.375 1.00 0.42 O ATOM 321 CB VAL A 22 6.090 4.713 5.828 1.00 0.42 C ATOM 322 CG1 VAL A 22 5.988 3.361 5.133 1.00 0.45 C ATOM 323 CG2 VAL A 22 7.340 4.768 6.695 1.00 0.45 C ATOM 0 H VAL A 22 5.313 7.378 6.014 1.00 0.43 H new ATOM 0 HA VAL A 22 6.995 5.770 4.192 1.00 0.40 H new ATOM 0 HB VAL A 22 5.218 4.838 6.470 1.00 0.42 H new ATOM 0 HG11 VAL A 22 5.990 2.567 5.880 1.00 0.45 H new ATOM 0 HG12 VAL A 22 5.063 3.316 4.558 1.00 0.45 H new ATOM 0 HG13 VAL A 22 6.838 3.231 4.463 1.00 0.45 H new ATOM 0 HG21 VAL A 22 7.319 3.951 7.416 1.00 0.45 H new ATOM 0 HG22 VAL A 22 8.224 4.673 6.065 1.00 0.45 H new ATOM 0 HG23 VAL A 22 7.373 5.719 7.226 1.00 0.45 H new ATOM 333 N LEU A 23 5.084 5.819 2.591 1.00 0.36 N ATOM 334 CA LEU A 23 4.004 5.725 1.621 1.00 0.36 C ATOM 335 C LEU A 23 4.036 4.368 0.930 1.00 0.32 C ATOM 336 O LEU A 23 5.083 3.934 0.457 1.00 0.35 O ATOM 337 CB LEU A 23 4.124 6.850 0.589 1.00 0.41 C ATOM 338 CG LEU A 23 2.960 6.969 -0.399 1.00 0.46 C ATOM 339 CD1 LEU A 23 1.662 7.287 0.326 1.00 0.51 C ATOM 340 CD2 LEU A 23 3.261 8.042 -1.430 1.00 0.53 C ATOM 0 H LEU A 23 6.009 5.944 2.179 1.00 0.36 H new ATOM 0 HA LEU A 23 3.052 5.829 2.142 1.00 0.36 H new ATOM 0 HB2 LEU A 23 4.224 7.797 1.120 1.00 0.41 H new ATOM 0 HB3 LEU A 23 5.044 6.703 0.023 1.00 0.41 H new ATOM 0 HG LEU A 23 2.840 6.011 -0.905 1.00 0.46 H new ATOM 0 HD11 LEU A 23 0.851 7.366 -0.398 1.00 0.51 H new ATOM 0 HD12 LEU A 23 1.438 6.491 1.036 1.00 0.51 H new ATOM 0 HD13 LEU A 23 1.765 8.232 0.860 1.00 0.51 H new ATOM 0 HD21 LEU A 23 2.428 8.120 -2.128 1.00 0.53 H new ATOM 0 HD22 LEU A 23 3.404 8.999 -0.928 1.00 0.53 H new ATOM 0 HD23 LEU A 23 4.168 7.779 -1.975 1.00 0.53 H new ATOM 352 N GLU A 24 2.896 3.698 0.894 1.00 0.32 N ATOM 353 CA GLU A 24 2.793 2.390 0.264 1.00 0.30 C ATOM 354 C GLU A 24 1.653 2.373 -0.742 1.00 0.29 C ATOM 355 O GLU A 24 0.664 3.090 -0.584 1.00 0.35 O ATOM 356 CB GLU A 24 2.566 1.314 1.328 1.00 0.36 C ATOM 357 CG GLU A 24 2.425 -0.092 0.765 1.00 0.39 C ATOM 358 CD GLU A 24 1.346 -0.889 1.459 1.00 0.90 C ATOM 359 OE1 GLU A 24 1.312 -0.894 2.704 1.00 1.54 O1- ATOM 360 OE2 GLU A 24 0.527 -1.529 0.767 1.00 1.61 O ATOM 0 H GLU A 24 2.023 4.040 1.296 1.00 0.32 H new ATOM 0 HA GLU A 24 3.725 2.182 -0.262 1.00 0.30 H new ATOM 0 HB2 GLU A 24 3.399 1.331 2.031 1.00 0.36 H new ATOM 0 HB3 GLU A 24 1.667 1.560 1.893 1.00 0.36 H new ATOM 0 HG2 GLU A 24 2.200 -0.032 -0.300 1.00 0.39 H new ATOM 0 HG3 GLU A 24 3.377 -0.615 0.861 1.00 0.39 H new ATOM 367 N PHE A 25 1.808 1.568 -1.780 1.00 0.27 N ATOM 368 CA PHE A 25 0.791 1.434 -2.805 1.00 0.29 C ATOM 369 C PHE A 25 0.444 -0.030 -3.011 1.00 0.29 C ATOM 370 O PHE A 25 1.304 -0.906 -2.882 1.00 0.34 O ATOM 371 CB PHE A 25 1.275 2.038 -4.121 1.00 0.35 C ATOM 372 CG PHE A 25 1.268 3.534 -4.137 1.00 0.37 C ATOM 373 CD1 PHE A 25 0.092 4.230 -4.363 1.00 0.45 C ATOM 374 CD2 PHE A 25 2.438 4.245 -3.935 1.00 0.42 C ATOM 375 CE1 PHE A 25 0.083 5.609 -4.385 1.00 0.52 C ATOM 376 CE2 PHE A 25 2.436 5.624 -3.955 1.00 0.50 C ATOM 377 CZ PHE A 25 1.258 6.307 -4.181 1.00 0.53 C ATOM 0 H PHE A 25 2.637 0.994 -1.934 1.00 0.27 H new ATOM 0 HA PHE A 25 -0.099 1.971 -2.477 1.00 0.29 H new ATOM 0 HB2 PHE A 25 2.287 1.686 -4.321 1.00 0.35 H new ATOM 0 HB3 PHE A 25 0.645 1.672 -4.932 1.00 0.35 H new ATOM 0 HD1 PHE A 25 -0.828 3.687 -4.524 1.00 0.45 H new ATOM 0 HD2 PHE A 25 3.362 3.714 -3.760 1.00 0.42 H new ATOM 0 HE1 PHE A 25 -0.840 6.142 -4.561 1.00 0.52 H new ATOM 0 HE2 PHE A 25 3.355 6.169 -3.794 1.00 0.50 H new ATOM 0 HZ PHE A 25 1.255 7.387 -4.198 1.00 0.53 H new ATOM 387 N PHE A 26 -0.815 -0.298 -3.321 1.00 0.31 N ATOM 388 CA PHE A 26 -1.266 -1.663 -3.547 1.00 0.32 C ATOM 389 C PHE A 26 -2.607 -1.680 -4.280 1.00 0.34 C ATOM 390 O PHE A 26 -3.201 -0.630 -4.549 1.00 0.38 O ATOM 391 CB PHE A 26 -1.384 -2.410 -2.210 1.00 0.34 C ATOM 392 CG PHE A 26 -2.689 -2.194 -1.490 1.00 0.36 C ATOM 393 CD1 PHE A 26 -3.122 -0.919 -1.162 1.00 0.47 C ATOM 394 CD2 PHE A 26 -3.484 -3.275 -1.142 1.00 0.38 C ATOM 395 CE1 PHE A 26 -4.322 -0.727 -0.505 1.00 0.55 C ATOM 396 CE2 PHE A 26 -4.685 -3.089 -0.484 1.00 0.44 C ATOM 397 CZ PHE A 26 -5.105 -1.812 -0.165 1.00 0.51 C ATOM 0 H PHE A 26 -1.542 0.410 -3.422 1.00 0.31 H new ATOM 0 HA PHE A 26 -0.529 -2.167 -4.172 1.00 0.32 H new ATOM 0 HB2 PHE A 26 -1.255 -3.477 -2.391 1.00 0.34 H new ATOM 0 HB3 PHE A 26 -0.568 -2.097 -1.559 1.00 0.34 H new ATOM 0 HD1 PHE A 26 -2.514 -0.065 -1.423 1.00 0.47 H new ATOM 0 HD2 PHE A 26 -3.161 -4.276 -1.388 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -4.648 0.272 -0.257 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -5.294 -3.941 -0.220 1.00 0.44 H new ATOM 0 HZ PHE A 26 -6.043 -1.663 0.349 1.00 0.51 H new ATOM 407 N SER A 27 -3.070 -2.876 -4.613 1.00 0.35 N ATOM 408 CA SER A 27 -4.341 -3.043 -5.279 1.00 0.39 C ATOM 409 C SER A 27 -4.884 -4.437 -5.018 1.00 0.40 C ATOM 410 O SER A 27 -4.130 -5.407 -4.988 1.00 0.40 O ATOM 411 CB SER A 27 -4.227 -2.791 -6.783 1.00 0.42 C ATOM 412 OG SER A 27 -5.521 -2.646 -7.353 1.00 0.96 O ATOM 0 H SER A 27 -2.575 -3.748 -4.428 1.00 0.35 H new ATOM 0 HA SER A 27 -5.032 -2.305 -4.873 1.00 0.39 H new ATOM 0 HB2 SER A 27 -3.638 -1.892 -6.965 1.00 0.42 H new ATOM 0 HB3 SER A 27 -3.702 -3.619 -7.260 1.00 0.42 H new ATOM 0 HG SER A 27 -5.951 -1.845 -6.988 1.00 0.96 H new ATOM 418 N PHE A 28 -6.193 -4.524 -4.831 1.00 0.45 N ATOM 419 CA PHE A 28 -6.846 -5.800 -4.576 1.00 0.48 C ATOM 420 C PHE A 28 -6.934 -6.626 -5.853 1.00 0.50 C ATOM 421 O PHE A 28 -7.295 -7.798 -5.819 1.00 0.54 O ATOM 422 CB PHE A 28 -8.243 -5.572 -3.995 1.00 0.53 C ATOM 423 CG PHE A 28 -8.236 -4.806 -2.702 1.00 0.51 C ATOM 424 CD1 PHE A 28 -7.875 -5.428 -1.519 1.00 0.50 C ATOM 425 CD2 PHE A 28 -8.594 -3.468 -2.670 1.00 0.58 C ATOM 426 CE1 PHE A 28 -7.869 -4.731 -0.326 1.00 0.54 C ATOM 427 CE2 PHE A 28 -8.590 -2.764 -1.478 1.00 0.62 C ATOM 428 CZ PHE A 28 -8.228 -3.398 -0.304 1.00 0.60 C ATOM 0 H PHE A 28 -6.825 -3.724 -4.851 1.00 0.45 H new ATOM 0 HA PHE A 28 -6.249 -6.353 -3.851 1.00 0.48 H new ATOM 0 HB2 PHE A 28 -8.848 -5.033 -4.724 1.00 0.53 H new ATOM 0 HB3 PHE A 28 -8.723 -6.537 -3.834 1.00 0.53 H new ATOM 0 HD1 PHE A 28 -7.595 -6.471 -1.529 1.00 0.50 H new ATOM 0 HD2 PHE A 28 -8.879 -2.969 -3.584 1.00 0.58 H new ATOM 0 HE1 PHE A 28 -7.584 -5.229 0.589 1.00 0.54 H new ATOM 0 HE2 PHE A 28 -8.869 -1.721 -1.465 1.00 0.62 H new ATOM 0 HZ PHE A 28 -8.226 -2.852 0.628 1.00 0.60 H new ATOM 438 N PHE A 29 -6.587 -6.010 -6.974 1.00 0.51 N ATOM 439 CA PHE A 29 -6.619 -6.690 -8.261 1.00 0.55 C ATOM 440 C PHE A 29 -5.217 -7.122 -8.687 1.00 0.50 C ATOM 441 O PHE A 29 -5.017 -7.591 -9.807 1.00 0.58 O ATOM 442 CB PHE A 29 -7.216 -5.774 -9.329 1.00 0.59 C ATOM 443 CG PHE A 29 -8.705 -5.910 -9.493 1.00 0.89 C ATOM 444 CD1 PHE A 29 -9.238 -6.906 -10.299 1.00 1.21 C ATOM 445 CD2 PHE A 29 -9.571 -5.040 -8.854 1.00 1.17 C ATOM 446 CE1 PHE A 29 -10.607 -7.029 -10.459 1.00 1.63 C ATOM 447 CE2 PHE A 29 -10.942 -5.161 -9.010 1.00 1.60 C ATOM 448 CZ PHE A 29 -11.459 -6.158 -9.813 1.00 1.78 C ATOM 0 H PHE A 29 -6.279 -5.038 -7.018 1.00 0.51 H new ATOM 0 HA PHE A 29 -7.242 -7.578 -8.155 1.00 0.55 H new ATOM 0 HB2 PHE A 29 -6.982 -4.740 -9.077 1.00 0.59 H new ATOM 0 HB3 PHE A 29 -6.735 -5.986 -10.284 1.00 0.59 H new ATOM 0 HD1 PHE A 29 -8.577 -7.593 -10.807 1.00 1.21 H new ATOM 0 HD2 PHE A 29 -9.173 -4.257 -8.226 1.00 1.17 H new ATOM 0 HE1 PHE A 29 -11.009 -7.808 -11.090 1.00 1.63 H new ATOM 0 HE2 PHE A 29 -11.606 -4.476 -8.504 1.00 1.60 H new ATOM 0 HZ PHE A 29 -12.528 -6.256 -9.935 1.00 1.78 H new ATOM 458 N CYS A 30 -4.253 -6.977 -7.790 1.00 0.46 N ATOM 459 CA CYS A 30 -2.882 -7.340 -8.095 1.00 0.44 C ATOM 460 C CYS A 30 -2.441 -8.556 -7.288 1.00 0.45 C ATOM 461 O CYS A 30 -2.428 -8.521 -6.052 1.00 0.44 O ATOM 462 CB CYS A 30 -1.948 -6.166 -7.813 1.00 0.41 C ATOM 463 SG CYS A 30 -0.277 -6.397 -8.460 1.00 0.48 S ATOM 0 H CYS A 30 -4.396 -6.612 -6.849 1.00 0.46 H new ATOM 0 HA CYS A 30 -2.832 -7.594 -9.154 1.00 0.44 H new ATOM 0 HB2 CYS A 30 -2.374 -5.261 -8.247 1.00 0.41 H new ATOM 0 HB3 CYS A 30 -1.893 -6.008 -6.736 1.00 0.41 H new ATOM 0 HG CYS A 30 -0.264 -6.131 -9.733 1.00 0.48 H new ATOM 469 N PRO A 31 -2.065 -9.647 -7.977 1.00 0.51 N ATOM 470 CA PRO A 31 -1.610 -10.871 -7.319 1.00 0.56 C ATOM 471 C PRO A 31 -0.299 -10.649 -6.575 1.00 0.50 C ATOM 472 O PRO A 31 0.036 -11.386 -5.648 1.00 0.50 O ATOM 473 CB PRO A 31 -1.415 -11.863 -8.466 1.00 0.67 C ATOM 474 CG PRO A 31 -1.296 -11.039 -9.700 1.00 0.70 C ATOM 475 CD PRO A 31 -2.068 -9.774 -9.446 1.00 0.58 C ATOM 0 HA PRO A 31 -2.321 -11.222 -6.571 1.00 0.56 H new ATOM 0 HB2 PRO A 31 -0.521 -12.468 -8.312 1.00 0.67 H new ATOM 0 HB3 PRO A 31 -2.257 -12.551 -8.535 1.00 0.67 H new ATOM 0 HG2 PRO A 31 -0.251 -10.818 -9.920 1.00 0.70 H new ATOM 0 HG3 PRO A 31 -1.697 -11.572 -10.562 1.00 0.70 H new ATOM 0 HD2 PRO A 31 -1.596 -8.915 -9.922 1.00 0.58 H new ATOM 0 HD3 PRO A 31 -3.082 -9.839 -9.840 1.00 0.58 H new ATOM 483 N HIS A 32 0.434 -9.615 -6.984 1.00 0.49 N ATOM 484 CA HIS A 32 1.700 -9.275 -6.352 1.00 0.48 C ATOM 485 C HIS A 32 1.467 -8.867 -4.907 1.00 0.39 C ATOM 486 O HIS A 32 2.134 -9.354 -3.999 1.00 0.42 O ATOM 487 CB HIS A 32 2.382 -8.134 -7.102 1.00 0.57 C ATOM 488 CG HIS A 32 3.514 -8.564 -7.979 1.00 0.72 C ATOM 489 ND1 HIS A 32 3.729 -8.055 -9.240 1.00 1.63 N ATOM 490 CD2 HIS A 32 4.512 -9.449 -7.762 1.00 1.25 C ATOM 491 CE1 HIS A 32 4.809 -8.608 -9.759 1.00 1.74 C ATOM 492 NE2 HIS A 32 5.298 -9.456 -8.884 1.00 1.42 N ATOM 0 H HIS A 32 0.169 -8.999 -7.752 1.00 0.49 H new ATOM 0 HA HIS A 32 2.346 -10.152 -6.380 1.00 0.48 H new ATOM 0 HB2 HIS A 32 1.639 -7.621 -7.713 1.00 0.57 H new ATOM 0 HB3 HIS A 32 2.754 -7.410 -6.377 1.00 0.57 H new ATOM 0 HD2 HIS A 32 4.662 -10.040 -6.871 1.00 1.25 H new ATOM 0 HE1 HIS A 32 5.220 -8.399 -10.736 1.00 1.74 H new ATOM 0 HE2 HIS A 32 6.131 -10.029 -9.018 1.00 1.42 H new ATOM 501 N CYS A 33 0.497 -7.983 -4.701 1.00 0.37 N ATOM 502 CA CYS A 33 0.166 -7.514 -3.365 1.00 0.32 C ATOM 503 C CYS A 33 -0.419 -8.651 -2.532 1.00 0.32 C ATOM 504 O CYS A 33 -0.226 -8.704 -1.322 1.00 0.29 O ATOM 505 CB CYS A 33 -0.814 -6.344 -3.444 1.00 0.34 C ATOM 506 SG CYS A 33 -0.284 -5.001 -4.538 1.00 0.36 S ATOM 0 H CYS A 33 -0.073 -7.578 -5.444 1.00 0.37 H new ATOM 0 HA CYS A 33 1.078 -7.168 -2.879 1.00 0.32 H new ATOM 0 HB2 CYS A 33 -1.780 -6.716 -3.786 1.00 0.34 H new ATOM 0 HB3 CYS A 33 -0.964 -5.943 -2.442 1.00 0.34 H new ATOM 0 HG CYS A 33 0.411 -4.137 -3.859 1.00 0.36 H new ATOM 512 N TYR A 34 -1.120 -9.566 -3.193 1.00 0.40 N ATOM 513 CA TYR A 34 -1.713 -10.712 -2.515 1.00 0.44 C ATOM 514 C TYR A 34 -0.616 -11.533 -1.852 1.00 0.41 C ATOM 515 O TYR A 34 -0.737 -11.942 -0.699 1.00 0.41 O ATOM 516 CB TYR A 34 -2.474 -11.576 -3.523 1.00 0.55 C ATOM 517 CG TYR A 34 -3.650 -12.336 -2.946 1.00 0.57 C ATOM 518 CD1 TYR A 34 -3.473 -13.539 -2.270 1.00 1.42 C ATOM 519 CD2 TYR A 34 -4.944 -11.856 -3.090 1.00 0.94 C ATOM 520 CE1 TYR A 34 -4.555 -14.236 -1.761 1.00 1.44 C ATOM 521 CE2 TYR A 34 -6.025 -12.546 -2.579 1.00 1.02 C ATOM 522 CZ TYR A 34 -5.827 -13.734 -1.917 1.00 0.73 C ATOM 523 OH TYR A 34 -6.906 -14.429 -1.420 1.00 0.85 O ATOM 0 H TYR A 34 -1.291 -9.536 -4.198 1.00 0.40 H new ATOM 0 HA TYR A 34 -2.410 -10.361 -1.754 1.00 0.44 H new ATOM 0 HB2 TYR A 34 -2.833 -10.937 -4.330 1.00 0.55 H new ATOM 0 HB3 TYR A 34 -1.780 -12.290 -3.966 1.00 0.55 H new ATOM 0 HD1 TYR A 34 -2.477 -13.935 -2.140 1.00 1.42 H new ATOM 0 HD2 TYR A 34 -5.109 -10.925 -3.612 1.00 0.94 H new ATOM 0 HE1 TYR A 34 -4.402 -15.171 -1.243 1.00 1.44 H new ATOM 0 HE2 TYR A 34 -7.024 -12.153 -2.699 1.00 1.02 H new ATOM 0 HH TYR A 34 -6.910 -14.372 -0.442 1.00 0.85 H new ATOM 533 N GLN A 35 0.465 -11.750 -2.588 1.00 0.44 N ATOM 534 CA GLN A 35 1.595 -12.509 -2.081 1.00 0.47 C ATOM 535 C GLN A 35 2.377 -11.691 -1.058 1.00 0.37 C ATOM 536 O GLN A 35 2.788 -12.200 -0.018 1.00 0.39 O ATOM 537 CB GLN A 35 2.528 -12.914 -3.224 1.00 0.61 C ATOM 538 CG GLN A 35 1.844 -13.675 -4.349 1.00 1.02 C ATOM 539 CD GLN A 35 1.153 -14.938 -3.877 1.00 1.41 C ATOM 540 OE1 GLN A 35 1.776 -15.989 -3.758 1.00 1.89 O ATOM 541 NE2 GLN A 35 -0.143 -14.849 -3.626 1.00 2.27 N ATOM 0 H GLN A 35 0.581 -11.409 -3.542 1.00 0.44 H new ATOM 0 HA GLN A 35 1.206 -13.406 -1.600 1.00 0.47 H new ATOM 0 HB2 GLN A 35 2.990 -12.017 -3.636 1.00 0.61 H new ATOM 0 HB3 GLN A 35 3.332 -13.530 -2.821 1.00 0.61 H new ATOM 0 HG2 GLN A 35 1.112 -13.024 -4.827 1.00 1.02 H new ATOM 0 HG3 GLN A 35 2.583 -13.934 -5.107 1.00 1.02 H new ATOM 0 HE21 GLN A 35 -0.624 -13.956 -3.737 1.00 2.27 H new ATOM 0 HE22 GLN A 35 -0.661 -15.673 -3.321 1.00 2.27 H new ATOM 550 N PHE A 36 2.555 -10.415 -1.350 1.00 0.33 N ATOM 551 CA PHE A 36 3.306 -9.527 -0.476 1.00 0.29 C ATOM 552 C PHE A 36 2.642 -9.354 0.889 1.00 0.23 C ATOM 553 O PHE A 36 3.328 -9.253 1.896 1.00 0.29 O ATOM 554 CB PHE A 36 3.491 -8.169 -1.151 1.00 0.34 C ATOM 555 CG PHE A 36 4.730 -8.087 -1.995 1.00 0.45 C ATOM 556 CD1 PHE A 36 5.058 -9.108 -2.874 1.00 0.56 C ATOM 557 CD2 PHE A 36 5.567 -6.988 -1.911 1.00 0.64 C ATOM 558 CE1 PHE A 36 6.195 -9.035 -3.650 1.00 0.77 C ATOM 559 CE2 PHE A 36 6.708 -6.909 -2.683 1.00 0.83 C ATOM 560 CZ PHE A 36 7.024 -7.936 -3.555 1.00 0.87 C ATOM 0 H PHE A 36 2.188 -9.967 -2.190 1.00 0.33 H new ATOM 0 HA PHE A 36 4.279 -9.986 -0.301 1.00 0.29 H new ATOM 0 HB2 PHE A 36 2.621 -7.960 -1.774 1.00 0.34 H new ATOM 0 HB3 PHE A 36 3.529 -7.393 -0.386 1.00 0.34 H new ATOM 0 HD1 PHE A 36 4.414 -9.972 -2.952 1.00 0.56 H new ATOM 0 HD2 PHE A 36 5.324 -6.183 -1.233 1.00 0.64 H new ATOM 0 HE1 PHE A 36 6.437 -9.837 -4.332 1.00 0.77 H new ATOM 0 HE2 PHE A 36 7.354 -6.047 -2.607 1.00 0.83 H new ATOM 0 HZ PHE A 36 7.917 -7.878 -4.160 1.00 0.87 H new ATOM 570 N GLU A 37 1.319 -9.339 0.933 1.00 0.25 N ATOM 571 CA GLU A 37 0.617 -9.146 2.199 1.00 0.36 C ATOM 572 C GLU A 37 0.249 -10.462 2.887 1.00 0.30 C ATOM 573 O GLU A 37 0.541 -10.652 4.065 1.00 0.46 O ATOM 574 CB GLU A 37 -0.642 -8.298 1.989 1.00 0.54 C ATOM 575 CG GLU A 37 -0.349 -6.819 1.791 1.00 0.95 C ATOM 576 CD GLU A 37 0.194 -6.166 3.045 1.00 1.33 C ATOM 577 OE1 GLU A 37 1.305 -6.539 3.486 1.00 1.89 O1- ATOM 578 OE2 GLU A 37 -0.497 -5.282 3.598 1.00 1.87 O ATOM 0 H GLU A 37 0.714 -9.456 0.121 1.00 0.25 H new ATOM 0 HA GLU A 37 1.309 -8.623 2.859 1.00 0.36 H new ATOM 0 HB2 GLU A 37 -1.183 -8.673 1.120 1.00 0.54 H new ATOM 0 HB3 GLU A 37 -1.300 -8.418 2.850 1.00 0.54 H new ATOM 0 HG2 GLU A 37 0.371 -6.699 0.981 1.00 0.95 H new ATOM 0 HG3 GLU A 37 -1.262 -6.308 1.485 1.00 0.95 H new ATOM 585 N GLU A 38 -0.372 -11.378 2.156 1.00 0.30 N ATOM 586 CA GLU A 38 -0.804 -12.647 2.740 1.00 0.37 C ATOM 587 C GLU A 38 0.342 -13.643 2.928 1.00 0.34 C ATOM 588 O GLU A 38 0.367 -14.390 3.909 1.00 0.50 O ATOM 589 CB GLU A 38 -1.897 -13.275 1.874 1.00 0.55 C ATOM 590 CG GLU A 38 -3.258 -13.326 2.551 1.00 0.99 C ATOM 591 CD GLU A 38 -3.253 -14.162 3.815 1.00 1.34 C ATOM 592 OE1 GLU A 38 -3.217 -15.410 3.714 1.00 2.00 O1- ATOM 593 OE2 GLU A 38 -3.286 -13.582 4.917 1.00 1.89 O ATOM 0 H GLU A 38 -0.588 -11.271 1.165 1.00 0.30 H new ATOM 0 HA GLU A 38 -1.192 -12.419 3.733 1.00 0.37 H new ATOM 0 HB2 GLU A 38 -1.983 -12.709 0.946 1.00 0.55 H new ATOM 0 HB3 GLU A 38 -1.597 -14.287 1.603 1.00 0.55 H new ATOM 0 HG2 GLU A 38 -3.577 -12.312 2.792 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -3.991 -13.733 1.854 1.00 0.99 H new ATOM 600 N VAL A 39 1.293 -13.657 2.012 1.00 0.33 N ATOM 601 CA VAL A 39 2.392 -14.607 2.100 1.00 0.37 C ATOM 602 C VAL A 39 3.612 -14.012 2.795 1.00 0.31 C ATOM 603 O VAL A 39 4.065 -14.527 3.814 1.00 0.43 O ATOM 604 CB VAL A 39 2.802 -15.121 0.703 1.00 0.48 C ATOM 605 CG1 VAL A 39 3.915 -16.152 0.805 1.00 0.58 C ATOM 606 CG2 VAL A 39 1.599 -15.697 -0.034 1.00 0.58 C ATOM 0 H VAL A 39 1.329 -13.031 1.208 1.00 0.33 H new ATOM 0 HA VAL A 39 2.027 -15.442 2.699 1.00 0.37 H new ATOM 0 HB VAL A 39 3.180 -14.274 0.131 1.00 0.48 H new ATOM 0 HG11 VAL A 39 4.184 -16.497 -0.193 1.00 0.58 H new ATOM 0 HG12 VAL A 39 4.786 -15.701 1.280 1.00 0.58 H new ATOM 0 HG13 VAL A 39 3.574 -16.998 1.401 1.00 0.58 H new ATOM 0 HG21 VAL A 39 1.910 -16.053 -1.016 1.00 0.58 H new ATOM 0 HG22 VAL A 39 1.185 -16.527 0.539 1.00 0.58 H new ATOM 0 HG23 VAL A 39 0.840 -14.923 -0.153 1.00 0.58 H new ATOM 616 N LEU A 40 4.124 -12.917 2.259 1.00 0.24 N ATOM 617 CA LEU A 40 5.323 -12.288 2.804 1.00 0.24 C ATOM 618 C LEU A 40 5.033 -11.383 4.000 1.00 0.23 C ATOM 619 O LEU A 40 5.908 -11.186 4.842 1.00 0.27 O ATOM 620 CB LEU A 40 6.026 -11.485 1.710 1.00 0.26 C ATOM 621 CG LEU A 40 6.428 -12.285 0.469 1.00 0.31 C ATOM 622 CD1 LEU A 40 7.186 -11.398 -0.495 1.00 0.35 C ATOM 623 CD2 LEU A 40 7.262 -13.498 0.850 1.00 0.41 C ATOM 0 H LEU A 40 3.730 -12.442 1.446 1.00 0.24 H new ATOM 0 HA LEU A 40 5.967 -13.091 3.162 1.00 0.24 H new ATOM 0 HB2 LEU A 40 5.370 -10.671 1.401 1.00 0.26 H new ATOM 0 HB3 LEU A 40 6.921 -11.030 2.134 1.00 0.26 H new ATOM 0 HG LEU A 40 5.522 -12.643 -0.020 1.00 0.31 H new ATOM 0 HD11 LEU A 40 7.468 -11.975 -1.375 1.00 0.35 H new ATOM 0 HD12 LEU A 40 6.553 -10.563 -0.796 1.00 0.35 H new ATOM 0 HD13 LEU A 40 8.083 -11.016 -0.009 1.00 0.35 H new ATOM 0 HD21 LEU A 40 7.535 -14.049 -0.050 1.00 0.41 H new ATOM 0 HD22 LEU A 40 8.166 -13.171 1.363 1.00 0.41 H new ATOM 0 HD23 LEU A 40 6.684 -14.144 1.510 1.00 0.41 H new ATOM 635 N HIS A 41 3.817 -10.837 4.076 1.00 0.20 N ATOM 636 CA HIS A 41 3.441 -9.936 5.174 1.00 0.23 C ATOM 637 C HIS A 41 4.345 -8.701 5.170 1.00 0.22 C ATOM 638 O HIS A 41 4.830 -8.276 6.218 1.00 0.28 O ATOM 639 CB HIS A 41 3.558 -10.648 6.529 1.00 0.30 C ATOM 640 CG HIS A 41 2.320 -11.371 6.966 1.00 0.42 C ATOM 641 ND1 HIS A 41 1.728 -11.162 8.195 1.00 0.82 N ATOM 642 CD2 HIS A 41 1.571 -12.318 6.348 1.00 0.62 C ATOM 643 CE1 HIS A 41 0.673 -11.943 8.313 1.00 0.84 C ATOM 644 NE2 HIS A 41 0.554 -12.655 7.208 1.00 0.68 N ATOM 0 H HIS A 41 3.076 -11.001 3.394 1.00 0.20 H new ATOM 0 HA HIS A 41 2.405 -9.633 5.025 1.00 0.23 H new ATOM 0 HB2 HIS A 41 4.380 -11.362 6.479 1.00 0.30 H new ATOM 0 HB3 HIS A 41 3.820 -9.912 7.289 1.00 0.30 H new ATOM 0 HD1 HIS A 41 2.056 -10.505 8.903 1.00 0.82 H new ATOM 0 HD2 HIS A 41 1.742 -12.730 5.364 1.00 0.62 H new ATOM 0 HE1 HIS A 41 0.017 -11.992 9.169 1.00 0.84 H new ATOM 653 N ILE A 42 4.561 -8.136 3.985 1.00 0.23 N ATOM 654 CA ILE A 42 5.431 -6.970 3.814 1.00 0.26 C ATOM 655 C ILE A 42 4.995 -5.786 4.670 1.00 0.27 C ATOM 656 O ILE A 42 5.700 -5.409 5.608 1.00 0.31 O ATOM 657 CB ILE A 42 5.513 -6.528 2.328 1.00 0.32 C ATOM 658 CG1 ILE A 42 6.173 -7.625 1.480 1.00 0.36 C ATOM 659 CG2 ILE A 42 6.279 -5.214 2.194 1.00 0.37 C ATOM 660 CD1 ILE A 42 7.634 -7.871 1.808 1.00 0.41 C ATOM 0 H ILE A 42 4.141 -8.470 3.118 1.00 0.23 H new ATOM 0 HA ILE A 42 6.419 -7.287 4.147 1.00 0.26 H new ATOM 0 HB ILE A 42 4.499 -6.368 1.962 1.00 0.32 H new ATOM 0 HG12 ILE A 42 5.620 -8.555 1.615 1.00 0.36 H new ATOM 0 HG13 ILE A 42 6.089 -7.355 0.427 1.00 0.36 H new ATOM 0 HG21 ILE A 42 6.324 -4.924 1.144 1.00 0.37 H new ATOM 0 HG22 ILE A 42 5.770 -4.436 2.764 1.00 0.37 H new ATOM 0 HG23 ILE A 42 7.291 -5.342 2.578 1.00 0.37 H new ATOM 0 HD11 ILE A 42 8.024 -8.660 1.165 1.00 0.41 H new ATOM 0 HD12 ILE A 42 8.203 -6.956 1.645 1.00 0.41 H new ATOM 0 HD13 ILE A 42 7.727 -8.174 2.851 1.00 0.41 H new ATOM 672 N SER A 43 3.835 -5.216 4.370 1.00 0.33 N ATOM 673 CA SER A 43 3.339 -4.064 5.109 1.00 0.39 C ATOM 674 C SER A 43 3.115 -4.417 6.573 1.00 0.38 C ATOM 675 O SER A 43 3.326 -3.594 7.466 1.00 0.45 O ATOM 676 CB SER A 43 2.051 -3.548 4.479 1.00 0.50 C ATOM 677 OG SER A 43 2.228 -3.329 3.090 1.00 1.03 O ATOM 0 H SER A 43 3.221 -5.533 3.620 1.00 0.33 H new ATOM 0 HA SER A 43 4.090 -3.275 5.062 1.00 0.39 H new ATOM 0 HB2 SER A 43 1.248 -4.267 4.640 1.00 0.50 H new ATOM 0 HB3 SER A 43 1.749 -2.619 4.964 1.00 0.50 H new ATOM 0 HG SER A 43 2.297 -2.367 2.917 1.00 1.03 H new ATOM 683 N ASP A 44 2.705 -5.654 6.812 1.00 0.37 N ATOM 684 CA ASP A 44 2.468 -6.138 8.164 1.00 0.44 C ATOM 685 C ASP A 44 3.762 -6.095 8.972 1.00 0.41 C ATOM 686 O ASP A 44 3.780 -5.629 10.110 1.00 0.52 O ATOM 687 CB ASP A 44 1.911 -7.560 8.125 1.00 0.51 C ATOM 688 CG ASP A 44 1.754 -8.155 9.508 1.00 0.92 C ATOM 689 OD1 ASP A 44 0.980 -7.599 10.310 1.00 1.43 O1- ATOM 690 OD2 ASP A 44 2.398 -9.184 9.793 1.00 1.73 O ATOM 0 H ASP A 44 2.529 -6.345 6.082 1.00 0.37 H new ATOM 0 HA ASP A 44 1.735 -5.491 8.646 1.00 0.44 H new ATOM 0 HB2 ASP A 44 0.944 -7.555 7.622 1.00 0.51 H new ATOM 0 HB3 ASP A 44 2.574 -8.191 7.534 1.00 0.51 H new ATOM 695 N ASN A 45 4.848 -6.568 8.366 1.00 0.33 N ATOM 696 CA ASN A 45 6.153 -6.575 9.017 1.00 0.37 C ATOM 697 C ASN A 45 6.674 -5.154 9.165 1.00 0.39 C ATOM 698 O ASN A 45 7.298 -4.820 10.171 1.00 0.48 O ATOM 699 CB ASN A 45 7.166 -7.415 8.228 1.00 0.38 C ATOM 700 CG ASN A 45 7.191 -8.872 8.657 1.00 0.68 C ATOM 701 OD1 ASN A 45 7.883 -9.250 9.607 1.00 1.19 O ATOM 702 ND2 ASN A 45 6.447 -9.708 7.949 1.00 1.12 N ATOM 0 H ASN A 45 4.849 -6.953 7.421 1.00 0.33 H new ATOM 0 HA ASN A 45 6.030 -7.023 10.003 1.00 0.37 H new ATOM 0 HB2 ASN A 45 6.927 -7.359 7.166 1.00 0.38 H new ATOM 0 HB3 ASN A 45 8.161 -6.988 8.354 1.00 0.38 H new ATOM 0 HD21 ASN A 45 6.433 -10.701 8.182 1.00 1.12 H new ATOM 0 HD22 ASN A 45 5.888 -9.359 7.171 1.00 1.12 H new ATOM 709 N VAL A 46 6.418 -4.323 8.161 1.00 0.33 N ATOM 710 CA VAL A 46 6.852 -2.931 8.188 1.00 0.36 C ATOM 711 C VAL A 46 6.218 -2.198 9.367 1.00 0.43 C ATOM 712 O VAL A 46 6.889 -1.449 10.080 1.00 0.49 O ATOM 713 CB VAL A 46 6.515 -2.204 6.868 1.00 0.33 C ATOM 714 CG1 VAL A 46 6.745 -0.707 6.990 1.00 0.43 C ATOM 715 CG2 VAL A 46 7.351 -2.766 5.734 1.00 0.31 C ATOM 0 H VAL A 46 5.911 -4.590 7.317 1.00 0.33 H new ATOM 0 HA VAL A 46 7.936 -2.927 8.305 1.00 0.36 H new ATOM 0 HB VAL A 46 5.459 -2.369 6.653 1.00 0.33 H new ATOM 0 HG11 VAL A 46 6.499 -0.223 6.045 1.00 0.43 H new ATOM 0 HG12 VAL A 46 6.111 -0.305 7.780 1.00 0.43 H new ATOM 0 HG13 VAL A 46 7.791 -0.518 7.233 1.00 0.43 H new ATOM 0 HG21 VAL A 46 7.105 -2.246 4.808 1.00 0.31 H new ATOM 0 HG22 VAL A 46 8.409 -2.627 5.958 1.00 0.31 H new ATOM 0 HG23 VAL A 46 7.141 -3.829 5.620 1.00 0.31 H new ATOM 725 N LYS A 47 4.930 -2.454 9.595 1.00 0.46 N ATOM 726 CA LYS A 47 4.197 -1.835 10.700 1.00 0.56 C ATOM 727 C LYS A 47 4.783 -2.257 12.050 1.00 0.60 C ATOM 728 O LYS A 47 4.465 -1.675 13.090 1.00 0.70 O ATOM 729 CB LYS A 47 2.712 -2.220 10.646 1.00 0.61 C ATOM 730 CG LYS A 47 1.884 -1.382 9.677 1.00 0.70 C ATOM 731 CD LYS A 47 0.393 -1.680 9.810 1.00 0.88 C ATOM 732 CE LYS A 47 -0.457 -0.671 9.047 1.00 1.14 C ATOM 733 NZ LYS A 47 -1.898 -0.759 9.414 1.00 1.53 N1+ ATOM 0 H LYS A 47 4.370 -3.089 9.026 1.00 0.46 H new ATOM 0 HA LYS A 47 4.292 -0.754 10.596 1.00 0.56 H new ATOM 0 HB2 LYS A 47 2.630 -3.269 10.363 1.00 0.61 H new ATOM 0 HB3 LYS A 47 2.287 -2.126 11.645 1.00 0.61 H new ATOM 0 HG2 LYS A 47 2.062 -0.323 9.866 1.00 0.70 H new ATOM 0 HG3 LYS A 47 2.206 -1.582 8.655 1.00 0.70 H new ATOM 0 HD2 LYS A 47 0.188 -2.683 9.437 1.00 0.88 H new ATOM 0 HD3 LYS A 47 0.113 -1.668 10.863 1.00 0.88 H new ATOM 0 HE2 LYS A 47 -0.093 0.336 9.250 1.00 1.14 H new ATOM 0 HE3 LYS A 47 -0.345 -0.840 7.976 1.00 1.14 H new ATOM 0 HZ1 LYS A 47 -2.428 -0.011 8.923 1.00 1.53 H new ATOM 0 HZ2 LYS A 47 -2.271 -1.689 9.134 1.00 1.53 H new ATOM 0 HZ3 LYS A 47 -2.002 -0.639 10.442 1.00 1.53 H new ATOM 747 N LYS A 48 5.639 -3.274 12.028 1.00 0.55 N ATOM 748 CA LYS A 48 6.275 -3.781 13.239 1.00 0.62 C ATOM 749 C LYS A 48 7.782 -3.532 13.217 1.00 0.61 C ATOM 750 O LYS A 48 8.514 -3.984 14.096 1.00 0.77 O ATOM 751 CB LYS A 48 5.984 -5.277 13.392 1.00 0.71 C ATOM 752 CG LYS A 48 4.525 -5.576 13.699 1.00 0.83 C ATOM 753 CD LYS A 48 4.066 -6.868 13.045 1.00 0.98 C ATOM 754 CE LYS A 48 2.578 -7.101 13.261 1.00 1.52 C ATOM 755 NZ LYS A 48 2.114 -8.372 12.642 1.00 2.02 N1+ ATOM 0 H LYS A 48 5.910 -3.767 11.177 1.00 0.55 H new ATOM 0 HA LYS A 48 5.861 -3.246 14.094 1.00 0.62 H new ATOM 0 HB2 LYS A 48 6.268 -5.791 12.474 1.00 0.71 H new ATOM 0 HB3 LYS A 48 6.607 -5.682 14.190 1.00 0.71 H new ATOM 0 HG2 LYS A 48 4.387 -5.645 14.778 1.00 0.83 H new ATOM 0 HG3 LYS A 48 3.903 -4.751 13.351 1.00 0.83 H new ATOM 0 HD2 LYS A 48 4.279 -6.832 11.977 1.00 0.98 H new ATOM 0 HD3 LYS A 48 4.630 -7.706 13.455 1.00 0.98 H new ATOM 0 HE2 LYS A 48 2.366 -7.121 14.330 1.00 1.52 H new ATOM 0 HE3 LYS A 48 2.016 -6.267 12.840 1.00 1.52 H new ATOM 0 HZ1 LYS A 48 1.346 -8.171 11.971 1.00 2.02 H new ATOM 0 HZ2 LYS A 48 2.905 -8.822 12.138 1.00 2.02 H new ATOM 0 HZ3 LYS A 48 1.767 -9.013 13.384 1.00 2.02 H new ATOM 769 N LYS A 49 8.238 -2.808 12.207 1.00 0.53 N ATOM 770 CA LYS A 49 9.654 -2.498 12.064 1.00 0.54 C ATOM 771 C LYS A 49 9.887 -0.989 12.173 1.00 0.52 C ATOM 772 O LYS A 49 10.964 -0.541 12.578 1.00 0.64 O ATOM 773 CB LYS A 49 10.171 -3.027 10.725 1.00 0.58 C ATOM 774 CG LYS A 49 11.664 -2.834 10.516 1.00 0.78 C ATOM 775 CD LYS A 49 12.480 -3.955 11.138 1.00 0.87 C ATOM 776 CE LYS A 49 12.401 -5.231 10.316 1.00 1.19 C ATOM 777 NZ LYS A 49 13.517 -6.163 10.627 1.00 1.44 N1+ ATOM 0 H LYS A 49 7.646 -2.422 11.471 1.00 0.53 H new ATOM 0 HA LYS A 49 10.204 -2.985 12.869 1.00 0.54 H new ATOM 0 HB2 LYS A 49 9.939 -4.090 10.653 1.00 0.58 H new ATOM 0 HB3 LYS A 49 9.635 -2.528 9.918 1.00 0.58 H new ATOM 0 HG2 LYS A 49 11.876 -2.782 9.448 1.00 0.78 H new ATOM 0 HG3 LYS A 49 11.970 -1.881 10.948 1.00 0.78 H new ATOM 0 HD2 LYS A 49 13.521 -3.642 11.225 1.00 0.87 H new ATOM 0 HD3 LYS A 49 12.120 -4.150 12.148 1.00 0.87 H new ATOM 0 HE2 LYS A 49 11.450 -5.728 10.508 1.00 1.19 H new ATOM 0 HE3 LYS A 49 12.422 -4.981 9.255 1.00 1.19 H new ATOM 0 HZ1 LYS A 49 13.201 -7.143 10.483 1.00 1.44 H new ATOM 0 HZ2 LYS A 49 14.322 -5.963 9.999 1.00 1.44 H new ATOM 0 HZ3 LYS A 49 13.810 -6.036 11.617 1.00 1.44 H new ATOM 791 N LEU A 50 8.875 -0.211 11.803 1.00 0.53 N ATOM 792 CA LEU A 50 8.965 1.243 11.852 1.00 0.54 C ATOM 793 C LEU A 50 9.079 1.741 13.289 1.00 0.54 C ATOM 794 O LEU A 50 8.495 1.163 14.204 1.00 0.59 O ATOM 795 CB LEU A 50 7.732 1.878 11.203 1.00 0.60 C ATOM 796 CG LEU A 50 7.511 1.529 9.734 1.00 0.64 C ATOM 797 CD1 LEU A 50 6.162 2.064 9.269 1.00 1.00 C ATOM 798 CD2 LEU A 50 8.640 2.082 8.873 1.00 0.91 C ATOM 0 H LEU A 50 7.980 -0.565 11.465 1.00 0.53 H new ATOM 0 HA LEU A 50 9.861 1.533 11.304 1.00 0.54 H new ATOM 0 HB2 LEU A 50 6.850 1.576 11.767 1.00 0.60 H new ATOM 0 HB3 LEU A 50 7.813 2.961 11.293 1.00 0.60 H new ATOM 0 HG LEU A 50 7.510 0.444 9.628 1.00 0.64 H new ATOM 0 HD11 LEU A 50 6.012 1.811 8.219 1.00 1.00 H new ATOM 0 HD12 LEU A 50 5.368 1.617 9.867 1.00 1.00 H new ATOM 0 HD13 LEU A 50 6.140 3.147 9.387 1.00 1.00 H new ATOM 0 HD21 LEU A 50 8.463 1.822 7.829 1.00 0.91 H new ATOM 0 HD22 LEU A 50 8.678 3.167 8.975 1.00 0.91 H new ATOM 0 HD23 LEU A 50 9.588 1.654 9.198 1.00 0.91 H new ATOM 810 N PRO A 51 9.841 2.822 13.501 1.00 0.57 N ATOM 811 CA PRO A 51 10.005 3.415 14.825 1.00 0.64 C ATOM 812 C PRO A 51 8.791 4.258 15.220 1.00 0.63 C ATOM 813 O PRO A 51 7.907 4.514 14.400 1.00 0.66 O ATOM 814 CB PRO A 51 11.252 4.283 14.673 1.00 0.73 C ATOM 815 CG PRO A 51 11.355 4.606 13.221 1.00 0.74 C ATOM 816 CD PRO A 51 10.613 3.531 12.465 1.00 0.61 C ATOM 0 HA PRO A 51 10.099 2.666 15.611 1.00 0.64 H new ATOM 0 HB2 PRO A 51 11.170 5.191 15.270 1.00 0.73 H new ATOM 0 HB3 PRO A 51 12.140 3.754 15.019 1.00 0.73 H new ATOM 0 HG2 PRO A 51 10.925 5.586 13.015 1.00 0.74 H new ATOM 0 HG3 PRO A 51 12.399 4.643 12.909 1.00 0.74 H new ATOM 0 HD2 PRO A 51 9.959 3.959 11.705 1.00 0.61 H new ATOM 0 HD3 PRO A 51 11.301 2.859 11.952 1.00 0.61 H new ATOM 824 N GLU A 52 8.749 4.690 16.475 1.00 0.71 N ATOM 825 CA GLU A 52 7.634 5.487 16.970 1.00 0.76 C ATOM 826 C GLU A 52 7.623 6.876 16.332 1.00 0.75 C ATOM 827 O GLU A 52 8.669 7.505 16.170 1.00 0.82 O ATOM 828 CB GLU A 52 7.707 5.610 18.490 1.00 0.88 C ATOM 829 CG GLU A 52 6.406 6.070 19.127 1.00 1.52 C ATOM 830 CD GLU A 52 6.554 7.370 19.887 1.00 1.98 C ATOM 831 OE1 GLU A 52 7.076 7.342 21.022 1.00 2.38 O1- ATOM 832 OE2 GLU A 52 6.153 8.425 19.355 1.00 2.63 O ATOM 0 H GLU A 52 9.474 4.502 17.168 1.00 0.71 H new ATOM 0 HA GLU A 52 6.709 4.979 16.696 1.00 0.76 H new ATOM 0 HB2 GLU A 52 7.986 4.644 18.911 1.00 0.88 H new ATOM 0 HB3 GLU A 52 8.498 6.313 18.752 1.00 0.88 H new ATOM 0 HG2 GLU A 52 5.650 6.192 18.351 1.00 1.52 H new ATOM 0 HG3 GLU A 52 6.045 5.297 19.805 1.00 1.52 H new ATOM 839 N GLY A 53 6.435 7.335 15.957 1.00 0.76 N ATOM 840 CA GLY A 53 6.297 8.641 15.339 1.00 0.77 C ATOM 841 C GLY A 53 6.177 8.547 13.835 1.00 0.72 C ATOM 842 O GLY A 53 5.660 9.457 13.179 1.00 0.82 O ATOM 0 H GLY A 53 5.560 6.823 16.071 1.00 0.76 H new ATOM 0 HA2 GLY A 53 5.417 9.141 15.742 1.00 0.77 H new ATOM 0 HA3 GLY A 53 7.159 9.256 15.596 1.00 0.77 H new ATOM 846 N VAL A 54 6.647 7.441 13.282 1.00 0.69 N ATOM 847 CA VAL A 54 6.590 7.226 11.851 1.00 0.65 C ATOM 848 C VAL A 54 5.321 6.470 11.486 1.00 0.65 C ATOM 849 O VAL A 54 5.185 5.282 11.784 1.00 0.74 O ATOM 850 CB VAL A 54 7.825 6.452 11.348 1.00 0.64 C ATOM 851 CG1 VAL A 54 7.874 6.440 9.829 1.00 0.85 C ATOM 852 CG2 VAL A 54 9.103 7.054 11.915 1.00 1.03 C ATOM 0 H VAL A 54 7.073 6.677 13.807 1.00 0.69 H new ATOM 0 HA VAL A 54 6.583 8.202 11.366 1.00 0.65 H new ATOM 0 HB VAL A 54 7.743 5.422 11.696 1.00 0.64 H new ATOM 0 HG11 VAL A 54 8.754 5.888 9.498 1.00 0.85 H new ATOM 0 HG12 VAL A 54 6.976 5.959 9.440 1.00 0.85 H new ATOM 0 HG13 VAL A 54 7.927 7.464 9.459 1.00 0.85 H new ATOM 0 HG21 VAL A 54 9.963 6.494 11.548 1.00 1.03 H new ATOM 0 HG22 VAL A 54 9.186 8.094 11.600 1.00 1.03 H new ATOM 0 HG23 VAL A 54 9.076 7.006 13.004 1.00 1.03 H new ATOM 862 N LYS A 55 4.385 7.170 10.865 1.00 0.64 N ATOM 863 CA LYS A 55 3.123 6.564 10.471 1.00 0.66 C ATOM 864 C LYS A 55 3.216 5.975 9.065 1.00 0.58 C ATOM 865 O LYS A 55 4.052 6.390 8.256 1.00 0.61 O ATOM 866 CB LYS A 55 1.983 7.593 10.543 1.00 0.76 C ATOM 867 CG LYS A 55 2.000 8.620 9.423 1.00 1.35 C ATOM 868 CD LYS A 55 0.769 9.513 9.464 1.00 1.43 C ATOM 869 CE LYS A 55 0.754 10.498 8.305 1.00 2.21 C ATOM 870 NZ LYS A 55 -0.524 11.260 8.232 1.00 2.51 N1+ ATOM 0 H LYS A 55 4.475 8.157 10.623 1.00 0.64 H new ATOM 0 HA LYS A 55 2.907 5.754 11.168 1.00 0.66 H new ATOM 0 HB2 LYS A 55 1.030 7.065 10.522 1.00 0.76 H new ATOM 0 HB3 LYS A 55 2.038 8.113 11.499 1.00 0.76 H new ATOM 0 HG2 LYS A 55 2.898 9.233 9.504 1.00 1.35 H new ATOM 0 HG3 LYS A 55 2.048 8.110 8.461 1.00 1.35 H new ATOM 0 HD2 LYS A 55 -0.130 8.897 9.431 1.00 1.43 H new ATOM 0 HD3 LYS A 55 0.746 10.059 10.407 1.00 1.43 H new ATOM 0 HE2 LYS A 55 1.585 11.195 8.412 1.00 2.21 H new ATOM 0 HE3 LYS A 55 0.908 9.959 7.370 1.00 2.21 H new ATOM 0 HZ1 LYS A 55 -0.490 11.919 7.428 1.00 2.51 H new ATOM 0 HZ2 LYS A 55 -1.316 10.598 8.104 1.00 2.51 H new ATOM 0 HZ3 LYS A 55 -0.660 11.796 9.113 1.00 2.51 H new ATOM 884 N MET A 56 2.352 5.012 8.786 1.00 0.55 N ATOM 885 CA MET A 56 2.319 4.359 7.491 1.00 0.50 C ATOM 886 C MET A 56 1.066 4.782 6.734 1.00 0.47 C ATOM 887 O MET A 56 0.013 4.993 7.335 1.00 0.59 O ATOM 888 CB MET A 56 2.349 2.842 7.665 1.00 0.57 C ATOM 889 CG MET A 56 2.633 2.089 6.378 1.00 0.85 C ATOM 890 SD MET A 56 2.712 0.307 6.624 1.00 1.09 S ATOM 891 CE MET A 56 3.489 -0.200 5.093 1.00 1.28 C ATOM 0 H MET A 56 1.658 4.664 9.448 1.00 0.55 H new ATOM 0 HA MET A 56 3.196 4.658 6.917 1.00 0.50 H new ATOM 0 HB2 MET A 56 3.109 2.584 8.402 1.00 0.57 H new ATOM 0 HB3 MET A 56 1.391 2.511 8.066 1.00 0.57 H new ATOM 0 HG2 MET A 56 1.856 2.318 5.648 1.00 0.85 H new ATOM 0 HG3 MET A 56 3.577 2.437 5.958 1.00 0.85 H new ATOM 0 HE1 MET A 56 2.787 -0.794 4.508 1.00 1.28 H new ATOM 0 HE2 MET A 56 3.780 0.682 4.523 1.00 1.28 H new ATOM 0 HE3 MET A 56 4.373 -0.797 5.314 1.00 1.28 H new ATOM 901 N THR A 57 1.188 4.930 5.424 1.00 0.42 N ATOM 902 CA THR A 57 0.064 5.335 4.595 1.00 0.43 C ATOM 903 C THR A 57 -0.084 4.409 3.392 1.00 0.41 C ATOM 904 O THR A 57 0.726 4.443 2.464 1.00 0.47 O ATOM 905 CB THR A 57 0.231 6.790 4.121 1.00 0.48 C ATOM 906 OG1 THR A 57 1.502 7.301 4.551 1.00 0.60 O ATOM 907 CG2 THR A 57 -0.882 7.668 4.669 1.00 0.61 C ATOM 0 H THR A 57 2.056 4.775 4.911 1.00 0.42 H new ATOM 0 HA THR A 57 -0.839 5.266 5.201 1.00 0.43 H new ATOM 0 HB THR A 57 0.181 6.803 3.032 1.00 0.48 H new ATOM 0 HG1 THR A 57 2.211 6.676 4.292 1.00 0.60 H new ATOM 0 HG21 THR A 57 -0.743 8.691 4.321 1.00 0.61 H new ATOM 0 HG22 THR A 57 -1.845 7.294 4.321 1.00 0.61 H new ATOM 0 HG23 THR A 57 -0.857 7.649 5.759 1.00 0.61 H new ATOM 915 N LYS A 58 -1.118 3.584 3.426 1.00 0.39 N ATOM 916 CA LYS A 58 -1.393 2.626 2.360 1.00 0.39 C ATOM 917 C LYS A 58 -2.380 3.225 1.354 1.00 0.37 C ATOM 918 O LYS A 58 -3.518 3.529 1.705 1.00 0.43 O ATOM 919 CB LYS A 58 -1.961 1.340 2.982 1.00 0.47 C ATOM 920 CG LYS A 58 -2.051 0.163 2.028 1.00 0.77 C ATOM 921 CD LYS A 58 -2.645 -1.064 2.717 1.00 0.84 C ATOM 922 CE LYS A 58 -1.598 -1.860 3.482 1.00 0.86 C ATOM 923 NZ LYS A 58 -0.902 -2.840 2.608 1.00 0.70 N1+ ATOM 0 H LYS A 58 -1.792 3.557 4.191 1.00 0.39 H new ATOM 0 HA LYS A 58 -0.472 2.391 1.827 1.00 0.39 H new ATOM 0 HB2 LYS A 58 -1.338 1.056 3.830 1.00 0.47 H new ATOM 0 HB3 LYS A 58 -2.956 1.550 3.374 1.00 0.47 H new ATOM 0 HG2 LYS A 58 -2.665 0.434 1.169 1.00 0.77 H new ATOM 0 HG3 LYS A 58 -1.058 -0.076 1.647 1.00 0.77 H new ATOM 0 HD2 LYS A 58 -3.431 -0.748 3.403 1.00 0.84 H new ATOM 0 HD3 LYS A 58 -3.113 -1.706 1.971 1.00 0.84 H new ATOM 0 HE2 LYS A 58 -0.868 -1.177 3.916 1.00 0.86 H new ATOM 0 HE3 LYS A 58 -2.074 -2.385 4.310 1.00 0.86 H new ATOM 0 HZ1 LYS A 58 -0.533 -3.621 3.187 1.00 0.70 H new ATOM 0 HZ2 LYS A 58 -1.571 -3.216 1.906 1.00 0.70 H new ATOM 0 HZ3 LYS A 58 -0.114 -2.370 2.118 1.00 0.70 H new ATOM 937 N TYR A 59 -1.942 3.401 0.109 1.00 0.36 N ATOM 938 CA TYR A 59 -2.791 3.979 -0.934 1.00 0.39 C ATOM 939 C TYR A 59 -3.097 2.969 -2.036 1.00 0.37 C ATOM 940 O TYR A 59 -2.395 1.971 -2.198 1.00 0.36 O ATOM 941 CB TYR A 59 -2.115 5.211 -1.545 1.00 0.45 C ATOM 942 CG TYR A 59 -2.220 6.475 -0.706 1.00 0.48 C ATOM 943 CD1 TYR A 59 -2.853 6.478 0.536 1.00 0.56 C ATOM 944 CD2 TYR A 59 -1.685 7.674 -1.165 1.00 0.52 C ATOM 945 CE1 TYR A 59 -2.952 7.633 1.285 1.00 0.62 C ATOM 946 CE2 TYR A 59 -1.782 8.834 -0.416 1.00 0.60 C ATOM 947 CZ TYR A 59 -2.416 8.804 0.806 1.00 0.62 C ATOM 948 OH TYR A 59 -2.512 9.957 1.552 1.00 0.71 O ATOM 0 H TYR A 59 -1.004 3.152 -0.204 1.00 0.36 H new ATOM 0 HA TYR A 59 -3.732 4.269 -0.466 1.00 0.39 H new ATOM 0 HB2 TYR A 59 -1.061 4.986 -1.709 1.00 0.45 H new ATOM 0 HB3 TYR A 59 -2.556 5.403 -2.523 1.00 0.45 H new ATOM 0 HD1 TYR A 59 -3.274 5.560 0.919 1.00 0.56 H new ATOM 0 HD2 TYR A 59 -1.185 7.700 -2.122 1.00 0.52 H new ATOM 0 HE1 TYR A 59 -3.449 7.616 2.244 1.00 0.62 H new ATOM 0 HE2 TYR A 59 -1.363 9.757 -0.788 1.00 0.60 H new ATOM 0 HH TYR A 59 -1.629 10.376 1.622 1.00 0.71 H new ATOM 958 N HIS A 60 -4.141 3.252 -2.808 1.00 0.39 N ATOM 959 CA HIS A 60 -4.559 2.381 -3.900 1.00 0.40 C ATOM 960 C HIS A 60 -4.184 2.983 -5.256 1.00 0.42 C ATOM 961 O HIS A 60 -4.262 4.196 -5.446 1.00 0.46 O ATOM 962 CB HIS A 60 -6.074 2.143 -3.835 1.00 0.44 C ATOM 963 CG HIS A 60 -6.550 1.085 -4.779 1.00 0.46 C ATOM 964 ND1 HIS A 60 -7.252 1.358 -5.928 1.00 0.49 N ATOM 965 CD2 HIS A 60 -6.385 -0.254 -4.755 1.00 0.54 C ATOM 966 CE1 HIS A 60 -7.500 0.237 -6.567 1.00 0.51 C ATOM 967 NE2 HIS A 60 -6.980 -0.767 -5.884 1.00 0.57 N ATOM 0 H HIS A 60 -4.718 4.086 -2.695 1.00 0.39 H new ATOM 0 HA HIS A 60 -4.040 1.429 -3.792 1.00 0.40 H new ATOM 0 HB2 HIS A 60 -6.347 1.861 -2.818 1.00 0.44 H new ATOM 0 HB3 HIS A 60 -6.591 3.077 -4.057 1.00 0.44 H new ATOM 0 HD1 HIS A 60 -7.537 2.287 -6.237 1.00 0.49 H new ATOM 0 HD2 HIS A 60 -5.878 -0.820 -3.988 1.00 0.54 H new ATOM 0 HE1 HIS A 60 -8.040 0.151 -7.498 1.00 0.51 H new ATOM 976 N VAL A 61 -3.771 2.129 -6.192 1.00 0.44 N ATOM 977 CA VAL A 61 -3.395 2.576 -7.533 1.00 0.48 C ATOM 978 C VAL A 61 -4.553 2.391 -8.514 1.00 0.49 C ATOM 979 O VAL A 61 -5.361 1.472 -8.370 1.00 0.51 O ATOM 980 CB VAL A 61 -2.150 1.825 -8.052 1.00 0.52 C ATOM 981 CG1 VAL A 61 -0.952 2.095 -7.157 1.00 0.68 C ATOM 982 CG2 VAL A 61 -2.409 0.329 -8.148 1.00 0.55 C ATOM 0 H VAL A 61 -3.688 1.123 -6.046 1.00 0.44 H new ATOM 0 HA VAL A 61 -3.153 3.637 -7.462 1.00 0.48 H new ATOM 0 HB VAL A 61 -1.931 2.196 -9.053 1.00 0.52 H new ATOM 0 HG11 VAL A 61 -0.084 1.557 -7.539 1.00 0.68 H new ATOM 0 HG12 VAL A 61 -0.740 3.164 -7.145 1.00 0.68 H new ATOM 0 HG13 VAL A 61 -1.171 1.758 -6.144 1.00 0.68 H new ATOM 0 HG21 VAL A 61 -1.514 -0.172 -8.516 1.00 0.55 H new ATOM 0 HG22 VAL A 61 -2.663 -0.060 -7.162 1.00 0.55 H new ATOM 0 HG23 VAL A 61 -3.236 0.146 -8.834 1.00 0.55 H new ATOM 992 N ASN A 62 -4.623 3.252 -9.518 1.00 0.54 N ATOM 993 CA ASN A 62 -5.703 3.195 -10.500 1.00 0.57 C ATOM 994 C ASN A 62 -5.338 2.374 -11.736 1.00 0.58 C ATOM 995 O ASN A 62 -6.215 1.982 -12.502 1.00 0.76 O ATOM 996 CB ASN A 62 -6.091 4.603 -10.948 1.00 0.67 C ATOM 997 CG ASN A 62 -7.090 5.273 -10.026 1.00 0.69 C ATOM 998 OD1 ASN A 62 -7.836 4.614 -9.299 1.00 0.77 O ATOM 999 ND2 ASN A 62 -7.118 6.596 -10.065 1.00 0.93 N ATOM 0 H ASN A 62 -3.947 3.999 -9.677 1.00 0.54 H new ATOM 0 HA ASN A 62 -6.540 2.705 -10.003 1.00 0.57 H new ATOM 0 HB2 ASN A 62 -5.193 5.218 -11.007 1.00 0.67 H new ATOM 0 HB3 ASN A 62 -6.511 4.554 -11.953 1.00 0.67 H new ATOM 0 HD21 ASN A 62 -7.775 7.110 -9.478 1.00 0.93 H new ATOM 0 HD22 ASN A 62 -6.482 7.102 -10.682 1.00 0.93 H new ATOM 1006 N PHE A 63 -4.051 2.111 -11.941 1.00 0.54 N ATOM 1007 CA PHE A 63 -3.616 1.354 -13.120 1.00 0.55 C ATOM 1008 C PHE A 63 -3.729 -0.157 -12.925 1.00 0.54 C ATOM 1009 O PHE A 63 -3.251 -0.937 -13.748 1.00 0.62 O ATOM 1010 CB PHE A 63 -2.188 1.739 -13.523 1.00 0.57 C ATOM 1011 CG PHE A 63 -1.154 1.519 -12.453 1.00 0.57 C ATOM 1012 CD1 PHE A 63 -0.860 2.519 -11.539 1.00 0.65 C ATOM 1013 CD2 PHE A 63 -0.468 0.318 -12.368 1.00 0.62 C ATOM 1014 CE1 PHE A 63 0.093 2.321 -10.561 1.00 0.74 C ATOM 1015 CE2 PHE A 63 0.485 0.118 -11.392 1.00 0.70 C ATOM 1016 CZ PHE A 63 0.766 1.119 -10.488 1.00 0.74 C ATOM 0 H PHE A 63 -3.298 2.404 -11.319 1.00 0.54 H new ATOM 0 HA PHE A 63 -4.295 1.623 -13.929 1.00 0.55 H new ATOM 0 HB2 PHE A 63 -1.906 1.165 -14.405 1.00 0.57 H new ATOM 0 HB3 PHE A 63 -2.177 2.790 -13.810 1.00 0.57 H new ATOM 0 HD1 PHE A 63 -1.382 3.463 -11.593 1.00 0.65 H new ATOM 0 HD2 PHE A 63 -0.682 -0.470 -13.074 1.00 0.62 H new ATOM 0 HE1 PHE A 63 0.312 3.107 -9.853 1.00 0.74 H new ATOM 0 HE2 PHE A 63 1.011 -0.823 -11.336 1.00 0.70 H new ATOM 0 HZ PHE A 63 1.512 0.963 -9.723 1.00 0.74 H new ATOM 1026 N MET A 64 -4.379 -0.568 -11.849 1.00 0.52 N ATOM 1027 CA MET A 64 -4.557 -1.985 -11.565 1.00 0.53 C ATOM 1028 C MET A 64 -5.993 -2.285 -11.160 1.00 0.55 C ATOM 1029 O MET A 64 -6.369 -2.133 -9.995 1.00 0.60 O ATOM 1030 CB MET A 64 -3.591 -2.449 -10.474 1.00 0.57 C ATOM 1031 CG MET A 64 -2.347 -3.143 -11.008 1.00 0.64 C ATOM 1032 SD MET A 64 -2.469 -4.944 -10.944 1.00 1.06 S ATOM 1033 CE MET A 64 -3.572 -5.264 -12.316 1.00 1.09 C ATOM 0 H MET A 64 -4.792 0.058 -11.157 1.00 0.52 H new ATOM 0 HA MET A 64 -4.336 -2.536 -12.479 1.00 0.53 H new ATOM 0 HB2 MET A 64 -3.288 -1.587 -9.880 1.00 0.57 H new ATOM 0 HB3 MET A 64 -4.115 -3.130 -9.803 1.00 0.57 H new ATOM 0 HG2 MET A 64 -2.177 -2.831 -12.038 1.00 0.64 H new ATOM 0 HG3 MET A 64 -1.481 -2.821 -10.430 1.00 0.64 H new ATOM 0 HE1 MET A 64 -3.672 -6.340 -12.459 1.00 1.09 H new ATOM 0 HE2 MET A 64 -4.551 -4.833 -12.104 1.00 1.09 H new ATOM 0 HE3 MET A 64 -3.166 -4.814 -13.222 1.00 1.09 H new ATOM 1043 N GLY A 65 -6.787 -2.715 -12.129 1.00 0.59 N ATOM 1044 CA GLY A 65 -8.172 -3.030 -11.869 1.00 0.64 C ATOM 1045 C GLY A 65 -9.112 -2.346 -12.837 1.00 0.66 C ATOM 1046 O GLY A 65 -10.328 -2.507 -12.750 1.00 0.78 O ATOM 0 H GLY A 65 -6.492 -2.851 -13.096 1.00 0.59 H new ATOM 0 HA2 GLY A 65 -8.314 -4.109 -11.931 1.00 0.64 H new ATOM 0 HA3 GLY A 65 -8.424 -2.733 -10.851 1.00 0.64 H new ATOM 1050 N GLY A 66 -8.546 -1.581 -13.760 1.00 0.65 N ATOM 1051 CA GLY A 66 -9.344 -0.872 -14.745 1.00 0.71 C ATOM 1052 C GLY A 66 -10.284 0.135 -14.118 1.00 0.75 C ATOM 1053 O GLY A 66 -9.872 0.951 -13.291 1.00 0.81 O ATOM 0 H GLY A 66 -7.540 -1.437 -13.846 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -8.682 -0.360 -15.443 1.00 0.71 H new ATOM 0 HA3 GLY A 66 -9.922 -1.592 -15.324 1.00 0.71 H new ATOM 1057 N ASP A 67 -11.553 0.067 -14.498 1.00 0.84 N ATOM 1058 CA ASP A 67 -12.563 0.980 -13.963 1.00 0.96 C ATOM 1059 C ASP A 67 -12.893 0.596 -12.529 1.00 0.91 C ATOM 1060 O ASP A 67 -13.080 1.461 -11.668 1.00 0.93 O ATOM 1061 CB ASP A 67 -13.838 0.964 -14.814 1.00 1.19 C ATOM 1062 CG ASP A 67 -14.859 1.979 -14.331 1.00 1.83 C ATOM 1063 OD1 ASP A 67 -14.763 3.163 -14.724 1.00 2.46 O ATOM 1064 OD2 ASP A 67 -15.764 1.599 -13.559 1.00 2.47 O1- ATOM 0 H ASP A 67 -11.910 -0.609 -15.173 1.00 0.84 H new ATOM 0 HA ASP A 67 -12.155 1.990 -13.988 1.00 0.96 H new ATOM 0 HB2 ASP A 67 -13.583 1.173 -15.853 1.00 1.19 H new ATOM 0 HB3 ASP A 67 -14.278 -0.033 -14.788 1.00 1.19 H new ATOM 1069 N LEU A 68 -12.935 -0.712 -12.279 1.00 0.89 N ATOM 1070 CA LEU A 68 -13.227 -1.238 -10.951 1.00 0.89 C ATOM 1071 C LEU A 68 -12.137 -0.817 -9.976 1.00 0.79 C ATOM 1072 O LEU A 68 -12.366 -0.700 -8.771 1.00 0.82 O ATOM 1073 CB LEU A 68 -13.337 -2.766 -10.982 1.00 0.96 C ATOM 1074 CG LEU A 68 -14.419 -3.337 -11.906 1.00 1.18 C ATOM 1075 CD1 LEU A 68 -14.376 -4.860 -11.903 1.00 1.94 C ATOM 1076 CD2 LEU A 68 -15.800 -2.843 -11.491 1.00 1.07 C ATOM 0 H LEU A 68 -12.769 -1.429 -12.985 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.183 -0.831 -10.622 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -12.373 -3.175 -11.286 1.00 0.96 H new ATOM 0 HB3 LEU A 68 -13.528 -3.119 -9.968 1.00 0.96 H new ATOM 0 HG LEU A 68 -14.220 -2.987 -12.919 1.00 1.18 H new ATOM 0 HD11 LEU A 68 -15.151 -5.247 -12.564 1.00 1.94 H new ATOM 0 HD12 LEU A 68 -13.400 -5.197 -12.252 1.00 1.94 H new ATOM 0 HD13 LEU A 68 -14.546 -5.227 -10.891 1.00 1.94 H new ATOM 0 HD21 LEU A 68 -16.552 -3.261 -12.160 1.00 1.07 H new ATOM 0 HD22 LEU A 68 -16.008 -3.160 -10.469 1.00 1.07 H new ATOM 0 HD23 LEU A 68 -15.829 -1.755 -11.547 1.00 1.07 H new ATOM 1088 N GLY A 69 -10.946 -0.593 -10.513 1.00 0.70 N ATOM 1089 CA GLY A 69 -9.832 -0.166 -9.703 1.00 0.65 C ATOM 1090 C GLY A 69 -10.065 1.204 -9.103 1.00 0.64 C ATOM 1091 O GLY A 69 -9.804 1.418 -7.921 1.00 0.63 O ATOM 0 H GLY A 69 -10.734 -0.702 -11.505 1.00 0.70 H new ATOM 0 HA2 GLY A 69 -9.665 -0.889 -8.904 1.00 0.65 H new ATOM 0 HA3 GLY A 69 -8.927 -0.148 -10.310 1.00 0.65 H new ATOM 1095 N LYS A 70 -10.582 2.123 -9.910 1.00 0.68 N ATOM 1096 CA LYS A 70 -10.847 3.480 -9.444 1.00 0.71 C ATOM 1097 C LYS A 70 -11.908 3.463 -8.348 1.00 0.73 C ATOM 1098 O LYS A 70 -11.840 4.242 -7.397 1.00 0.74 O ATOM 1099 CB LYS A 70 -11.283 4.370 -10.609 1.00 0.79 C ATOM 1100 CG LYS A 70 -10.951 5.846 -10.417 1.00 0.89 C ATOM 1101 CD LYS A 70 -12.189 6.667 -10.074 1.00 1.35 C ATOM 1102 CE LYS A 70 -12.032 8.119 -10.502 1.00 1.83 C ATOM 1103 NZ LYS A 70 -11.273 8.923 -9.505 1.00 2.69 N1+ ATOM 0 H LYS A 70 -10.825 1.955 -10.886 1.00 0.68 H new ATOM 0 HA LYS A 70 -9.928 3.893 -9.027 1.00 0.71 H new ATOM 0 HB2 LYS A 70 -10.805 4.016 -11.522 1.00 0.79 H new ATOM 0 HB3 LYS A 70 -12.359 4.265 -10.751 1.00 0.79 H new ATOM 0 HG2 LYS A 70 -10.213 5.952 -9.621 1.00 0.89 H new ATOM 0 HG3 LYS A 70 -10.497 6.237 -11.327 1.00 0.89 H new ATOM 0 HD2 LYS A 70 -13.061 6.234 -10.564 1.00 1.35 H new ATOM 0 HD3 LYS A 70 -12.371 6.621 -9.000 1.00 1.35 H new ATOM 0 HE2 LYS A 70 -11.520 8.159 -11.463 1.00 1.83 H new ATOM 0 HE3 LYS A 70 -13.018 8.561 -10.648 1.00 1.83 H new ATOM 0 HZ1 LYS A 70 -11.364 9.934 -9.732 1.00 2.69 H new ATOM 0 HZ2 LYS A 70 -11.655 8.746 -8.554 1.00 2.69 H new ATOM 0 HZ3 LYS A 70 -10.269 8.651 -9.531 1.00 2.69 H new ATOM 1117 N ASP A 71 -12.873 2.556 -8.483 1.00 0.76 N ATOM 1118 CA ASP A 71 -13.944 2.410 -7.494 1.00 0.81 C ATOM 1119 C ASP A 71 -13.353 2.017 -6.145 1.00 0.75 C ATOM 1120 O ASP A 71 -13.720 2.559 -5.101 1.00 0.77 O ATOM 1121 CB ASP A 71 -14.953 1.350 -7.954 1.00 0.88 C ATOM 1122 CG ASP A 71 -16.364 1.894 -8.094 1.00 1.06 C ATOM 1123 OD1 ASP A 71 -16.719 2.375 -9.198 1.00 1.65 O1- ATOM 1124 OD2 ASP A 71 -17.125 1.843 -7.111 1.00 1.58 O ATOM 0 H ASP A 71 -12.937 1.909 -9.269 1.00 0.76 H new ATOM 0 HA ASP A 71 -14.462 3.364 -7.393 1.00 0.81 H new ATOM 0 HB2 ASP A 71 -14.631 0.941 -8.912 1.00 0.88 H new ATOM 0 HB3 ASP A 71 -14.956 0.526 -7.240 1.00 0.88 H new ATOM 1129 N LEU A 72 -12.401 1.084 -6.184 1.00 0.70 N ATOM 1130 CA LEU A 72 -11.734 0.619 -4.978 1.00 0.67 C ATOM 1131 C LEU A 72 -10.939 1.748 -4.333 1.00 0.61 C ATOM 1132 O LEU A 72 -10.833 1.816 -3.115 1.00 0.60 O ATOM 1133 CB LEU A 72 -10.794 -0.546 -5.296 1.00 0.66 C ATOM 1134 CG LEU A 72 -11.466 -1.813 -5.824 1.00 0.95 C ATOM 1135 CD1 LEU A 72 -10.419 -2.813 -6.267 1.00 1.05 C ATOM 1136 CD2 LEU A 72 -12.362 -2.431 -4.767 1.00 1.17 C ATOM 0 H LEU A 72 -12.077 0.638 -7.042 1.00 0.70 H new ATOM 0 HA LEU A 72 -12.502 0.280 -4.282 1.00 0.67 H new ATOM 0 HB2 LEU A 72 -10.064 -0.210 -6.033 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -10.241 -0.800 -4.392 1.00 0.66 H new ATOM 0 HG LEU A 72 -12.083 -1.540 -6.680 1.00 0.95 H new ATOM 0 HD11 LEU A 72 -10.909 -3.712 -6.641 1.00 1.05 H new ATOM 0 HD12 LEU A 72 -9.810 -2.376 -7.058 1.00 1.05 H new ATOM 0 HD13 LEU A 72 -9.783 -3.073 -5.421 1.00 1.05 H new ATOM 0 HD21 LEU A 72 -12.829 -3.331 -5.167 1.00 1.17 H new ATOM 0 HD22 LEU A 72 -11.767 -2.689 -3.891 1.00 1.17 H new ATOM 0 HD23 LEU A 72 -13.135 -1.717 -4.483 1.00 1.17 H new ATOM 1148 N THR A 73 -10.381 2.624 -5.160 1.00 0.60 N ATOM 1149 CA THR A 73 -9.593 3.750 -4.668 1.00 0.57 C ATOM 1150 C THR A 73 -10.446 4.685 -3.806 1.00 0.62 C ATOM 1151 O THR A 73 -9.971 5.228 -2.804 1.00 0.62 O ATOM 1152 CB THR A 73 -8.969 4.541 -5.838 1.00 0.57 C ATOM 1153 OG1 THR A 73 -8.412 3.633 -6.796 1.00 0.56 O ATOM 1154 CG2 THR A 73 -7.876 5.475 -5.349 1.00 0.56 C ATOM 0 H THR A 73 -10.459 2.577 -6.176 1.00 0.60 H new ATOM 0 HA THR A 73 -8.791 3.343 -4.052 1.00 0.57 H new ATOM 0 HB THR A 73 -9.758 5.136 -6.298 1.00 0.57 H new ATOM 0 HG1 THR A 73 -8.271 4.100 -7.646 1.00 0.56 H new ATOM 0 HG21 THR A 73 -7.456 6.018 -6.196 1.00 0.56 H new ATOM 0 HG22 THR A 73 -8.296 6.184 -4.635 1.00 0.56 H new ATOM 0 HG23 THR A 73 -7.091 4.894 -4.865 1.00 0.56 H new ATOM 1162 N GLN A 74 -11.708 4.856 -4.183 1.00 0.67 N ATOM 1163 CA GLN A 74 -12.610 5.713 -3.429 1.00 0.73 C ATOM 1164 C GLN A 74 -13.073 5.009 -2.157 1.00 0.72 C ATOM 1165 O GLN A 74 -13.066 5.598 -1.077 1.00 0.74 O ATOM 1166 CB GLN A 74 -13.816 6.133 -4.277 1.00 0.81 C ATOM 1167 CG GLN A 74 -14.671 7.213 -3.623 1.00 0.90 C ATOM 1168 CD GLN A 74 -15.626 7.878 -4.596 1.00 1.06 C ATOM 1169 OE1 GLN A 74 -15.346 7.971 -5.787 1.00 1.14 O ATOM 1170 NE2 GLN A 74 -16.763 8.345 -4.098 1.00 1.21 N ATOM 0 H GLN A 74 -12.126 4.415 -5.002 1.00 0.67 H new ATOM 0 HA GLN A 74 -12.064 6.615 -3.153 1.00 0.73 H new ATOM 0 HB2 GLN A 74 -13.463 6.495 -5.243 1.00 0.81 H new ATOM 0 HB3 GLN A 74 -14.436 5.258 -4.472 1.00 0.81 H new ATOM 0 HG2 GLN A 74 -15.241 6.772 -2.805 1.00 0.90 H new ATOM 0 HG3 GLN A 74 -14.020 7.970 -3.186 1.00 0.90 H new ATOM 0 HE21 GLN A 74 -16.961 8.249 -3.102 1.00 1.21 H new ATOM 0 HE22 GLN A 74 -17.440 8.800 -4.711 1.00 1.21 H new ATOM 1179 N ALA A 75 -13.448 3.738 -2.283 1.00 0.71 N ATOM 1180 CA ALA A 75 -13.905 2.954 -1.140 1.00 0.70 C ATOM 1181 C ALA A 75 -12.794 2.813 -0.105 1.00 0.64 C ATOM 1182 O ALA A 75 -13.039 2.868 1.103 1.00 0.65 O ATOM 1183 CB ALA A 75 -14.382 1.588 -1.604 1.00 0.71 C ATOM 0 H ALA A 75 -13.444 3.229 -3.167 1.00 0.71 H new ATOM 0 HA ALA A 75 -14.739 3.475 -0.670 1.00 0.70 H new ATOM 0 HB1 ALA A 75 -14.721 1.010 -0.745 1.00 0.71 H new ATOM 0 HB2 ALA A 75 -15.206 1.710 -2.307 1.00 0.71 H new ATOM 0 HB3 ALA A 75 -13.562 1.063 -2.094 1.00 0.71 H new ATOM 1189 N TRP A 76 -11.572 2.648 -0.596 1.00 0.59 N ATOM 1190 CA TRP A 76 -10.405 2.507 0.264 1.00 0.54 C ATOM 1191 C TRP A 76 -10.207 3.751 1.123 1.00 0.56 C ATOM 1192 O TRP A 76 -9.837 3.654 2.295 1.00 0.55 O ATOM 1193 CB TRP A 76 -9.155 2.247 -0.581 1.00 0.50 C ATOM 1194 CG TRP A 76 -7.917 2.069 0.236 1.00 0.46 C ATOM 1195 CD1 TRP A 76 -6.809 2.860 0.214 1.00 0.46 C ATOM 1196 CD2 TRP A 76 -7.666 1.043 1.201 1.00 0.45 C ATOM 1197 NE1 TRP A 76 -5.886 2.396 1.115 1.00 0.44 N ATOM 1198 CE2 TRP A 76 -6.385 1.278 1.728 1.00 0.44 C ATOM 1199 CE3 TRP A 76 -8.400 -0.050 1.671 1.00 0.46 C ATOM 1200 CZ2 TRP A 76 -5.823 0.460 2.701 1.00 0.44 C ATOM 1201 CZ3 TRP A 76 -7.839 -0.863 2.635 1.00 0.47 C ATOM 1202 CH2 TRP A 76 -6.558 -0.603 3.139 1.00 0.46 C ATOM 0 H TRP A 76 -11.363 2.608 -1.594 1.00 0.59 H new ATOM 0 HA TRP A 76 -10.571 1.657 0.926 1.00 0.54 H new ATOM 0 HB2 TRP A 76 -9.314 1.355 -1.187 1.00 0.50 H new ATOM 0 HB3 TRP A 76 -9.011 3.079 -1.270 1.00 0.50 H new ATOM 0 HD1 TRP A 76 -6.677 3.725 -0.419 1.00 0.46 H new ATOM 0 HE1 TRP A 76 -4.975 2.816 1.299 1.00 0.44 H new ATOM 0 HE3 TRP A 76 -9.388 -0.255 1.287 1.00 0.46 H new ATOM 0 HZ2 TRP A 76 -4.838 0.659 3.097 1.00 0.44 H new ATOM 0 HZ3 TRP A 76 -8.395 -1.711 3.006 1.00 0.47 H new ATOM 0 HH2 TRP A 76 -6.143 -1.258 3.891 1.00 0.46 H new ATOM 1213 N ALA A 77 -10.474 4.916 0.543 1.00 0.61 N ATOM 1214 CA ALA A 77 -10.333 6.174 1.261 1.00 0.65 C ATOM 1215 C ALA A 77 -11.311 6.228 2.432 1.00 0.69 C ATOM 1216 O ALA A 77 -11.007 6.781 3.490 1.00 0.71 O ATOM 1217 CB ALA A 77 -10.543 7.348 0.318 1.00 0.70 C ATOM 0 H ALA A 77 -10.789 5.014 -0.422 1.00 0.61 H new ATOM 0 HA ALA A 77 -9.321 6.240 1.661 1.00 0.65 H new ATOM 0 HB1 ALA A 77 -10.434 8.282 0.870 1.00 0.70 H new ATOM 0 HB2 ALA A 77 -9.802 7.310 -0.481 1.00 0.70 H new ATOM 0 HB3 ALA A 77 -11.543 7.295 -0.112 1.00 0.70 H new ATOM 1223 N VAL A 78 -12.480 5.627 2.241 1.00 0.71 N ATOM 1224 CA VAL A 78 -13.493 5.578 3.284 1.00 0.75 C ATOM 1225 C VAL A 78 -12.990 4.729 4.447 1.00 0.71 C ATOM 1226 O VAL A 78 -13.151 5.088 5.615 1.00 0.75 O ATOM 1227 CB VAL A 78 -14.822 4.984 2.760 1.00 0.78 C ATOM 1228 CG1 VAL A 78 -15.869 4.951 3.861 1.00 0.83 C ATOM 1229 CG2 VAL A 78 -15.334 5.768 1.564 1.00 0.84 C ATOM 0 H VAL A 78 -12.748 5.167 1.371 1.00 0.71 H new ATOM 0 HA VAL A 78 -13.681 6.600 3.614 1.00 0.75 H new ATOM 0 HB VAL A 78 -14.627 3.961 2.439 1.00 0.78 H new ATOM 0 HG11 VAL A 78 -16.795 4.530 3.470 1.00 0.83 H new ATOM 0 HG12 VAL A 78 -15.510 4.335 4.686 1.00 0.83 H new ATOM 0 HG13 VAL A 78 -16.054 5.964 4.218 1.00 0.83 H new ATOM 0 HG21 VAL A 78 -16.269 5.330 1.215 1.00 0.84 H new ATOM 0 HG22 VAL A 78 -15.505 6.805 1.855 1.00 0.84 H new ATOM 0 HG23 VAL A 78 -14.596 5.733 0.763 1.00 0.84 H new ATOM 1239 N ALA A 79 -12.350 3.616 4.107 1.00 0.66 N ATOM 1240 CA ALA A 79 -11.804 2.700 5.100 1.00 0.63 C ATOM 1241 C ALA A 79 -10.732 3.382 5.945 1.00 0.63 C ATOM 1242 O ALA A 79 -10.625 3.134 7.144 1.00 0.66 O ATOM 1243 CB ALA A 79 -11.233 1.465 4.417 1.00 0.59 C ATOM 0 H ALA A 79 -12.196 3.325 3.142 1.00 0.66 H new ATOM 0 HA ALA A 79 -12.613 2.396 5.764 1.00 0.63 H new ATOM 0 HB1 ALA A 79 -10.828 0.788 5.169 1.00 0.59 H new ATOM 0 HB2 ALA A 79 -12.022 0.959 3.861 1.00 0.59 H new ATOM 0 HB3 ALA A 79 -10.439 1.762 3.732 1.00 0.59 H new ATOM 1249 N MET A 80 -9.950 4.249 5.306 1.00 0.63 N ATOM 1250 CA MET A 80 -8.885 4.980 5.991 1.00 0.66 C ATOM 1251 C MET A 80 -9.460 5.990 6.979 1.00 0.73 C ATOM 1252 O MET A 80 -8.932 6.166 8.077 1.00 0.79 O ATOM 1253 CB MET A 80 -7.991 5.708 4.979 1.00 0.65 C ATOM 1254 CG MET A 80 -6.777 4.907 4.541 1.00 1.08 C ATOM 1255 SD MET A 80 -5.655 5.863 3.499 1.00 1.04 S ATOM 1256 CE MET A 80 -6.658 6.083 2.034 1.00 1.02 C ATOM 0 H MET A 80 -10.034 4.463 4.312 1.00 0.63 H new ATOM 0 HA MET A 80 -8.288 4.252 6.540 1.00 0.66 H new ATOM 0 HB2 MET A 80 -8.584 5.959 4.100 1.00 0.65 H new ATOM 0 HB3 MET A 80 -7.655 6.648 5.416 1.00 0.65 H new ATOM 0 HG2 MET A 80 -6.239 4.557 5.422 1.00 1.08 H new ATOM 0 HG3 MET A 80 -7.107 4.022 3.997 1.00 1.08 H new ATOM 0 HE1 MET A 80 -6.013 6.151 1.158 1.00 1.02 H new ATOM 0 HE2 MET A 80 -7.332 5.233 1.923 1.00 1.02 H new ATOM 0 HE3 MET A 80 -7.241 6.999 2.127 1.00 1.02 H new ATOM 1266 N ALA A 81 -10.552 6.634 6.589 1.00 0.76 N ATOM 1267 CA ALA A 81 -11.201 7.638 7.425 1.00 0.84 C ATOM 1268 C ALA A 81 -11.847 7.017 8.663 1.00 0.87 C ATOM 1269 O ALA A 81 -11.926 7.647 9.718 1.00 0.99 O ATOM 1270 CB ALA A 81 -12.240 8.401 6.614 1.00 0.89 C ATOM 0 H ALA A 81 -11.011 6.478 5.692 1.00 0.76 H new ATOM 0 HA ALA A 81 -10.432 8.330 7.769 1.00 0.84 H new ATOM 0 HB1 ALA A 81 -12.719 9.148 7.247 1.00 0.89 H new ATOM 0 HB2 ALA A 81 -11.754 8.896 5.773 1.00 0.89 H new ATOM 0 HB3 ALA A 81 -12.992 7.706 6.241 1.00 0.89 H new ATOM 1276 N LEU A 82 -12.310 5.783 8.533 1.00 0.80 N ATOM 1277 CA LEU A 82 -12.954 5.092 9.645 1.00 0.82 C ATOM 1278 C LEU A 82 -11.955 4.259 10.440 1.00 0.81 C ATOM 1279 O LEU A 82 -12.249 3.820 11.554 1.00 0.88 O ATOM 1280 CB LEU A 82 -14.085 4.201 9.128 1.00 0.82 C ATOM 1281 CG LEU A 82 -15.226 4.936 8.420 1.00 0.87 C ATOM 1282 CD1 LEU A 82 -16.268 3.948 7.927 1.00 0.90 C ATOM 1283 CD2 LEU A 82 -15.868 5.953 9.349 1.00 0.97 C ATOM 0 H LEU A 82 -12.253 5.239 7.672 1.00 0.80 H new ATOM 0 HA LEU A 82 -13.367 5.848 10.313 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -13.663 3.470 8.439 1.00 0.82 H new ATOM 0 HB3 LEU A 82 -14.500 3.644 9.968 1.00 0.82 H new ATOM 0 HG LEU A 82 -14.810 5.465 7.562 1.00 0.87 H new ATOM 0 HD11 LEU A 82 -17.072 4.487 7.426 1.00 0.90 H new ATOM 0 HD12 LEU A 82 -15.807 3.252 7.227 1.00 0.90 H new ATOM 0 HD13 LEU A 82 -16.674 3.395 8.774 1.00 0.90 H new ATOM 0 HD21 LEU A 82 -16.676 6.464 8.826 1.00 0.97 H new ATOM 0 HD22 LEU A 82 -16.268 5.443 10.226 1.00 0.97 H new ATOM 0 HD23 LEU A 82 -15.121 6.682 9.663 1.00 0.97 H new ATOM 1295 N GLY A 83 -10.777 4.056 9.873 1.00 0.75 N ATOM 1296 CA GLY A 83 -9.765 3.268 10.544 1.00 0.74 C ATOM 1297 C GLY A 83 -10.097 1.792 10.523 1.00 0.72 C ATOM 1298 O GLY A 83 -9.900 1.084 11.511 1.00 0.78 O ATOM 0 H GLY A 83 -10.503 4.422 8.961 1.00 0.75 H new ATOM 0 HA2 GLY A 83 -8.800 3.430 10.064 1.00 0.74 H new ATOM 0 HA3 GLY A 83 -9.668 3.604 11.576 1.00 0.74 H new ATOM 1302 N VAL A 84 -10.618 1.338 9.391 1.00 0.67 N ATOM 1303 CA VAL A 84 -10.988 -0.059 9.217 1.00 0.65 C ATOM 1304 C VAL A 84 -10.272 -0.641 8.004 1.00 0.59 C ATOM 1305 O VAL A 84 -10.707 -1.645 7.435 1.00 0.60 O ATOM 1306 CB VAL A 84 -12.515 -0.228 9.030 1.00 0.71 C ATOM 1307 CG1 VAL A 84 -13.269 0.171 10.290 1.00 0.81 C ATOM 1308 CG2 VAL A 84 -13.007 0.582 7.840 1.00 0.73 C ATOM 0 H VAL A 84 -10.795 1.923 8.574 1.00 0.67 H new ATOM 0 HA VAL A 84 -10.690 -0.590 10.121 1.00 0.65 H new ATOM 0 HB VAL A 84 -12.711 -1.283 8.836 1.00 0.71 H new ATOM 0 HG11 VAL A 84 -14.339 0.042 10.130 1.00 0.81 H new ATOM 0 HG12 VAL A 84 -12.948 -0.458 11.121 1.00 0.81 H new ATOM 0 HG13 VAL A 84 -13.060 1.215 10.524 1.00 0.81 H new ATOM 0 HG21 VAL A 84 -14.083 0.448 7.728 1.00 0.73 H new ATOM 0 HG22 VAL A 84 -12.788 1.637 8.003 1.00 0.73 H new ATOM 0 HG23 VAL A 84 -12.503 0.242 6.935 1.00 0.73 H new ATOM 1318 N GLU A 85 -9.161 -0.011 7.634 1.00 0.58 N ATOM 1319 CA GLU A 85 -8.377 -0.425 6.471 1.00 0.55 C ATOM 1320 C GLU A 85 -7.955 -1.886 6.576 1.00 0.53 C ATOM 1321 O GLU A 85 -8.324 -2.708 5.741 1.00 0.56 O ATOM 1322 CB GLU A 85 -7.124 0.449 6.312 1.00 0.63 C ATOM 1323 CG GLU A 85 -7.284 1.874 6.813 1.00 0.81 C ATOM 1324 CD GLU A 85 -6.584 2.098 8.134 1.00 1.11 C ATOM 1325 OE1 GLU A 85 -7.197 1.835 9.186 1.00 1.67 O1- ATOM 1326 OE2 GLU A 85 -5.407 2.523 8.129 1.00 1.71 O ATOM 0 H GLU A 85 -8.779 0.796 8.127 1.00 0.58 H new ATOM 0 HA GLU A 85 -9.017 -0.303 5.597 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -6.298 -0.020 6.847 1.00 0.63 H new ATOM 0 HB3 GLU A 85 -6.847 0.476 5.258 1.00 0.63 H new ATOM 0 HG2 GLU A 85 -6.885 2.565 6.071 1.00 0.81 H new ATOM 0 HG3 GLU A 85 -8.344 2.102 6.923 1.00 0.81 H new ATOM 1333 N ASP A 86 -7.207 -2.202 7.625 1.00 0.57 N ATOM 1334 CA ASP A 86 -6.699 -3.558 7.850 1.00 0.62 C ATOM 1335 C ASP A 86 -7.836 -4.553 8.066 1.00 0.64 C ATOM 1336 O ASP A 86 -7.653 -5.760 7.909 1.00 0.87 O ATOM 1337 CB ASP A 86 -5.749 -3.572 9.052 1.00 0.74 C ATOM 1338 CG ASP A 86 -4.614 -2.572 8.914 1.00 1.12 C ATOM 1339 OD1 ASP A 86 -4.882 -1.347 8.973 1.00 1.91 O ATOM 1340 OD2 ASP A 86 -3.447 -2.996 8.764 1.00 1.75 O1- ATOM 0 H ASP A 86 -6.934 -1.532 8.344 1.00 0.57 H new ATOM 0 HA ASP A 86 -6.154 -3.864 6.957 1.00 0.62 H new ATOM 0 HB2 ASP A 86 -6.313 -3.352 9.958 1.00 0.74 H new ATOM 0 HB3 ASP A 86 -5.334 -4.573 9.170 1.00 0.74 H new ATOM 1345 N LYS A 87 -9.009 -4.040 8.410 1.00 0.59 N ATOM 1346 CA LYS A 87 -10.180 -4.878 8.651 1.00 0.63 C ATOM 1347 C LYS A 87 -10.818 -5.337 7.340 1.00 0.60 C ATOM 1348 O LYS A 87 -11.253 -6.481 7.221 1.00 0.67 O ATOM 1349 CB LYS A 87 -11.218 -4.114 9.475 1.00 0.70 C ATOM 1350 CG LYS A 87 -10.852 -3.935 10.936 1.00 0.79 C ATOM 1351 CD LYS A 87 -11.995 -3.289 11.701 1.00 1.48 C ATOM 1352 CE LYS A 87 -11.559 -2.810 13.077 1.00 1.85 C ATOM 1353 NZ LYS A 87 -12.619 -2.004 13.745 1.00 2.28 N1+ ATOM 0 H LYS A 87 -9.177 -3.041 8.530 1.00 0.59 H new ATOM 0 HA LYS A 87 -9.846 -5.757 9.202 1.00 0.63 H new ATOM 0 HB2 LYS A 87 -11.367 -3.131 9.028 1.00 0.70 H new ATOM 0 HB3 LYS A 87 -12.171 -4.640 9.414 1.00 0.70 H new ATOM 0 HG2 LYS A 87 -10.613 -4.903 11.377 1.00 0.79 H new ATOM 0 HG3 LYS A 87 -9.958 -3.318 11.019 1.00 0.79 H new ATOM 0 HD2 LYS A 87 -12.383 -2.446 11.130 1.00 1.48 H new ATOM 0 HD3 LYS A 87 -12.810 -4.004 11.807 1.00 1.48 H new ATOM 0 HE2 LYS A 87 -11.310 -3.670 13.699 1.00 1.85 H new ATOM 0 HE3 LYS A 87 -10.653 -2.212 12.983 1.00 1.85 H new ATOM 0 HZ1 LYS A 87 -12.284 -1.696 14.680 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -12.839 -1.170 13.164 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -13.476 -2.583 13.858 1.00 2.28 H new ATOM 1367 N VAL A 88 -10.870 -4.441 6.363 1.00 0.56 N ATOM 1368 CA VAL A 88 -11.483 -4.759 5.077 1.00 0.55 C ATOM 1369 C VAL A 88 -10.459 -5.231 4.045 1.00 0.50 C ATOM 1370 O VAL A 88 -10.834 -5.726 2.985 1.00 0.50 O ATOM 1371 CB VAL A 88 -12.265 -3.562 4.505 1.00 0.58 C ATOM 1372 CG1 VAL A 88 -13.420 -3.198 5.422 1.00 0.65 C ATOM 1373 CG2 VAL A 88 -11.350 -2.366 4.292 1.00 0.56 C ATOM 0 H VAL A 88 -10.498 -3.494 6.434 1.00 0.56 H new ATOM 0 HA VAL A 88 -12.176 -5.577 5.274 1.00 0.55 H new ATOM 0 HB VAL A 88 -12.670 -3.851 3.535 1.00 0.58 H new ATOM 0 HG11 VAL A 88 -13.963 -2.350 5.004 1.00 0.65 H new ATOM 0 HG12 VAL A 88 -14.093 -4.050 5.515 1.00 0.65 H new ATOM 0 HG13 VAL A 88 -13.034 -2.932 6.406 1.00 0.65 H new ATOM 0 HG21 VAL A 88 -11.927 -1.534 3.887 1.00 0.56 H new ATOM 0 HG22 VAL A 88 -10.908 -2.072 5.244 1.00 0.56 H new ATOM 0 HG23 VAL A 88 -10.559 -2.633 3.592 1.00 0.56 H new ATOM 1383 N THR A 89 -9.173 -5.089 4.360 1.00 0.48 N ATOM 1384 CA THR A 89 -8.113 -5.505 3.444 1.00 0.44 C ATOM 1385 C THR A 89 -8.207 -7.001 3.115 1.00 0.43 C ATOM 1386 O THR A 89 -8.205 -7.390 1.946 1.00 0.44 O ATOM 1387 CB THR A 89 -6.713 -5.191 4.025 1.00 0.45 C ATOM 1388 OG1 THR A 89 -6.527 -3.771 4.129 1.00 0.98 O ATOM 1389 CG2 THR A 89 -5.612 -5.792 3.157 1.00 0.79 C ATOM 0 H THR A 89 -8.841 -4.691 5.238 1.00 0.48 H new ATOM 0 HA THR A 89 -8.251 -4.936 2.524 1.00 0.44 H new ATOM 0 HB THR A 89 -6.653 -5.637 5.018 1.00 0.45 H new ATOM 0 HG1 THR A 89 -7.141 -3.409 4.802 1.00 0.98 H new ATOM 0 HG21 THR A 89 -4.639 -5.556 3.588 1.00 0.79 H new ATOM 0 HG22 THR A 89 -5.735 -6.874 3.110 1.00 0.79 H new ATOM 0 HG23 THR A 89 -5.674 -5.376 2.151 1.00 0.79 H new ATOM 1397 N VAL A 90 -8.332 -7.829 4.150 1.00 0.46 N ATOM 1398 CA VAL A 90 -8.406 -9.277 3.970 1.00 0.49 C ATOM 1399 C VAL A 90 -9.640 -9.696 3.156 1.00 0.50 C ATOM 1400 O VAL A 90 -9.490 -10.309 2.099 1.00 0.52 O ATOM 1401 CB VAL A 90 -8.388 -10.024 5.324 1.00 0.54 C ATOM 1402 CG1 VAL A 90 -8.387 -11.533 5.118 1.00 0.62 C ATOM 1403 CG2 VAL A 90 -7.182 -9.594 6.151 1.00 0.57 C ATOM 0 H VAL A 90 -8.384 -7.522 5.121 1.00 0.46 H new ATOM 0 HA VAL A 90 -7.517 -9.560 3.407 1.00 0.49 H new ATOM 0 HB VAL A 90 -9.295 -9.762 5.868 1.00 0.54 H new ATOM 0 HG11 VAL A 90 -8.374 -12.032 6.087 1.00 0.62 H new ATOM 0 HG12 VAL A 90 -9.283 -11.826 4.570 1.00 0.62 H new ATOM 0 HG13 VAL A 90 -7.503 -11.822 4.549 1.00 0.62 H new ATOM 0 HG21 VAL A 90 -7.183 -10.128 7.101 1.00 0.57 H new ATOM 0 HG22 VAL A 90 -6.266 -9.824 5.606 1.00 0.57 H new ATOM 0 HG23 VAL A 90 -7.233 -8.521 6.338 1.00 0.57 H new ATOM 1413 N PRO A 91 -10.876 -9.367 3.610 1.00 0.53 N ATOM 1414 CA PRO A 91 -12.099 -9.748 2.889 1.00 0.57 C ATOM 1415 C PRO A 91 -12.130 -9.233 1.453 1.00 0.57 C ATOM 1416 O PRO A 91 -12.674 -9.891 0.565 1.00 0.61 O ATOM 1417 CB PRO A 91 -13.228 -9.116 3.709 1.00 0.60 C ATOM 1418 CG PRO A 91 -12.572 -8.101 4.576 1.00 0.58 C ATOM 1419 CD PRO A 91 -11.190 -8.613 4.839 1.00 0.54 C ATOM 0 HA PRO A 91 -12.179 -10.831 2.798 1.00 0.57 H new ATOM 0 HB2 PRO A 91 -13.973 -8.655 3.060 1.00 0.60 H new ATOM 0 HB3 PRO A 91 -13.746 -9.866 4.307 1.00 0.60 H new ATOM 0 HG2 PRO A 91 -12.541 -7.129 4.084 1.00 0.58 H new ATOM 0 HG3 PRO A 91 -13.123 -7.969 5.507 1.00 0.58 H new ATOM 0 HD2 PRO A 91 -10.483 -7.800 5.005 1.00 0.54 H new ATOM 0 HD3 PRO A 91 -11.157 -9.250 5.723 1.00 0.54 H new ATOM 1427 N LEU A 92 -11.547 -8.062 1.220 1.00 0.54 N ATOM 1428 CA LEU A 92 -11.520 -7.491 -0.121 1.00 0.55 C ATOM 1429 C LEU A 92 -10.538 -8.247 -1.009 1.00 0.54 C ATOM 1430 O LEU A 92 -10.871 -8.603 -2.133 1.00 0.59 O ATOM 1431 CB LEU A 92 -11.160 -6.002 -0.083 1.00 0.54 C ATOM 1432 CG LEU A 92 -12.335 -5.050 0.153 1.00 0.61 C ATOM 1433 CD1 LEU A 92 -11.833 -3.629 0.351 1.00 0.60 C ATOM 1434 CD2 LEU A 92 -13.306 -5.099 -1.012 1.00 0.79 C ATOM 0 H LEU A 92 -11.091 -7.495 1.935 1.00 0.54 H new ATOM 0 HA LEU A 92 -12.521 -7.589 -0.542 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -10.422 -5.844 0.703 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -10.683 -5.736 -1.026 1.00 0.54 H new ATOM 0 HG LEU A 92 -12.857 -5.370 1.055 1.00 0.61 H new ATOM 0 HD11 LEU A 92 -12.680 -2.964 0.518 1.00 0.60 H new ATOM 0 HD12 LEU A 92 -11.169 -3.595 1.215 1.00 0.60 H new ATOM 0 HD13 LEU A 92 -11.289 -3.308 -0.537 1.00 0.60 H new ATOM 0 HD21 LEU A 92 -14.134 -4.415 -0.825 1.00 0.79 H new ATOM 0 HD22 LEU A 92 -12.792 -4.804 -1.927 1.00 0.79 H new ATOM 0 HD23 LEU A 92 -13.691 -6.113 -1.123 1.00 0.79 H new ATOM 1446 N PHE A 93 -9.334 -8.498 -0.501 1.00 0.48 N ATOM 1447 CA PHE A 93 -8.318 -9.220 -1.265 1.00 0.48 C ATOM 1448 C PHE A 93 -8.823 -10.599 -1.667 1.00 0.54 C ATOM 1449 O PHE A 93 -8.805 -10.967 -2.844 1.00 0.58 O ATOM 1450 CB PHE A 93 -7.032 -9.361 -0.446 1.00 0.44 C ATOM 1451 CG PHE A 93 -5.902 -8.492 -0.922 1.00 0.41 C ATOM 1452 CD1 PHE A 93 -5.529 -8.488 -2.255 1.00 0.44 C ATOM 1453 CD2 PHE A 93 -5.208 -7.690 -0.030 1.00 0.42 C ATOM 1454 CE1 PHE A 93 -4.484 -7.699 -2.692 1.00 0.44 C ATOM 1455 CE2 PHE A 93 -4.165 -6.898 -0.460 1.00 0.43 C ATOM 1456 CZ PHE A 93 -3.802 -6.901 -1.795 1.00 0.41 C ATOM 0 H PHE A 93 -9.038 -8.214 0.433 1.00 0.48 H new ATOM 0 HA PHE A 93 -8.106 -8.647 -2.167 1.00 0.48 H new ATOM 0 HB2 PHE A 93 -7.248 -9.119 0.595 1.00 0.44 H new ATOM 0 HB3 PHE A 93 -6.711 -10.402 -0.471 1.00 0.44 H new ATOM 0 HD1 PHE A 93 -6.061 -9.109 -2.961 1.00 0.44 H new ATOM 0 HD2 PHE A 93 -5.487 -7.685 1.013 1.00 0.42 H new ATOM 0 HE1 PHE A 93 -4.200 -7.706 -3.734 1.00 0.44 H new ATOM 0 HE2 PHE A 93 -3.632 -6.276 0.244 1.00 0.43 H new ATOM 0 HZ PHE A 93 -2.986 -6.280 -2.135 1.00 0.41 H new ATOM 1466 N GLU A 94 -9.300 -11.345 -0.681 1.00 0.55 N ATOM 1467 CA GLU A 94 -9.810 -12.688 -0.911 1.00 0.62 C ATOM 1468 C GLU A 94 -11.054 -12.662 -1.801 1.00 0.66 C ATOM 1469 O GLU A 94 -11.184 -13.462 -2.722 1.00 0.72 O ATOM 1470 CB GLU A 94 -10.149 -13.358 0.423 1.00 0.66 C ATOM 1471 CG GLU A 94 -9.028 -13.302 1.451 1.00 0.66 C ATOM 1472 CD GLU A 94 -8.292 -14.614 1.593 1.00 0.93 C ATOM 1473 OE1 GLU A 94 -8.874 -15.566 2.159 1.00 1.70 O ATOM 1474 OE2 GLU A 94 -7.132 -14.708 1.143 1.00 1.46 O1- ATOM 0 H GLU A 94 -9.344 -11.040 0.291 1.00 0.55 H new ATOM 0 HA GLU A 94 -9.033 -13.259 -1.420 1.00 0.62 H new ATOM 0 HB2 GLU A 94 -11.035 -12.881 0.842 1.00 0.66 H new ATOM 0 HB3 GLU A 94 -10.406 -14.401 0.238 1.00 0.66 H new ATOM 0 HG2 GLU A 94 -8.320 -12.523 1.167 1.00 0.66 H new ATOM 0 HG3 GLU A 94 -9.443 -13.018 2.418 1.00 0.66 H new ATOM 1481 N GLY A 95 -11.942 -11.713 -1.541 1.00 0.66 N ATOM 1482 CA GLY A 95 -13.176 -11.609 -2.299 1.00 0.71 C ATOM 1483 C GLY A 95 -12.989 -11.145 -3.736 1.00 0.73 C ATOM 1484 O GLY A 95 -13.909 -11.263 -4.545 1.00 0.82 O ATOM 0 H GLY A 95 -11.830 -11.007 -0.813 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -13.669 -12.581 -2.304 1.00 0.71 H new ATOM 0 HA3 GLY A 95 -13.845 -10.915 -1.789 1.00 0.71 H new ATOM 1488 N VAL A 96 -11.814 -10.615 -4.063 1.00 0.66 N ATOM 1489 CA VAL A 96 -11.557 -10.130 -5.416 1.00 0.67 C ATOM 1490 C VAL A 96 -10.693 -11.099 -6.225 1.00 0.69 C ATOM 1491 O VAL A 96 -10.973 -11.353 -7.395 1.00 0.75 O ATOM 1492 CB VAL A 96 -10.887 -8.733 -5.400 1.00 0.63 C ATOM 1493 CG1 VAL A 96 -10.407 -8.336 -6.787 1.00 0.67 C ATOM 1494 CG2 VAL A 96 -11.848 -7.682 -4.859 1.00 0.65 C ATOM 0 H VAL A 96 -11.031 -10.511 -3.417 1.00 0.66 H new ATOM 0 HA VAL A 96 -12.531 -10.054 -5.900 1.00 0.67 H new ATOM 0 HB VAL A 96 -10.020 -8.790 -4.742 1.00 0.63 H new ATOM 0 HG11 VAL A 96 -9.942 -7.351 -6.743 1.00 0.67 H new ATOM 0 HG12 VAL A 96 -9.680 -9.066 -7.143 1.00 0.67 H new ATOM 0 HG13 VAL A 96 -11.255 -8.306 -7.471 1.00 0.67 H new ATOM 0 HG21 VAL A 96 -11.358 -6.708 -4.856 1.00 0.65 H new ATOM 0 HG22 VAL A 96 -12.735 -7.640 -5.491 1.00 0.65 H new ATOM 0 HG23 VAL A 96 -12.139 -7.945 -3.842 1.00 0.65 H new ATOM 1504 N GLN A 97 -9.657 -11.652 -5.609 1.00 0.66 N ATOM 1505 CA GLN A 97 -8.767 -12.561 -6.329 1.00 0.68 C ATOM 1506 C GLN A 97 -9.072 -14.031 -6.054 1.00 0.75 C ATOM 1507 O GLN A 97 -8.987 -14.860 -6.959 1.00 0.84 O ATOM 1508 CB GLN A 97 -7.307 -12.265 -6.000 1.00 0.63 C ATOM 1509 CG GLN A 97 -6.873 -10.875 -6.424 1.00 0.62 C ATOM 1510 CD GLN A 97 -5.399 -10.622 -6.193 1.00 0.59 C ATOM 1511 OE1 GLN A 97 -4.565 -11.503 -6.385 1.00 0.66 O ATOM 1512 NE2 GLN A 97 -5.073 -9.416 -5.764 1.00 0.55 N ATOM 0 H GLN A 97 -9.412 -11.494 -4.632 1.00 0.66 H new ATOM 0 HA GLN A 97 -8.944 -12.385 -7.390 1.00 0.68 H new ATOM 0 HB2 GLN A 97 -7.153 -12.376 -4.927 1.00 0.63 H new ATOM 0 HB3 GLN A 97 -6.673 -13.003 -6.491 1.00 0.63 H new ATOM 0 HG2 GLN A 97 -7.099 -10.736 -7.481 1.00 0.62 H new ATOM 0 HG3 GLN A 97 -7.454 -10.135 -5.874 1.00 0.62 H new ATOM 0 HE21 GLN A 97 -5.798 -8.714 -5.618 1.00 0.55 H new ATOM 0 HE22 GLN A 97 -4.096 -9.187 -5.579 1.00 0.55 H new ATOM 1521 N LYS A 98 -9.414 -14.362 -4.821 1.00 0.74 N ATOM 1522 CA LYS A 98 -9.710 -15.745 -4.483 1.00 0.81 C ATOM 1523 C LYS A 98 -11.118 -16.119 -4.941 1.00 0.88 C ATOM 1524 O LYS A 98 -11.292 -16.960 -5.824 1.00 1.03 O ATOM 1525 CB LYS A 98 -9.555 -15.982 -2.975 1.00 0.76 C ATOM 1526 CG LYS A 98 -9.571 -17.453 -2.595 1.00 0.88 C ATOM 1527 CD LYS A 98 -9.432 -17.658 -1.093 1.00 1.03 C ATOM 1528 CE LYS A 98 -8.007 -17.414 -0.620 1.00 1.34 C ATOM 1529 NZ LYS A 98 -7.846 -17.678 0.838 1.00 1.41 N1+ ATOM 0 H LYS A 98 -9.493 -13.703 -4.046 1.00 0.74 H new ATOM 0 HA LYS A 98 -8.996 -16.383 -5.004 1.00 0.81 H new ATOM 0 HB2 LYS A 98 -8.619 -15.537 -2.638 1.00 0.76 H new ATOM 0 HB3 LYS A 98 -10.360 -15.469 -2.449 1.00 0.76 H new ATOM 0 HG2 LYS A 98 -10.502 -17.905 -2.938 1.00 0.88 H new ATOM 0 HG3 LYS A 98 -8.759 -17.968 -3.107 1.00 0.88 H new ATOM 0 HD2 LYS A 98 -10.109 -16.983 -0.570 1.00 1.03 H new ATOM 0 HD3 LYS A 98 -9.732 -18.674 -0.835 1.00 1.03 H new ATOM 0 HE2 LYS A 98 -7.325 -18.053 -1.181 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -7.726 -16.383 -0.834 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -6.860 -17.499 1.116 1.00 1.41 H new ATOM 0 HZ2 LYS A 98 -8.477 -17.051 1.376 1.00 1.41 H new ATOM 0 HZ3 LYS A 98 -8.088 -18.669 1.040 1.00 1.41 H new ATOM 1543 N THR A 99 -12.111 -15.477 -4.352 1.00 0.82 N ATOM 1544 CA THR A 99 -13.501 -15.744 -4.685 1.00 0.94 C ATOM 1545 C THR A 99 -13.916 -15.039 -5.975 1.00 0.98 C ATOM 1546 O THR A 99 -14.721 -15.566 -6.746 1.00 1.08 O ATOM 1547 CB THR A 99 -14.411 -15.289 -3.534 1.00 0.96 C ATOM 1548 OG1 THR A 99 -13.632 -15.166 -2.337 1.00 0.95 O ATOM 1549 CG2 THR A 99 -15.542 -16.280 -3.304 1.00 1.31 C ATOM 0 H THR A 99 -11.980 -14.762 -3.636 1.00 0.82 H new ATOM 0 HA THR A 99 -13.606 -16.818 -4.838 1.00 0.94 H new ATOM 0 HB THR A 99 -14.849 -14.327 -3.799 1.00 0.96 H new ATOM 0 HG1 THR A 99 -14.208 -14.874 -1.600 1.00 0.95 H new ATOM 0 HG21 THR A 99 -16.170 -15.932 -2.484 1.00 1.31 H new ATOM 0 HG22 THR A 99 -16.142 -16.364 -4.210 1.00 1.31 H new ATOM 0 HG23 THR A 99 -15.126 -17.256 -3.053 1.00 1.31 H new ATOM 1557 N GLN A 100 -13.352 -13.850 -6.203 1.00 0.90 N ATOM 1558 CA GLN A 100 -13.650 -13.048 -7.393 1.00 0.94 C ATOM 1559 C GLN A 100 -15.134 -12.680 -7.443 1.00 1.01 C ATOM 1560 O GLN A 100 -15.720 -12.542 -8.517 1.00 1.10 O ATOM 1561 CB GLN A 100 -13.241 -13.788 -8.673 1.00 1.01 C ATOM 1562 CG GLN A 100 -11.752 -14.094 -8.759 1.00 0.99 C ATOM 1563 CD GLN A 100 -11.352 -14.728 -10.077 1.00 1.15 C ATOM 1564 OE1 GLN A 100 -12.148 -15.408 -10.727 1.00 1.41 O ATOM 1565 NE2 GLN A 100 -10.110 -14.511 -10.483 1.00 1.44 N ATOM 0 H GLN A 100 -12.679 -13.417 -5.571 1.00 0.90 H new ATOM 0 HA GLN A 100 -13.067 -12.129 -7.329 1.00 0.94 H new ATOM 0 HB2 GLN A 100 -13.798 -14.723 -8.735 1.00 1.01 H new ATOM 0 HB3 GLN A 100 -13.529 -13.188 -9.536 1.00 1.01 H new ATOM 0 HG2 GLN A 100 -11.189 -13.171 -8.620 1.00 0.99 H new ATOM 0 HG3 GLN A 100 -11.476 -14.762 -7.943 1.00 0.99 H new ATOM 0 HE21 GLN A 100 -9.480 -13.942 -9.917 1.00 1.44 H new ATOM 0 HE22 GLN A 100 -9.783 -14.913 -11.362 1.00 1.44 H new ATOM 1574 N THR A 101 -15.727 -12.516 -6.270 1.00 1.00 N ATOM 1575 CA THR A 101 -17.130 -12.172 -6.160 1.00 1.08 C ATOM 1576 C THR A 101 -17.335 -10.664 -6.231 1.00 1.03 C ATOM 1577 O THR A 101 -18.318 -10.185 -6.793 1.00 1.12 O ATOM 1578 CB THR A 101 -17.703 -12.695 -4.832 1.00 1.14 C ATOM 1579 OG1 THR A 101 -16.632 -13.046 -3.946 1.00 1.20 O ATOM 1580 CG2 THR A 101 -18.593 -13.903 -5.061 1.00 1.57 C ATOM 0 H THR A 101 -15.249 -12.618 -5.374 1.00 1.00 H new ATOM 0 HA THR A 101 -17.651 -12.638 -6.997 1.00 1.08 H new ATOM 0 HB THR A 101 -18.305 -11.904 -4.385 1.00 1.14 H new ATOM 0 HG1 THR A 101 -17.002 -13.377 -3.101 1.00 1.20 H new ATOM 0 HG21 THR A 101 -18.985 -14.253 -4.106 1.00 1.57 H new ATOM 0 HG22 THR A 101 -19.421 -13.626 -5.714 1.00 1.57 H new ATOM 0 HG23 THR A 101 -18.013 -14.699 -5.528 1.00 1.57 H new ATOM 1588 N ILE A 102 -16.390 -9.926 -5.669 1.00 0.91 N ATOM 1589 CA ILE A 102 -16.460 -8.474 -5.643 1.00 0.88 C ATOM 1590 C ILE A 102 -16.034 -7.884 -6.980 1.00 0.87 C ATOM 1591 O ILE A 102 -14.844 -7.736 -7.253 1.00 0.83 O ATOM 1592 CB ILE A 102 -15.572 -7.896 -4.524 1.00 0.83 C ATOM 1593 CG1 ILE A 102 -15.839 -8.635 -3.213 1.00 0.86 C ATOM 1594 CG2 ILE A 102 -15.814 -6.399 -4.364 1.00 0.84 C ATOM 1595 CD1 ILE A 102 -14.902 -8.237 -2.101 1.00 0.79 C ATOM 0 H ILE A 102 -15.559 -10.313 -5.221 1.00 0.91 H new ATOM 0 HA ILE A 102 -17.498 -8.203 -5.448 1.00 0.88 H new ATOM 0 HB ILE A 102 -14.526 -8.038 -4.796 1.00 0.83 H new ATOM 0 HG12 ILE A 102 -16.865 -8.444 -2.899 1.00 0.86 H new ATOM 0 HG13 ILE A 102 -15.752 -9.708 -3.385 1.00 0.86 H new ATOM 0 HG21 ILE A 102 -15.177 -6.010 -3.569 1.00 0.84 H new ATOM 0 HG22 ILE A 102 -15.578 -5.890 -5.299 1.00 0.84 H new ATOM 0 HG23 ILE A 102 -16.859 -6.225 -4.110 1.00 0.84 H new ATOM 0 HD11 ILE A 102 -15.147 -8.799 -1.200 1.00 0.79 H new ATOM 0 HD12 ILE A 102 -13.875 -8.453 -2.396 1.00 0.79 H new ATOM 0 HD13 ILE A 102 -15.005 -7.170 -1.902 1.00 0.79 H new ATOM 1607 N ARG A 103 -17.012 -7.570 -7.823 1.00 0.93 N ATOM 1608 CA ARG A 103 -16.739 -6.991 -9.134 1.00 0.95 C ATOM 1609 C ARG A 103 -17.675 -5.821 -9.423 1.00 0.96 C ATOM 1610 O ARG A 103 -17.907 -5.464 -10.579 1.00 0.99 O ATOM 1611 CB ARG A 103 -16.876 -8.055 -10.228 1.00 1.07 C ATOM 1612 CG ARG A 103 -15.712 -9.034 -10.292 1.00 1.12 C ATOM 1613 CD ARG A 103 -15.868 -9.996 -11.457 1.00 1.44 C ATOM 1614 NE ARG A 103 -17.157 -10.682 -11.423 1.00 1.88 N ATOM 1615 CZ ARG A 103 -17.991 -10.766 -12.457 1.00 2.52 C ATOM 1616 NH1 ARG A 103 -17.672 -10.219 -13.623 1.00 2.97 N1+ ATOM 1617 NH2 ARG A 103 -19.152 -11.388 -12.320 1.00 3.22 N ATOM 0 H ARG A 103 -18.002 -7.707 -7.622 1.00 0.93 H new ATOM 0 HA ARG A 103 -15.715 -6.618 -9.128 1.00 0.95 H new ATOM 0 HB2 ARG A 103 -17.798 -8.613 -10.064 1.00 1.07 H new ATOM 0 HB3 ARG A 103 -16.972 -7.558 -11.193 1.00 1.07 H new ATOM 0 HG2 ARG A 103 -14.776 -8.484 -10.393 1.00 1.12 H new ATOM 0 HG3 ARG A 103 -15.653 -9.595 -9.359 1.00 1.12 H new ATOM 0 HD2 ARG A 103 -15.771 -9.450 -12.395 1.00 1.44 H new ATOM 0 HD3 ARG A 103 -15.064 -10.731 -11.432 1.00 1.44 H new ATOM 0 HE ARG A 103 -17.437 -11.126 -10.549 1.00 1.88 H new ATOM 0 HH11 ARG A 103 -16.783 -9.731 -13.731 1.00 2.97 H new ATOM 0 HH12 ARG A 103 -18.316 -10.287 -14.411 1.00 2.97 H new ATOM 0 HH21 ARG A 103 -19.406 -11.802 -11.423 1.00 3.22 H new ATOM 0 HH22 ARG A 103 -19.792 -11.453 -13.111 1.00 3.22 H new ATOM 1631 N SER A 104 -18.219 -5.235 -8.364 1.00 0.97 N ATOM 1632 CA SER A 104 -19.112 -4.093 -8.492 1.00 1.01 C ATOM 1633 C SER A 104 -19.170 -3.335 -7.171 1.00 0.98 C ATOM 1634 O SER A 104 -18.829 -3.887 -6.122 1.00 0.94 O ATOM 1635 CB SER A 104 -20.518 -4.549 -8.903 1.00 1.13 C ATOM 1636 OG SER A 104 -21.165 -5.269 -7.860 1.00 1.51 O ATOM 0 H SER A 104 -18.056 -5.534 -7.403 1.00 0.97 H new ATOM 0 HA SER A 104 -18.727 -3.432 -9.268 1.00 1.01 H new ATOM 0 HB2 SER A 104 -21.118 -3.680 -9.171 1.00 1.13 H new ATOM 0 HB3 SER A 104 -20.451 -5.177 -9.791 1.00 1.13 H new ATOM 0 HG SER A 104 -20.504 -5.805 -7.374 1.00 1.51 H new ATOM 1642 N ALA A 105 -19.599 -2.079 -7.217 1.00 1.02 N ATOM 1643 CA ALA A 105 -19.712 -1.267 -6.013 1.00 1.02 C ATOM 1644 C ALA A 105 -20.743 -1.867 -5.062 1.00 1.05 C ATOM 1645 O ALA A 105 -20.644 -1.723 -3.841 1.00 1.03 O ATOM 1646 CB ALA A 105 -20.087 0.159 -6.380 1.00 1.08 C ATOM 0 H ALA A 105 -19.874 -1.602 -8.075 1.00 1.02 H new ATOM 0 HA ALA A 105 -18.748 -1.253 -5.505 1.00 1.02 H new ATOM 0 HB1 ALA A 105 -20.169 0.758 -5.473 1.00 1.08 H new ATOM 0 HB2 ALA A 105 -19.318 0.582 -7.027 1.00 1.08 H new ATOM 0 HB3 ALA A 105 -21.043 0.161 -6.904 1.00 1.08 H new ATOM 1652 N SER A 106 -21.722 -2.552 -5.641 1.00 1.12 N ATOM 1653 CA SER A 106 -22.776 -3.201 -4.877 1.00 1.17 C ATOM 1654 C SER A 106 -22.186 -4.257 -3.945 1.00 1.09 C ATOM 1655 O SER A 106 -22.679 -4.469 -2.833 1.00 1.09 O ATOM 1656 CB SER A 106 -23.780 -3.840 -5.835 1.00 1.28 C ATOM 1657 OG SER A 106 -23.994 -3.004 -6.959 1.00 1.43 O ATOM 0 H SER A 106 -21.806 -2.672 -6.650 1.00 1.12 H new ATOM 0 HA SER A 106 -23.286 -2.455 -4.268 1.00 1.17 H new ATOM 0 HB2 SER A 106 -23.411 -4.812 -6.162 1.00 1.28 H new ATOM 0 HB3 SER A 106 -24.724 -4.014 -5.319 1.00 1.28 H new ATOM 0 HG SER A 106 -24.638 -3.428 -7.564 1.00 1.43 H new ATOM 1663 N ASP A 107 -21.118 -4.908 -4.405 1.00 1.05 N ATOM 1664 CA ASP A 107 -20.443 -5.930 -3.611 1.00 0.99 C ATOM 1665 C ASP A 107 -19.601 -5.264 -2.531 1.00 0.91 C ATOM 1666 O ASP A 107 -19.664 -5.642 -1.363 1.00 0.89 O ATOM 1667 CB ASP A 107 -19.542 -6.812 -4.479 1.00 0.97 C ATOM 1668 CG ASP A 107 -20.292 -7.552 -5.565 1.00 1.25 C ATOM 1669 OD1 ASP A 107 -21.202 -8.345 -5.238 1.00 1.56 O1- ATOM 1670 OD2 ASP A 107 -19.967 -7.346 -6.754 1.00 1.89 O ATOM 0 H ASP A 107 -20.703 -4.745 -5.322 1.00 1.05 H new ATOM 0 HA ASP A 107 -21.207 -6.562 -3.159 1.00 0.99 H new ATOM 0 HB2 ASP A 107 -18.772 -6.192 -4.938 1.00 0.97 H new ATOM 0 HB3 ASP A 107 -19.032 -7.535 -3.843 1.00 0.97 H new ATOM 1675 N ILE A 108 -18.828 -4.257 -2.940 1.00 0.90 N ATOM 1676 CA ILE A 108 -17.949 -3.524 -2.028 1.00 0.84 C ATOM 1677 C ILE A 108 -18.730 -2.960 -0.845 1.00 0.86 C ATOM 1678 O ILE A 108 -18.310 -3.092 0.305 1.00 0.83 O ATOM 1679 CB ILE A 108 -17.219 -2.363 -2.742 1.00 0.85 C ATOM 1680 CG1 ILE A 108 -16.593 -2.836 -4.060 1.00 0.86 C ATOM 1681 CG2 ILE A 108 -16.148 -1.777 -1.831 1.00 0.80 C ATOM 1682 CD1 ILE A 108 -15.921 -1.732 -4.848 1.00 0.90 C ATOM 0 H ILE A 108 -18.793 -3.928 -3.905 1.00 0.90 H new ATOM 0 HA ILE A 108 -17.209 -4.240 -1.670 1.00 0.84 H new ATOM 0 HB ILE A 108 -17.952 -1.590 -2.972 1.00 0.85 H new ATOM 0 HG12 ILE A 108 -15.860 -3.614 -3.845 1.00 0.86 H new ATOM 0 HG13 ILE A 108 -17.368 -3.290 -4.677 1.00 0.86 H new ATOM 0 HG21 ILE A 108 -15.641 -0.960 -2.344 1.00 0.80 H new ATOM 0 HG22 ILE A 108 -16.612 -1.400 -0.920 1.00 0.80 H new ATOM 0 HG23 ILE A 108 -15.424 -2.551 -1.576 1.00 0.80 H new ATOM 0 HD11 ILE A 108 -15.502 -2.144 -5.766 1.00 0.90 H new ATOM 0 HD12 ILE A 108 -16.654 -0.964 -5.095 1.00 0.90 H new ATOM 0 HD13 ILE A 108 -15.122 -1.293 -4.250 1.00 0.90 H new ATOM 1694 N ARG A 109 -19.866 -2.342 -1.135 1.00 0.91 N ATOM 1695 CA ARG A 109 -20.706 -1.757 -0.099 1.00 0.94 C ATOM 1696 C ARG A 109 -21.145 -2.822 0.905 1.00 0.94 C ATOM 1697 O ARG A 109 -21.058 -2.618 2.114 1.00 0.94 O ATOM 1698 CB ARG A 109 -21.925 -1.075 -0.723 1.00 1.00 C ATOM 1699 CG ARG A 109 -22.613 -0.102 0.218 1.00 1.05 C ATOM 1700 CD ARG A 109 -23.793 0.584 -0.453 1.00 1.12 C ATOM 1701 NE ARG A 109 -24.558 1.415 0.479 1.00 1.24 N ATOM 1702 CZ ARG A 109 -25.594 0.970 1.191 1.00 1.71 C ATOM 1703 NH1 ARG A 109 -25.971 -0.299 1.110 1.00 2.19 N1+ ATOM 1704 NH2 ARG A 109 -26.248 1.791 1.995 1.00 1.94 N ATOM 0 H ARG A 109 -20.228 -2.232 -2.082 1.00 0.91 H new ATOM 0 HA ARG A 109 -20.122 -1.006 0.433 1.00 0.94 H new ATOM 0 HB2 ARG A 109 -21.615 -0.543 -1.622 1.00 1.00 H new ATOM 0 HB3 ARG A 109 -22.640 -1.837 -1.034 1.00 1.00 H new ATOM 0 HG2 ARG A 109 -22.957 -0.634 1.105 1.00 1.05 H new ATOM 0 HG3 ARG A 109 -21.897 0.649 0.554 1.00 1.05 H new ATOM 0 HD2 ARG A 109 -23.431 1.202 -1.275 1.00 1.12 H new ATOM 0 HD3 ARG A 109 -24.450 -0.170 -0.887 1.00 1.12 H new ATOM 0 HE ARG A 109 -24.282 2.391 0.590 1.00 1.24 H new ATOM 0 HH11 ARG A 109 -25.467 -0.943 0.500 1.00 2.19 H new ATOM 0 HH12 ARG A 109 -26.765 -0.631 1.658 1.00 2.19 H new ATOM 0 HH21 ARG A 109 -25.960 2.767 2.071 1.00 1.94 H new ATOM 0 HH22 ARG A 109 -27.040 1.449 2.539 1.00 1.94 H new ATOM 1718 N ASP A 110 -21.578 -3.968 0.395 1.00 0.95 N ATOM 1719 CA ASP A 110 -22.029 -5.063 1.246 1.00 0.97 C ATOM 1720 C ASP A 110 -20.888 -5.574 2.129 1.00 0.92 C ATOM 1721 O ASP A 110 -21.083 -5.841 3.314 1.00 0.92 O ATOM 1722 CB ASP A 110 -22.589 -6.202 0.394 1.00 1.01 C ATOM 1723 CG ASP A 110 -23.046 -7.389 1.221 1.00 1.34 C ATOM 1724 OD1 ASP A 110 -24.146 -7.329 1.817 1.00 1.85 O1- ATOM 1725 OD2 ASP A 110 -22.314 -8.395 1.270 1.00 1.95 O ATOM 0 H ASP A 110 -21.627 -4.164 -0.605 1.00 0.95 H new ATOM 0 HA ASP A 110 -22.820 -4.686 1.894 1.00 0.97 H new ATOM 0 HB2 ASP A 110 -23.428 -5.830 -0.194 1.00 1.01 H new ATOM 0 HB3 ASP A 110 -21.826 -6.530 -0.312 1.00 1.01 H new ATOM 1730 N VAL A 111 -19.697 -5.696 1.541 1.00 0.88 N ATOM 1731 CA VAL A 111 -18.517 -6.160 2.268 1.00 0.84 C ATOM 1732 C VAL A 111 -18.196 -5.219 3.428 1.00 0.84 C ATOM 1733 O VAL A 111 -17.929 -5.663 4.545 1.00 0.84 O ATOM 1734 CB VAL A 111 -17.283 -6.272 1.341 1.00 0.81 C ATOM 1735 CG1 VAL A 111 -16.048 -6.687 2.130 1.00 0.78 C ATOM 1736 CG2 VAL A 111 -17.545 -7.263 0.219 1.00 0.86 C ATOM 0 H VAL A 111 -19.525 -5.479 0.559 1.00 0.88 H new ATOM 0 HA VAL A 111 -18.748 -7.152 2.656 1.00 0.84 H new ATOM 0 HB VAL A 111 -17.100 -5.290 0.905 1.00 0.81 H new ATOM 0 HG11 VAL A 111 -15.194 -6.759 1.457 1.00 0.78 H new ATOM 0 HG12 VAL A 111 -15.842 -5.944 2.900 1.00 0.78 H new ATOM 0 HG13 VAL A 111 -16.224 -7.656 2.598 1.00 0.78 H new ATOM 0 HG21 VAL A 111 -16.666 -7.328 -0.422 1.00 0.86 H new ATOM 0 HG22 VAL A 111 -17.758 -8.244 0.643 1.00 0.86 H new ATOM 0 HG23 VAL A 111 -18.399 -6.929 -0.370 1.00 0.86 H new ATOM 1746 N PHE A 112 -18.245 -3.920 3.157 1.00 0.84 N ATOM 1747 CA PHE A 112 -17.963 -2.917 4.176 1.00 0.85 C ATOM 1748 C PHE A 112 -18.976 -3.003 5.313 1.00 0.89 C ATOM 1749 O PHE A 112 -18.606 -2.980 6.488 1.00 0.92 O ATOM 1750 CB PHE A 112 -17.969 -1.511 3.571 1.00 0.87 C ATOM 1751 CG PHE A 112 -16.614 -1.044 3.118 1.00 0.83 C ATOM 1752 CD1 PHE A 112 -16.057 -1.517 1.942 1.00 0.82 C ATOM 1753 CD2 PHE A 112 -15.898 -0.127 3.871 1.00 0.83 C ATOM 1754 CE1 PHE A 112 -14.814 -1.084 1.524 1.00 0.80 C ATOM 1755 CE2 PHE A 112 -14.656 0.312 3.457 1.00 0.82 C ATOM 1756 CZ PHE A 112 -14.112 -0.168 2.281 1.00 0.79 C ATOM 0 H PHE A 112 -18.477 -3.537 2.241 1.00 0.84 H new ATOM 0 HA PHE A 112 -16.970 -3.117 4.578 1.00 0.85 H new ATOM 0 HB2 PHE A 112 -18.653 -1.493 2.722 1.00 0.87 H new ATOM 0 HB3 PHE A 112 -18.358 -0.809 4.309 1.00 0.87 H new ATOM 0 HD1 PHE A 112 -16.601 -2.233 1.344 1.00 0.82 H new ATOM 0 HD2 PHE A 112 -16.317 0.249 4.793 1.00 0.83 H new ATOM 0 HE1 PHE A 112 -14.391 -1.462 0.605 1.00 0.80 H new ATOM 0 HE2 PHE A 112 -14.110 1.030 4.052 1.00 0.82 H new ATOM 0 HZ PHE A 112 -13.140 0.173 1.955 1.00 0.79 H new ATOM 1766 N ILE A 113 -20.250 -3.128 4.956 1.00 0.92 N ATOM 1767 CA ILE A 113 -21.314 -3.230 5.947 1.00 0.97 C ATOM 1768 C ILE A 113 -21.151 -4.503 6.780 1.00 0.99 C ATOM 1769 O ILE A 113 -21.360 -4.497 7.995 1.00 1.03 O ATOM 1770 CB ILE A 113 -22.713 -3.205 5.287 1.00 1.00 C ATOM 1771 CG1 ILE A 113 -22.883 -1.929 4.455 1.00 0.98 C ATOM 1772 CG2 ILE A 113 -23.811 -3.298 6.342 1.00 1.08 C ATOM 1773 CD1 ILE A 113 -24.163 -1.893 3.650 1.00 1.33 C ATOM 0 H ILE A 113 -20.570 -3.161 3.988 1.00 0.92 H new ATOM 0 HA ILE A 113 -21.235 -2.362 6.601 1.00 0.97 H new ATOM 0 HB ILE A 113 -22.797 -4.070 4.629 1.00 1.00 H new ATOM 0 HG12 ILE A 113 -22.859 -1.066 5.121 1.00 0.98 H new ATOM 0 HG13 ILE A 113 -22.035 -1.833 3.777 1.00 0.98 H new ATOM 0 HG21 ILE A 113 -24.786 -3.279 5.855 1.00 1.08 H new ATOM 0 HG22 ILE A 113 -23.702 -4.228 6.899 1.00 1.08 H new ATOM 0 HG23 ILE A 113 -23.730 -2.454 7.026 1.00 1.08 H new ATOM 0 HD11 ILE A 113 -24.213 -0.961 3.088 1.00 1.33 H new ATOM 0 HD12 ILE A 113 -24.182 -2.735 2.959 1.00 1.33 H new ATOM 0 HD13 ILE A 113 -25.018 -1.957 4.323 1.00 1.33 H new ATOM 1785 N ASN A 114 -20.749 -5.584 6.124 1.00 0.97 N ATOM 1786 CA ASN A 114 -20.547 -6.863 6.802 1.00 1.00 C ATOM 1787 C ASN A 114 -19.359 -6.787 7.758 1.00 0.99 C ATOM 1788 O ASN A 114 -19.353 -7.429 8.809 1.00 1.02 O ATOM 1789 CB ASN A 114 -20.325 -7.983 5.782 1.00 1.01 C ATOM 1790 CG ASN A 114 -20.571 -9.365 6.364 1.00 1.40 C ATOM 1791 OD1 ASN A 114 -20.802 -9.523 7.562 1.00 1.72 O ATOM 1792 ND2 ASN A 114 -20.527 -10.378 5.517 1.00 1.93 N ATOM 0 H ASN A 114 -20.556 -5.603 5.123 1.00 0.97 H new ATOM 0 HA ASN A 114 -21.445 -7.084 7.379 1.00 1.00 H new ATOM 0 HB2 ASN A 114 -20.987 -7.829 4.930 1.00 1.01 H new ATOM 0 HB3 ASN A 114 -19.303 -7.929 5.406 1.00 1.01 H new ATOM 0 HD21 ASN A 114 -20.687 -11.329 5.850 1.00 1.93 H new ATOM 0 HD22 ASN A 114 -20.333 -10.209 4.530 1.00 1.93 H new ATOM 1799 N ALA A 115 -18.368 -5.972 7.404 1.00 0.97 N ATOM 1800 CA ALA A 115 -17.171 -5.809 8.225 1.00 0.97 C ATOM 1801 C ALA A 115 -17.464 -5.012 9.493 1.00 1.01 C ATOM 1802 O ALA A 115 -16.604 -4.884 10.368 1.00 1.10 O ATOM 1803 CB ALA A 115 -16.067 -5.140 7.421 1.00 0.94 C ATOM 0 H ALA A 115 -18.371 -5.413 6.551 1.00 0.97 H new ATOM 0 HA ALA A 115 -16.838 -6.802 8.528 1.00 0.97 H new ATOM 0 HB1 ALA A 115 -15.181 -5.025 8.045 1.00 0.94 H new ATOM 0 HB2 ALA A 115 -15.823 -5.756 6.555 1.00 0.94 H new ATOM 0 HB3 ALA A 115 -16.404 -4.159 7.085 1.00 0.94 H new ATOM 1809 N GLY A 116 -18.667 -4.460 9.578 1.00 1.01 N ATOM 1810 CA GLY A 116 -19.045 -3.700 10.751 1.00 1.05 C ATOM 1811 C GLY A 116 -19.222 -2.224 10.467 1.00 1.06 C ATOM 1812 O GLY A 116 -19.527 -1.449 11.371 1.00 1.15 O ATOM 0 H GLY A 116 -19.386 -4.525 8.857 1.00 1.01 H new ATOM 0 HA2 GLY A 116 -19.975 -4.101 11.153 1.00 1.05 H new ATOM 0 HA3 GLY A 116 -18.284 -3.828 11.521 1.00 1.05 H new ATOM 1816 N ILE A 117 -19.029 -1.833 9.216 1.00 1.01 N ATOM 1817 CA ILE A 117 -19.179 -0.438 8.823 1.00 1.02 C ATOM 1818 C ILE A 117 -20.636 -0.147 8.495 1.00 1.04 C ATOM 1819 O ILE A 117 -21.229 -0.785 7.625 1.00 1.06 O ATOM 1820 CB ILE A 117 -18.282 -0.078 7.610 1.00 0.97 C ATOM 1821 CG1 ILE A 117 -16.806 -0.029 8.030 1.00 0.94 C ATOM 1822 CG2 ILE A 117 -18.701 1.258 6.996 1.00 1.00 C ATOM 1823 CD1 ILE A 117 -16.133 -1.386 8.099 1.00 1.61 C ATOM 0 H ILE A 117 -18.768 -2.461 8.455 1.00 1.01 H new ATOM 0 HA ILE A 117 -18.860 0.179 9.663 1.00 1.02 H new ATOM 0 HB ILE A 117 -18.408 -0.855 6.856 1.00 0.97 H new ATOM 0 HG12 ILE A 117 -16.260 0.599 7.326 1.00 0.94 H new ATOM 0 HG13 ILE A 117 -16.734 0.450 9.007 1.00 0.94 H new ATOM 0 HG21 ILE A 117 -18.056 1.487 6.148 1.00 1.00 H new ATOM 0 HG22 ILE A 117 -19.736 1.195 6.659 1.00 1.00 H new ATOM 0 HG23 ILE A 117 -18.610 2.046 7.743 1.00 1.00 H new ATOM 0 HD11 ILE A 117 -15.094 -1.262 8.403 1.00 1.61 H new ATOM 0 HD12 ILE A 117 -16.651 -2.012 8.825 1.00 1.61 H new ATOM 0 HD13 ILE A 117 -16.170 -1.861 7.119 1.00 1.61 H new ATOM 1835 N LYS A 118 -21.207 0.812 9.207 1.00 1.08 N ATOM 1836 CA LYS A 118 -22.598 1.196 9.011 1.00 1.12 C ATOM 1837 C LYS A 118 -22.833 1.702 7.593 1.00 1.11 C ATOM 1838 O LYS A 118 -22.027 2.472 7.058 1.00 1.07 O ATOM 1839 CB LYS A 118 -22.989 2.285 10.013 1.00 1.18 C ATOM 1840 CG LYS A 118 -22.898 1.844 11.465 1.00 1.29 C ATOM 1841 CD LYS A 118 -24.117 1.045 11.884 1.00 1.83 C ATOM 1842 CE LYS A 118 -24.171 0.870 13.393 1.00 1.95 C ATOM 1843 NZ LYS A 118 -25.436 0.221 13.832 1.00 2.73 N1+ ATOM 0 H LYS A 118 -20.725 1.343 9.932 1.00 1.08 H new ATOM 0 HA LYS A 118 -23.216 0.313 9.171 1.00 1.12 H new ATOM 0 HB2 LYS A 118 -22.343 3.151 9.865 1.00 1.18 H new ATOM 0 HB3 LYS A 118 -24.009 2.608 9.804 1.00 1.18 H new ATOM 0 HG2 LYS A 118 -22.001 1.241 11.607 1.00 1.29 H new ATOM 0 HG3 LYS A 118 -22.798 2.720 12.106 1.00 1.29 H new ATOM 0 HD2 LYS A 118 -25.020 1.550 11.542 1.00 1.83 H new ATOM 0 HD3 LYS A 118 -24.096 0.067 11.403 1.00 1.83 H new ATOM 0 HE2 LYS A 118 -23.322 0.269 13.719 1.00 1.95 H new ATOM 0 HE3 LYS A 118 -24.076 1.843 13.875 1.00 1.95 H new ATOM 0 HZ1 LYS A 118 -25.433 0.120 14.867 1.00 2.73 H new ATOM 0 HZ2 LYS A 118 -26.245 0.807 13.543 1.00 2.73 H new ATOM 0 HZ3 LYS A 118 -25.515 -0.718 13.393 1.00 2.73 H new ATOM 1857 N GLY A 119 -23.936 1.269 6.993 1.00 1.17 N ATOM 1858 CA GLY A 119 -24.274 1.689 5.649 1.00 1.19 C ATOM 1859 C GLY A 119 -24.452 3.191 5.562 1.00 1.19 C ATOM 1860 O GLY A 119 -23.967 3.830 4.629 1.00 1.19 O ATOM 0 H GLY A 119 -24.606 0.629 7.419 1.00 1.17 H new ATOM 0 HA2 GLY A 119 -23.489 1.375 4.961 1.00 1.19 H new ATOM 0 HA3 GLY A 119 -25.192 1.194 5.333 1.00 1.19 H new ATOM 1864 N GLU A 120 -25.115 3.756 6.567 1.00 1.23 N ATOM 1865 CA GLU A 120 -25.364 5.193 6.624 1.00 1.27 C ATOM 1866 C GLU A 120 -24.055 5.961 6.779 1.00 1.20 C ATOM 1867 O GLU A 120 -23.971 7.143 6.441 1.00 1.22 O ATOM 1868 CB GLU A 120 -26.314 5.534 7.780 1.00 1.35 C ATOM 1869 CG GLU A 120 -25.876 4.986 9.132 1.00 1.80 C ATOM 1870 CD GLU A 120 -26.479 3.630 9.440 1.00 2.36 C ATOM 1871 OE1 GLU A 120 -26.114 2.648 8.765 1.00 2.88 O1- ATOM 1872 OE2 GLU A 120 -27.331 3.547 10.348 1.00 2.98 O ATOM 0 H GLU A 120 -25.492 3.235 7.359 1.00 1.23 H new ATOM 0 HA GLU A 120 -25.835 5.490 5.687 1.00 1.27 H new ATOM 0 HB2 GLU A 120 -26.405 6.618 7.852 1.00 1.35 H new ATOM 0 HB3 GLU A 120 -27.305 5.145 7.547 1.00 1.35 H new ATOM 0 HG2 GLU A 120 -24.789 4.908 9.152 1.00 1.80 H new ATOM 0 HG3 GLU A 120 -26.160 5.691 9.914 1.00 1.80 H new ATOM 1879 N GLU A 121 -23.044 5.284 7.300 1.00 1.16 N ATOM 1880 CA GLU A 121 -21.738 5.888 7.488 1.00 1.12 C ATOM 1881 C GLU A 121 -20.957 5.828 6.182 1.00 1.07 C ATOM 1882 O GLU A 121 -20.358 6.816 5.751 1.00 1.07 O ATOM 1883 CB GLU A 121 -20.977 5.155 8.595 1.00 1.10 C ATOM 1884 CG GLU A 121 -19.675 5.828 8.992 1.00 1.15 C ATOM 1885 CD GLU A 121 -19.889 7.173 9.654 1.00 1.70 C ATOM 1886 OE1 GLU A 121 -20.253 7.199 10.848 1.00 2.52 O1- ATOM 1887 OE2 GLU A 121 -19.688 8.211 8.991 1.00 1.97 O ATOM 0 H GLU A 121 -23.105 4.311 7.601 1.00 1.16 H new ATOM 0 HA GLU A 121 -21.861 6.930 7.782 1.00 1.12 H new ATOM 0 HB2 GLU A 121 -21.618 5.077 9.473 1.00 1.10 H new ATOM 0 HB3 GLU A 121 -20.764 4.138 8.265 1.00 1.10 H new ATOM 0 HG2 GLU A 121 -19.127 5.176 9.672 1.00 1.15 H new ATOM 0 HG3 GLU A 121 -19.054 5.959 8.106 1.00 1.15 H new ATOM 1894 N TYR A 122 -20.997 4.664 5.545 1.00 1.04 N ATOM 1895 CA TYR A 122 -20.300 4.451 4.285 1.00 1.01 C ATOM 1896 C TYR A 122 -20.870 5.358 3.200 1.00 1.05 C ATOM 1897 O TYR A 122 -20.120 5.973 2.445 1.00 1.05 O ATOM 1898 CB TYR A 122 -20.405 2.984 3.859 1.00 1.00 C ATOM 1899 CG TYR A 122 -19.632 2.656 2.601 1.00 0.95 C ATOM 1900 CD1 TYR A 122 -18.249 2.533 2.628 1.00 1.30 C ATOM 1901 CD2 TYR A 122 -20.283 2.472 1.390 1.00 1.50 C ATOM 1902 CE1 TYR A 122 -17.538 2.237 1.485 1.00 1.28 C ATOM 1903 CE2 TYR A 122 -19.580 2.174 0.242 1.00 1.51 C ATOM 1904 CZ TYR A 122 -18.208 2.058 0.295 1.00 0.93 C ATOM 1905 OH TYR A 122 -17.505 1.762 -0.848 1.00 0.95 O ATOM 0 H TYR A 122 -21.508 3.849 5.884 1.00 1.04 H new ATOM 0 HA TYR A 122 -19.248 4.699 4.427 1.00 1.01 H new ATOM 0 HB2 TYR A 122 -20.044 2.353 4.671 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -21.455 2.735 3.704 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -17.722 2.672 3.560 1.00 1.30 H new ATOM 0 HD2 TYR A 122 -21.358 2.564 1.346 1.00 1.50 H new ATOM 0 HE1 TYR A 122 -16.462 2.146 1.522 1.00 1.28 H new ATOM 0 HE2 TYR A 122 -20.101 2.032 -0.693 1.00 1.51 H new ATOM 0 HH TYR A 122 -17.421 2.568 -1.399 1.00 0.95 H new ATOM 1915 N ASP A 123 -22.196 5.443 3.137 1.00 1.11 N ATOM 1916 CA ASP A 123 -22.868 6.282 2.146 1.00 1.18 C ATOM 1917 C ASP A 123 -22.468 7.742 2.312 1.00 1.18 C ATOM 1918 O ASP A 123 -22.201 8.442 1.333 1.00 1.21 O ATOM 1919 CB ASP A 123 -24.389 6.162 2.266 1.00 1.25 C ATOM 1920 CG ASP A 123 -24.929 4.828 1.790 1.00 1.72 C ATOM 1921 OD1 ASP A 123 -24.354 4.230 0.853 1.00 2.30 O1- ATOM 1922 OD2 ASP A 123 -25.950 4.375 2.349 1.00 2.25 O ATOM 0 H ASP A 123 -22.828 4.941 3.761 1.00 1.11 H new ATOM 0 HA ASP A 123 -22.559 5.933 1.161 1.00 1.18 H new ATOM 0 HB2 ASP A 123 -24.676 6.311 3.307 1.00 1.25 H new ATOM 0 HB3 ASP A 123 -24.855 6.961 1.689 1.00 1.25 H new ATOM 1927 N ALA A 124 -22.422 8.196 3.560 1.00 1.18 N ATOM 1928 CA ALA A 124 -22.060 9.574 3.860 1.00 1.20 C ATOM 1929 C ALA A 124 -20.639 9.867 3.401 1.00 1.17 C ATOM 1930 O ALA A 124 -20.388 10.864 2.726 1.00 1.23 O ATOM 1931 CB ALA A 124 -22.210 9.848 5.350 1.00 1.21 C ATOM 0 H ALA A 124 -22.632 7.628 4.381 1.00 1.18 H new ATOM 0 HA ALA A 124 -22.736 10.235 3.317 1.00 1.20 H new ATOM 0 HB1 ALA A 124 -21.936 10.882 5.559 1.00 1.21 H new ATOM 0 HB2 ALA A 124 -23.245 9.679 5.649 1.00 1.21 H new ATOM 0 HB3 ALA A 124 -21.557 9.179 5.911 1.00 1.21 H new ATOM 1937 N ALA A 125 -19.722 8.969 3.746 1.00 1.09 N ATOM 1938 CA ALA A 125 -18.321 9.121 3.380 1.00 1.06 C ATOM 1939 C ALA A 125 -18.138 9.052 1.869 1.00 1.08 C ATOM 1940 O ALA A 125 -17.390 9.838 1.291 1.00 1.11 O ATOM 1941 CB ALA A 125 -17.487 8.048 4.064 1.00 1.02 C ATOM 0 H ALA A 125 -19.927 8.125 4.281 1.00 1.09 H new ATOM 0 HA ALA A 125 -17.984 10.102 3.714 1.00 1.06 H new ATOM 0 HB1 ALA A 125 -16.440 8.168 3.785 1.00 1.02 H new ATOM 0 HB2 ALA A 125 -17.588 8.143 5.145 1.00 1.02 H new ATOM 0 HB3 ALA A 125 -17.835 7.063 3.752 1.00 1.02 H new ATOM 1947 N TRP A 126 -18.856 8.130 1.235 1.00 1.07 N ATOM 1948 CA TRP A 126 -18.774 7.936 -0.209 1.00 1.10 C ATOM 1949 C TRP A 126 -19.169 9.203 -0.968 1.00 1.21 C ATOM 1950 O TRP A 126 -18.667 9.466 -2.060 1.00 1.25 O ATOM 1951 CB TRP A 126 -19.681 6.771 -0.629 1.00 1.12 C ATOM 1952 CG TRP A 126 -19.640 6.464 -2.097 1.00 1.15 C ATOM 1953 CD1 TRP A 126 -20.520 6.896 -3.048 1.00 1.31 C ATOM 1954 CD2 TRP A 126 -18.676 5.657 -2.781 1.00 1.04 C ATOM 1955 NE1 TRP A 126 -20.160 6.413 -4.280 1.00 1.30 N ATOM 1956 CE2 TRP A 126 -19.030 5.649 -4.141 1.00 1.14 C ATOM 1957 CE3 TRP A 126 -17.547 4.941 -2.373 1.00 0.92 C ATOM 1958 CZ2 TRP A 126 -18.297 4.954 -5.097 1.00 1.09 C ATOM 1959 CZ3 TRP A 126 -16.820 4.252 -3.325 1.00 0.89 C ATOM 1960 CH2 TRP A 126 -17.197 4.265 -4.672 1.00 0.96 C ATOM 0 H TRP A 126 -19.507 7.500 1.704 1.00 1.07 H new ATOM 0 HA TRP A 126 -17.739 7.704 -0.460 1.00 1.10 H new ATOM 0 HB2 TRP A 126 -19.390 5.879 -0.074 1.00 1.12 H new ATOM 0 HB3 TRP A 126 -20.708 7.003 -0.345 1.00 1.12 H new ATOM 0 HD1 TRP A 126 -21.376 7.527 -2.857 1.00 1.31 H new ATOM 0 HE1 TRP A 126 -20.652 6.593 -5.155 1.00 1.30 H new ATOM 0 HE3 TRP A 126 -17.249 4.927 -1.335 1.00 0.92 H new ATOM 0 HZ2 TRP A 126 -18.587 4.959 -6.137 1.00 1.09 H new ATOM 0 HZ3 TRP A 126 -15.946 3.694 -3.024 1.00 0.89 H new ATOM 0 HH2 TRP A 126 -16.605 3.718 -5.391 1.00 0.96 H new ATOM 1971 N ASN A 127 -20.054 9.994 -0.377 1.00 1.27 N ATOM 1972 CA ASN A 127 -20.523 11.218 -1.016 1.00 1.39 C ATOM 1973 C ASN A 127 -19.750 12.448 -0.542 1.00 1.41 C ATOM 1974 O ASN A 127 -19.628 13.427 -1.276 1.00 1.53 O ATOM 1975 CB ASN A 127 -22.023 11.406 -0.759 1.00 1.49 C ATOM 1976 CG ASN A 127 -22.878 10.480 -1.609 1.00 1.52 C ATOM 1977 OD1 ASN A 127 -23.254 10.815 -2.732 1.00 1.63 O ATOM 1978 ND2 ASN A 127 -23.198 9.307 -1.079 1.00 1.49 N ATOM 0 H ASN A 127 -20.461 9.812 0.540 1.00 1.27 H new ATOM 0 HA ASN A 127 -20.347 11.115 -2.087 1.00 1.39 H new ATOM 0 HB2 ASN A 127 -22.234 11.225 0.295 1.00 1.49 H new ATOM 0 HB3 ASN A 127 -22.297 12.441 -0.966 1.00 1.49 H new ATOM 0 HD21 ASN A 127 -23.773 8.650 -1.605 1.00 1.49 H new ATOM 0 HD22 ASN A 127 -22.869 9.062 -0.145 1.00 1.49 H new ATOM 1985 N SER A 128 -19.204 12.383 0.666 1.00 1.34 N ATOM 1986 CA SER A 128 -18.464 13.505 1.239 1.00 1.37 C ATOM 1987 C SER A 128 -17.182 13.819 0.463 1.00 1.36 C ATOM 1988 O SER A 128 -16.551 12.932 -0.120 1.00 1.34 O ATOM 1989 CB SER A 128 -18.130 13.216 2.704 1.00 1.32 C ATOM 1990 OG SER A 128 -19.305 13.206 3.499 1.00 2.04 O ATOM 0 H SER A 128 -19.259 11.564 1.271 1.00 1.34 H new ATOM 0 HA SER A 128 -19.106 14.383 1.171 1.00 1.37 H new ATOM 0 HB2 SER A 128 -17.625 12.253 2.783 1.00 1.32 H new ATOM 0 HB3 SER A 128 -17.439 13.971 3.079 1.00 1.32 H new ATOM 0 HG SER A 128 -19.884 12.468 3.217 1.00 2.04 H new ATOM 1996 N PHE A 129 -16.804 15.097 0.472 1.00 1.41 N ATOM 1997 CA PHE A 129 -15.609 15.572 -0.225 1.00 1.43 C ATOM 1998 C PHE A 129 -14.333 15.144 0.488 1.00 1.32 C ATOM 1999 O PHE A 129 -13.263 15.110 -0.120 1.00 1.24 O ATOM 2000 CB PHE A 129 -15.635 17.097 -0.363 1.00 1.58 C ATOM 2001 CG PHE A 129 -16.411 17.572 -1.556 1.00 2.28 C ATOM 2002 CD1 PHE A 129 -15.838 17.555 -2.816 1.00 2.95 C ATOM 2003 CD2 PHE A 129 -17.708 18.034 -1.418 1.00 2.61 C ATOM 2004 CE1 PHE A 129 -16.548 17.990 -3.918 1.00 3.66 C ATOM 2005 CE2 PHE A 129 -18.422 18.471 -2.515 1.00 3.39 C ATOM 2006 CZ PHE A 129 -17.839 18.447 -3.767 1.00 3.82 C ATOM 0 H PHE A 129 -17.316 15.831 0.962 1.00 1.41 H new ATOM 0 HA PHE A 129 -15.613 15.119 -1.217 1.00 1.43 H new ATOM 0 HB2 PHE A 129 -16.068 17.529 0.539 1.00 1.58 H new ATOM 0 HB3 PHE A 129 -14.612 17.466 -0.433 1.00 1.58 H new ATOM 0 HD1 PHE A 129 -14.826 17.198 -2.939 1.00 2.95 H new ATOM 0 HD2 PHE A 129 -18.167 18.053 -0.440 1.00 2.61 H new ATOM 0 HE1 PHE A 129 -16.092 17.972 -4.897 1.00 3.66 H new ATOM 0 HE2 PHE A 129 -19.433 18.831 -2.395 1.00 3.39 H new ATOM 0 HZ PHE A 129 -18.395 18.787 -4.628 1.00 3.82 H new ATOM 2016 N VAL A 130 -14.446 14.825 1.775 1.00 1.34 N ATOM 2017 CA VAL A 130 -13.292 14.387 2.558 1.00 1.27 C ATOM 2018 C VAL A 130 -12.634 13.184 1.893 1.00 1.13 C ATOM 2019 O VAL A 130 -11.422 13.163 1.663 1.00 1.06 O ATOM 2020 CB VAL A 130 -13.688 14.004 3.999 1.00 1.34 C ATOM 2021 CG1 VAL A 130 -12.457 13.621 4.812 1.00 1.30 C ATOM 2022 CG2 VAL A 130 -14.447 15.137 4.675 1.00 1.53 C ATOM 0 H VAL A 130 -15.322 14.861 2.297 1.00 1.34 H new ATOM 0 HA VAL A 130 -12.595 15.224 2.601 1.00 1.27 H new ATOM 0 HB VAL A 130 -14.349 13.138 3.948 1.00 1.34 H new ATOM 0 HG11 VAL A 130 -12.758 13.354 5.825 1.00 1.30 H new ATOM 0 HG12 VAL A 130 -11.963 12.769 4.345 1.00 1.30 H new ATOM 0 HG13 VAL A 130 -11.768 14.465 4.849 1.00 1.30 H new ATOM 0 HG21 VAL A 130 -14.714 14.841 5.689 1.00 1.53 H new ATOM 0 HG22 VAL A 130 -13.818 16.026 4.710 1.00 1.53 H new ATOM 0 HG23 VAL A 130 -15.353 15.356 4.110 1.00 1.53 H new ATOM 2032 N VAL A 131 -13.454 12.195 1.567 1.00 1.11 N ATOM 2033 CA VAL A 131 -12.983 10.985 0.920 1.00 1.01 C ATOM 2034 C VAL A 131 -12.475 11.296 -0.486 1.00 0.96 C ATOM 2035 O VAL A 131 -11.424 10.805 -0.895 1.00 0.90 O ATOM 2036 CB VAL A 131 -14.109 9.928 0.862 1.00 1.04 C ATOM 2037 CG1 VAL A 131 -13.772 8.805 -0.108 1.00 0.98 C ATOM 2038 CG2 VAL A 131 -14.370 9.370 2.253 1.00 1.08 C ATOM 0 H VAL A 131 -14.458 12.211 1.744 1.00 1.11 H new ATOM 0 HA VAL A 131 -12.158 10.580 1.506 1.00 1.01 H new ATOM 0 HB VAL A 131 -15.013 10.416 0.497 1.00 1.04 H new ATOM 0 HG11 VAL A 131 -14.586 8.080 -0.123 1.00 0.98 H new ATOM 0 HG12 VAL A 131 -13.635 9.217 -1.108 1.00 0.98 H new ATOM 0 HG13 VAL A 131 -12.853 8.312 0.211 1.00 0.98 H new ATOM 0 HG21 VAL A 131 -15.165 8.626 2.203 1.00 1.08 H new ATOM 0 HG22 VAL A 131 -13.461 8.905 2.635 1.00 1.08 H new ATOM 0 HG23 VAL A 131 -14.671 10.179 2.919 1.00 1.08 H new ATOM 2048 N LYS A 132 -13.207 12.149 -1.197 1.00 1.02 N ATOM 2049 CA LYS A 132 -12.841 12.541 -2.560 1.00 1.01 C ATOM 2050 C LYS A 132 -11.436 13.139 -2.601 1.00 0.96 C ATOM 2051 O LYS A 132 -10.649 12.847 -3.505 1.00 0.91 O ATOM 2052 CB LYS A 132 -13.856 13.542 -3.117 1.00 1.11 C ATOM 2053 CG LYS A 132 -15.192 12.916 -3.480 1.00 1.32 C ATOM 2054 CD LYS A 132 -16.207 13.961 -3.909 1.00 1.44 C ATOM 2055 CE LYS A 132 -17.373 13.323 -4.648 1.00 1.93 C ATOM 2056 NZ LYS A 132 -18.664 13.489 -3.929 1.00 2.43 N1+ ATOM 0 H LYS A 132 -14.062 12.585 -0.852 1.00 1.02 H new ATOM 0 HA LYS A 132 -12.849 11.646 -3.181 1.00 1.01 H new ATOM 0 HB2 LYS A 132 -14.021 14.328 -2.380 1.00 1.11 H new ATOM 0 HB3 LYS A 132 -13.435 14.019 -4.002 1.00 1.11 H new ATOM 0 HG2 LYS A 132 -15.049 12.196 -4.286 1.00 1.32 H new ATOM 0 HG3 LYS A 132 -15.579 12.363 -2.624 1.00 1.32 H new ATOM 0 HD2 LYS A 132 -16.576 14.495 -3.033 1.00 1.44 H new ATOM 0 HD3 LYS A 132 -15.725 14.698 -4.551 1.00 1.44 H new ATOM 0 HE2 LYS A 132 -17.455 13.765 -5.641 1.00 1.93 H new ATOM 0 HE3 LYS A 132 -17.173 12.261 -4.787 1.00 1.93 H new ATOM 0 HZ1 LYS A 132 -19.338 12.768 -4.256 1.00 2.43 H new ATOM 0 HZ2 LYS A 132 -18.508 13.380 -2.907 1.00 2.43 H new ATOM 0 HZ3 LYS A 132 -19.049 14.436 -4.121 1.00 2.43 H new ATOM 2070 N SER A 133 -11.124 13.964 -1.604 1.00 0.99 N ATOM 2071 CA SER A 133 -9.815 14.594 -1.513 1.00 0.96 C ATOM 2072 C SER A 133 -8.729 13.532 -1.334 1.00 0.88 C ATOM 2073 O SER A 133 -7.655 13.616 -1.931 1.00 0.86 O ATOM 2074 CB SER A 133 -9.790 15.593 -0.349 1.00 1.04 C ATOM 2075 OG SER A 133 -10.862 16.520 -0.448 1.00 1.47 O ATOM 0 H SER A 133 -11.763 14.210 -0.848 1.00 0.99 H new ATOM 0 HA SER A 133 -9.618 15.136 -2.438 1.00 0.96 H new ATOM 0 HB2 SER A 133 -9.856 15.056 0.597 1.00 1.04 H new ATOM 0 HB3 SER A 133 -8.841 16.129 -0.346 1.00 1.04 H new ATOM 0 HG SER A 133 -11.710 16.060 -0.275 1.00 1.47 H new ATOM 2081 N LEU A 134 -9.028 12.511 -0.535 1.00 0.85 N ATOM 2082 CA LEU A 134 -8.083 11.432 -0.296 1.00 0.79 C ATOM 2083 C LEU A 134 -7.868 10.619 -1.569 1.00 0.72 C ATOM 2084 O LEU A 134 -6.756 10.174 -1.850 1.00 0.69 O ATOM 2085 CB LEU A 134 -8.569 10.524 0.831 1.00 0.80 C ATOM 2086 CG LEU A 134 -8.621 11.166 2.220 1.00 0.88 C ATOM 2087 CD1 LEU A 134 -9.213 10.196 3.231 1.00 0.91 C ATOM 2088 CD2 LEU A 134 -7.231 11.595 2.656 1.00 0.93 C ATOM 0 H LEU A 134 -9.917 12.411 -0.044 1.00 0.85 H new ATOM 0 HA LEU A 134 -7.133 11.875 0.003 1.00 0.79 H new ATOM 0 HB2 LEU A 134 -9.566 10.164 0.579 1.00 0.80 H new ATOM 0 HB3 LEU A 134 -7.917 9.652 0.878 1.00 0.80 H new ATOM 0 HG LEU A 134 -9.259 12.048 2.169 1.00 0.88 H new ATOM 0 HD11 LEU A 134 -9.243 10.668 4.213 1.00 0.91 H new ATOM 0 HD12 LEU A 134 -10.224 9.926 2.927 1.00 0.91 H new ATOM 0 HD13 LEU A 134 -8.596 9.298 3.278 1.00 0.91 H new ATOM 0 HD21 LEU A 134 -7.284 12.050 3.645 1.00 0.93 H new ATOM 0 HD22 LEU A 134 -6.576 10.725 2.691 1.00 0.93 H new ATOM 0 HD23 LEU A 134 -6.834 12.319 1.945 1.00 0.93 H new ATOM 2100 N VAL A 135 -8.937 10.423 -2.333 1.00 0.73 N ATOM 2101 CA VAL A 135 -8.853 9.680 -3.587 1.00 0.69 C ATOM 2102 C VAL A 135 -7.911 10.386 -4.548 1.00 0.68 C ATOM 2103 O VAL A 135 -6.972 9.785 -5.066 1.00 0.63 O ATOM 2104 CB VAL A 135 -10.234 9.515 -4.260 1.00 0.75 C ATOM 2105 CG1 VAL A 135 -10.122 8.645 -5.501 1.00 0.73 C ATOM 2106 CG2 VAL A 135 -11.234 8.915 -3.293 1.00 0.80 C ATOM 0 H VAL A 135 -9.870 10.767 -2.107 1.00 0.73 H new ATOM 0 HA VAL A 135 -8.473 8.687 -3.347 1.00 0.69 H new ATOM 0 HB VAL A 135 -10.587 10.503 -4.555 1.00 0.75 H new ATOM 0 HG11 VAL A 135 -11.104 8.540 -5.962 1.00 0.73 H new ATOM 0 HG12 VAL A 135 -9.437 9.109 -6.210 1.00 0.73 H new ATOM 0 HG13 VAL A 135 -9.745 7.661 -5.223 1.00 0.73 H new ATOM 0 HG21 VAL A 135 -12.199 8.808 -3.788 1.00 0.80 H new ATOM 0 HG22 VAL A 135 -10.883 7.936 -2.967 1.00 0.80 H new ATOM 0 HG23 VAL A 135 -11.341 9.569 -2.427 1.00 0.80 H new ATOM 2116 N ALA A 136 -8.151 11.678 -4.748 1.00 0.74 N ATOM 2117 CA ALA A 136 -7.334 12.492 -5.643 1.00 0.75 C ATOM 2118 C ALA A 136 -5.866 12.459 -5.227 1.00 0.70 C ATOM 2119 O ALA A 136 -4.969 12.471 -6.073 1.00 0.68 O ATOM 2120 CB ALA A 136 -7.853 13.919 -5.662 1.00 0.85 C ATOM 0 H ALA A 136 -8.911 12.188 -4.298 1.00 0.74 H new ATOM 0 HA ALA A 136 -7.404 12.077 -6.648 1.00 0.75 H new ATOM 0 HB1 ALA A 136 -7.239 14.521 -6.332 1.00 0.85 H new ATOM 0 HB2 ALA A 136 -8.885 13.926 -6.012 1.00 0.85 H new ATOM 0 HB3 ALA A 136 -7.808 14.336 -4.656 1.00 0.85 H new ATOM 2126 N GLN A 137 -5.631 12.410 -3.916 1.00 0.72 N ATOM 2127 CA GLN A 137 -4.278 12.368 -3.377 1.00 0.71 C ATOM 2128 C GLN A 137 -3.597 11.058 -3.760 1.00 0.63 C ATOM 2129 O GLN A 137 -2.430 11.046 -4.154 1.00 0.63 O ATOM 2130 CB GLN A 137 -4.306 12.527 -1.855 1.00 0.78 C ATOM 2131 CG GLN A 137 -2.931 12.742 -1.244 1.00 0.84 C ATOM 2132 CD GLN A 137 -3.005 13.422 0.107 1.00 0.83 C ATOM 2133 OE1 GLN A 137 -3.050 14.645 0.194 1.00 1.08 O ATOM 2134 NE2 GLN A 137 -3.004 12.637 1.169 1.00 1.39 N ATOM 0 H GLN A 137 -6.365 12.399 -3.208 1.00 0.72 H new ATOM 0 HA GLN A 137 -3.708 13.194 -3.802 1.00 0.71 H new ATOM 0 HB2 GLN A 137 -4.946 13.371 -1.597 1.00 0.78 H new ATOM 0 HB3 GLN A 137 -4.757 11.639 -1.413 1.00 0.78 H new ATOM 0 HG2 GLN A 137 -2.428 11.781 -1.138 1.00 0.84 H new ATOM 0 HG3 GLN A 137 -2.325 13.346 -1.920 1.00 0.84 H new ATOM 0 HE21 GLN A 137 -2.966 11.624 1.055 1.00 1.39 H new ATOM 0 HE22 GLN A 137 -3.042 13.044 2.104 1.00 1.39 H new ATOM 2143 N GLN A 138 -4.347 9.964 -3.660 1.00 0.58 N ATOM 2144 CA GLN A 138 -3.830 8.644 -4.003 1.00 0.52 C ATOM 2145 C GLN A 138 -3.456 8.601 -5.475 1.00 0.55 C ATOM 2146 O GLN A 138 -2.362 8.165 -5.846 1.00 0.58 O ATOM 2147 CB GLN A 138 -4.872 7.562 -3.714 1.00 0.50 C ATOM 2148 CG GLN A 138 -5.200 7.394 -2.242 1.00 0.50 C ATOM 2149 CD GLN A 138 -6.311 6.392 -2.009 1.00 0.50 C ATOM 2150 OE1 GLN A 138 -6.072 5.192 -1.919 1.00 0.49 O ATOM 2151 NE2 GLN A 138 -7.537 6.883 -1.903 1.00 0.61 N ATOM 0 H GLN A 138 -5.317 9.966 -3.343 1.00 0.58 H new ATOM 0 HA GLN A 138 -2.947 8.454 -3.393 1.00 0.52 H new ATOM 0 HB2 GLN A 138 -5.788 7.802 -4.254 1.00 0.50 H new ATOM 0 HB3 GLN A 138 -4.511 6.611 -4.105 1.00 0.50 H new ATOM 0 HG2 GLN A 138 -4.306 7.072 -1.708 1.00 0.50 H new ATOM 0 HG3 GLN A 138 -5.491 8.358 -1.825 1.00 0.50 H new ATOM 0 HE21 GLN A 138 -7.693 7.888 -1.984 1.00 0.61 H new ATOM 0 HE22 GLN A 138 -8.325 6.256 -1.740 1.00 0.61 H new ATOM 2160 N GLU A 139 -4.372 9.075 -6.307 1.00 0.60 N ATOM 2161 CA GLU A 139 -4.168 9.103 -7.748 1.00 0.67 C ATOM 2162 C GLU A 139 -2.987 9.991 -8.120 1.00 0.64 C ATOM 2163 O GLU A 139 -2.151 9.618 -8.947 1.00 0.66 O ATOM 2164 CB GLU A 139 -5.422 9.618 -8.453 1.00 0.78 C ATOM 2165 CG GLU A 139 -6.707 8.967 -7.972 1.00 1.18 C ATOM 2166 CD GLU A 139 -7.935 9.576 -8.612 1.00 2.12 C ATOM 2167 OE1 GLU A 139 -8.171 10.789 -8.427 1.00 2.63 O1- ATOM 2168 OE2 GLU A 139 -8.664 8.847 -9.320 1.00 2.82 O ATOM 0 H GLU A 139 -5.272 9.449 -6.005 1.00 0.60 H new ATOM 0 HA GLU A 139 -3.958 8.083 -8.070 1.00 0.67 H new ATOM 0 HB2 GLU A 139 -5.494 10.695 -8.305 1.00 0.78 H new ATOM 0 HB3 GLU A 139 -5.320 9.450 -9.525 1.00 0.78 H new ATOM 0 HG2 GLU A 139 -6.676 7.900 -8.194 1.00 1.18 H new ATOM 0 HG3 GLU A 139 -6.778 9.066 -6.889 1.00 1.18 H new ATOM 2175 N LYS A 140 -2.924 11.161 -7.497 1.00 0.64 N ATOM 2176 CA LYS A 140 -1.868 12.123 -7.767 1.00 0.65 C ATOM 2177 C LYS A 140 -0.496 11.551 -7.443 1.00 0.63 C ATOM 2178 O LYS A 140 0.429 11.654 -8.245 1.00 0.64 O ATOM 2179 CB LYS A 140 -2.097 13.401 -6.964 1.00 0.71 C ATOM 2180 CG LYS A 140 -1.240 14.564 -7.440 1.00 0.85 C ATOM 2181 CD LYS A 140 -1.620 14.999 -8.849 1.00 1.16 C ATOM 2182 CE LYS A 140 -0.905 16.278 -9.249 1.00 1.57 C ATOM 2183 NZ LYS A 140 -1.400 16.809 -10.550 1.00 1.95 N1+ ATOM 0 H LYS A 140 -3.599 11.466 -6.796 1.00 0.64 H new ATOM 0 HA LYS A 140 -1.897 12.354 -8.832 1.00 0.65 H new ATOM 0 HB2 LYS A 140 -3.148 13.681 -7.029 1.00 0.71 H new ATOM 0 HB3 LYS A 140 -1.884 13.206 -5.913 1.00 0.71 H new ATOM 0 HG2 LYS A 140 -1.354 15.405 -6.756 1.00 0.85 H new ATOM 0 HG3 LYS A 140 -0.189 14.275 -7.418 1.00 0.85 H new ATOM 0 HD2 LYS A 140 -1.372 14.206 -9.555 1.00 1.16 H new ATOM 0 HD3 LYS A 140 -2.698 15.151 -8.906 1.00 1.16 H new ATOM 0 HE2 LYS A 140 -1.046 17.030 -8.473 1.00 1.57 H new ATOM 0 HE3 LYS A 140 0.166 16.088 -9.318 1.00 1.57 H new ATOM 0 HZ1 LYS A 140 -0.887 17.682 -10.787 1.00 1.95 H new ATOM 0 HZ2 LYS A 140 -1.243 16.102 -11.296 1.00 1.95 H new ATOM 0 HZ3 LYS A 140 -2.417 17.015 -10.477 1.00 1.95 H new ATOM 2197 N ALA A 141 -0.372 10.934 -6.278 1.00 0.62 N ATOM 2198 CA ALA A 141 0.897 10.361 -5.846 1.00 0.62 C ATOM 2199 C ALA A 141 1.427 9.330 -6.844 1.00 0.58 C ATOM 2200 O ALA A 141 2.609 9.339 -7.188 1.00 0.60 O ATOM 2201 CB ALA A 141 0.745 9.741 -4.468 1.00 0.65 C ATOM 0 H ALA A 141 -1.136 10.816 -5.612 1.00 0.62 H new ATOM 0 HA ALA A 141 1.628 11.168 -5.798 1.00 0.62 H new ATOM 0 HB1 ALA A 141 1.698 9.315 -4.153 1.00 0.65 H new ATOM 0 HB2 ALA A 141 0.437 10.507 -3.756 1.00 0.65 H new ATOM 0 HB3 ALA A 141 -0.009 8.955 -4.504 1.00 0.65 H new ATOM 2207 N ALA A 142 0.547 8.464 -7.325 1.00 0.56 N ATOM 2208 CA ALA A 142 0.935 7.427 -8.276 1.00 0.54 C ATOM 2209 C ALA A 142 1.227 7.996 -9.665 1.00 0.57 C ATOM 2210 O ALA A 142 2.055 7.454 -10.400 1.00 0.61 O ATOM 2211 CB ALA A 142 -0.154 6.370 -8.365 1.00 0.53 C ATOM 0 H ALA A 142 -0.441 8.457 -7.074 1.00 0.56 H new ATOM 0 HA ALA A 142 1.857 6.976 -7.909 1.00 0.54 H new ATOM 0 HB1 ALA A 142 0.144 5.600 -9.077 1.00 0.53 H new ATOM 0 HB2 ALA A 142 -0.304 5.919 -7.384 1.00 0.53 H new ATOM 0 HB3 ALA A 142 -1.083 6.832 -8.698 1.00 0.53 H new ATOM 2217 N ALA A 143 0.550 9.083 -10.023 1.00 0.58 N ATOM 2218 CA ALA A 143 0.729 9.701 -11.333 1.00 0.63 C ATOM 2219 C ALA A 143 1.899 10.678 -11.364 1.00 0.66 C ATOM 2220 O ALA A 143 2.490 10.911 -12.420 1.00 0.72 O ATOM 2221 CB ALA A 143 -0.543 10.411 -11.755 1.00 0.69 C ATOM 0 H ALA A 143 -0.128 9.554 -9.424 1.00 0.58 H new ATOM 0 HA ALA A 143 0.956 8.898 -12.034 1.00 0.63 H new ATOM 0 HB1 ALA A 143 -0.397 10.868 -12.734 1.00 0.69 H new ATOM 0 HB2 ALA A 143 -1.360 9.692 -11.809 1.00 0.69 H new ATOM 0 HB3 ALA A 143 -0.787 11.184 -11.026 1.00 0.69 H new ATOM 2227 N ASP A 144 2.222 11.261 -10.216 1.00 0.67 N ATOM 2228 CA ASP A 144 3.323 12.220 -10.134 1.00 0.71 C ATOM 2229 C ASP A 144 4.663 11.499 -10.160 1.00 0.72 C ATOM 2230 O ASP A 144 5.559 11.867 -10.921 1.00 0.79 O ATOM 2231 CB ASP A 144 3.216 13.078 -8.864 1.00 0.73 C ATOM 2232 CG ASP A 144 3.893 14.429 -9.023 1.00 0.85 C ATOM 2233 OD1 ASP A 144 5.130 14.471 -9.164 1.00 1.38 O1- ATOM 2234 OD2 ASP A 144 3.183 15.461 -9.009 1.00 1.39 O ATOM 0 H ASP A 144 1.742 11.090 -9.332 1.00 0.67 H new ATOM 0 HA ASP A 144 3.256 12.877 -11.001 1.00 0.71 H new ATOM 0 HB2 ASP A 144 2.165 13.227 -8.617 1.00 0.73 H new ATOM 0 HB3 ASP A 144 3.668 12.544 -8.028 1.00 0.73 H new ATOM 2239 N VAL A 145 4.793 10.458 -9.347 1.00 0.68 N ATOM 2240 CA VAL A 145 6.033 9.693 -9.287 1.00 0.70 C ATOM 2241 C VAL A 145 6.109 8.691 -10.442 1.00 0.70 C ATOM 2242 O VAL A 145 7.149 8.075 -10.675 1.00 0.75 O ATOM 2243 CB VAL A 145 6.172 8.954 -7.931 1.00 0.68 C ATOM 2244 CG1 VAL A 145 5.292 7.712 -7.891 1.00 1.34 C ATOM 2245 CG2 VAL A 145 7.630 8.608 -7.642 1.00 1.34 C ATOM 0 H VAL A 145 4.059 10.125 -8.722 1.00 0.68 H new ATOM 0 HA VAL A 145 6.859 10.398 -9.379 1.00 0.70 H new ATOM 0 HB VAL A 145 5.829 9.628 -7.146 1.00 0.68 H new ATOM 0 HG11 VAL A 145 5.410 7.214 -6.929 1.00 1.34 H new ATOM 0 HG12 VAL A 145 4.249 8.000 -8.025 1.00 1.34 H new ATOM 0 HG13 VAL A 145 5.586 7.032 -8.690 1.00 1.34 H new ATOM 0 HG21 VAL A 145 7.698 8.090 -6.685 1.00 1.34 H new ATOM 0 HG22 VAL A 145 8.014 7.963 -8.432 1.00 1.34 H new ATOM 0 HG23 VAL A 145 8.220 9.524 -7.602 1.00 1.34 H new ATOM 2255 N GLN A 146 4.997 8.564 -11.175 1.00 0.68 N ATOM 2256 CA GLN A 146 4.894 7.638 -12.302 1.00 0.71 C ATOM 2257 C GLN A 146 5.170 6.214 -11.846 1.00 0.63 C ATOM 2258 O GLN A 146 6.082 5.546 -12.341 1.00 0.69 O ATOM 2259 CB GLN A 146 5.847 8.032 -13.434 1.00 0.86 C ATOM 2260 CG GLN A 146 5.473 9.341 -14.111 1.00 1.03 C ATOM 2261 CD GLN A 146 5.835 9.371 -15.583 1.00 1.30 C ATOM 2262 OE1 GLN A 146 5.815 8.346 -16.266 1.00 1.61 O ATOM 2263 NE2 GLN A 146 6.171 10.548 -16.085 1.00 1.95 N ATOM 0 H GLN A 146 4.147 9.100 -11.002 1.00 0.68 H new ATOM 0 HA GLN A 146 3.876 7.692 -12.688 1.00 0.71 H new ATOM 0 HB2 GLN A 146 6.858 8.114 -13.036 1.00 0.86 H new ATOM 0 HB3 GLN A 146 5.862 7.237 -14.180 1.00 0.86 H new ATOM 0 HG2 GLN A 146 4.401 9.506 -14.003 1.00 1.03 H new ATOM 0 HG3 GLN A 146 5.976 10.164 -13.602 1.00 1.03 H new ATOM 0 HE21 GLN A 146 6.176 11.375 -15.488 1.00 1.95 H new ATOM 0 HE22 GLN A 146 6.425 10.629 -17.069 1.00 1.95 H new ATOM 2272 N LEU A 147 4.371 5.756 -10.896 1.00 0.55 N ATOM 2273 CA LEU A 147 4.524 4.420 -10.350 1.00 0.49 C ATOM 2274 C LEU A 147 4.191 3.364 -11.400 1.00 0.50 C ATOM 2275 O LEU A 147 3.044 3.232 -11.829 1.00 0.62 O ATOM 2276 CB LEU A 147 3.639 4.250 -9.117 1.00 0.51 C ATOM 2277 CG LEU A 147 3.806 2.924 -8.379 1.00 0.46 C ATOM 2278 CD1 LEU A 147 5.244 2.737 -7.932 1.00 0.71 C ATOM 2279 CD2 LEU A 147 2.878 2.856 -7.183 1.00 0.55 C ATOM 0 H LEU A 147 3.607 6.294 -10.486 1.00 0.55 H new ATOM 0 HA LEU A 147 5.564 4.285 -10.054 1.00 0.49 H new ATOM 0 HB2 LEU A 147 3.849 5.064 -8.423 1.00 0.51 H new ATOM 0 HB3 LEU A 147 2.597 4.351 -9.420 1.00 0.51 H new ATOM 0 HG LEU A 147 3.547 2.120 -9.068 1.00 0.46 H new ATOM 0 HD11 LEU A 147 5.341 1.786 -7.408 1.00 0.71 H new ATOM 0 HD12 LEU A 147 5.899 2.740 -8.803 1.00 0.71 H new ATOM 0 HD13 LEU A 147 5.526 3.550 -7.263 1.00 0.71 H new ATOM 0 HD21 LEU A 147 3.013 1.903 -6.671 1.00 0.55 H new ATOM 0 HD22 LEU A 147 3.108 3.672 -6.497 1.00 0.55 H new ATOM 0 HD23 LEU A 147 1.845 2.944 -7.519 1.00 0.55 H new ATOM 2291 N ARG A 148 5.215 2.636 -11.826 1.00 0.53 N ATOM 2292 CA ARG A 148 5.052 1.588 -12.823 1.00 0.64 C ATOM 2293 C ARG A 148 4.684 0.269 -12.157 1.00 0.61 C ATOM 2294 O ARG A 148 3.934 -0.536 -12.718 1.00 1.08 O ATOM 2295 CB ARG A 148 6.341 1.432 -13.631 1.00 0.84 C ATOM 2296 CG ARG A 148 6.787 2.719 -14.301 1.00 1.02 C ATOM 2297 CD ARG A 148 8.246 2.651 -14.727 1.00 1.75 C ATOM 2298 NE ARG A 148 8.662 3.859 -15.431 1.00 2.46 N ATOM 2299 CZ ARG A 148 9.816 4.493 -15.214 1.00 3.34 C ATOM 2300 NH1 ARG A 148 10.683 4.038 -14.319 1.00 3.78 N1+ ATOM 2301 NH2 ARG A 148 10.104 5.591 -15.899 1.00 4.16 N ATOM 0 H ARG A 148 6.172 2.754 -11.494 1.00 0.53 H new ATOM 0 HA ARG A 148 4.243 1.870 -13.497 1.00 0.64 H new ATOM 0 HB2 ARG A 148 7.135 1.079 -12.972 1.00 0.84 H new ATOM 0 HB3 ARG A 148 6.194 0.666 -14.392 1.00 0.84 H new ATOM 0 HG2 ARG A 148 6.161 2.912 -15.172 1.00 1.02 H new ATOM 0 HG3 ARG A 148 6.646 3.555 -13.616 1.00 1.02 H new ATOM 0 HD2 ARG A 148 8.875 2.508 -13.848 1.00 1.75 H new ATOM 0 HD3 ARG A 148 8.396 1.785 -15.371 1.00 1.75 H new ATOM 0 HE ARG A 148 8.031 4.244 -16.134 1.00 2.46 H new ATOM 0 HH11 ARG A 148 10.471 3.194 -13.787 1.00 3.78 H new ATOM 0 HH12 ARG A 148 11.562 4.532 -14.163 1.00 3.78 H new ATOM 0 HH21 ARG A 148 9.444 5.949 -16.590 1.00 4.16 H new ATOM 0 HH22 ARG A 148 10.985 6.078 -15.735 1.00 4.16 H new ATOM 2315 N GLY A 149 5.214 0.056 -10.962 1.00 0.49 N ATOM 2316 CA GLY A 149 4.931 -1.158 -10.226 1.00 0.45 C ATOM 2317 C GLY A 149 3.775 -0.958 -9.278 1.00 0.42 C ATOM 2318 O GLY A 149 3.294 0.160 -9.131 1.00 0.68 O ATOM 0 H GLY A 149 5.839 0.707 -10.487 1.00 0.49 H new ATOM 0 HA2 GLY A 149 4.700 -1.964 -10.922 1.00 0.45 H new ATOM 0 HA3 GLY A 149 5.816 -1.463 -9.667 1.00 0.45 H new ATOM 2322 N VAL A 150 3.318 -2.013 -8.632 1.00 0.31 N ATOM 2323 CA VAL A 150 2.196 -1.880 -7.714 1.00 0.32 C ATOM 2324 C VAL A 150 2.629 -1.881 -6.245 1.00 0.33 C ATOM 2325 O VAL A 150 2.358 -0.915 -5.534 1.00 0.38 O ATOM 2326 CB VAL A 150 1.116 -2.965 -7.943 1.00 0.38 C ATOM 2327 CG1 VAL A 150 -0.184 -2.587 -7.244 1.00 0.45 C ATOM 2328 CG2 VAL A 150 0.881 -3.179 -9.429 1.00 0.49 C ATOM 0 H VAL A 150 3.695 -2.956 -8.720 1.00 0.31 H new ATOM 0 HA VAL A 150 1.759 -0.906 -7.936 1.00 0.32 H new ATOM 0 HB VAL A 150 1.475 -3.900 -7.513 1.00 0.38 H new ATOM 0 HG11 VAL A 150 -0.929 -3.363 -7.418 1.00 0.45 H new ATOM 0 HG12 VAL A 150 -0.006 -2.488 -6.173 1.00 0.45 H new ATOM 0 HG13 VAL A 150 -0.548 -1.639 -7.640 1.00 0.45 H new ATOM 0 HG21 VAL A 150 0.119 -3.945 -9.570 1.00 0.49 H new ATOM 0 HG22 VAL A 150 0.546 -2.246 -9.882 1.00 0.49 H new ATOM 0 HG23 VAL A 150 1.809 -3.499 -9.902 1.00 0.49 H new ATOM 2338 N PRO A 151 3.325 -2.932 -5.756 1.00 0.35 N ATOM 2339 CA PRO A 151 3.741 -3.008 -4.359 1.00 0.41 C ATOM 2340 C PRO A 151 5.062 -2.285 -4.118 1.00 0.40 C ATOM 2341 O PRO A 151 6.097 -2.910 -3.874 1.00 0.56 O ATOM 2342 CB PRO A 151 3.889 -4.523 -4.112 1.00 0.50 C ATOM 2343 CG PRO A 151 3.709 -5.191 -5.445 1.00 0.53 C ATOM 2344 CD PRO A 151 3.801 -4.110 -6.487 1.00 0.37 C ATOM 0 HA PRO A 151 3.029 -2.528 -3.687 1.00 0.41 H new ATOM 0 HB2 PRO A 151 4.868 -4.754 -3.691 1.00 0.50 H new ATOM 0 HB3 PRO A 151 3.144 -4.874 -3.398 1.00 0.50 H new ATOM 0 HG2 PRO A 151 4.476 -5.949 -5.605 1.00 0.53 H new ATOM 0 HG3 PRO A 151 2.745 -5.697 -5.497 1.00 0.53 H new ATOM 0 HD2 PRO A 151 4.821 -3.980 -6.849 1.00 0.37 H new ATOM 0 HD3 PRO A 151 3.180 -4.328 -7.356 1.00 0.37 H new ATOM 2352 N ALA A 152 5.022 -0.968 -4.200 1.00 0.38 N ATOM 2353 CA ALA A 152 6.211 -0.162 -3.995 1.00 0.38 C ATOM 2354 C ALA A 152 6.045 0.746 -2.787 1.00 0.40 C ATOM 2355 O ALA A 152 4.974 1.314 -2.572 1.00 0.63 O ATOM 2356 CB ALA A 152 6.508 0.658 -5.236 1.00 0.40 C ATOM 0 H ALA A 152 4.178 -0.433 -4.407 1.00 0.38 H new ATOM 0 HA ALA A 152 7.051 -0.830 -3.806 1.00 0.38 H new ATOM 0 HB1 ALA A 152 7.402 1.259 -5.070 1.00 0.40 H new ATOM 0 HB2 ALA A 152 6.671 -0.009 -6.082 1.00 0.40 H new ATOM 0 HB3 ALA A 152 5.664 1.315 -5.449 1.00 0.40 H new ATOM 2362 N MET A 153 7.106 0.872 -2.004 1.00 0.32 N ATOM 2363 CA MET A 153 7.094 1.710 -0.815 1.00 0.31 C ATOM 2364 C MET A 153 8.038 2.891 -1.003 1.00 0.31 C ATOM 2365 O MET A 153 9.127 2.740 -1.565 1.00 0.34 O ATOM 2366 CB MET A 153 7.498 0.888 0.411 1.00 0.34 C ATOM 2367 CG MET A 153 6.891 1.395 1.708 1.00 0.35 C ATOM 2368 SD MET A 153 7.065 0.216 3.063 1.00 0.38 S ATOM 2369 CE MET A 153 6.022 -1.122 2.486 1.00 0.42 C ATOM 0 H MET A 153 7.994 0.400 -2.173 1.00 0.32 H new ATOM 0 HA MET A 153 6.086 2.092 -0.657 1.00 0.31 H new ATOM 0 HB2 MET A 153 7.197 -0.148 0.259 1.00 0.34 H new ATOM 0 HB3 MET A 153 8.584 0.894 0.501 1.00 0.34 H new ATOM 0 HG2 MET A 153 7.369 2.335 1.985 1.00 0.35 H new ATOM 0 HG3 MET A 153 5.834 1.609 1.551 1.00 0.35 H new ATOM 0 HE1 MET A 153 5.319 -1.400 3.271 1.00 0.42 H new ATOM 0 HE2 MET A 153 5.470 -0.799 1.603 1.00 0.42 H new ATOM 0 HE3 MET A 153 6.641 -1.982 2.232 1.00 0.42 H new ATOM 2379 N PHE A 154 7.614 4.064 -0.559 1.00 0.33 N ATOM 2380 CA PHE A 154 8.422 5.265 -0.692 1.00 0.36 C ATOM 2381 C PHE A 154 8.668 5.902 0.668 1.00 0.38 C ATOM 2382 O PHE A 154 7.743 6.044 1.469 1.00 0.43 O ATOM 2383 CB PHE A 154 7.737 6.265 -1.622 1.00 0.39 C ATOM 2384 CG PHE A 154 7.553 5.750 -3.018 1.00 0.39 C ATOM 2385 CD1 PHE A 154 8.588 5.822 -3.932 1.00 0.45 C ATOM 2386 CD2 PHE A 154 6.351 5.187 -3.412 1.00 0.48 C ATOM 2387 CE1 PHE A 154 8.429 5.345 -5.215 1.00 0.48 C ATOM 2388 CE2 PHE A 154 6.185 4.707 -4.693 1.00 0.52 C ATOM 2389 CZ PHE A 154 7.226 4.787 -5.597 1.00 0.48 C ATOM 0 H PHE A 154 6.713 4.209 -0.103 1.00 0.33 H new ATOM 0 HA PHE A 154 9.383 4.983 -1.122 1.00 0.36 H new ATOM 0 HB2 PHE A 154 6.763 6.527 -1.208 1.00 0.39 H new ATOM 0 HB3 PHE A 154 8.326 7.181 -1.655 1.00 0.39 H new ATOM 0 HD1 PHE A 154 9.532 6.257 -3.637 1.00 0.45 H new ATOM 0 HD2 PHE A 154 5.535 5.123 -2.708 1.00 0.48 H new ATOM 0 HE1 PHE A 154 9.244 5.408 -5.920 1.00 0.48 H new ATOM 0 HE2 PHE A 154 5.243 4.269 -4.989 1.00 0.52 H new ATOM 0 HZ PHE A 154 7.099 4.413 -6.602 1.00 0.48 H new ATOM 2399 N VAL A 155 9.910 6.278 0.924 1.00 0.40 N ATOM 2400 CA VAL A 155 10.268 6.897 2.189 1.00 0.43 C ATOM 2401 C VAL A 155 10.396 8.406 2.034 1.00 0.46 C ATOM 2402 O VAL A 155 11.260 8.893 1.291 1.00 0.48 O ATOM 2403 CB VAL A 155 11.586 6.327 2.752 1.00 0.47 C ATOM 2404 CG1 VAL A 155 11.866 6.891 4.141 1.00 0.55 C ATOM 2405 CG2 VAL A 155 11.536 4.805 2.781 1.00 0.47 C ATOM 0 H VAL A 155 10.687 6.165 0.273 1.00 0.40 H new ATOM 0 HA VAL A 155 9.467 6.670 2.892 1.00 0.43 H new ATOM 0 HB VAL A 155 12.403 6.629 2.096 1.00 0.47 H new ATOM 0 HG11 VAL A 155 12.800 6.477 4.520 1.00 0.55 H new ATOM 0 HG12 VAL A 155 11.948 7.976 4.083 1.00 0.55 H new ATOM 0 HG13 VAL A 155 11.051 6.624 4.813 1.00 0.55 H new ATOM 0 HG21 VAL A 155 12.473 4.418 3.181 1.00 0.47 H new ATOM 0 HG22 VAL A 155 10.710 4.480 3.414 1.00 0.47 H new ATOM 0 HG23 VAL A 155 11.389 4.426 1.769 1.00 0.47 H new ATOM 2415 N ASN A 156 9.504 9.129 2.706 1.00 0.49 N ATOM 2416 CA ASN A 156 9.482 10.596 2.686 1.00 0.55 C ATOM 2417 C ASN A 156 9.364 11.133 1.260 1.00 0.54 C ATOM 2418 O ASN A 156 9.790 12.254 0.968 1.00 0.58 O ATOM 2419 CB ASN A 156 10.732 11.163 3.368 1.00 0.61 C ATOM 2420 CG ASN A 156 10.408 12.347 4.264 1.00 0.86 C ATOM 2421 OD1 ASN A 156 10.403 13.491 3.819 1.00 1.16 O ATOM 2422 ND2 ASN A 156 10.148 12.081 5.537 1.00 1.01 N ATOM 0 H ASN A 156 8.772 8.716 3.283 1.00 0.49 H new ATOM 0 HA ASN A 156 8.602 10.921 3.240 1.00 0.55 H new ATOM 0 HB2 ASN A 156 11.208 10.381 3.960 1.00 0.61 H new ATOM 0 HB3 ASN A 156 11.451 11.470 2.608 1.00 0.61 H new ATOM 0 HD21 ASN A 156 9.934 12.841 6.183 1.00 1.01 H new ATOM 0 HD22 ASN A 156 10.162 11.117 5.870 1.00 1.01 H new ATOM 2429 N GLY A 157 8.782 10.317 0.380 1.00 0.51 N ATOM 2430 CA GLY A 157 8.603 10.693 -1.014 1.00 0.52 C ATOM 2431 C GLY A 157 9.908 11.018 -1.717 1.00 0.53 C ATOM 2432 O GLY A 157 9.930 11.787 -2.679 1.00 0.56 O ATOM 0 H GLY A 157 8.427 9.390 0.614 1.00 0.51 H new ATOM 0 HA2 GLY A 157 8.106 9.879 -1.542 1.00 0.52 H new ATOM 0 HA3 GLY A 157 7.943 11.559 -1.068 1.00 0.52 H new ATOM 2436 N LYS A 158 10.994 10.430 -1.242 1.00 0.52 N ATOM 2437 CA LYS A 158 12.302 10.681 -1.831 1.00 0.55 C ATOM 2438 C LYS A 158 13.014 9.393 -2.213 1.00 0.53 C ATOM 2439 O LYS A 158 13.673 9.331 -3.249 1.00 0.58 O ATOM 2440 CB LYS A 158 13.178 11.472 -0.861 1.00 0.61 C ATOM 2441 CG LYS A 158 12.825 12.948 -0.778 1.00 0.75 C ATOM 2442 CD LYS A 158 13.753 13.689 0.173 1.00 0.96 C ATOM 2443 CE LYS A 158 13.304 13.545 1.618 1.00 1.30 C ATOM 2444 NZ LYS A 158 12.041 14.286 1.866 1.00 1.75 N1+ ATOM 0 H LYS A 158 10.998 9.780 -0.456 1.00 0.52 H new ATOM 0 HA LYS A 158 12.137 11.260 -2.740 1.00 0.55 H new ATOM 0 HB2 LYS A 158 13.093 11.031 0.132 1.00 0.61 H new ATOM 0 HB3 LYS A 158 14.220 11.374 -1.165 1.00 0.61 H new ATOM 0 HG2 LYS A 158 12.887 13.395 -1.770 1.00 0.75 H new ATOM 0 HG3 LYS A 158 11.794 13.059 -0.442 1.00 0.75 H new ATOM 0 HD2 LYS A 158 14.767 13.304 0.066 1.00 0.96 H new ATOM 0 HD3 LYS A 158 13.783 14.745 -0.096 1.00 0.96 H new ATOM 0 HE2 LYS A 158 13.162 12.490 1.854 1.00 1.30 H new ATOM 0 HE3 LYS A 158 14.084 13.918 2.282 1.00 1.30 H new ATOM 0 HZ1 LYS A 158 11.391 13.689 2.417 1.00 1.75 H new ATOM 0 HZ2 LYS A 158 12.247 15.156 2.398 1.00 1.75 H new ATOM 0 HZ3 LYS A 158 11.599 14.533 0.957 1.00 1.75 H new ATOM 2458 N TYR A 159 12.893 8.369 -1.378 1.00 0.50 N ATOM 2459 CA TYR A 159 13.563 7.104 -1.641 1.00 0.49 C ATOM 2460 C TYR A 159 12.577 6.035 -2.087 1.00 0.44 C ATOM 2461 O TYR A 159 11.499 5.896 -1.510 1.00 0.45 O ATOM 2462 CB TYR A 159 14.311 6.634 -0.393 1.00 0.53 C ATOM 2463 CG TYR A 159 15.173 7.706 0.235 1.00 0.63 C ATOM 2464 CD1 TYR A 159 16.394 8.061 -0.326 1.00 0.75 C ATOM 2465 CD2 TYR A 159 14.764 8.362 1.391 1.00 0.73 C ATOM 2466 CE1 TYR A 159 17.181 9.040 0.249 1.00 0.92 C ATOM 2467 CE2 TYR A 159 15.546 9.342 1.967 1.00 0.89 C ATOM 2468 CZ TYR A 159 16.752 9.673 1.395 1.00 0.96 C ATOM 2469 OH TYR A 159 17.532 10.645 1.973 1.00 1.16 O ATOM 0 H TYR A 159 12.342 8.389 -0.520 1.00 0.50 H new ATOM 0 HA TYR A 159 14.275 7.266 -2.450 1.00 0.49 H new ATOM 0 HB2 TYR A 159 13.588 6.283 0.343 1.00 0.53 H new ATOM 0 HB3 TYR A 159 14.938 5.782 -0.655 1.00 0.53 H new ATOM 0 HD1 TYR A 159 16.732 7.565 -1.224 1.00 0.75 H new ATOM 0 HD2 TYR A 159 13.820 8.100 1.845 1.00 0.73 H new ATOM 0 HE1 TYR A 159 18.127 9.308 -0.197 1.00 0.92 H new ATOM 0 HE2 TYR A 159 15.213 9.846 2.862 1.00 0.89 H new ATOM 0 HH TYR A 159 17.084 10.991 2.773 1.00 1.16 H new ATOM 2479 N GLN A 160 12.959 5.291 -3.115 1.00 0.43 N ATOM 2480 CA GLN A 160 12.135 4.222 -3.660 1.00 0.40 C ATOM 2481 C GLN A 160 12.735 2.868 -3.306 1.00 0.40 C ATOM 2482 O GLN A 160 13.946 2.680 -3.396 1.00 0.46 O ATOM 2483 CB GLN A 160 12.045 4.371 -5.181 1.00 0.44 C ATOM 2484 CG GLN A 160 11.384 3.192 -5.885 1.00 0.48 C ATOM 2485 CD GLN A 160 11.668 3.166 -7.373 1.00 0.72 C ATOM 2486 OE1 GLN A 160 12.717 3.622 -7.830 1.00 0.98 O ATOM 2487 NE2 GLN A 160 10.737 2.621 -8.141 1.00 0.91 N ATOM 0 H GLN A 160 13.851 5.412 -3.595 1.00 0.43 H new ATOM 0 HA GLN A 160 11.135 4.286 -3.231 1.00 0.40 H new ATOM 0 HB2 GLN A 160 11.487 5.278 -5.414 1.00 0.44 H new ATOM 0 HB3 GLN A 160 13.050 4.503 -5.582 1.00 0.44 H new ATOM 0 HG2 GLN A 160 11.735 2.263 -5.436 1.00 0.48 H new ATOM 0 HG3 GLN A 160 10.307 3.236 -5.726 1.00 0.48 H new ATOM 0 HE21 GLN A 160 9.882 2.255 -7.723 1.00 0.91 H new ATOM 0 HE22 GLN A 160 10.875 2.568 -9.150 1.00 0.91 H new ATOM 2496 N LEU A 161 11.888 1.937 -2.889 1.00 0.39 N ATOM 2497 CA LEU A 161 12.343 0.595 -2.538 1.00 0.40 C ATOM 2498 C LEU A 161 12.459 -0.275 -3.787 1.00 0.37 C ATOM 2499 O LEU A 161 11.530 -0.346 -4.591 1.00 0.37 O ATOM 2500 CB LEU A 161 11.382 -0.056 -1.540 1.00 0.45 C ATOM 2501 CG LEU A 161 11.886 -0.146 -0.097 1.00 0.51 C ATOM 2502 CD1 LEU A 161 13.113 -1.037 -0.011 1.00 1.13 C ATOM 2503 CD2 LEU A 161 12.191 1.238 0.453 1.00 1.20 C ATOM 0 H LEU A 161 10.884 2.084 -2.785 1.00 0.39 H new ATOM 0 HA LEU A 161 13.326 0.681 -2.075 1.00 0.40 H new ATOM 0 HB2 LEU A 161 10.447 0.505 -1.545 1.00 0.45 H new ATOM 0 HB3 LEU A 161 11.152 -1.063 -1.889 1.00 0.45 H new ATOM 0 HG LEU A 161 11.098 -0.590 0.511 1.00 0.51 H new ATOM 0 HD11 LEU A 161 13.455 -1.087 1.023 1.00 1.13 H new ATOM 0 HD12 LEU A 161 12.860 -2.039 -0.359 1.00 1.13 H new ATOM 0 HD13 LEU A 161 13.906 -0.626 -0.636 1.00 1.13 H new ATOM 0 HD21 LEU A 161 12.548 1.151 1.479 1.00 1.20 H new ATOM 0 HD22 LEU A 161 12.959 1.712 -0.159 1.00 1.20 H new ATOM 0 HD23 LEU A 161 11.286 1.845 0.434 1.00 1.20 H new ATOM 2515 N ASN A 162 13.601 -0.925 -3.948 1.00 0.40 N ATOM 2516 CA ASN A 162 13.829 -1.785 -5.102 1.00 0.41 C ATOM 2517 C ASN A 162 13.929 -3.246 -4.675 1.00 0.41 C ATOM 2518 O ASN A 162 14.974 -3.690 -4.198 1.00 0.45 O ATOM 2519 CB ASN A 162 15.104 -1.373 -5.841 1.00 0.50 C ATOM 2520 CG ASN A 162 15.417 -2.289 -7.016 1.00 0.56 C ATOM 2521 OD1 ASN A 162 14.514 -2.810 -7.672 1.00 0.62 O ATOM 2522 ND2 ASN A 162 16.698 -2.506 -7.276 1.00 0.72 N ATOM 0 H ASN A 162 14.384 -0.875 -3.296 1.00 0.40 H new ATOM 0 HA ASN A 162 12.980 -1.672 -5.776 1.00 0.41 H new ATOM 0 HB2 ASN A 162 14.997 -0.349 -6.200 1.00 0.50 H new ATOM 0 HB3 ASN A 162 15.943 -1.381 -5.145 1.00 0.50 H new ATOM 0 HD21 ASN A 162 16.965 -3.123 -8.043 1.00 0.72 H new ATOM 0 HD22 ASN A 162 17.417 -2.056 -6.709 1.00 0.72 H new ATOM 2529 N PRO A 163 12.845 -4.019 -4.849 1.00 0.41 N ATOM 2530 CA PRO A 163 12.817 -5.437 -4.481 1.00 0.43 C ATOM 2531 C PRO A 163 13.681 -6.294 -5.406 1.00 0.45 C ATOM 2532 O PRO A 163 14.008 -7.432 -5.083 1.00 0.52 O ATOM 2533 CB PRO A 163 11.340 -5.817 -4.628 1.00 0.46 C ATOM 2534 CG PRO A 163 10.776 -4.836 -5.595 1.00 0.54 C ATOM 2535 CD PRO A 163 11.557 -3.563 -5.417 1.00 0.43 C ATOM 0 HA PRO A 163 13.216 -5.604 -3.480 1.00 0.43 H new ATOM 0 HB2 PRO A 163 11.231 -6.838 -4.995 1.00 0.46 H new ATOM 0 HB3 PRO A 163 10.823 -5.766 -3.670 1.00 0.46 H new ATOM 0 HG2 PRO A 163 10.863 -5.205 -6.617 1.00 0.54 H new ATOM 0 HG3 PRO A 163 9.716 -4.670 -5.405 1.00 0.54 H new ATOM 0 HD2 PRO A 163 11.699 -3.044 -6.365 1.00 0.43 H new ATOM 0 HD3 PRO A 163 11.047 -2.870 -4.748 1.00 0.43 H new ATOM 2543 N GLN A 164 14.057 -5.733 -6.548 1.00 0.48 N ATOM 2544 CA GLN A 164 14.876 -6.449 -7.521 1.00 0.53 C ATOM 2545 C GLN A 164 16.362 -6.305 -7.198 1.00 0.54 C ATOM 2546 O GLN A 164 17.221 -6.790 -7.931 1.00 0.68 O ATOM 2547 CB GLN A 164 14.582 -5.934 -8.935 1.00 0.62 C ATOM 2548 CG GLN A 164 13.361 -6.586 -9.570 1.00 0.86 C ATOM 2549 CD GLN A 164 13.593 -8.042 -9.914 1.00 1.41 C ATOM 2550 OE1 GLN A 164 14.702 -8.447 -10.269 1.00 2.22 O ATOM 2551 NE2 GLN A 164 12.542 -8.838 -9.813 1.00 1.82 N ATOM 0 H GLN A 164 13.808 -4.783 -6.825 1.00 0.48 H new ATOM 0 HA GLN A 164 14.623 -7.508 -7.470 1.00 0.53 H new ATOM 0 HB2 GLN A 164 14.431 -4.855 -8.898 1.00 0.62 H new ATOM 0 HB3 GLN A 164 15.451 -6.113 -9.568 1.00 0.62 H new ATOM 0 HG2 GLN A 164 12.515 -6.508 -8.887 1.00 0.86 H new ATOM 0 HG3 GLN A 164 13.092 -6.041 -10.475 1.00 0.86 H new ATOM 0 HE21 GLN A 164 11.643 -8.460 -9.515 1.00 1.82 H new ATOM 0 HE22 GLN A 164 12.631 -9.830 -10.033 1.00 1.82 H new ATOM 2560 N GLY A 165 16.658 -5.629 -6.101 1.00 0.51 N ATOM 2561 CA GLY A 165 18.031 -5.450 -5.684 1.00 0.54 C ATOM 2562 C GLY A 165 18.375 -6.335 -4.506 1.00 0.50 C ATOM 2563 O GLY A 165 19.373 -6.119 -3.817 1.00 0.59 O ATOM 0 H GLY A 165 15.966 -5.198 -5.488 1.00 0.51 H new ATOM 0 HA2 GLY A 165 18.697 -5.676 -6.517 1.00 0.54 H new ATOM 0 HA3 GLY A 165 18.198 -4.406 -5.417 1.00 0.54 H new ATOM 2567 N MET A 166 17.535 -7.331 -4.274 1.00 0.45 N ATOM 2568 CA MET A 166 17.721 -8.263 -3.174 1.00 0.45 C ATOM 2569 C MET A 166 17.673 -9.693 -3.690 1.00 0.48 C ATOM 2570 O MET A 166 17.268 -9.937 -4.829 1.00 0.57 O ATOM 2571 CB MET A 166 16.642 -8.041 -2.110 1.00 0.43 C ATOM 2572 CG MET A 166 16.610 -6.617 -1.575 1.00 0.43 C ATOM 2573 SD MET A 166 15.112 -6.243 -0.645 1.00 0.48 S ATOM 2574 CE MET A 166 15.186 -4.451 -0.615 1.00 0.49 C ATOM 0 H MET A 166 16.708 -7.516 -4.841 1.00 0.45 H new ATOM 0 HA MET A 166 18.697 -8.089 -2.721 1.00 0.45 H new ATOM 0 HB2 MET A 166 15.668 -8.285 -2.534 1.00 0.43 H new ATOM 0 HB3 MET A 166 16.811 -8.729 -1.282 1.00 0.43 H new ATOM 0 HG2 MET A 166 17.477 -6.457 -0.935 1.00 0.43 H new ATOM 0 HG3 MET A 166 16.696 -5.920 -2.409 1.00 0.43 H new ATOM 0 HE1 MET A 166 14.202 -4.050 -0.370 1.00 0.49 H new ATOM 0 HE2 MET A 166 15.907 -4.129 0.137 1.00 0.49 H new ATOM 0 HE3 MET A 166 15.494 -4.083 -1.594 1.00 0.49 H new ATOM 2584 N ASP A 167 18.104 -10.632 -2.862 1.00 0.55 N ATOM 2585 CA ASP A 167 18.114 -12.037 -3.242 1.00 0.62 C ATOM 2586 C ASP A 167 16.733 -12.660 -3.079 1.00 0.62 C ATOM 2587 O ASP A 167 16.083 -12.484 -2.051 1.00 0.79 O ATOM 2588 CB ASP A 167 19.127 -12.818 -2.405 1.00 0.80 C ATOM 2589 CG ASP A 167 19.088 -14.302 -2.703 1.00 0.94 C ATOM 2590 OD1 ASP A 167 19.002 -14.674 -3.895 1.00 1.54 O1- ATOM 2591 OD2 ASP A 167 19.132 -15.110 -1.752 1.00 1.38 O ATOM 0 H ASP A 167 18.452 -10.447 -1.921 1.00 0.55 H new ATOM 0 HA ASP A 167 18.401 -12.089 -4.292 1.00 0.62 H new ATOM 0 HB2 ASP A 167 20.129 -12.436 -2.600 1.00 0.80 H new ATOM 0 HB3 ASP A 167 18.924 -12.656 -1.346 1.00 0.80 H new ATOM 2596 N THR A 168 16.302 -13.396 -4.091 1.00 0.67 N ATOM 2597 CA THR A 168 15.004 -14.046 -4.069 1.00 0.79 C ATOM 2598 C THR A 168 15.115 -15.519 -3.677 1.00 0.86 C ATOM 2599 O THR A 168 14.107 -16.211 -3.551 1.00 1.04 O ATOM 2600 CB THR A 168 14.322 -13.941 -5.442 1.00 0.92 C ATOM 2601 OG1 THR A 168 15.309 -13.713 -6.458 1.00 1.03 O ATOM 2602 CG2 THR A 168 13.295 -12.816 -5.456 1.00 1.16 C ATOM 0 H THR A 168 16.838 -13.558 -4.944 1.00 0.67 H new ATOM 0 HA THR A 168 14.403 -13.531 -3.319 1.00 0.79 H new ATOM 0 HB THR A 168 13.804 -14.879 -5.641 1.00 0.92 H new ATOM 0 HG1 THR A 168 14.870 -13.648 -7.332 1.00 1.03 H new ATOM 0 HG21 THR A 168 12.827 -12.763 -6.439 1.00 1.16 H new ATOM 0 HG22 THR A 168 12.533 -13.010 -4.701 1.00 1.16 H new ATOM 0 HG23 THR A 168 13.789 -11.869 -5.238 1.00 1.16 H new ATOM 2610 N SER A 169 16.343 -15.998 -3.484 1.00 0.82 N ATOM 2611 CA SER A 169 16.561 -17.392 -3.111 1.00 0.89 C ATOM 2612 C SER A 169 16.024 -17.669 -1.706 1.00 0.80 C ATOM 2613 O SER A 169 15.504 -18.754 -1.429 1.00 0.93 O ATOM 2614 CB SER A 169 18.048 -17.743 -3.191 1.00 1.01 C ATOM 2615 OG SER A 169 18.635 -17.186 -4.355 1.00 1.53 O ATOM 0 H SER A 169 17.195 -15.445 -3.579 1.00 0.82 H new ATOM 0 HA SER A 169 16.017 -18.021 -3.816 1.00 0.89 H new ATOM 0 HB2 SER A 169 18.562 -17.371 -2.305 1.00 1.01 H new ATOM 0 HB3 SER A 169 18.171 -18.826 -3.199 1.00 1.01 H new ATOM 0 HG SER A 169 19.062 -16.333 -4.130 1.00 1.53 H new ATOM 2621 N ASN A 170 16.162 -16.690 -0.824 1.00 0.68 N ATOM 2622 CA ASN A 170 15.677 -16.811 0.545 1.00 0.69 C ATOM 2623 C ASN A 170 14.617 -15.746 0.798 1.00 0.63 C ATOM 2624 O ASN A 170 14.918 -14.552 0.850 1.00 0.60 O ATOM 2625 CB ASN A 170 16.834 -16.677 1.539 1.00 0.80 C ATOM 2626 CG ASN A 170 16.441 -17.059 2.958 1.00 0.91 C ATOM 2627 OD1 ASN A 170 15.335 -16.773 3.414 1.00 1.21 O ATOM 2628 ND2 ASN A 170 17.349 -17.708 3.672 1.00 1.14 N ATOM 0 H ASN A 170 16.609 -15.797 -1.033 1.00 0.68 H new ATOM 0 HA ASN A 170 15.232 -17.796 0.686 1.00 0.69 H new ATOM 0 HB2 ASN A 170 17.661 -17.308 1.214 1.00 0.80 H new ATOM 0 HB3 ASN A 170 17.196 -15.649 1.532 1.00 0.80 H new ATOM 0 HD21 ASN A 170 17.140 -17.986 4.631 1.00 1.14 H new ATOM 0 HD22 ASN A 170 18.257 -17.929 3.263 1.00 1.14 H new ATOM 2635 N MET A 171 13.376 -16.186 0.955 1.00 0.67 N ATOM 2636 CA MET A 171 12.252 -15.277 1.169 1.00 0.66 C ATOM 2637 C MET A 171 12.345 -14.536 2.503 1.00 0.59 C ATOM 2638 O MET A 171 12.072 -13.338 2.565 1.00 0.55 O ATOM 2639 CB MET A 171 10.930 -16.040 1.083 1.00 0.78 C ATOM 2640 CG MET A 171 10.439 -16.254 -0.338 1.00 0.95 C ATOM 2641 SD MET A 171 8.949 -17.270 -0.408 1.00 1.54 S ATOM 2642 CE MET A 171 8.552 -17.182 -2.149 1.00 1.96 C ATOM 0 H MET A 171 13.119 -17.173 0.938 1.00 0.67 H new ATOM 0 HA MET A 171 12.293 -14.527 0.379 1.00 0.66 H new ATOM 0 HB2 MET A 171 11.048 -17.010 1.567 1.00 0.78 H new ATOM 0 HB3 MET A 171 10.169 -15.495 1.642 1.00 0.78 H new ATOM 0 HG2 MET A 171 10.238 -15.287 -0.799 1.00 0.95 H new ATOM 0 HG3 MET A 171 11.226 -16.729 -0.924 1.00 0.95 H new ATOM 0 HE1 MET A 171 7.652 -17.764 -2.347 1.00 1.96 H new ATOM 0 HE2 MET A 171 8.382 -16.143 -2.431 1.00 1.96 H new ATOM 0 HE3 MET A 171 9.380 -17.586 -2.732 1.00 1.96 H new ATOM 2652 N ASP A 172 12.754 -15.232 3.557 1.00 0.63 N ATOM 2653 CA ASP A 172 12.856 -14.618 4.883 1.00 0.62 C ATOM 2654 C ASP A 172 13.840 -13.455 4.876 1.00 0.54 C ATOM 2655 O ASP A 172 13.522 -12.357 5.334 1.00 0.57 O ATOM 2656 CB ASP A 172 13.288 -15.646 5.930 1.00 0.70 C ATOM 2657 CG ASP A 172 13.456 -15.028 7.307 1.00 1.26 C ATOM 2658 OD1 ASP A 172 12.435 -14.730 7.965 1.00 1.82 O ATOM 2659 OD2 ASP A 172 14.610 -14.850 7.745 1.00 2.05 O1- ATOM 0 H ASP A 172 13.020 -16.216 3.524 1.00 0.63 H new ATOM 0 HA ASP A 172 11.867 -14.240 5.143 1.00 0.62 H new ATOM 0 HB2 ASP A 172 12.547 -16.444 5.980 1.00 0.70 H new ATOM 0 HB3 ASP A 172 14.228 -16.103 5.622 1.00 0.70 H new ATOM 2664 N VAL A 173 15.033 -13.705 4.345 1.00 0.51 N ATOM 2665 CA VAL A 173 16.067 -12.677 4.270 1.00 0.49 C ATOM 2666 C VAL A 173 15.589 -11.499 3.422 1.00 0.42 C ATOM 2667 O VAL A 173 15.847 -10.343 3.750 1.00 0.43 O ATOM 2668 CB VAL A 173 17.392 -13.232 3.690 1.00 0.55 C ATOM 2669 CG1 VAL A 173 18.430 -12.125 3.538 1.00 0.58 C ATOM 2670 CG2 VAL A 173 17.935 -14.340 4.576 1.00 0.65 C ATOM 0 H VAL A 173 15.308 -14.609 3.961 1.00 0.51 H new ATOM 0 HA VAL A 173 16.259 -12.339 5.288 1.00 0.49 H new ATOM 0 HB VAL A 173 17.181 -13.641 2.702 1.00 0.55 H new ATOM 0 HG11 VAL A 173 19.350 -12.543 3.129 1.00 0.58 H new ATOM 0 HG12 VAL A 173 18.048 -11.358 2.864 1.00 0.58 H new ATOM 0 HG13 VAL A 173 18.635 -11.682 4.513 1.00 0.58 H new ATOM 0 HG21 VAL A 173 18.866 -14.719 4.155 1.00 0.65 H new ATOM 0 HG22 VAL A 173 18.122 -13.948 5.576 1.00 0.65 H new ATOM 0 HG23 VAL A 173 17.207 -15.149 4.634 1.00 0.65 H new ATOM 2680 N PHE A 174 14.876 -11.805 2.342 1.00 0.42 N ATOM 2681 CA PHE A 174 14.352 -10.783 1.444 1.00 0.38 C ATOM 2682 C PHE A 174 13.357 -9.880 2.168 1.00 0.35 C ATOM 2683 O PHE A 174 13.506 -8.656 2.172 1.00 0.35 O ATOM 2684 CB PHE A 174 13.684 -11.439 0.231 1.00 0.41 C ATOM 2685 CG PHE A 174 12.844 -10.498 -0.586 1.00 0.39 C ATOM 2686 CD1 PHE A 174 13.434 -9.491 -1.328 1.00 0.42 C ATOM 2687 CD2 PHE A 174 11.463 -10.623 -0.611 1.00 0.44 C ATOM 2688 CE1 PHE A 174 12.666 -8.623 -2.079 1.00 0.45 C ATOM 2689 CE2 PHE A 174 10.689 -9.758 -1.360 1.00 0.47 C ATOM 2690 CZ PHE A 174 11.293 -8.757 -2.094 1.00 0.45 C ATOM 0 H PHE A 174 14.647 -12.760 2.067 1.00 0.42 H new ATOM 0 HA PHE A 174 15.185 -10.168 1.102 1.00 0.38 H new ATOM 0 HB2 PHE A 174 14.456 -11.869 -0.408 1.00 0.41 H new ATOM 0 HB3 PHE A 174 13.059 -12.263 0.575 1.00 0.41 H new ATOM 0 HD1 PHE A 174 14.508 -9.382 -1.320 1.00 0.42 H new ATOM 0 HD2 PHE A 174 10.987 -11.405 -0.038 1.00 0.44 H new ATOM 0 HE1 PHE A 174 13.139 -7.841 -2.654 1.00 0.45 H new ATOM 0 HE2 PHE A 174 9.614 -9.865 -1.371 1.00 0.47 H new ATOM 0 HZ PHE A 174 10.691 -8.079 -2.680 1.00 0.45 H new ATOM 2700 N VAL A 175 12.358 -10.497 2.793 1.00 0.37 N ATOM 2701 CA VAL A 175 11.325 -9.763 3.519 1.00 0.37 C ATOM 2702 C VAL A 175 11.930 -8.898 4.621 1.00 0.35 C ATOM 2703 O VAL A 175 11.617 -7.706 4.727 1.00 0.36 O ATOM 2704 CB VAL A 175 10.281 -10.723 4.137 1.00 0.41 C ATOM 2705 CG1 VAL A 175 9.297 -9.974 5.028 1.00 0.48 C ATOM 2706 CG2 VAL A 175 9.543 -11.481 3.046 1.00 0.45 C ATOM 0 H VAL A 175 12.242 -11.510 2.811 1.00 0.37 H new ATOM 0 HA VAL A 175 10.828 -9.118 2.795 1.00 0.37 H new ATOM 0 HB VAL A 175 10.815 -11.440 4.760 1.00 0.41 H new ATOM 0 HG11 VAL A 175 8.577 -10.677 5.446 1.00 0.48 H new ATOM 0 HG12 VAL A 175 9.839 -9.485 5.837 1.00 0.48 H new ATOM 0 HG13 VAL A 175 8.770 -9.224 4.438 1.00 0.48 H new ATOM 0 HG21 VAL A 175 8.813 -12.151 3.499 1.00 0.45 H new ATOM 0 HG22 VAL A 175 9.031 -10.773 2.394 1.00 0.45 H new ATOM 0 HG23 VAL A 175 10.256 -12.063 2.461 1.00 0.45 H new ATOM 2716 N GLN A 176 12.807 -9.484 5.420 1.00 0.37 N ATOM 2717 CA GLN A 176 13.432 -8.754 6.510 1.00 0.39 C ATOM 2718 C GLN A 176 14.310 -7.622 5.994 1.00 0.38 C ATOM 2719 O GLN A 176 14.305 -6.530 6.562 1.00 0.40 O ATOM 2720 CB GLN A 176 14.239 -9.695 7.398 1.00 0.44 C ATOM 2721 CG GLN A 176 13.365 -10.507 8.336 1.00 0.64 C ATOM 2722 CD GLN A 176 12.371 -9.641 9.091 1.00 0.81 C ATOM 2723 OE1 GLN A 176 12.667 -8.504 9.462 1.00 1.70 O ATOM 2724 NE2 GLN A 176 11.177 -10.165 9.309 1.00 1.11 N ATOM 0 H GLN A 176 13.101 -10.457 5.335 1.00 0.37 H new ATOM 0 HA GLN A 176 12.635 -8.311 7.107 1.00 0.39 H new ATOM 0 HB2 GLN A 176 14.819 -10.372 6.771 1.00 0.44 H new ATOM 0 HB3 GLN A 176 14.952 -9.114 7.983 1.00 0.44 H new ATOM 0 HG2 GLN A 176 12.825 -11.262 7.764 1.00 0.64 H new ATOM 0 HG3 GLN A 176 13.996 -11.038 9.049 1.00 0.64 H new ATOM 0 HE21 GLN A 176 10.968 -11.110 8.987 1.00 1.11 H new ATOM 0 HE22 GLN A 176 10.465 -9.624 9.799 1.00 1.11 H new ATOM 2733 N GLN A 177 15.041 -7.874 4.914 1.00 0.37 N ATOM 2734 CA GLN A 177 15.909 -6.861 4.323 1.00 0.39 C ATOM 2735 C GLN A 177 15.075 -5.698 3.801 1.00 0.37 C ATOM 2736 O GLN A 177 15.412 -4.535 4.016 1.00 0.39 O ATOM 2737 CB GLN A 177 16.754 -7.465 3.195 1.00 0.42 C ATOM 2738 CG GLN A 177 17.610 -6.454 2.448 1.00 0.56 C ATOM 2739 CD GLN A 177 18.570 -7.115 1.476 1.00 0.58 C ATOM 2740 OE1 GLN A 177 18.204 -8.291 0.990 1.00 1.02 O flip ATOM 2741 NE2 GLN A 177 19.630 -6.575 1.163 1.00 1.32 N flip ATOM 0 H GLN A 177 15.050 -8.771 4.429 1.00 0.37 H new ATOM 0 HA GLN A 177 16.585 -6.490 5.093 1.00 0.39 H new ATOM 0 HB2 GLN A 177 17.403 -8.234 3.614 1.00 0.42 H new ATOM 0 HB3 GLN A 177 16.091 -7.959 2.484 1.00 0.42 H new ATOM 0 HG2 GLN A 177 16.963 -5.766 1.904 1.00 0.56 H new ATOM 0 HG3 GLN A 177 18.176 -5.860 3.166 1.00 0.56 H new ATOM 0 HE21 GLN A 177 19.877 -5.668 1.559 1.00 1.32 H new ATOM 0 HE22 GLN A 177 20.262 -7.034 0.507 1.00 1.32 H new ATOM 2750 N TYR A 178 13.977 -6.024 3.130 1.00 0.36 N ATOM 2751 CA TYR A 178 13.076 -5.013 2.585 1.00 0.36 C ATOM 2752 C TYR A 178 12.577 -4.094 3.697 1.00 0.36 C ATOM 2753 O TYR A 178 12.727 -2.874 3.620 1.00 0.39 O ATOM 2754 CB TYR A 178 11.885 -5.687 1.889 1.00 0.37 C ATOM 2755 CG TYR A 178 11.095 -4.774 0.971 1.00 0.36 C ATOM 2756 CD1 TYR A 178 10.155 -3.880 1.481 1.00 0.40 C ATOM 2757 CD2 TYR A 178 11.273 -4.817 -0.405 1.00 0.44 C ATOM 2758 CE1 TYR A 178 9.420 -3.060 0.643 1.00 0.42 C ATOM 2759 CE2 TYR A 178 10.546 -4.000 -1.246 1.00 0.46 C ATOM 2760 CZ TYR A 178 9.619 -3.124 -0.719 1.00 0.40 C ATOM 2761 OH TYR A 178 8.887 -2.314 -1.556 1.00 0.45 O ATOM 0 H TYR A 178 13.687 -6.985 2.949 1.00 0.36 H new ATOM 0 HA TYR A 178 13.623 -4.417 1.855 1.00 0.36 H new ATOM 0 HB2 TYR A 178 12.251 -6.535 1.310 1.00 0.37 H new ATOM 0 HB3 TYR A 178 11.214 -6.086 2.650 1.00 0.37 H new ATOM 0 HD1 TYR A 178 9.998 -3.826 2.548 1.00 0.40 H new ATOM 0 HD2 TYR A 178 11.994 -5.503 -0.825 1.00 0.44 H new ATOM 0 HE1 TYR A 178 8.694 -2.374 1.054 1.00 0.42 H new ATOM 0 HE2 TYR A 178 10.702 -4.046 -2.314 1.00 0.46 H new ATOM 0 HH TYR A 178 9.149 -2.482 -2.485 1.00 0.45 H new ATOM 2771 N ALA A 179 12.006 -4.697 4.741 1.00 0.35 N ATOM 2772 CA ALA A 179 11.473 -3.949 5.875 1.00 0.37 C ATOM 2773 C ALA A 179 12.568 -3.189 6.617 1.00 0.39 C ATOM 2774 O ALA A 179 12.348 -2.070 7.083 1.00 0.43 O ATOM 2775 CB ALA A 179 10.741 -4.890 6.824 1.00 0.39 C ATOM 0 H ALA A 179 11.902 -5.708 4.822 1.00 0.35 H new ATOM 0 HA ALA A 179 10.770 -3.212 5.488 1.00 0.37 H new ATOM 0 HB1 ALA A 179 10.347 -4.322 7.667 1.00 0.39 H new ATOM 0 HB2 ALA A 179 9.919 -5.373 6.295 1.00 0.39 H new ATOM 0 HB3 ALA A 179 11.433 -5.649 7.189 1.00 0.39 H new ATOM 2781 N ASP A 180 13.747 -3.792 6.717 1.00 0.39 N ATOM 2782 CA ASP A 180 14.871 -3.161 7.405 1.00 0.44 C ATOM 2783 C ASP A 180 15.348 -1.934 6.638 1.00 0.44 C ATOM 2784 O ASP A 180 15.712 -0.921 7.239 1.00 0.49 O ATOM 2785 CB ASP A 180 16.024 -4.146 7.589 1.00 0.48 C ATOM 2786 CG ASP A 180 16.427 -4.288 9.042 1.00 0.80 C ATOM 2787 OD1 ASP A 180 15.786 -5.082 9.766 1.00 1.55 O ATOM 2788 OD2 ASP A 180 17.389 -3.611 9.470 1.00 1.40 O1- ATOM 0 H ASP A 180 13.951 -4.714 6.332 1.00 0.39 H new ATOM 0 HA ASP A 180 14.526 -2.848 8.391 1.00 0.44 H new ATOM 0 HB2 ASP A 180 15.733 -5.121 7.197 1.00 0.48 H new ATOM 0 HB3 ASP A 180 16.882 -3.811 7.006 1.00 0.48 H new ATOM 2793 N THR A 181 15.331 -2.027 5.311 1.00 0.42 N ATOM 2794 CA THR A 181 15.738 -0.915 4.461 1.00 0.43 C ATOM 2795 C THR A 181 14.822 0.279 4.695 1.00 0.42 C ATOM 2796 O THR A 181 15.279 1.421 4.801 1.00 0.45 O ATOM 2797 CB THR A 181 15.701 -1.301 2.964 1.00 0.44 C ATOM 2798 OG1 THR A 181 16.477 -2.480 2.743 1.00 0.47 O ATOM 2799 CG2 THR A 181 16.252 -0.180 2.098 1.00 0.48 C ATOM 0 H THR A 181 15.039 -2.862 4.802 1.00 0.42 H new ATOM 0 HA THR A 181 16.764 -0.656 4.723 1.00 0.43 H new ATOM 0 HB THR A 181 14.661 -1.482 2.692 1.00 0.44 H new ATOM 0 HG1 THR A 181 15.992 -3.260 3.084 1.00 0.47 H new ATOM 0 HG21 THR A 181 16.214 -0.478 1.050 1.00 0.48 H new ATOM 0 HG22 THR A 181 15.652 0.719 2.242 1.00 0.48 H new ATOM 0 HG23 THR A 181 17.285 0.024 2.380 1.00 0.48 H new ATOM 2807 N VAL A 182 13.527 0.000 4.795 1.00 0.40 N ATOM 2808 CA VAL A 182 12.534 1.038 5.037 1.00 0.40 C ATOM 2809 C VAL A 182 12.799 1.721 6.373 1.00 0.44 C ATOM 2810 O VAL A 182 12.821 2.948 6.461 1.00 0.48 O ATOM 2811 CB VAL A 182 11.100 0.465 5.034 1.00 0.40 C ATOM 2812 CG1 VAL A 182 10.075 1.570 5.225 1.00 0.43 C ATOM 2813 CG2 VAL A 182 10.825 -0.289 3.743 1.00 0.39 C ATOM 0 H VAL A 182 13.140 -0.940 4.712 1.00 0.40 H new ATOM 0 HA VAL A 182 12.617 1.763 4.228 1.00 0.40 H new ATOM 0 HB VAL A 182 11.016 -0.231 5.868 1.00 0.40 H new ATOM 0 HG11 VAL A 182 9.073 1.142 5.219 1.00 0.43 H new ATOM 0 HG12 VAL A 182 10.251 2.069 6.178 1.00 0.43 H new ATOM 0 HG13 VAL A 182 10.165 2.294 4.415 1.00 0.43 H new ATOM 0 HG21 VAL A 182 9.809 -0.684 3.762 1.00 0.39 H new ATOM 0 HG22 VAL A 182 10.935 0.388 2.896 1.00 0.39 H new ATOM 0 HG23 VAL A 182 11.533 -1.112 3.644 1.00 0.39 H new ATOM 2823 N LYS A 183 13.019 0.910 7.405 1.00 0.44 N ATOM 2824 CA LYS A 183 13.293 1.419 8.746 1.00 0.50 C ATOM 2825 C LYS A 183 14.505 2.350 8.740 1.00 0.53 C ATOM 2826 O LYS A 183 14.420 3.491 9.194 1.00 0.60 O ATOM 2827 CB LYS A 183 13.529 0.257 9.721 1.00 0.53 C ATOM 2828 CG LYS A 183 14.147 0.684 11.046 1.00 0.60 C ATOM 2829 CD LYS A 183 14.479 -0.509 11.927 1.00 0.75 C ATOM 2830 CE LYS A 183 15.680 -0.235 12.825 1.00 0.93 C ATOM 2831 NZ LYS A 183 15.420 0.849 13.804 1.00 1.59 N1+ ATOM 0 H LYS A 183 13.013 -0.108 7.337 1.00 0.44 H new ATOM 0 HA LYS A 183 12.423 1.988 9.075 1.00 0.50 H new ATOM 0 HB2 LYS A 183 12.579 -0.240 9.917 1.00 0.53 H new ATOM 0 HB3 LYS A 183 14.180 -0.477 9.246 1.00 0.53 H new ATOM 0 HG2 LYS A 183 15.054 1.258 10.855 1.00 0.60 H new ATOM 0 HG3 LYS A 183 13.457 1.343 11.573 1.00 0.60 H new ATOM 0 HD2 LYS A 183 13.615 -0.758 12.543 1.00 0.75 H new ATOM 0 HD3 LYS A 183 14.684 -1.377 11.301 1.00 0.75 H new ATOM 0 HE2 LYS A 183 15.946 -1.147 13.359 1.00 0.93 H new ATOM 0 HE3 LYS A 183 16.537 0.035 12.208 1.00 0.93 H new ATOM 0 HZ1 LYS A 183 16.234 0.940 14.445 1.00 1.59 H new ATOM 0 HZ2 LYS A 183 15.276 1.746 13.298 1.00 1.59 H new ATOM 0 HZ3 LYS A 183 14.568 0.622 14.356 1.00 1.59 H new ATOM 2845 N TYR A 184 15.621 1.865 8.204 1.00 0.52 N ATOM 2846 CA TYR A 184 16.853 2.648 8.142 1.00 0.57 C ATOM 2847 C TYR A 184 16.624 3.989 7.452 1.00 0.58 C ATOM 2848 O TYR A 184 17.119 5.017 7.903 1.00 0.65 O ATOM 2849 CB TYR A 184 17.950 1.856 7.418 1.00 0.60 C ATOM 2850 CG TYR A 184 19.122 2.702 6.961 1.00 0.70 C ATOM 2851 CD1 TYR A 184 19.954 3.331 7.880 1.00 0.84 C ATOM 2852 CD2 TYR A 184 19.386 2.880 5.608 1.00 0.74 C ATOM 2853 CE1 TYR A 184 21.013 4.114 7.464 1.00 0.99 C ATOM 2854 CE2 TYR A 184 20.447 3.660 5.185 1.00 0.88 C ATOM 2855 CZ TYR A 184 21.254 4.277 6.116 1.00 0.99 C ATOM 2856 OH TYR A 184 22.307 5.058 5.697 1.00 1.17 O ATOM 0 H TYR A 184 15.698 0.930 7.805 1.00 0.52 H new ATOM 0 HA TYR A 184 17.176 2.848 9.164 1.00 0.57 H new ATOM 0 HB2 TYR A 184 18.317 1.073 8.082 1.00 0.60 H new ATOM 0 HB3 TYR A 184 17.514 1.360 6.551 1.00 0.60 H new ATOM 0 HD1 TYR A 184 19.769 3.205 8.937 1.00 0.84 H new ATOM 0 HD2 TYR A 184 18.753 2.402 4.875 1.00 0.74 H new ATOM 0 HE1 TYR A 184 21.649 4.596 8.191 1.00 0.99 H new ATOM 0 HE2 TYR A 184 20.642 3.785 4.130 1.00 0.88 H new ATOM 0 HH TYR A 184 22.338 5.067 4.718 1.00 1.17 H new ATOM 2866 N LEU A 185 15.857 3.975 6.376 1.00 0.54 N ATOM 2867 CA LEU A 185 15.582 5.193 5.628 1.00 0.57 C ATOM 2868 C LEU A 185 14.628 6.120 6.378 1.00 0.59 C ATOM 2869 O LEU A 185 14.802 7.338 6.354 1.00 0.68 O ATOM 2870 CB LEU A 185 15.011 4.849 4.252 1.00 0.54 C ATOM 2871 CG LEU A 185 15.979 4.134 3.304 1.00 0.54 C ATOM 2872 CD1 LEU A 185 15.304 3.844 1.974 1.00 0.53 C ATOM 2873 CD2 LEU A 185 17.229 4.971 3.086 1.00 0.61 C ATOM 0 H LEU A 185 15.414 3.137 6.000 1.00 0.54 H new ATOM 0 HA LEU A 185 16.526 5.724 5.505 1.00 0.57 H new ATOM 0 HB2 LEU A 185 14.131 4.221 4.388 1.00 0.54 H new ATOM 0 HB3 LEU A 185 14.675 5.770 3.775 1.00 0.54 H new ATOM 0 HG LEU A 185 16.269 3.188 3.762 1.00 0.54 H new ATOM 0 HD11 LEU A 185 16.006 3.336 1.313 1.00 0.53 H new ATOM 0 HD12 LEU A 185 14.435 3.207 2.138 1.00 0.53 H new ATOM 0 HD13 LEU A 185 14.986 4.780 1.515 1.00 0.53 H new ATOM 0 HD21 LEU A 185 17.905 4.447 2.410 1.00 0.61 H new ATOM 0 HD22 LEU A 185 16.953 5.931 2.650 1.00 0.61 H new ATOM 0 HD23 LEU A 185 17.727 5.136 4.041 1.00 0.61 H new ATOM 2885 N SER A 186 13.627 5.552 7.047 1.00 0.55 N ATOM 2886 CA SER A 186 12.656 6.359 7.780 1.00 0.60 C ATOM 2887 C SER A 186 13.304 7.088 8.957 1.00 0.65 C ATOM 2888 O SER A 186 12.936 8.222 9.268 1.00 0.73 O ATOM 2889 CB SER A 186 11.481 5.503 8.265 1.00 0.59 C ATOM 2890 OG SER A 186 11.914 4.371 9.000 1.00 1.07 O ATOM 0 H SER A 186 13.468 4.546 7.097 1.00 0.55 H new ATOM 0 HA SER A 186 12.274 7.110 7.088 1.00 0.60 H new ATOM 0 HB2 SER A 186 10.824 6.110 8.888 1.00 0.59 H new ATOM 0 HB3 SER A 186 10.894 5.175 7.407 1.00 0.59 H new ATOM 0 HG SER A 186 12.884 4.418 9.132 1.00 1.07 H new ATOM 2896 N GLU A 187 14.275 6.447 9.598 1.00 0.66 N ATOM 2897 CA GLU A 187 14.953 7.056 10.733 1.00 0.76 C ATOM 2898 C GLU A 187 16.223 7.782 10.297 1.00 0.82 C ATOM 2899 O GLU A 187 17.082 8.110 11.117 1.00 0.98 O ATOM 2900 CB GLU A 187 15.281 6.004 11.795 1.00 0.80 C ATOM 2901 CG GLU A 187 16.191 4.892 11.300 1.00 1.10 C ATOM 2902 CD GLU A 187 16.511 3.882 12.379 1.00 1.56 C ATOM 2903 OE1 GLU A 187 15.570 3.265 12.915 1.00 2.01 O ATOM 2904 OE2 GLU A 187 17.708 3.689 12.685 1.00 2.26 O1- ATOM 0 H GLU A 187 14.607 5.514 9.353 1.00 0.66 H new ATOM 0 HA GLU A 187 14.275 7.792 11.167 1.00 0.76 H new ATOM 0 HB2 GLU A 187 15.754 6.496 12.645 1.00 0.80 H new ATOM 0 HB3 GLU A 187 14.351 5.565 12.157 1.00 0.80 H new ATOM 0 HG2 GLU A 187 15.715 4.384 10.461 1.00 1.10 H new ATOM 0 HG3 GLU A 187 17.119 5.325 10.926 1.00 1.10 H new