USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 905 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 37 TYR OH : rot 165:sc= 0.584 USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 102 SER OG : rot -89:sc= 2.07 USER MOD Set 2.1: A 99 TYR OH : rot 30:sc= 0.84 USER MOD Set 2.2: A 114 THR OG1 : rot 128:sc= 1.71 USER MOD Set 3.1: A 46 LYS NZ :NH3+ 171:sc= 0.118 (180deg=0) USER MOD Set 3.2: A 48 ASN : amide:sc= -2 K(o=-1.9,f=-6.8!) USER MOD Set 3.3: A 94 LYS NZ :NH3+ -151:sc= 0.00905 (180deg=-1.66) USER MOD Set 4.1: A 85 TYR OH : rot -70:sc= 1.31 USER MOD Set 4.2: A 93 TYR OH : rot 180:sc= 1.05 USER MOD Set 5.1: A 59 SER OG : rot 80:sc= 0.102 USER MOD Set 5.2: A 80 GLN : amide:sc= -0.0263 K(o=0.076,f=-1.4!) USER MOD Set 6.1: A 40 GLN : amide:sc= 0.967 K(o=1.5,f=-0.2) USER MOD Set 6.2: A 75 TYR OH : rot 44:sc= 0.546 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.77) USER MOD Single : A 36 TYR OH : rot -179:sc= 0.328 USER MOD Single : A 38 MET CE :methyl -171:sc= -4.58! (180deg=-5.69!) USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00264) USER MOD Single : A 47 THR OG1 : rot -80:sc= -0.0256 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= -0.195 (180deg=-0.448) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.049 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.189 F(o=-1.5,f=-0.19) USER MOD Single : A 77 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.019) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.949 K(o=-0.95,f=-6!) USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -30:sc= 0.194 USER MOD Single : A 121 ASN : amide:sc=-0.00455 X(o=-0.0045,f=-0.12) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 60:sc= -1.49 USER MOD Single : A 125 HIS :FLIP no HD1:sc= -0.107 F(o=-0.98,f=-0.11) USER MOD Single : A 127 GLN : amide:sc= -0.0236 K(o=-0.024,f=-1.4!) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 7 -7.616 7.207 5.689 1.00 34.11 N ATOM 84 CA ASP A 7 -8.360 6.179 6.409 1.00 50.40 C ATOM 85 C ASP A 7 -8.913 5.133 5.446 1.00 44.31 C ATOM 86 O ASP A 7 -9.809 4.364 5.795 1.00 11.34 O ATOM 87 CB ASP A 7 -9.502 6.811 7.206 1.00 35.22 C ATOM 88 CG ASP A 7 -10.739 7.044 6.360 1.00 21.14 C ATOM 89 OD1 ASP A 7 -10.663 7.847 5.407 1.00 70.13 O ATOM 90 OD2 ASP A 7 -11.782 6.423 6.652 1.00 71.24 O ATOM 0 HA ASP A 7 -7.675 5.685 7.099 1.00 50.40 H new ATOM 0 HB2 ASP A 7 -9.756 6.164 8.046 1.00 35.22 H new ATOM 0 HB3 ASP A 7 -9.167 7.760 7.624 1.00 35.22 H new ATOM 95 N LEU A 8 -8.373 5.111 4.232 1.00 31.52 N ATOM 96 CA LEU A 8 -8.813 4.159 3.217 1.00 4.33 C ATOM 97 C LEU A 8 -8.404 2.738 3.590 1.00 35.32 C ATOM 98 O LEU A 8 -9.007 1.767 3.131 1.00 35.55 O ATOM 99 CB LEU A 8 -8.225 4.530 1.854 1.00 32.24 C ATOM 100 CG LEU A 8 -9.123 5.365 0.941 1.00 11.22 C ATOM 101 CD1 LEU A 8 -8.684 6.821 0.948 1.00 52.30 C ATOM 102 CD2 LEU A 8 -9.109 4.809 -0.475 1.00 60.40 C ATOM 0 H LEU A 8 -7.631 5.741 3.927 1.00 31.52 H new ATOM 0 HA LEU A 8 -9.901 4.201 3.161 1.00 4.33 H new ATOM 0 HB2 LEU A 8 -7.297 5.078 2.018 1.00 32.24 H new ATOM 0 HB3 LEU A 8 -7.964 3.610 1.331 1.00 32.24 H new ATOM 0 HG LEU A 8 -10.144 5.312 1.320 1.00 11.22 H new ATOM 0 HD11 LEU A 8 -9.334 7.400 0.293 1.00 52.30 H new ATOM 0 HD12 LEU A 8 -8.747 7.215 1.962 1.00 52.30 H new ATOM 0 HD13 LEU A 8 -7.656 6.893 0.594 1.00 52.30 H new ATOM 0 HD21 LEU A 8 -9.754 5.416 -1.111 1.00 60.40 H new ATOM 0 HD22 LEU A 8 -8.091 4.831 -0.864 1.00 60.40 H new ATOM 0 HD23 LEU A 8 -9.472 3.781 -0.466 1.00 60.40 H new ATOM 114 N LEU A 9 -7.379 2.622 4.426 1.00 3.54 N ATOM 115 CA LEU A 9 -6.891 1.319 4.864 1.00 43.13 C ATOM 116 C LEU A 9 -7.251 1.065 6.324 1.00 62.21 C ATOM 117 O LEU A 9 -7.527 1.988 7.091 1.00 62.34 O ATOM 118 CB LEU A 9 -5.375 1.231 4.678 1.00 40.34 C ATOM 119 CG LEU A 9 -4.598 2.534 4.872 1.00 73.00 C ATOM 120 CD1 LEU A 9 -4.870 3.117 6.250 1.00 21.22 C ATOM 121 CD2 LEU A 9 -3.108 2.301 4.674 1.00 64.22 C ATOM 0 H LEU A 9 -6.869 3.415 4.815 1.00 3.54 H new ATOM 0 HA LEU A 9 -7.371 0.555 4.253 1.00 43.13 H new ATOM 0 HB2 LEU A 9 -4.986 0.492 5.378 1.00 40.34 H new ATOM 0 HB3 LEU A 9 -5.173 0.857 3.674 1.00 40.34 H new ATOM 0 HG LEU A 9 -4.936 3.251 4.124 1.00 73.00 H new ATOM 0 HD11 LEU A 9 -4.309 4.044 6.370 1.00 21.22 H new ATOM 0 HD12 LEU A 9 -5.935 3.322 6.355 1.00 21.22 H new ATOM 0 HD13 LEU A 9 -4.561 2.404 7.014 1.00 21.22 H new ATOM 0 HD21 LEU A 9 -2.571 3.239 4.816 1.00 64.22 H new ATOM 0 HD22 LEU A 9 -2.755 1.568 5.399 1.00 64.22 H new ATOM 0 HD23 LEU A 9 -2.929 1.929 3.665 1.00 64.22 H new ATOM 133 N PRO A 10 -7.246 -0.217 6.720 1.00 14.32 N ATOM 134 CA PRO A 10 -7.568 -0.622 8.092 1.00 64.11 C ATOM 135 C PRO A 10 -6.488 -0.209 9.086 1.00 11.34 C ATOM 136 O PRO A 10 -5.365 0.131 8.714 1.00 2.33 O ATOM 137 CB PRO A 10 -7.654 -2.148 8.000 1.00 41.32 C ATOM 138 CG PRO A 10 -6.797 -2.506 6.835 1.00 52.12 C ATOM 139 CD PRO A 10 -6.927 -1.368 5.860 1.00 71.30 C ATOM 0 HA PRO A 10 -8.482 -0.151 8.453 1.00 64.11 H new ATOM 0 HB2 PRO A 10 -7.296 -2.621 8.915 1.00 41.32 H new ATOM 0 HB3 PRO A 10 -8.682 -2.478 7.852 1.00 41.32 H new ATOM 0 HG2 PRO A 10 -5.760 -2.641 7.141 1.00 52.12 H new ATOM 0 HG3 PRO A 10 -7.122 -3.444 6.385 1.00 52.12 H new ATOM 0 HD2 PRO A 10 -6.004 -1.209 5.302 1.00 71.30 H new ATOM 0 HD3 PRO A 10 -7.714 -1.553 5.129 1.00 71.30 H new ATOM 147 N PRO A 11 -6.834 -0.238 10.382 1.00 25.11 N ATOM 148 CA PRO A 11 -5.907 0.130 11.457 1.00 60.41 C ATOM 149 C PRO A 11 -4.787 -0.891 11.631 1.00 11.42 C ATOM 150 O PRO A 11 -3.846 -0.668 12.391 1.00 4.53 O ATOM 151 CB PRO A 11 -6.800 0.161 12.700 1.00 41.13 C ATOM 152 CG PRO A 11 -7.928 -0.758 12.379 1.00 10.40 C ATOM 153 CD PRO A 11 -8.155 -0.633 10.898 1.00 70.23 C ATOM 0 HA PRO A 11 -5.402 1.074 11.255 1.00 60.41 H new ATOM 0 HB2 PRO A 11 -6.258 -0.172 13.585 1.00 41.13 H new ATOM 0 HB3 PRO A 11 -7.158 1.170 12.906 1.00 41.13 H new ATOM 0 HG2 PRO A 11 -7.684 -1.785 12.651 1.00 10.40 H new ATOM 0 HG3 PRO A 11 -8.824 -0.485 12.936 1.00 10.40 H new ATOM 0 HD2 PRO A 11 -8.492 -1.574 10.462 1.00 70.23 H new ATOM 0 HD3 PRO A 11 -8.915 0.114 10.670 1.00 70.23 H new ATOM 161 N GLU A 12 -4.896 -2.010 10.922 1.00 54.41 N ATOM 162 CA GLU A 12 -3.892 -3.064 11.000 1.00 50.21 C ATOM 163 C GLU A 12 -2.674 -2.719 10.148 1.00 71.04 C ATOM 164 O GLU A 12 -1.534 -2.838 10.596 1.00 22.23 O ATOM 165 CB GLU A 12 -4.485 -4.399 10.545 1.00 53.23 C ATOM 166 CG GLU A 12 -5.757 -4.783 11.282 1.00 0.33 C ATOM 167 CD GLU A 12 -5.547 -4.912 12.778 1.00 32.35 C ATOM 168 OE1 GLU A 12 -5.046 -5.968 13.219 1.00 55.02 O ATOM 169 OE2 GLU A 12 -5.884 -3.957 13.509 1.00 2.20 O ATOM 0 H GLU A 12 -5.669 -2.210 10.287 1.00 54.41 H new ATOM 0 HA GLU A 12 -3.574 -3.152 12.039 1.00 50.21 H new ATOM 0 HB2 GLU A 12 -4.695 -4.348 9.477 1.00 53.23 H new ATOM 0 HB3 GLU A 12 -3.742 -5.184 10.687 1.00 53.23 H new ATOM 0 HG2 GLU A 12 -6.524 -4.033 11.090 1.00 0.33 H new ATOM 0 HG3 GLU A 12 -6.129 -5.729 10.888 1.00 0.33 H new ATOM 176 N LYS A 13 -2.924 -2.291 8.915 1.00 71.33 N ATOM 177 CA LYS A 13 -1.850 -1.928 7.998 1.00 52.11 C ATOM 178 C LYS A 13 -1.541 -0.437 8.086 1.00 3.10 C ATOM 179 O LYS A 13 -0.505 0.021 7.604 1.00 12.11 O ATOM 180 CB LYS A 13 -2.231 -2.297 6.562 1.00 2.42 C ATOM 181 CG LYS A 13 -1.227 -1.822 5.526 1.00 51.02 C ATOM 182 CD LYS A 13 -1.708 -0.566 4.818 1.00 21.30 C ATOM 183 CE LYS A 13 -1.878 -0.799 3.324 1.00 4.35 C ATOM 184 NZ LYS A 13 -0.606 -0.579 2.581 1.00 71.00 N ATOM 0 H LYS A 13 -3.862 -2.187 8.528 1.00 71.33 H new ATOM 0 HA LYS A 13 -0.957 -2.484 8.285 1.00 52.11 H new ATOM 0 HB2 LYS A 13 -2.332 -3.380 6.488 1.00 2.42 H new ATOM 0 HB3 LYS A 13 -3.207 -1.870 6.333 1.00 2.42 H new ATOM 0 HG2 LYS A 13 -0.270 -1.625 6.009 1.00 51.02 H new ATOM 0 HG3 LYS A 13 -1.057 -2.611 4.794 1.00 51.02 H new ATOM 0 HD2 LYS A 13 -2.657 -0.246 5.248 1.00 21.30 H new ATOM 0 HD3 LYS A 13 -0.995 0.242 4.983 1.00 21.30 H new ATOM 0 HE2 LYS A 13 -2.228 -1.817 3.152 1.00 4.35 H new ATOM 0 HE3 LYS A 13 -2.646 -0.129 2.937 1.00 4.35 H new ATOM 0 HZ1 LYS A 13 -0.763 -0.747 1.567 1.00 71.00 H new ATOM 0 HZ2 LYS A 13 -0.285 0.400 2.724 1.00 71.00 H new ATOM 0 HZ3 LYS A 13 0.120 -1.236 2.933 1.00 71.00 H new ATOM 198 N ALA A 14 -2.445 0.315 8.706 1.00 64.23 N ATOM 199 CA ALA A 14 -2.266 1.753 8.860 1.00 42.21 C ATOM 200 C ALA A 14 -1.033 2.066 9.701 1.00 11.12 C ATOM 201 O ALA A 14 -0.505 3.178 9.658 1.00 35.30 O ATOM 202 CB ALA A 14 -3.506 2.375 9.485 1.00 3.13 C ATOM 0 H ALA A 14 -3.308 -0.048 9.110 1.00 64.23 H new ATOM 0 HA ALA A 14 -2.117 2.184 7.870 1.00 42.21 H new ATOM 0 HB1 ALA A 14 -3.358 3.449 9.594 1.00 3.13 H new ATOM 0 HB2 ALA A 14 -4.368 2.190 8.844 1.00 3.13 H new ATOM 0 HB3 ALA A 14 -3.681 1.931 10.465 1.00 3.13 H new ATOM 208 N PHE A 15 -0.579 1.079 10.467 1.00 42.43 N ATOM 209 CA PHE A 15 0.591 1.250 11.320 1.00 45.32 C ATOM 210 C PHE A 15 1.664 0.217 10.986 1.00 55.12 C ATOM 211 O PHE A 15 1.377 -0.974 10.864 1.00 63.03 O ATOM 212 CB PHE A 15 0.196 1.134 12.793 1.00 22.33 C ATOM 213 CG PHE A 15 -1.058 1.884 13.139 1.00 73.14 C ATOM 214 CD1 PHE A 15 -1.161 3.242 12.887 1.00 45.44 C ATOM 215 CD2 PHE A 15 -2.135 1.231 13.716 1.00 73.52 C ATOM 216 CE1 PHE A 15 -2.314 3.936 13.203 1.00 63.22 C ATOM 217 CE2 PHE A 15 -3.291 1.918 14.034 1.00 51.42 C ATOM 218 CZ PHE A 15 -3.380 3.273 13.778 1.00 20.11 C ATOM 0 H PHE A 15 -1.004 0.153 10.514 1.00 42.43 H new ATOM 0 HA PHE A 15 1.000 2.244 11.138 1.00 45.32 H new ATOM 0 HB2 PHE A 15 0.061 0.082 13.043 1.00 22.33 H new ATOM 0 HB3 PHE A 15 1.014 1.506 13.410 1.00 22.33 H new ATOM 0 HD1 PHE A 15 -0.330 3.765 12.438 1.00 45.44 H new ATOM 0 HD2 PHE A 15 -2.070 0.172 13.920 1.00 73.52 H new ATOM 0 HE1 PHE A 15 -2.381 4.995 13.001 1.00 63.22 H new ATOM 0 HE2 PHE A 15 -4.124 1.397 14.482 1.00 51.42 H new ATOM 0 HZ PHE A 15 -4.282 3.813 14.027 1.00 20.11 H new ATOM 228 N VAL A 16 2.900 0.682 10.839 1.00 50.44 N ATOM 229 CA VAL A 16 4.016 -0.200 10.519 1.00 11.12 C ATOM 230 C VAL A 16 5.040 -0.221 11.648 1.00 4.20 C ATOM 231 O VAL A 16 6.043 0.493 11.623 1.00 1.31 O ATOM 232 CB VAL A 16 4.714 0.228 9.215 1.00 42.12 C ATOM 233 CG1 VAL A 16 5.676 -0.852 8.745 1.00 61.44 C ATOM 234 CG2 VAL A 16 3.686 0.543 8.139 1.00 72.20 C ATOM 0 H VAL A 16 3.154 1.665 10.936 1.00 50.44 H new ATOM 0 HA VAL A 16 3.602 -1.200 10.389 1.00 11.12 H new ATOM 0 HB VAL A 16 5.289 1.133 9.411 1.00 42.12 H new ATOM 0 HG11 VAL A 16 6.160 -0.532 7.822 1.00 61.44 H new ATOM 0 HG12 VAL A 16 6.432 -1.024 9.511 1.00 61.44 H new ATOM 0 HG13 VAL A 16 5.126 -1.776 8.565 1.00 61.44 H new ATOM 0 HG21 VAL A 16 4.197 0.844 7.224 1.00 72.20 H new ATOM 0 HG22 VAL A 16 3.082 -0.343 7.943 1.00 72.20 H new ATOM 0 HG23 VAL A 16 3.041 1.354 8.478 1.00 72.20 H new ATOM 244 N PRO A 17 4.785 -1.059 12.663 1.00 22.43 N ATOM 245 CA PRO A 17 5.674 -1.195 13.821 1.00 43.32 C ATOM 246 C PRO A 17 6.992 -1.873 13.463 1.00 4.12 C ATOM 247 O PRO A 17 7.020 -2.822 12.681 1.00 75.31 O ATOM 248 CB PRO A 17 4.869 -2.067 14.787 1.00 72.33 C ATOM 249 CG PRO A 17 3.943 -2.843 13.914 1.00 22.03 C ATOM 250 CD PRO A 17 3.609 -1.940 12.759 1.00 21.30 C ATOM 0 HA PRO A 17 5.956 -0.226 14.234 1.00 43.32 H new ATOM 0 HB2 PRO A 17 5.520 -2.728 15.360 1.00 72.33 H new ATOM 0 HB3 PRO A 17 4.319 -1.459 15.505 1.00 72.33 H new ATOM 0 HG2 PRO A 17 4.413 -3.763 13.567 1.00 22.03 H new ATOM 0 HG3 PRO A 17 3.043 -3.130 14.458 1.00 22.03 H new ATOM 0 HD2 PRO A 17 3.454 -2.504 11.840 1.00 21.30 H new ATOM 0 HD3 PRO A 17 2.696 -1.373 12.943 1.00 21.30 H new ATOM 258 N GLU A 18 8.083 -1.379 14.042 1.00 72.24 N ATOM 259 CA GLU A 18 9.404 -1.939 13.782 1.00 2.34 C ATOM 260 C GLU A 18 10.261 -1.919 15.045 1.00 12.41 C ATOM 261 O GLU A 18 10.368 -0.894 15.720 1.00 43.31 O ATOM 262 CB GLU A 18 10.103 -1.159 12.666 1.00 13.15 C ATOM 263 CG GLU A 18 11.388 -1.808 12.183 1.00 64.32 C ATOM 264 CD GLU A 18 11.878 -1.227 10.871 1.00 50.22 C ATOM 265 OE1 GLU A 18 11.528 -0.067 10.568 1.00 61.22 O ATOM 266 OE2 GLU A 18 12.612 -1.932 10.147 1.00 33.30 O ATOM 0 H GLU A 18 8.078 -0.594 14.693 1.00 72.24 H new ATOM 0 HA GLU A 18 9.276 -2.974 13.466 1.00 2.34 H new ATOM 0 HB2 GLU A 18 9.419 -1.055 11.823 1.00 13.15 H new ATOM 0 HB3 GLU A 18 10.325 -0.153 13.022 1.00 13.15 H new ATOM 0 HG2 GLU A 18 12.161 -1.684 12.942 1.00 64.32 H new ATOM 0 HG3 GLU A 18 11.227 -2.879 12.064 1.00 64.32 H new ATOM 273 N LEU A 19 10.868 -3.058 15.359 1.00 42.42 N ATOM 274 CA LEU A 19 11.715 -3.173 16.541 1.00 45.52 C ATOM 275 C LEU A 19 13.192 -3.151 16.157 1.00 55.21 C ATOM 276 O LEU A 19 13.571 -3.623 15.086 1.00 44.53 O ATOM 277 CB LEU A 19 11.393 -4.461 17.300 1.00 2.32 C ATOM 278 CG LEU A 19 11.060 -4.300 18.784 1.00 44.31 C ATOM 279 CD1 LEU A 19 12.295 -3.878 19.565 1.00 1.22 C ATOM 280 CD2 LEU A 19 9.937 -3.290 18.972 1.00 22.41 C ATOM 0 H LEU A 19 10.789 -3.915 14.812 1.00 42.42 H new ATOM 0 HA LEU A 19 11.514 -2.318 17.187 1.00 45.52 H new ATOM 0 HB2 LEU A 19 10.550 -4.947 16.810 1.00 2.32 H new ATOM 0 HB3 LEU A 19 12.245 -5.135 17.210 1.00 2.32 H new ATOM 0 HG LEU A 19 10.724 -5.263 19.168 1.00 44.31 H new ATOM 0 HD11 LEU A 19 12.039 -3.768 20.619 1.00 1.22 H new ATOM 0 HD12 LEU A 19 13.071 -4.636 19.457 1.00 1.22 H new ATOM 0 HD13 LEU A 19 12.662 -2.927 19.180 1.00 1.22 H new ATOM 0 HD21 LEU A 19 9.713 -3.188 20.034 1.00 22.41 H new ATOM 0 HD22 LEU A 19 10.246 -2.324 18.572 1.00 22.41 H new ATOM 0 HD23 LEU A 19 9.047 -3.633 18.445 1.00 22.41 H new ATOM 292 N ALA A 20 14.019 -2.602 17.040 1.00 43.21 N ATOM 293 CA ALA A 20 15.454 -2.523 16.795 1.00 1.44 C ATOM 294 C ALA A 20 16.239 -2.614 18.100 1.00 60.45 C ATOM 295 O ALA A 20 16.291 -1.658 18.873 1.00 30.23 O ATOM 296 CB ALA A 20 15.794 -1.234 16.062 1.00 1.40 C ATOM 0 H ALA A 20 13.720 -2.205 17.931 1.00 43.21 H new ATOM 0 HA ALA A 20 15.738 -3.370 16.170 1.00 1.44 H new ATOM 0 HB1 ALA A 20 16.869 -1.188 15.886 1.00 1.40 H new ATOM 0 HB2 ALA A 20 15.268 -1.209 15.107 1.00 1.40 H new ATOM 0 HB3 ALA A 20 15.489 -0.380 16.667 1.00 1.40 H new ATOM 302 N VAL A 21 16.848 -3.771 18.338 1.00 65.41 N ATOM 303 CA VAL A 21 17.631 -3.988 19.549 1.00 45.23 C ATOM 304 C VAL A 21 19.033 -3.404 19.409 1.00 53.23 C ATOM 305 O VAL A 21 19.674 -3.545 18.368 1.00 52.23 O ATOM 306 CB VAL A 21 17.743 -5.487 19.884 1.00 1.14 C ATOM 307 CG1 VAL A 21 18.710 -5.705 21.038 1.00 62.30 C ATOM 308 CG2 VAL A 21 16.373 -6.063 20.210 1.00 64.02 C ATOM 0 H VAL A 21 16.814 -4.573 17.708 1.00 65.41 H new ATOM 0 HA VAL A 21 17.108 -3.480 20.359 1.00 45.23 H new ATOM 0 HB VAL A 21 18.133 -6.009 19.010 1.00 1.14 H new ATOM 0 HG11 VAL A 21 18.776 -6.770 21.261 1.00 62.30 H new ATOM 0 HG12 VAL A 21 19.696 -5.330 20.763 1.00 62.30 H new ATOM 0 HG13 VAL A 21 18.352 -5.172 21.919 1.00 62.30 H new ATOM 0 HG21 VAL A 21 16.470 -7.123 20.444 1.00 64.02 H new ATOM 0 HG22 VAL A 21 15.953 -5.539 21.068 1.00 64.02 H new ATOM 0 HG23 VAL A 21 15.713 -5.940 19.351 1.00 64.02 H new ATOM 318 N ALA A 22 19.503 -2.748 20.465 1.00 54.23 N ATOM 319 CA ALA A 22 20.829 -2.144 20.461 1.00 65.42 C ATOM 320 C ALA A 22 21.672 -2.664 21.621 1.00 43.05 C ATOM 321 O ALA A 22 21.231 -3.522 22.386 1.00 40.35 O ATOM 322 CB ALA A 22 20.720 -0.628 20.523 1.00 32.12 C ATOM 0 H ALA A 22 18.985 -2.622 21.334 1.00 54.23 H new ATOM 0 HA ALA A 22 21.325 -2.423 19.531 1.00 65.42 H new ATOM 0 HB1 ALA A 22 21.719 -0.191 20.519 1.00 32.12 H new ATOM 0 HB2 ALA A 22 20.163 -0.268 19.658 1.00 32.12 H new ATOM 0 HB3 ALA A 22 20.200 -0.338 21.436 1.00 32.12 H new ATOM 328 N ASP A 23 22.887 -2.140 21.745 1.00 54.25 N ATOM 329 CA ASP A 23 23.791 -2.551 22.812 1.00 44.32 C ATOM 330 C ASP A 23 23.607 -1.676 24.048 1.00 51.44 C ATOM 331 O ASP A 23 24.001 -2.052 25.152 1.00 72.24 O ATOM 332 CB ASP A 23 25.243 -2.481 22.334 1.00 13.22 C ATOM 333 CG ASP A 23 26.130 -3.496 23.027 1.00 32.33 C ATOM 334 OD1 ASP A 23 26.649 -3.183 24.119 1.00 50.13 O ATOM 335 OD2 ASP A 23 26.306 -4.604 22.478 1.00 75.22 O ATOM 0 H ASP A 23 23.268 -1.430 21.120 1.00 54.25 H new ATOM 0 HA ASP A 23 23.553 -3.581 23.079 1.00 44.32 H new ATOM 0 HB2 ASP A 23 25.277 -2.649 21.257 1.00 13.22 H new ATOM 0 HB3 ASP A 23 25.634 -1.479 22.513 1.00 13.22 H new ATOM 340 N ASP A 24 23.007 -0.506 23.854 1.00 72.31 N ATOM 341 CA ASP A 24 22.770 0.423 24.953 1.00 60.14 C ATOM 342 C ASP A 24 21.275 0.603 25.200 1.00 64.52 C ATOM 343 O ASP A 24 20.856 1.538 25.879 1.00 4.54 O ATOM 344 CB ASP A 24 23.416 1.776 24.653 1.00 43.25 C ATOM 345 CG ASP A 24 24.570 2.087 25.586 1.00 35.12 C ATOM 346 OD1 ASP A 24 25.594 1.376 25.521 1.00 23.31 O ATOM 347 OD2 ASP A 24 24.448 3.042 26.382 1.00 72.34 O ATOM 0 H ASP A 24 22.676 -0.179 22.946 1.00 72.31 H new ATOM 0 HA ASP A 24 23.221 0.005 25.853 1.00 60.14 H new ATOM 0 HB2 ASP A 24 23.773 1.784 23.623 1.00 43.25 H new ATOM 0 HB3 ASP A 24 22.664 2.561 24.736 1.00 43.25 H new ATOM 352 N GLY A 25 20.475 -0.301 24.642 1.00 64.14 N ATOM 353 CA GLY A 25 19.036 -0.224 24.812 1.00 43.20 C ATOM 354 C GLY A 25 18.281 -0.722 23.596 1.00 31.40 C ATOM 355 O GLY A 25 18.876 -1.271 22.668 1.00 11.32 O ATOM 0 H GLY A 25 20.798 -1.085 24.075 1.00 64.14 H new ATOM 0 HA2 GLY A 25 18.744 -0.811 25.683 1.00 43.20 H new ATOM 0 HA3 GLY A 25 18.752 0.809 25.014 1.00 43.20 H new ATOM 359 N VAL A 26 16.965 -0.534 23.600 1.00 1.42 N ATOM 360 CA VAL A 26 16.127 -0.969 22.489 1.00 11.43 C ATOM 361 C VAL A 26 15.342 0.199 21.903 1.00 51.40 C ATOM 362 O VAL A 26 14.817 1.038 22.635 1.00 63.51 O ATOM 363 CB VAL A 26 15.140 -2.067 22.927 1.00 25.43 C ATOM 364 CG1 VAL A 26 14.430 -2.659 21.720 1.00 74.32 C ATOM 365 CG2 VAL A 26 15.864 -3.150 23.714 1.00 43.13 C ATOM 0 H VAL A 26 16.456 -0.083 24.361 1.00 1.42 H new ATOM 0 HA VAL A 26 16.795 -1.373 21.728 1.00 11.43 H new ATOM 0 HB VAL A 26 14.388 -1.618 23.576 1.00 25.43 H new ATOM 0 HG11 VAL A 26 13.737 -3.433 22.049 1.00 74.32 H new ATOM 0 HG12 VAL A 26 13.879 -1.875 21.201 1.00 74.32 H new ATOM 0 HG13 VAL A 26 15.165 -3.094 21.043 1.00 74.32 H new ATOM 0 HG21 VAL A 26 15.152 -3.918 24.016 1.00 43.13 H new ATOM 0 HG22 VAL A 26 16.638 -3.598 23.090 1.00 43.13 H new ATOM 0 HG23 VAL A 26 16.322 -2.711 24.601 1.00 43.13 H new ATOM 375 N ASN A 27 15.265 0.248 20.577 1.00 64.50 N ATOM 376 CA ASN A 27 14.544 1.314 19.891 1.00 20.52 C ATOM 377 C ASN A 27 13.391 0.748 19.068 1.00 72.21 C ATOM 378 O ASN A 27 13.561 -0.217 18.322 1.00 13.04 O ATOM 379 CB ASN A 27 15.494 2.100 18.986 1.00 40.02 C ATOM 380 CG ASN A 27 15.532 3.576 19.331 1.00 41.20 C ATOM 381 OD1 ASN A 27 14.525 4.157 19.736 1.00 33.50 O ATOM 382 ND2 ASN A 27 16.698 4.191 19.171 1.00 3.15 N ATOM 0 H ASN A 27 15.693 -0.438 19.956 1.00 64.50 H new ATOM 0 HA ASN A 27 14.133 1.985 20.645 1.00 20.52 H new ATOM 0 HB2 ASN A 27 16.498 1.684 19.069 1.00 40.02 H new ATOM 0 HB3 ASN A 27 15.185 1.980 17.948 1.00 40.02 H new ATOM 0 HD21 ASN A 27 16.785 5.184 19.386 1.00 3.15 H new ATOM 0 HD22 ASN A 27 17.507 3.670 18.833 1.00 3.15 H new ATOM 389 N VAL A 28 12.217 1.356 19.208 1.00 31.50 N ATOM 390 CA VAL A 28 11.035 0.914 18.477 1.00 44.25 C ATOM 391 C VAL A 28 10.383 2.075 17.735 1.00 15.31 C ATOM 392 O VAL A 28 10.091 3.116 18.325 1.00 41.14 O ATOM 393 CB VAL A 28 9.999 0.273 19.418 1.00 0.25 C ATOM 394 CG1 VAL A 28 9.485 1.295 20.421 1.00 32.22 C ATOM 395 CG2 VAL A 28 8.852 -0.326 18.619 1.00 13.31 C ATOM 0 H VAL A 28 12.059 2.156 19.821 1.00 31.50 H new ATOM 0 HA VAL A 28 11.369 0.168 17.756 1.00 44.25 H new ATOM 0 HB VAL A 28 10.484 -0.531 19.971 1.00 0.25 H new ATOM 0 HG11 VAL A 28 8.754 0.824 21.078 1.00 32.22 H new ATOM 0 HG12 VAL A 28 10.317 1.672 21.016 1.00 32.22 H new ATOM 0 HG13 VAL A 28 9.015 2.122 19.889 1.00 32.22 H new ATOM 0 HG21 VAL A 28 8.129 -0.775 19.300 1.00 13.31 H new ATOM 0 HG22 VAL A 28 8.365 0.457 18.038 1.00 13.31 H new ATOM 0 HG23 VAL A 28 9.238 -1.091 17.945 1.00 13.31 H new ATOM 405 N ARG A 29 10.155 1.890 16.439 1.00 60.50 N ATOM 406 CA ARG A 29 9.537 2.922 15.616 1.00 14.02 C ATOM 407 C ARG A 29 8.352 2.359 14.837 1.00 71.24 C ATOM 408 O ARG A 29 8.447 1.295 14.225 1.00 62.41 O ATOM 409 CB ARG A 29 10.562 3.515 14.648 1.00 2.03 C ATOM 410 CG ARG A 29 9.985 4.574 13.723 1.00 61.21 C ATOM 411 CD ARG A 29 9.594 3.984 12.377 1.00 11.00 C ATOM 412 NE ARG A 29 10.759 3.712 11.539 1.00 12.40 N ATOM 413 CZ ARG A 29 11.431 4.655 10.888 1.00 64.22 C ATOM 414 NH1 ARG A 29 11.057 5.923 10.978 1.00 51.41 N ATOM 415 NH2 ARG A 29 12.481 4.329 10.145 1.00 64.21 N ATOM 0 H ARG A 29 10.389 1.034 15.936 1.00 60.50 H new ATOM 0 HA ARG A 29 9.174 3.709 16.277 1.00 14.02 H new ATOM 0 HB2 ARG A 29 11.380 3.952 15.221 1.00 2.03 H new ATOM 0 HB3 ARG A 29 10.988 2.712 14.046 1.00 2.03 H new ATOM 0 HG2 ARG A 29 9.111 5.029 14.190 1.00 61.21 H new ATOM 0 HG3 ARG A 29 10.717 5.368 13.575 1.00 61.21 H new ATOM 0 HD2 ARG A 29 9.037 3.060 12.534 1.00 11.00 H new ATOM 0 HD3 ARG A 29 8.928 4.674 11.859 1.00 11.00 H new ATOM 0 HE ARG A 29 11.074 2.746 11.449 1.00 12.40 H new ATOM 0 HH11 ARG A 29 10.251 6.178 11.549 1.00 51.41 H new ATOM 0 HH12 ARG A 29 11.575 6.644 10.477 1.00 51.41 H new ATOM 0 HH21 ARG A 29 12.772 3.354 10.074 1.00 64.21 H new ATOM 0 HH22 ARG A 29 12.997 5.053 9.645 1.00 64.21 H new ATOM 429 N PHE A 30 7.236 3.080 14.864 1.00 71.23 N ATOM 430 CA PHE A 30 6.032 2.652 14.161 1.00 31.31 C ATOM 431 C PHE A 30 5.524 3.751 13.232 1.00 22.24 C ATOM 432 O PHE A 30 5.207 4.855 13.675 1.00 31.23 O ATOM 433 CB PHE A 30 4.940 2.270 15.163 1.00 70.14 C ATOM 434 CG PHE A 30 5.228 2.723 16.565 1.00 21.13 C ATOM 435 CD1 PHE A 30 6.054 1.978 17.392 1.00 14.02 C ATOM 436 CD2 PHE A 30 4.674 3.894 17.057 1.00 61.21 C ATOM 437 CE1 PHE A 30 6.320 2.392 18.684 1.00 54.44 C ATOM 438 CE2 PHE A 30 4.937 4.313 18.347 1.00 11.54 C ATOM 439 CZ PHE A 30 5.762 3.562 19.161 1.00 13.14 C ATOM 0 H PHE A 30 7.140 3.963 15.365 1.00 71.23 H new ATOM 0 HA PHE A 30 6.284 1.780 13.558 1.00 31.31 H new ATOM 0 HB2 PHE A 30 3.993 2.701 14.838 1.00 70.14 H new ATOM 0 HB3 PHE A 30 4.816 1.187 15.158 1.00 70.14 H new ATOM 0 HD1 PHE A 30 6.495 1.064 17.023 1.00 14.02 H new ATOM 0 HD2 PHE A 30 4.029 4.486 16.425 1.00 61.21 H new ATOM 0 HE1 PHE A 30 6.963 1.801 19.319 1.00 54.44 H new ATOM 0 HE2 PHE A 30 4.498 5.227 18.719 1.00 11.54 H new ATOM 0 HZ PHE A 30 5.971 3.889 20.169 1.00 13.14 H new ATOM 449 N ARG A 31 5.451 3.440 11.942 1.00 0.23 N ATOM 450 CA ARG A 31 4.984 4.401 10.950 1.00 1.14 C ATOM 451 C ARG A 31 3.461 4.399 10.867 1.00 55.52 C ATOM 452 O ARG A 31 2.850 3.393 10.505 1.00 42.13 O ATOM 453 CB ARG A 31 5.581 4.081 9.579 1.00 41.23 C ATOM 454 CG ARG A 31 7.099 4.012 9.576 1.00 24.04 C ATOM 455 CD ARG A 31 7.685 4.674 8.339 1.00 24.20 C ATOM 456 NE ARG A 31 7.079 4.170 7.110 1.00 70.03 N ATOM 457 CZ ARG A 31 7.436 3.031 6.527 1.00 5.01 C ATOM 458 NH1 ARG A 31 8.392 2.281 7.060 1.00 52.55 N ATOM 459 NH2 ARG A 31 6.838 2.639 5.410 1.00 54.44 N ATOM 0 H ARG A 31 5.709 2.530 11.559 1.00 0.23 H new ATOM 0 HA ARG A 31 5.312 5.393 11.259 1.00 1.14 H new ATOM 0 HB2 ARG A 31 5.182 3.128 9.232 1.00 41.23 H new ATOM 0 HB3 ARG A 31 5.259 4.840 8.866 1.00 41.23 H new ATOM 0 HG2 ARG A 31 7.488 4.500 10.470 1.00 24.04 H new ATOM 0 HG3 ARG A 31 7.417 2.970 9.617 1.00 24.04 H new ATOM 0 HD2 ARG A 31 7.537 5.752 8.400 1.00 24.20 H new ATOM 0 HD3 ARG A 31 8.761 4.501 8.310 1.00 24.20 H new ATOM 0 HE ARG A 31 6.341 4.723 6.675 1.00 70.03 H new ATOM 0 HH11 ARG A 31 8.854 2.579 7.919 1.00 52.55 H new ATOM 0 HH12 ARG A 31 8.665 1.407 6.611 1.00 52.55 H new ATOM 0 HH21 ARG A 31 6.102 3.212 4.997 1.00 54.44 H new ATOM 0 HH22 ARG A 31 7.114 1.764 4.964 1.00 54.44 H new ATOM 473 N ILE A 32 2.853 5.532 11.205 1.00 44.14 N ATOM 474 CA ILE A 32 1.402 5.661 11.167 1.00 30.21 C ATOM 475 C ILE A 32 0.941 6.308 9.866 1.00 51.52 C ATOM 476 O ILE A 32 1.623 7.172 9.315 1.00 52.21 O ATOM 477 CB ILE A 32 0.880 6.492 12.354 1.00 33.41 C ATOM 478 CG1 ILE A 32 1.187 5.783 13.675 1.00 4.41 C ATOM 479 CG2 ILE A 32 -0.615 6.735 12.213 1.00 14.10 C ATOM 480 CD1 ILE A 32 1.737 6.705 14.741 1.00 2.11 C ATOM 0 H ILE A 32 3.343 6.373 11.508 1.00 44.14 H new ATOM 0 HA ILE A 32 0.994 4.652 11.232 1.00 30.21 H new ATOM 0 HB ILE A 32 1.387 7.457 12.354 1.00 33.41 H new ATOM 0 HG12 ILE A 32 0.276 5.314 14.047 1.00 4.41 H new ATOM 0 HG13 ILE A 32 1.905 4.984 13.491 1.00 4.41 H new ATOM 0 HG21 ILE A 32 -0.969 7.324 13.059 1.00 14.10 H new ATOM 0 HG22 ILE A 32 -0.810 7.277 11.287 1.00 14.10 H new ATOM 0 HG23 ILE A 32 -1.139 5.779 12.191 1.00 14.10 H new ATOM 0 HD11 ILE A 32 1.932 6.135 15.650 1.00 2.11 H new ATOM 0 HD12 ILE A 32 2.665 7.155 14.389 1.00 2.11 H new ATOM 0 HD13 ILE A 32 1.011 7.490 14.953 1.00 2.11 H new ATOM 492 N ALA A 33 -0.222 5.886 9.381 1.00 51.23 N ATOM 493 CA ALA A 33 -0.777 6.428 8.146 1.00 23.43 C ATOM 494 C ALA A 33 -1.099 7.911 8.294 1.00 74.34 C ATOM 495 O ALA A 33 -1.450 8.375 9.379 1.00 62.33 O ATOM 496 CB ALA A 33 -2.022 5.652 7.742 1.00 1.14 C ATOM 0 H ALA A 33 -0.798 5.171 9.824 1.00 51.23 H new ATOM 0 HA ALA A 33 -0.027 6.323 7.362 1.00 23.43 H new ATOM 0 HB1 ALA A 33 -2.426 6.067 6.819 1.00 1.14 H new ATOM 0 HB2 ALA A 33 -1.763 4.605 7.586 1.00 1.14 H new ATOM 0 HB3 ALA A 33 -2.770 5.728 8.531 1.00 1.14 H new ATOM 502 N ASP A 34 -0.978 8.649 7.196 1.00 13.41 N ATOM 503 CA ASP A 34 -1.258 10.081 7.203 1.00 24.32 C ATOM 504 C ASP A 34 -2.700 10.351 7.619 1.00 32.23 C ATOM 505 O ASP A 34 -3.044 11.463 8.018 1.00 72.32 O ATOM 506 CB ASP A 34 -0.991 10.681 5.822 1.00 72.22 C ATOM 507 CG ASP A 34 -0.525 12.121 5.897 1.00 51.54 C ATOM 508 OD1 ASP A 34 -0.920 12.824 6.850 1.00 31.35 O ATOM 509 OD2 ASP A 34 0.234 12.547 5.001 1.00 41.13 O ATOM 0 H ASP A 34 -0.688 8.280 6.290 1.00 13.41 H new ATOM 0 HA ASP A 34 -0.596 10.552 7.929 1.00 24.32 H new ATOM 0 HB2 ASP A 34 -0.236 10.084 5.310 1.00 72.22 H new ATOM 0 HB3 ASP A 34 -1.900 10.627 5.224 1.00 72.22 H new ATOM 514 N GLY A 35 -3.541 9.325 7.522 1.00 2.15 N ATOM 515 CA GLY A 35 -4.937 9.473 7.891 1.00 23.30 C ATOM 516 C GLY A 35 -5.212 9.021 9.311 1.00 32.24 C ATOM 517 O GLY A 35 -6.368 8.883 9.713 1.00 21.12 O ATOM 0 H GLY A 35 -3.280 8.395 7.195 1.00 2.15 H new ATOM 0 HA2 GLY A 35 -5.230 10.517 7.782 1.00 23.30 H new ATOM 0 HA3 GLY A 35 -5.555 8.896 7.203 1.00 23.30 H new ATOM 521 N TYR A 36 -4.149 8.788 10.073 1.00 12.11 N ATOM 522 CA TYR A 36 -4.282 8.345 11.456 1.00 61.22 C ATOM 523 C TYR A 36 -3.289 9.071 12.358 1.00 13.24 C ATOM 524 O TYR A 36 -2.277 9.595 11.892 1.00 31.24 O ATOM 525 CB TYR A 36 -4.065 6.834 11.552 1.00 23.20 C ATOM 526 CG TYR A 36 -5.207 6.021 10.986 1.00 22.50 C ATOM 527 CD1 TYR A 36 -6.481 6.099 11.535 1.00 42.44 C ATOM 528 CD2 TYR A 36 -5.012 5.174 9.902 1.00 62.24 C ATOM 529 CE1 TYR A 36 -7.527 5.358 11.021 1.00 22.40 C ATOM 530 CE2 TYR A 36 -6.052 4.429 9.381 1.00 54.35 C ATOM 531 CZ TYR A 36 -7.308 4.524 9.944 1.00 42.30 C ATOM 532 OH TYR A 36 -8.347 3.785 9.429 1.00 75.24 O ATOM 0 H TYR A 36 -3.186 8.899 9.756 1.00 12.11 H new ATOM 0 HA TYR A 36 -5.291 8.583 11.792 1.00 61.22 H new ATOM 0 HB2 TYR A 36 -3.148 6.573 11.024 1.00 23.20 H new ATOM 0 HB3 TYR A 36 -3.920 6.562 12.597 1.00 23.20 H new ATOM 0 HD1 TYR A 36 -6.656 6.750 12.378 1.00 42.44 H new ATOM 0 HD2 TYR A 36 -4.030 5.097 9.459 1.00 62.24 H new ATOM 0 HE1 TYR A 36 -8.511 5.431 11.460 1.00 22.40 H new ATOM 0 HE2 TYR A 36 -5.883 3.776 8.538 1.00 54.35 H new ATOM 0 HH TYR A 36 -8.022 3.239 8.683 1.00 75.24 H new ATOM 542 N TYR A 37 -3.587 9.098 13.653 1.00 62.33 N ATOM 543 CA TYR A 37 -2.723 9.761 14.622 1.00 22.21 C ATOM 544 C TYR A 37 -2.896 9.153 16.011 1.00 44.51 C ATOM 545 O TYR A 37 -4.016 8.912 16.460 1.00 3.50 O ATOM 546 CB TYR A 37 -3.027 11.259 14.667 1.00 13.10 C ATOM 547 CG TYR A 37 -4.425 11.579 15.146 1.00 33.10 C ATOM 548 CD1 TYR A 37 -4.700 11.724 16.500 1.00 34.54 C ATOM 549 CD2 TYR A 37 -5.471 11.735 14.245 1.00 50.41 C ATOM 550 CE1 TYR A 37 -5.976 12.015 16.943 1.00 73.01 C ATOM 551 CE2 TYR A 37 -6.750 12.028 14.678 1.00 4.32 C ATOM 552 CZ TYR A 37 -6.997 12.167 16.028 1.00 73.10 C ATOM 553 OH TYR A 37 -8.270 12.457 16.464 1.00 42.33 O ATOM 0 H TYR A 37 -4.420 8.668 14.055 1.00 62.33 H new ATOM 0 HA TYR A 37 -1.689 9.617 14.308 1.00 22.21 H new ATOM 0 HB2 TYR A 37 -2.307 11.748 15.323 1.00 13.10 H new ATOM 0 HB3 TYR A 37 -2.888 11.679 13.671 1.00 13.10 H new ATOM 0 HD1 TYR A 37 -3.903 11.607 17.219 1.00 34.54 H new ATOM 0 HD2 TYR A 37 -5.281 11.625 13.188 1.00 50.41 H new ATOM 0 HE1 TYR A 37 -6.173 12.123 17.999 1.00 73.01 H new ATOM 0 HE2 TYR A 37 -7.551 12.147 13.964 1.00 4.32 H new ATOM 0 HH TYR A 37 -8.813 12.764 15.708 1.00 42.33 H new ATOM 563 N MET A 38 -1.777 8.909 16.686 1.00 12.41 N ATOM 564 CA MET A 38 -1.804 8.332 18.025 1.00 61.11 C ATOM 565 C MET A 38 -1.286 9.329 19.057 1.00 32.42 C ATOM 566 O MET A 38 -0.322 10.052 18.806 1.00 0.15 O ATOM 567 CB MET A 38 -0.966 7.053 18.069 1.00 64.13 C ATOM 568 CG MET A 38 -1.790 5.782 17.943 1.00 24.32 C ATOM 569 SD MET A 38 -1.038 4.573 16.836 1.00 53.43 S ATOM 570 CE MET A 38 -2.321 3.325 16.777 1.00 61.41 C ATOM 0 H MET A 38 -0.842 9.102 16.328 1.00 12.41 H new ATOM 0 HA MET A 38 -2.838 8.089 18.268 1.00 61.11 H new ATOM 0 HB2 MET A 38 -0.232 7.082 17.264 1.00 64.13 H new ATOM 0 HB3 MET A 38 -0.410 7.025 19.006 1.00 64.13 H new ATOM 0 HG2 MET A 38 -1.916 5.336 18.930 1.00 24.32 H new ATOM 0 HG3 MET A 38 -2.785 6.034 17.577 1.00 24.32 H new ATOM 0 HE1 MET A 38 -1.945 2.440 16.263 1.00 61.41 H new ATOM 0 HE2 MET A 38 -2.615 3.058 17.792 1.00 61.41 H new ATOM 0 HE3 MET A 38 -3.185 3.716 16.240 1.00 61.41 H new ATOM 580 N TYR A 39 -1.932 9.361 20.217 1.00 14.22 N ATOM 581 CA TYR A 39 -1.539 10.271 21.286 1.00 4.22 C ATOM 582 C TYR A 39 -0.314 9.744 22.027 1.00 22.32 C ATOM 583 O TYR A 39 -0.315 8.619 22.527 1.00 1.34 O ATOM 584 CB TYR A 39 -2.695 10.470 22.267 1.00 14.21 C ATOM 585 CG TYR A 39 -4.037 10.649 21.593 1.00 61.20 C ATOM 586 CD1 TYR A 39 -4.456 11.900 21.157 1.00 71.20 C ATOM 587 CD2 TYR A 39 -4.886 9.567 21.393 1.00 43.21 C ATOM 588 CE1 TYR A 39 -5.681 12.068 20.541 1.00 13.12 C ATOM 589 CE2 TYR A 39 -6.112 9.726 20.777 1.00 62.22 C ATOM 590 CZ TYR A 39 -6.505 10.978 20.353 1.00 53.10 C ATOM 591 OH TYR A 39 -7.727 11.140 19.740 1.00 4.51 O ATOM 0 H TYR A 39 -2.730 8.767 20.441 1.00 14.22 H new ATOM 0 HA TYR A 39 -1.285 11.230 20.836 1.00 4.22 H new ATOM 0 HB2 TYR A 39 -2.745 9.610 22.935 1.00 14.21 H new ATOM 0 HB3 TYR A 39 -2.489 11.343 22.886 1.00 14.21 H new ATOM 0 HD1 TYR A 39 -3.813 12.756 21.302 1.00 71.20 H new ATOM 0 HD2 TYR A 39 -4.582 8.585 21.725 1.00 43.21 H new ATOM 0 HE1 TYR A 39 -5.992 13.047 20.208 1.00 13.12 H new ATOM 0 HE2 TYR A 39 -6.759 8.874 20.628 1.00 62.22 H new ATOM 0 HH TYR A 39 -8.182 10.274 19.684 1.00 4.51 H new ATOM 601 N GLN A 40 0.729 10.565 22.093 1.00 40.10 N ATOM 602 CA GLN A 40 1.961 10.182 22.773 1.00 71.14 C ATOM 603 C GLN A 40 1.668 9.649 24.171 1.00 11.23 C ATOM 604 O GLN A 40 2.312 8.709 24.635 1.00 31.22 O ATOM 605 CB GLN A 40 2.914 11.376 22.858 1.00 73.42 C ATOM 606 CG GLN A 40 4.367 10.980 23.062 1.00 43.33 C ATOM 607 CD GLN A 40 5.317 12.153 22.915 1.00 30.14 C ATOM 608 OE1 GLN A 40 5.887 12.376 21.847 1.00 75.23 O ATOM 609 NE2 GLN A 40 5.493 12.911 23.992 1.00 72.53 N ATOM 0 H GLN A 40 0.746 11.499 21.684 1.00 40.10 H new ATOM 0 HA GLN A 40 2.435 9.389 22.194 1.00 71.14 H new ATOM 0 HB2 GLN A 40 2.831 11.963 21.943 1.00 73.42 H new ATOM 0 HB3 GLN A 40 2.603 12.021 23.680 1.00 73.42 H new ATOM 0 HG2 GLN A 40 4.485 10.544 24.054 1.00 43.33 H new ATOM 0 HG3 GLN A 40 4.634 10.208 22.340 1.00 43.33 H new ATOM 0 HE21 GLN A 40 5.000 12.690 24.857 1.00 72.53 H new ATOM 0 HE22 GLN A 40 6.121 13.714 23.953 1.00 72.53 H new ATOM 618 N ALA A 41 0.692 10.257 24.838 1.00 4.23 N ATOM 619 CA ALA A 41 0.313 9.843 26.183 1.00 23.14 C ATOM 620 C ALA A 41 -0.403 8.497 26.162 1.00 72.12 C ATOM 621 O ALA A 41 -0.269 7.695 27.086 1.00 4.13 O ATOM 622 CB ALA A 41 -0.566 10.901 26.833 1.00 32.23 C ATOM 0 H ALA A 41 0.150 11.038 24.468 1.00 4.23 H new ATOM 0 HA ALA A 41 1.223 9.731 26.772 1.00 23.14 H new ATOM 0 HB1 ALA A 41 -0.841 10.578 27.837 1.00 32.23 H new ATOM 0 HB2 ALA A 41 -0.020 11.842 26.891 1.00 32.23 H new ATOM 0 HB3 ALA A 41 -1.468 11.041 26.237 1.00 32.23 H new ATOM 628 N LYS A 42 -1.166 8.255 25.101 1.00 21.11 N ATOM 629 CA LYS A 42 -1.904 7.006 24.958 1.00 71.32 C ATOM 630 C LYS A 42 -0.974 5.868 24.550 1.00 23.45 C ATOM 631 O LYS A 42 -1.159 4.723 24.966 1.00 53.35 O ATOM 632 CB LYS A 42 -3.018 7.164 23.921 1.00 73.23 C ATOM 633 CG LYS A 42 -4.184 8.009 24.404 1.00 3.52 C ATOM 634 CD LYS A 42 -4.836 7.407 25.637 1.00 74.21 C ATOM 635 CE LYS A 42 -6.219 7.994 25.879 1.00 64.30 C ATOM 636 NZ LYS A 42 -6.156 9.447 26.197 1.00 11.04 N ATOM 0 H LYS A 42 -1.289 8.908 24.327 1.00 21.11 H new ATOM 0 HA LYS A 42 -2.346 6.762 25.924 1.00 71.32 H new ATOM 0 HB2 LYS A 42 -2.602 7.615 23.020 1.00 73.23 H new ATOM 0 HB3 LYS A 42 -3.387 6.177 23.643 1.00 73.23 H new ATOM 0 HG2 LYS A 42 -3.835 9.016 24.631 1.00 3.52 H new ATOM 0 HG3 LYS A 42 -4.923 8.100 23.608 1.00 3.52 H new ATOM 0 HD2 LYS A 42 -4.914 6.326 25.518 1.00 74.21 H new ATOM 0 HD3 LYS A 42 -4.206 7.587 26.508 1.00 74.21 H new ATOM 0 HE2 LYS A 42 -6.838 7.842 24.995 1.00 64.30 H new ATOM 0 HE3 LYS A 42 -6.700 7.463 26.700 1.00 64.30 H new ATOM 0 HZ1 LYS A 42 -7.114 9.802 26.389 1.00 11.04 H new ATOM 0 HZ2 LYS A 42 -5.559 9.593 27.036 1.00 11.04 H new ATOM 0 HZ3 LYS A 42 -5.751 9.962 25.389 1.00 11.04 H new ATOM 650 N ILE A 43 0.027 6.190 23.738 1.00 71.32 N ATOM 651 CA ILE A 43 0.987 5.194 23.277 1.00 1.35 C ATOM 652 C ILE A 43 1.817 4.654 24.437 1.00 62.22 C ATOM 653 O ILE A 43 2.177 5.392 25.354 1.00 45.12 O ATOM 654 CB ILE A 43 1.933 5.776 22.211 1.00 43.04 C ATOM 655 CG1 ILE A 43 1.134 6.267 21.002 1.00 41.21 C ATOM 656 CG2 ILE A 43 2.958 4.734 21.787 1.00 2.41 C ATOM 657 CD1 ILE A 43 1.745 7.473 20.323 1.00 11.12 C ATOM 0 H ILE A 43 0.195 7.132 23.386 1.00 71.32 H new ATOM 0 HA ILE A 43 0.411 4.381 22.835 1.00 1.35 H new ATOM 0 HB ILE A 43 2.463 6.625 22.642 1.00 43.04 H new ATOM 0 HG12 ILE A 43 1.051 5.456 20.278 1.00 41.21 H new ATOM 0 HG13 ILE A 43 0.122 6.514 21.322 1.00 41.21 H new ATOM 0 HG21 ILE A 43 3.620 5.160 21.033 1.00 2.41 H new ATOM 0 HG22 ILE A 43 3.545 4.427 22.653 1.00 2.41 H new ATOM 0 HG23 ILE A 43 2.445 3.867 21.371 1.00 2.41 H new ATOM 0 HD11 ILE A 43 1.126 7.766 19.475 1.00 11.12 H new ATOM 0 HD12 ILE A 43 1.803 8.299 21.032 1.00 11.12 H new ATOM 0 HD13 ILE A 43 2.747 7.224 19.972 1.00 11.12 H new ATOM 669 N VAL A 44 2.119 3.360 24.389 1.00 43.22 N ATOM 670 CA VAL A 44 2.910 2.720 25.433 1.00 0.44 C ATOM 671 C VAL A 44 3.968 1.800 24.836 1.00 61.23 C ATOM 672 O VAL A 44 3.765 1.210 23.775 1.00 23.14 O ATOM 673 CB VAL A 44 2.020 1.907 26.392 1.00 2.33 C ATOM 674 CG1 VAL A 44 2.782 1.558 27.661 1.00 5.14 C ATOM 675 CG2 VAL A 44 0.748 2.676 26.719 1.00 64.53 C ATOM 0 H VAL A 44 1.828 2.735 23.638 1.00 43.22 H new ATOM 0 HA VAL A 44 3.400 3.517 25.992 1.00 0.44 H new ATOM 0 HB VAL A 44 1.739 0.977 25.898 1.00 2.33 H new ATOM 0 HG11 VAL A 44 2.137 0.984 28.326 1.00 5.14 H new ATOM 0 HG12 VAL A 44 3.661 0.965 27.406 1.00 5.14 H new ATOM 0 HG13 VAL A 44 3.095 2.475 28.161 1.00 5.14 H new ATOM 0 HG21 VAL A 44 0.131 2.087 27.398 1.00 64.53 H new ATOM 0 HG22 VAL A 44 1.007 3.623 27.193 1.00 64.53 H new ATOM 0 HG23 VAL A 44 0.194 2.870 25.801 1.00 64.53 H new ATOM 685 N GLY A 45 5.099 1.681 25.525 1.00 41.23 N ATOM 686 CA GLY A 45 6.173 0.830 25.047 1.00 41.23 C ATOM 687 C GLY A 45 7.271 0.649 26.076 1.00 60.00 C ATOM 688 O GLY A 45 8.005 1.588 26.384 1.00 1.12 O ATOM 0 H GLY A 45 5.291 2.159 26.406 1.00 41.23 H new ATOM 0 HA2 GLY A 45 5.767 -0.145 24.778 1.00 41.23 H new ATOM 0 HA3 GLY A 45 6.597 1.260 24.140 1.00 41.23 H new ATOM 692 N LYS A 46 7.384 -0.562 26.611 1.00 11.13 N ATOM 693 CA LYS A 46 8.400 -0.865 27.613 1.00 54.44 C ATOM 694 C LYS A 46 9.011 -2.240 27.369 1.00 62.55 C ATOM 695 O LYS A 46 8.300 -3.209 27.099 1.00 60.03 O ATOM 696 CB LYS A 46 7.794 -0.806 29.017 1.00 43.30 C ATOM 697 CG LYS A 46 7.101 -2.091 29.435 1.00 51.22 C ATOM 698 CD LYS A 46 8.041 -3.010 30.196 1.00 5.22 C ATOM 699 CE LYS A 46 7.947 -4.443 29.696 1.00 51.04 C ATOM 700 NZ LYS A 46 7.547 -5.383 30.779 1.00 73.43 N ATOM 0 H LYS A 46 6.784 -1.350 26.367 1.00 11.13 H new ATOM 0 HA LYS A 46 9.189 -0.117 27.533 1.00 54.44 H new ATOM 0 HB2 LYS A 46 8.582 -0.578 29.735 1.00 43.30 H new ATOM 0 HB3 LYS A 46 7.077 0.014 29.060 1.00 43.30 H new ATOM 0 HG2 LYS A 46 6.239 -1.854 30.058 1.00 51.22 H new ATOM 0 HG3 LYS A 46 6.724 -2.606 28.551 1.00 51.22 H new ATOM 0 HD2 LYS A 46 9.065 -2.653 30.090 1.00 5.22 H new ATOM 0 HD3 LYS A 46 7.801 -2.978 31.259 1.00 5.22 H new ATOM 0 HE2 LYS A 46 7.223 -4.497 28.883 1.00 51.04 H new ATOM 0 HE3 LYS A 46 8.910 -4.749 29.287 1.00 51.04 H new ATOM 0 HZ1 LYS A 46 7.346 -6.318 30.370 1.00 73.43 H new ATOM 0 HZ2 LYS A 46 8.320 -5.466 31.470 1.00 73.43 H new ATOM 0 HZ3 LYS A 46 6.695 -5.023 31.254 1.00 73.43 H new ATOM 714 N THR A 47 10.335 -2.321 27.466 1.00 13.23 N ATOM 715 CA THR A 47 11.042 -3.578 27.257 1.00 53.25 C ATOM 716 C THR A 47 12.051 -3.833 28.370 1.00 61.32 C ATOM 717 O THR A 47 12.912 -2.998 28.643 1.00 64.41 O ATOM 718 CB THR A 47 11.774 -3.591 25.902 1.00 44.13 C ATOM 719 OG1 THR A 47 12.451 -4.840 25.723 1.00 44.00 O ATOM 720 CG2 THR A 47 12.776 -2.449 25.817 1.00 12.10 C ATOM 0 H THR A 47 10.939 -1.530 27.688 1.00 13.23 H new ATOM 0 HA THR A 47 10.291 -4.368 27.264 1.00 53.25 H new ATOM 0 HB THR A 47 11.033 -3.463 25.113 1.00 44.13 H new ATOM 0 HG1 THR A 47 13.298 -4.827 26.216 1.00 44.00 H new ATOM 0 HG21 THR A 47 13.281 -2.479 24.851 1.00 12.10 H new ATOM 0 HG22 THR A 47 12.254 -1.498 25.925 1.00 12.10 H new ATOM 0 HG23 THR A 47 13.512 -2.551 26.614 1.00 12.10 H new ATOM 728 N ASN A 48 11.939 -4.993 29.009 1.00 21.12 N ATOM 729 CA ASN A 48 12.843 -5.358 30.094 1.00 62.43 C ATOM 730 C ASN A 48 12.528 -6.757 30.617 1.00 43.42 C ATOM 731 O ASN A 48 11.428 -7.280 30.438 1.00 23.03 O ATOM 732 CB ASN A 48 12.744 -4.341 31.233 1.00 62.45 C ATOM 733 CG ASN A 48 11.314 -3.919 31.508 1.00 31.41 C ATOM 734 OD1 ASN A 48 10.372 -4.667 31.244 1.00 25.52 O ATOM 735 ND2 ASN A 48 11.145 -2.715 32.041 1.00 31.04 N ATOM 0 H ASN A 48 11.232 -5.696 28.795 1.00 21.12 H new ATOM 0 HA ASN A 48 13.860 -5.356 29.702 1.00 62.43 H new ATOM 0 HB2 ASN A 48 13.174 -4.770 32.138 1.00 62.45 H new ATOM 0 HB3 ASN A 48 13.338 -3.462 30.984 1.00 62.45 H new ATOM 0 HD21 ASN A 48 10.205 -2.376 32.248 1.00 31.04 H new ATOM 0 HD22 ASN A 48 11.955 -2.129 32.243 1.00 31.04 H new ATOM 742 N PRO A 49 13.516 -7.377 31.279 1.00 0.11 N ATOM 743 CA PRO A 49 13.368 -8.722 31.843 1.00 43.01 C ATOM 744 C PRO A 49 12.419 -8.750 33.036 1.00 55.55 C ATOM 745 O PRO A 49 11.626 -9.678 33.188 1.00 32.33 O ATOM 746 CB PRO A 49 14.790 -9.080 32.283 1.00 71.31 C ATOM 747 CG PRO A 49 15.454 -7.769 32.522 1.00 4.51 C ATOM 748 CD PRO A 49 14.853 -6.813 31.529 1.00 10.43 C ATOM 0 HA PRO A 49 12.940 -9.420 31.124 1.00 43.01 H new ATOM 0 HB2 PRO A 49 14.783 -9.691 33.186 1.00 71.31 H new ATOM 0 HB3 PRO A 49 15.310 -9.653 31.515 1.00 71.31 H new ATOM 0 HG2 PRO A 49 15.286 -7.427 33.543 1.00 4.51 H new ATOM 0 HG3 PRO A 49 16.533 -7.847 32.385 1.00 4.51 H new ATOM 0 HD2 PRO A 49 14.794 -5.801 31.930 1.00 10.43 H new ATOM 0 HD3 PRO A 49 15.444 -6.759 30.615 1.00 10.43 H new ATOM 756 N ALA A 50 12.504 -7.725 33.878 1.00 21.31 N ATOM 757 CA ALA A 50 11.650 -7.631 35.056 1.00 63.43 C ATOM 758 C ALA A 50 11.651 -6.216 35.623 1.00 51.12 C ATOM 759 O ALA A 50 11.993 -6.003 36.786 1.00 33.23 O ATOM 760 CB ALA A 50 12.101 -8.627 36.115 1.00 53.42 C ATOM 0 H ALA A 50 13.156 -6.948 33.766 1.00 21.31 H new ATOM 0 HA ALA A 50 10.630 -7.873 34.756 1.00 63.43 H new ATOM 0 HB1 ALA A 50 11.455 -8.546 36.989 1.00 53.42 H new ATOM 0 HB2 ALA A 50 12.042 -9.638 35.712 1.00 53.42 H new ATOM 0 HB3 ALA A 50 13.130 -8.411 36.403 1.00 53.42 H new ATOM 766 N ASP A 51 11.267 -5.251 34.794 1.00 70.51 N ATOM 767 CA ASP A 51 11.223 -3.855 35.213 1.00 30.42 C ATOM 768 C ASP A 51 12.625 -3.333 35.510 1.00 0.30 C ATOM 769 O ASP A 51 12.823 -2.550 36.440 1.00 43.41 O ATOM 770 CB ASP A 51 10.335 -3.700 36.449 1.00 51.43 C ATOM 771 CG ASP A 51 9.433 -2.484 36.363 1.00 35.35 C ATOM 772 OD1 ASP A 51 9.933 -1.398 36.005 1.00 22.12 O ATOM 773 OD2 ASP A 51 8.226 -2.619 36.656 1.00 73.31 O ATOM 0 H ASP A 51 10.982 -5.410 33.828 1.00 70.51 H new ATOM 0 HA ASP A 51 10.802 -3.269 34.396 1.00 30.42 H new ATOM 0 HB2 ASP A 51 9.724 -4.595 36.569 1.00 51.43 H new ATOM 0 HB3 ASP A 51 10.963 -3.622 37.337 1.00 51.43 H new ATOM 778 N LEU A 52 13.595 -3.771 34.715 1.00 31.53 N ATOM 779 CA LEU A 52 14.980 -3.349 34.893 1.00 12.21 C ATOM 780 C LEU A 52 15.271 -2.086 34.089 1.00 1.32 C ATOM 781 O LEU A 52 15.973 -1.188 34.556 1.00 3.20 O ATOM 782 CB LEU A 52 15.933 -4.468 34.470 1.00 4.50 C ATOM 783 CG LEU A 52 16.160 -5.580 35.495 1.00 53.24 C ATOM 784 CD1 LEU A 52 16.938 -5.054 36.690 1.00 2.44 C ATOM 785 CD2 LEU A 52 14.831 -6.173 35.940 1.00 21.10 C ATOM 0 H LEU A 52 13.448 -4.418 33.941 1.00 31.53 H new ATOM 0 HA LEU A 52 15.135 -3.129 35.949 1.00 12.21 H new ATOM 0 HB2 LEU A 52 15.549 -4.918 33.554 1.00 4.50 H new ATOM 0 HB3 LEU A 52 16.898 -4.023 34.226 1.00 4.50 H new ATOM 0 HG LEU A 52 16.748 -6.368 35.024 1.00 53.24 H new ATOM 0 HD11 LEU A 52 17.090 -5.859 37.409 1.00 2.44 H new ATOM 0 HD12 LEU A 52 17.905 -4.677 36.357 1.00 2.44 H new ATOM 0 HD13 LEU A 52 16.378 -4.247 37.162 1.00 2.44 H new ATOM 0 HD21 LEU A 52 15.011 -6.963 36.669 1.00 21.10 H new ATOM 0 HD22 LEU A 52 14.218 -5.394 36.393 1.00 21.10 H new ATOM 0 HD23 LEU A 52 14.311 -6.588 35.077 1.00 21.10 H new ATOM 797 N LEU A 53 14.726 -2.022 32.880 1.00 53.34 N ATOM 798 CA LEU A 53 14.925 -0.867 32.011 1.00 51.04 C ATOM 799 C LEU A 53 14.584 0.429 32.740 1.00 72.41 C ATOM 800 O LEU A 53 13.690 0.460 33.585 1.00 5.51 O ATOM 801 CB LEU A 53 14.067 -0.998 30.751 1.00 13.31 C ATOM 802 CG LEU A 53 14.181 0.143 29.740 1.00 50.34 C ATOM 803 CD1 LEU A 53 15.106 -0.247 28.597 1.00 2.54 C ATOM 804 CD2 LEU A 53 12.807 0.525 29.209 1.00 52.03 C ATOM 0 H LEU A 53 14.143 -2.756 32.479 1.00 53.34 H new ATOM 0 HA LEU A 53 15.976 -0.835 31.726 1.00 51.04 H new ATOM 0 HB2 LEU A 53 14.333 -1.929 30.250 1.00 13.31 H new ATOM 0 HB3 LEU A 53 13.024 -1.086 31.054 1.00 13.31 H new ATOM 0 HG LEU A 53 14.607 1.009 30.246 1.00 50.34 H new ATOM 0 HD11 LEU A 53 15.175 0.577 27.887 1.00 2.54 H new ATOM 0 HD12 LEU A 53 16.097 -0.470 28.991 1.00 2.54 H new ATOM 0 HD13 LEU A 53 14.709 -1.128 28.092 1.00 2.54 H new ATOM 0 HD21 LEU A 53 12.908 1.339 28.491 1.00 52.03 H new ATOM 0 HD22 LEU A 53 12.354 -0.337 28.720 1.00 52.03 H new ATOM 0 HD23 LEU A 53 12.174 0.847 30.036 1.00 52.03 H new ATOM 816 N GLY A 54 15.301 1.497 32.405 1.00 61.11 N ATOM 817 CA GLY A 54 15.058 2.781 33.036 1.00 41.14 C ATOM 818 C GLY A 54 13.699 3.352 32.684 1.00 73.12 C ATOM 819 O GLY A 54 12.684 2.946 33.249 1.00 13.42 O ATOM 0 H GLY A 54 16.046 1.496 31.708 1.00 61.11 H new ATOM 0 HA2 GLY A 54 15.133 2.671 34.118 1.00 41.14 H new ATOM 0 HA3 GLY A 54 15.834 3.484 32.733 1.00 41.14 H new ATOM 823 N GLN A 55 13.679 4.296 31.749 1.00 42.42 N ATOM 824 CA GLN A 55 12.434 4.925 31.325 1.00 52.22 C ATOM 825 C GLN A 55 12.415 5.132 29.814 1.00 63.01 C ATOM 826 O GLN A 55 13.456 5.199 29.159 1.00 31.02 O ATOM 827 CB GLN A 55 12.246 6.266 32.037 1.00 23.33 C ATOM 828 CG GLN A 55 13.511 7.107 32.093 1.00 40.32 C ATOM 829 CD GLN A 55 13.226 8.594 32.019 1.00 1.51 C ATOM 830 OE1 GLN A 55 13.357 9.313 33.010 1.00 1.23 O ATOM 831 NE2 GLN A 55 12.834 9.065 30.841 1.00 60.32 N ATOM 0 H GLN A 55 14.511 4.642 31.271 1.00 42.42 H new ATOM 0 HA GLN A 55 11.612 4.261 31.593 1.00 52.22 H new ATOM 0 HB2 GLN A 55 11.466 6.832 31.528 1.00 23.33 H new ATOM 0 HB3 GLN A 55 11.896 6.083 33.053 1.00 23.33 H new ATOM 0 HG2 GLN A 55 14.047 6.889 33.017 1.00 40.32 H new ATOM 0 HG3 GLN A 55 14.167 6.825 31.269 1.00 40.32 H new ATOM 0 HE21 GLN A 55 12.739 8.434 30.046 1.00 60.32 H new ATOM 0 HE22 GLN A 55 12.628 10.058 30.732 1.00 60.32 H new ATOM 840 N PRO A 56 11.205 5.235 29.245 1.00 0.30 N ATOM 841 CA PRO A 56 11.022 5.436 27.805 1.00 51.24 C ATOM 842 C PRO A 56 11.461 6.825 27.352 1.00 21.34 C ATOM 843 O PRO A 56 11.428 7.780 28.128 1.00 21.22 O ATOM 844 CB PRO A 56 9.513 5.263 27.611 1.00 3.22 C ATOM 845 CG PRO A 56 8.920 5.606 28.934 1.00 41.40 C ATOM 846 CD PRO A 56 9.922 5.165 29.964 1.00 21.44 C ATOM 0 HA PRO A 56 11.624 4.742 27.218 1.00 51.24 H new ATOM 0 HB2 PRO A 56 9.137 5.919 26.826 1.00 3.22 H new ATOM 0 HB3 PRO A 56 9.266 4.242 27.319 1.00 3.22 H new ATOM 0 HG2 PRO A 56 8.728 6.676 29.010 1.00 41.40 H new ATOM 0 HG3 PRO A 56 7.965 5.100 29.077 1.00 41.40 H new ATOM 0 HD2 PRO A 56 9.915 5.818 30.837 1.00 21.44 H new ATOM 0 HD3 PRO A 56 9.715 4.155 30.319 1.00 21.44 H new ATOM 854 N SER A 57 11.872 6.929 26.093 1.00 52.54 N ATOM 855 CA SER A 57 12.321 8.201 25.538 1.00 11.23 C ATOM 856 C SER A 57 11.669 8.464 24.184 1.00 12.34 C ATOM 857 O SER A 57 12.248 8.177 23.137 1.00 63.22 O ATOM 858 CB SER A 57 13.844 8.209 25.394 1.00 50.33 C ATOM 859 OG SER A 57 14.462 8.769 26.539 1.00 1.14 O ATOM 0 H SER A 57 11.904 6.148 25.437 1.00 52.54 H new ATOM 0 HA SER A 57 12.024 8.994 26.224 1.00 11.23 H new ATOM 0 HB2 SER A 57 14.203 7.191 25.244 1.00 50.33 H new ATOM 0 HB3 SER A 57 14.126 8.780 24.509 1.00 50.33 H new ATOM 0 HG SER A 57 15.435 8.761 26.423 1.00 1.14 H new ATOM 865 N PHE A 58 10.459 9.013 24.214 1.00 32.02 N ATOM 866 CA PHE A 58 9.726 9.315 22.990 1.00 33.42 C ATOM 867 C PHE A 58 10.581 10.139 22.033 1.00 3.30 C ATOM 868 O PHE A 58 11.451 10.899 22.459 1.00 64.24 O ATOM 869 CB PHE A 58 8.435 10.068 23.316 1.00 14.14 C ATOM 870 CG PHE A 58 7.614 9.414 24.391 1.00 1.32 C ATOM 871 CD1 PHE A 58 7.597 8.035 24.526 1.00 40.32 C ATOM 872 CD2 PHE A 58 6.860 10.178 25.267 1.00 3.52 C ATOM 873 CE1 PHE A 58 6.842 7.431 25.513 1.00 2.34 C ATOM 874 CE2 PHE A 58 6.104 9.580 26.257 1.00 32.02 C ATOM 875 CZ PHE A 58 6.096 8.204 26.381 1.00 53.51 C ATOM 0 H PHE A 58 9.965 9.258 25.072 1.00 32.02 H new ATOM 0 HA PHE A 58 9.475 8.372 22.504 1.00 33.42 H new ATOM 0 HB2 PHE A 58 8.684 11.082 23.627 1.00 14.14 H new ATOM 0 HB3 PHE A 58 7.834 10.151 22.411 1.00 14.14 H new ATOM 0 HD1 PHE A 58 8.181 7.425 23.852 1.00 40.32 H new ATOM 0 HD2 PHE A 58 6.863 11.254 25.175 1.00 3.52 H new ATOM 0 HE1 PHE A 58 6.835 6.355 25.606 1.00 2.34 H new ATOM 0 HE2 PHE A 58 5.520 10.187 26.933 1.00 32.02 H new ATOM 0 HZ PHE A 58 5.508 7.734 27.155 1.00 53.51 H new ATOM 885 N SER A 59 10.327 9.983 20.738 1.00 44.13 N ATOM 886 CA SER A 59 11.076 10.709 19.719 1.00 44.41 C ATOM 887 C SER A 59 10.474 12.091 19.484 1.00 41.23 C ATOM 888 O SER A 59 10.917 12.834 18.607 1.00 31.21 O ATOM 889 CB SER A 59 11.095 9.919 18.409 1.00 22.02 C ATOM 890 OG SER A 59 12.132 8.953 18.411 1.00 31.13 O ATOM 0 H SER A 59 9.608 9.360 20.369 1.00 44.13 H new ATOM 0 HA SER A 59 12.099 10.833 20.075 1.00 44.41 H new ATOM 0 HB2 SER A 59 10.134 9.425 18.264 1.00 22.02 H new ATOM 0 HB3 SER A 59 11.232 10.602 17.571 1.00 22.02 H new ATOM 0 HG SER A 59 11.845 8.166 18.920 1.00 31.13 H new ATOM 896 N LYS A 60 9.461 12.430 20.273 1.00 15.02 N ATOM 897 CA LYS A 60 8.796 13.722 20.154 1.00 1.40 C ATOM 898 C LYS A 60 8.056 13.833 18.825 1.00 44.43 C ATOM 899 O LYS A 60 8.545 13.377 17.792 1.00 54.34 O ATOM 900 CB LYS A 60 9.816 14.857 20.279 1.00 71.34 C ATOM 901 CG LYS A 60 9.619 15.719 21.514 1.00 61.44 C ATOM 902 CD LYS A 60 8.429 16.650 21.359 1.00 12.55 C ATOM 903 CE LYS A 60 7.577 16.680 22.619 1.00 3.14 C ATOM 904 NZ LYS A 60 8.123 17.622 23.636 1.00 64.51 N ATOM 0 H LYS A 60 9.082 11.827 21.003 1.00 15.02 H new ATOM 0 HA LYS A 60 8.069 13.804 20.962 1.00 1.40 H new ATOM 0 HB2 LYS A 60 10.819 14.432 20.299 1.00 71.34 H new ATOM 0 HB3 LYS A 60 9.755 15.488 19.392 1.00 71.34 H new ATOM 0 HG2 LYS A 60 9.472 15.080 22.385 1.00 61.44 H new ATOM 0 HG3 LYS A 60 10.519 16.305 21.697 1.00 61.44 H new ATOM 0 HD2 LYS A 60 8.780 17.657 21.132 1.00 12.55 H new ATOM 0 HD3 LYS A 60 7.820 16.327 20.515 1.00 12.55 H new ATOM 0 HE2 LYS A 60 6.559 16.973 22.362 1.00 3.14 H new ATOM 0 HE3 LYS A 60 7.522 15.678 23.044 1.00 3.14 H new ATOM 0 HZ1 LYS A 60 7.514 17.613 24.479 1.00 64.51 H new ATOM 0 HZ2 LYS A 60 9.085 17.328 23.900 1.00 64.51 H new ATOM 0 HZ3 LYS A 60 8.151 18.583 23.239 1.00 64.51 H new ATOM 918 N GLY A 61 6.876 14.444 18.858 1.00 13.15 N ATOM 919 CA GLY A 61 6.089 14.605 17.650 1.00 71.02 C ATOM 920 C GLY A 61 5.570 16.019 17.479 1.00 3.14 C ATOM 921 O GLY A 61 6.349 16.954 17.295 1.00 71.12 O ATOM 0 H GLY A 61 6.451 14.831 19.701 1.00 13.15 H new ATOM 0 HA2 GLY A 61 6.697 14.338 16.786 1.00 71.02 H new ATOM 0 HA3 GLY A 61 5.247 13.913 17.674 1.00 71.02 H new ATOM 925 N GLU A 62 4.252 16.176 17.540 1.00 74.41 N ATOM 926 CA GLU A 62 3.631 17.486 17.388 1.00 12.31 C ATOM 927 C GLU A 62 2.515 17.681 18.411 1.00 51.54 C ATOM 928 O GLU A 62 1.617 16.849 18.530 1.00 55.22 O ATOM 929 CB GLU A 62 3.075 17.651 15.972 1.00 34.12 C ATOM 930 CG GLU A 62 4.054 17.248 14.883 1.00 43.32 C ATOM 931 CD GLU A 62 3.685 17.817 13.527 1.00 53.04 C ATOM 932 OE1 GLU A 62 2.781 17.253 12.874 1.00 41.50 O ATOM 933 OE2 GLU A 62 4.298 18.825 13.118 1.00 65.42 O ATOM 0 H GLU A 62 3.594 15.412 17.694 1.00 74.41 H new ATOM 0 HA GLU A 62 4.395 18.244 17.561 1.00 12.31 H new ATOM 0 HB2 GLU A 62 2.169 17.052 15.874 1.00 34.12 H new ATOM 0 HB3 GLU A 62 2.787 18.692 15.823 1.00 34.12 H new ATOM 0 HG2 GLU A 62 5.054 17.587 15.155 1.00 43.32 H new ATOM 0 HG3 GLU A 62 4.092 16.161 14.818 1.00 43.32 H new ATOM 940 N GLU A 63 2.581 18.787 19.146 1.00 72.00 N ATOM 941 CA GLU A 63 1.577 19.091 20.159 1.00 21.52 C ATOM 942 C GLU A 63 0.327 19.692 19.524 1.00 51.04 C ATOM 943 O GLU A 63 0.412 20.598 18.695 1.00 43.34 O ATOM 944 CB GLU A 63 2.147 20.055 21.201 1.00 4.20 C ATOM 945 CG GLU A 63 2.467 19.395 22.532 1.00 71.24 C ATOM 946 CD GLU A 63 3.384 20.238 23.396 1.00 12.12 C ATOM 947 OE1 GLU A 63 4.231 20.961 22.832 1.00 64.04 O ATOM 948 OE2 GLU A 63 3.254 20.175 24.637 1.00 42.25 O ATOM 0 H GLU A 63 3.318 19.486 19.059 1.00 72.00 H new ATOM 0 HA GLU A 63 1.301 18.158 20.650 1.00 21.52 H new ATOM 0 HB2 GLU A 63 3.054 20.511 20.804 1.00 4.20 H new ATOM 0 HB3 GLU A 63 1.432 20.861 21.367 1.00 4.20 H new ATOM 0 HG2 GLU A 63 1.539 19.205 23.071 1.00 71.24 H new ATOM 0 HG3 GLU A 63 2.934 18.427 22.350 1.00 71.24 H new ATOM 955 N LYS A 64 -0.834 19.181 19.918 1.00 74.32 N ATOM 956 CA LYS A 64 -2.104 19.666 19.389 1.00 65.12 C ATOM 957 C LYS A 64 -3.193 19.614 20.455 1.00 71.50 C ATOM 958 O LYS A 64 -3.121 18.817 21.390 1.00 63.32 O ATOM 959 CB LYS A 64 -2.524 18.836 18.174 1.00 61.13 C ATOM 960 CG LYS A 64 -2.811 17.381 18.501 1.00 62.30 C ATOM 961 CD LYS A 64 -4.260 17.021 18.220 1.00 12.32 C ATOM 962 CE LYS A 64 -4.426 15.531 17.967 1.00 62.35 C ATOM 963 NZ LYS A 64 -4.123 15.172 16.553 1.00 31.44 N ATOM 0 H LYS A 64 -0.922 18.430 20.603 1.00 74.32 H new ATOM 0 HA LYS A 64 -1.969 20.704 19.083 1.00 65.12 H new ATOM 0 HB2 LYS A 64 -3.414 19.282 17.730 1.00 61.13 H new ATOM 0 HB3 LYS A 64 -1.735 18.882 17.423 1.00 61.13 H new ATOM 0 HG2 LYS A 64 -2.155 16.739 17.913 1.00 62.30 H new ATOM 0 HG3 LYS A 64 -2.585 17.192 19.550 1.00 62.30 H new ATOM 0 HD2 LYS A 64 -4.880 17.319 19.065 1.00 12.32 H new ATOM 0 HD3 LYS A 64 -4.613 17.580 17.353 1.00 12.32 H new ATOM 0 HE2 LYS A 64 -3.767 14.974 18.633 1.00 62.35 H new ATOM 0 HE3 LYS A 64 -5.447 15.233 18.207 1.00 62.35 H new ATOM 0 HZ1 LYS A 64 -4.081 14.137 16.459 1.00 31.44 H new ATOM 0 HZ2 LYS A 64 -4.869 15.546 15.932 1.00 31.44 H new ATOM 0 HZ3 LYS A 64 -3.207 15.582 16.279 1.00 31.44 H new ATOM 977 N GLU A 65 -4.202 20.467 20.306 1.00 22.35 N ATOM 978 CA GLU A 65 -5.306 20.516 21.257 1.00 32.34 C ATOM 979 C GLU A 65 -6.609 20.065 20.602 1.00 3.51 C ATOM 980 O GLU A 65 -6.966 20.533 19.521 1.00 53.50 O ATOM 981 CB GLU A 65 -5.466 21.932 21.815 1.00 62.41 C ATOM 982 CG GLU A 65 -4.146 22.610 22.140 1.00 43.33 C ATOM 983 CD GLU A 65 -3.539 23.310 20.939 1.00 2.43 C ATOM 984 OE1 GLU A 65 -4.169 24.258 20.425 1.00 1.30 O ATOM 985 OE2 GLU A 65 -2.435 22.911 20.514 1.00 21.22 O ATOM 0 H GLU A 65 -4.277 21.133 19.537 1.00 22.35 H new ATOM 0 HA GLU A 65 -5.076 19.835 22.076 1.00 32.34 H new ATOM 0 HB2 GLU A 65 -6.009 22.540 21.091 1.00 62.41 H new ATOM 0 HB3 GLU A 65 -6.076 21.891 22.717 1.00 62.41 H new ATOM 0 HG2 GLU A 65 -4.301 23.335 22.939 1.00 43.33 H new ATOM 0 HG3 GLU A 65 -3.443 21.867 22.517 1.00 43.33 H new ATOM 992 N ASP A 66 -7.313 19.154 21.264 1.00 2.12 N ATOM 993 CA ASP A 66 -8.576 18.640 20.748 1.00 41.15 C ATOM 994 C ASP A 66 -9.541 18.324 21.886 1.00 4.33 C ATOM 995 O ASP A 66 -9.305 18.701 23.034 1.00 62.32 O ATOM 996 CB ASP A 66 -8.335 17.387 19.905 1.00 65.13 C ATOM 997 CG ASP A 66 -9.203 17.348 18.663 1.00 52.12 C ATOM 998 OD1 ASP A 66 -8.989 18.186 17.763 1.00 45.43 O ATOM 999 OD2 ASP A 66 -10.099 16.480 18.591 1.00 5.14 O ATOM 0 H ASP A 66 -7.030 18.756 22.160 1.00 2.12 H new ATOM 0 HA ASP A 66 -9.023 19.411 20.120 1.00 41.15 H new ATOM 0 HB2 ASP A 66 -7.286 17.346 19.613 1.00 65.13 H new ATOM 0 HB3 ASP A 66 -8.532 16.502 20.510 1.00 65.13 H new ATOM 1004 N GLU A 67 -10.627 17.632 21.560 1.00 55.03 N ATOM 1005 CA GLU A 67 -11.628 17.268 22.556 1.00 74.13 C ATOM 1006 C GLU A 67 -11.586 15.771 22.848 1.00 64.21 C ATOM 1007 O GLU A 67 -12.295 15.278 23.725 1.00 74.43 O ATOM 1008 CB GLU A 67 -13.026 17.665 22.076 1.00 42.33 C ATOM 1009 CG GLU A 67 -13.301 17.293 20.628 1.00 10.15 C ATOM 1010 CD GLU A 67 -14.677 17.731 20.165 1.00 62.10 C ATOM 1011 OE1 GLU A 67 -15.315 18.535 20.876 1.00 71.30 O ATOM 1012 OE2 GLU A 67 -15.115 17.269 19.090 1.00 3.42 O ATOM 0 H GLU A 67 -10.837 17.312 20.614 1.00 55.03 H new ATOM 0 HA GLU A 67 -11.400 17.807 23.476 1.00 74.13 H new ATOM 0 HB2 GLU A 67 -13.769 17.186 22.713 1.00 42.33 H new ATOM 0 HB3 GLU A 67 -13.150 18.741 22.196 1.00 42.33 H new ATOM 0 HG2 GLU A 67 -12.545 17.749 19.990 1.00 10.15 H new ATOM 0 HG3 GLU A 67 -13.209 16.213 20.510 1.00 10.15 H new ATOM 1019 N PHE A 68 -10.748 15.053 22.107 1.00 74.15 N ATOM 1020 CA PHE A 68 -10.613 13.612 22.284 1.00 33.21 C ATOM 1021 C PHE A 68 -9.542 13.290 23.322 1.00 32.21 C ATOM 1022 O PHE A 68 -9.283 12.124 23.622 1.00 44.13 O ATOM 1023 CB PHE A 68 -10.267 12.943 20.952 1.00 24.25 C ATOM 1024 CG PHE A 68 -11.441 12.806 20.027 1.00 74.33 C ATOM 1025 CD1 PHE A 68 -12.145 13.924 19.609 1.00 34.23 C ATOM 1026 CD2 PHE A 68 -11.841 11.559 19.573 1.00 15.05 C ATOM 1027 CE1 PHE A 68 -13.227 13.800 18.758 1.00 12.21 C ATOM 1028 CE2 PHE A 68 -12.922 11.429 18.722 1.00 54.32 C ATOM 1029 CZ PHE A 68 -13.615 12.552 18.313 1.00 75.32 C ATOM 0 H PHE A 68 -10.152 15.446 21.378 1.00 74.15 H new ATOM 0 HA PHE A 68 -11.567 13.224 22.640 1.00 33.21 H new ATOM 0 HB2 PHE A 68 -9.489 13.522 20.455 1.00 24.25 H new ATOM 0 HB3 PHE A 68 -9.852 11.954 21.148 1.00 24.25 H new ATOM 0 HD1 PHE A 68 -11.845 14.903 19.952 1.00 34.23 H new ATOM 0 HD2 PHE A 68 -11.301 10.678 19.888 1.00 15.05 H new ATOM 0 HE1 PHE A 68 -13.769 14.679 18.441 1.00 12.21 H new ATOM 0 HE2 PHE A 68 -13.225 10.451 18.377 1.00 54.32 H new ATOM 0 HZ PHE A 68 -14.459 12.454 17.646 1.00 75.32 H new ATOM 1039 N PHE A 69 -8.923 14.332 23.867 1.00 22.51 N ATOM 1040 CA PHE A 69 -7.878 14.161 24.870 1.00 34.25 C ATOM 1041 C PHE A 69 -7.423 15.511 25.417 1.00 71.14 C ATOM 1042 O PHE A 69 -7.085 15.635 26.593 1.00 65.11 O ATOM 1043 CB PHE A 69 -6.686 13.411 24.273 1.00 22.05 C ATOM 1044 CG PHE A 69 -5.916 14.215 23.265 1.00 72.12 C ATOM 1045 CD1 PHE A 69 -6.535 14.689 22.119 1.00 0.24 C ATOM 1046 CD2 PHE A 69 -4.574 14.496 23.462 1.00 62.12 C ATOM 1047 CE1 PHE A 69 -5.830 15.430 21.189 1.00 22.43 C ATOM 1048 CE2 PHE A 69 -3.864 15.236 22.536 1.00 44.14 C ATOM 1049 CZ PHE A 69 -4.492 15.702 21.397 1.00 10.54 C ATOM 0 H PHE A 69 -9.127 15.303 23.631 1.00 22.51 H new ATOM 0 HA PHE A 69 -8.290 13.576 25.692 1.00 34.25 H new ATOM 0 HB2 PHE A 69 -6.014 13.113 25.078 1.00 22.05 H new ATOM 0 HB3 PHE A 69 -7.043 12.496 23.800 1.00 22.05 H new ATOM 0 HD1 PHE A 69 -7.580 14.477 21.951 1.00 0.24 H new ATOM 0 HD2 PHE A 69 -4.077 14.133 24.349 1.00 62.12 H new ATOM 0 HE1 PHE A 69 -6.325 15.796 20.301 1.00 22.43 H new ATOM 0 HE2 PHE A 69 -2.819 15.450 22.702 1.00 44.14 H new ATOM 0 HZ PHE A 69 -3.938 16.278 20.671 1.00 10.54 H new ATOM 1059 N GLY A 70 -7.417 16.521 24.552 1.00 53.10 N ATOM 1060 CA GLY A 70 -7.001 17.849 24.965 1.00 34.30 C ATOM 1061 C GLY A 70 -5.699 18.276 24.318 1.00 24.53 C ATOM 1062 O GLY A 70 -5.403 17.888 23.188 1.00 62.21 O ATOM 0 H GLY A 70 -7.693 16.443 23.573 1.00 53.10 H new ATOM 0 HA2 GLY A 70 -7.782 18.566 24.711 1.00 34.30 H new ATOM 0 HA3 GLY A 70 -6.889 17.870 26.049 1.00 34.30 H new ATOM 1066 N ARG A 71 -4.919 19.077 25.036 1.00 44.54 N ATOM 1067 CA ARG A 71 -3.642 19.560 24.523 1.00 24.34 C ATOM 1068 C ARG A 71 -2.504 18.630 24.936 1.00 33.11 C ATOM 1069 O ARG A 71 -2.051 18.659 26.080 1.00 43.13 O ATOM 1070 CB ARG A 71 -3.366 20.976 25.031 1.00 13.22 C ATOM 1071 CG ARG A 71 -4.620 21.820 25.192 1.00 33.14 C ATOM 1072 CD ARG A 71 -5.121 21.805 26.628 1.00 2.43 C ATOM 1073 NE ARG A 71 -5.260 23.153 27.173 1.00 2.21 N ATOM 1074 CZ ARG A 71 -5.400 23.411 28.469 1.00 54.35 C ATOM 1075 NH1 ARG A 71 -5.420 22.419 29.347 1.00 31.23 N ATOM 1076 NH2 ARG A 71 -5.521 24.665 28.887 1.00 31.32 N ATOM 0 H ARG A 71 -5.148 19.405 25.974 1.00 44.54 H new ATOM 0 HA ARG A 71 -3.699 19.577 23.435 1.00 24.34 H new ATOM 0 HB2 ARG A 71 -2.853 20.915 25.991 1.00 13.22 H new ATOM 0 HB3 ARG A 71 -2.688 21.476 24.339 1.00 13.22 H new ATOM 0 HG2 ARG A 71 -4.411 22.846 24.889 1.00 33.14 H new ATOM 0 HG3 ARG A 71 -5.400 21.445 24.529 1.00 33.14 H new ATOM 0 HD2 ARG A 71 -6.084 21.296 26.671 1.00 2.43 H new ATOM 0 HD3 ARG A 71 -4.430 21.233 27.247 1.00 2.43 H new ATOM 0 HE ARG A 71 -5.249 23.939 26.523 1.00 2.21 H new ATOM 0 HH11 ARG A 71 -5.328 21.454 29.029 1.00 31.23 H new ATOM 0 HH12 ARG A 71 -5.528 22.620 30.341 1.00 31.23 H new ATOM 0 HH21 ARG A 71 -5.507 25.431 28.213 1.00 31.32 H new ATOM 0 HH22 ARG A 71 -5.628 24.863 29.882 1.00 31.32 H new ATOM 1090 N GLN A 72 -2.050 17.806 23.997 1.00 2.31 N ATOM 1091 CA GLN A 72 -0.967 16.867 24.264 1.00 3.42 C ATOM 1092 C GLN A 72 -0.190 16.555 22.989 1.00 11.13 C ATOM 1093 O GLN A 72 -0.614 16.909 21.888 1.00 1.04 O ATOM 1094 CB GLN A 72 -1.520 15.576 24.868 1.00 75.54 C ATOM 1095 CG GLN A 72 -1.168 15.390 26.335 1.00 75.53 C ATOM 1096 CD GLN A 72 -2.389 15.158 27.203 1.00 14.41 C ATOM 1097 OE1 GLN A 72 -3.251 16.029 27.327 1.00 0.33 O ATOM 1098 NE2 GLN A 72 -2.470 13.980 27.810 1.00 52.02 N ATOM 0 H GLN A 72 -2.415 17.770 23.045 1.00 2.31 H new ATOM 0 HA GLN A 72 -0.286 17.330 24.978 1.00 3.42 H new ATOM 0 HB2 GLN A 72 -2.605 15.570 24.760 1.00 75.54 H new ATOM 0 HB3 GLN A 72 -1.138 14.727 24.301 1.00 75.54 H new ATOM 0 HG2 GLN A 72 -0.488 14.544 26.437 1.00 75.53 H new ATOM 0 HG3 GLN A 72 -0.636 16.272 26.692 1.00 75.53 H new ATOM 0 HE21 GLN A 72 -1.733 13.287 27.679 1.00 52.02 H new ATOM 0 HE22 GLN A 72 -3.269 13.768 28.407 1.00 52.02 H new ATOM 1107 N THR A 73 0.950 15.890 23.145 1.00 63.33 N ATOM 1108 CA THR A 73 1.787 15.531 22.007 1.00 41.03 C ATOM 1109 C THR A 73 1.267 14.275 21.316 1.00 4.31 C ATOM 1110 O THR A 73 0.892 13.304 21.973 1.00 63.34 O ATOM 1111 CB THR A 73 3.249 15.300 22.435 1.00 53.13 C ATOM 1112 OG1 THR A 73 3.446 15.766 23.774 1.00 4.31 O ATOM 1113 CG2 THR A 73 4.207 16.017 21.496 1.00 2.31 C ATOM 0 H THR A 73 1.315 15.589 24.049 1.00 63.33 H new ATOM 0 HA THR A 73 1.748 16.368 21.310 1.00 41.03 H new ATOM 0 HB THR A 73 3.454 14.230 22.389 1.00 53.13 H new ATOM 0 HG1 THR A 73 4.377 15.614 24.040 1.00 4.31 H new ATOM 0 HG21 THR A 73 5.233 15.840 21.818 1.00 2.31 H new ATOM 0 HG22 THR A 73 4.074 15.639 20.482 1.00 2.31 H new ATOM 0 HG23 THR A 73 4.001 17.087 21.514 1.00 2.31 H new ATOM 1121 N VAL A 74 1.248 14.301 19.987 1.00 1.22 N ATOM 1122 CA VAL A 74 0.776 13.164 19.207 1.00 33.52 C ATOM 1123 C VAL A 74 1.630 12.959 17.961 1.00 21.23 C ATOM 1124 O VAL A 74 2.503 13.771 17.654 1.00 53.13 O ATOM 1125 CB VAL A 74 -0.694 13.345 18.784 1.00 32.43 C ATOM 1126 CG1 VAL A 74 -1.565 13.648 19.994 1.00 24.12 C ATOM 1127 CG2 VAL A 74 -0.816 14.444 17.740 1.00 12.23 C ATOM 0 H VAL A 74 1.554 15.098 19.428 1.00 1.22 H new ATOM 0 HA VAL A 74 0.857 12.286 19.848 1.00 33.52 H new ATOM 0 HB VAL A 74 -1.043 12.413 18.340 1.00 32.43 H new ATOM 0 HG11 VAL A 74 -2.600 13.773 19.675 1.00 24.12 H new ATOM 0 HG12 VAL A 74 -1.501 12.824 20.704 1.00 24.12 H new ATOM 0 HG13 VAL A 74 -1.219 14.565 20.471 1.00 24.12 H new ATOM 0 HG21 VAL A 74 -1.861 14.558 17.453 1.00 12.23 H new ATOM 0 HG22 VAL A 74 -0.449 15.383 18.155 1.00 12.23 H new ATOM 0 HG23 VAL A 74 -0.225 14.180 16.863 1.00 12.23 H new ATOM 1137 N TYR A 75 1.373 11.869 17.247 1.00 20.43 N ATOM 1138 CA TYR A 75 2.120 11.555 16.035 1.00 51.32 C ATOM 1139 C TYR A 75 1.191 11.481 14.827 1.00 62.03 C ATOM 1140 O TYR A 75 0.100 10.916 14.902 1.00 74.02 O ATOM 1141 CB TYR A 75 2.868 10.231 16.199 1.00 10.34 C ATOM 1142 CG TYR A 75 3.830 10.220 17.366 1.00 42.34 C ATOM 1143 CD1 TYR A 75 4.850 11.159 17.459 1.00 41.43 C ATOM 1144 CD2 TYR A 75 3.720 9.271 18.374 1.00 64.54 C ATOM 1145 CE1 TYR A 75 5.732 11.153 18.522 1.00 21.00 C ATOM 1146 CE2 TYR A 75 4.597 9.257 19.441 1.00 11.42 C ATOM 1147 CZ TYR A 75 5.601 10.200 19.511 1.00 41.41 C ATOM 1148 OH TYR A 75 6.477 10.190 20.572 1.00 21.20 O ATOM 0 H TYR A 75 0.653 11.188 17.487 1.00 20.43 H new ATOM 0 HA TYR A 75 2.843 12.354 15.867 1.00 51.32 H new ATOM 0 HB2 TYR A 75 2.143 9.427 16.329 1.00 10.34 H new ATOM 0 HB3 TYR A 75 3.419 10.018 15.283 1.00 10.34 H new ATOM 0 HD1 TYR A 75 4.955 11.907 16.687 1.00 41.43 H new ATOM 0 HD2 TYR A 75 2.935 8.531 18.323 1.00 64.54 H new ATOM 0 HE1 TYR A 75 6.519 11.890 18.579 1.00 21.00 H new ATOM 0 HE2 TYR A 75 4.497 8.512 20.216 1.00 11.42 H new ATOM 0 HH TYR A 75 6.615 11.106 20.891 1.00 21.20 H new ATOM 1158 N HIS A 76 1.633 12.055 13.712 1.00 4.34 N ATOM 1159 CA HIS A 76 0.843 12.054 12.486 1.00 24.22 C ATOM 1160 C HIS A 76 1.404 11.054 11.480 1.00 64.32 C ATOM 1161 O HIS A 76 0.807 10.812 10.431 1.00 72.44 O ATOM 1162 CB HIS A 76 0.816 13.453 11.871 1.00 54.21 C ATOM 1163 CG HIS A 76 2.123 13.869 11.270 1.00 12.50 C ATOM 1164 ND1 HIS A 76 3.380 13.415 11.483 1.00 25.35 N flip ATOM 1165 CD2 HIS A 76 2.233 14.871 10.328 1.00 32.21 C flip ATOM 1166 CE1 HIS A 76 4.218 14.141 10.674 1.00 73.30 C flip ATOM 1167 NE2 HIS A 76 3.502 15.013 9.987 1.00 42.22 N flip ATOM 0 H HIS A 76 2.534 12.527 13.633 1.00 4.34 H new ATOM 0 HA HIS A 76 -0.175 11.757 12.739 1.00 24.22 H new ATOM 0 HB2 HIS A 76 0.044 13.488 11.102 1.00 54.21 H new ATOM 0 HB3 HIS A 76 0.533 14.173 12.639 1.00 54.21 H new ATOM 0 HD2 HIS A 76 1.411 15.449 9.931 1.00 32.21 H new ATOM 0 HE1 HIS A 76 5.289 14.019 10.610 1.00 73.30 H new ATOM 0 HE2 HIS A 76 3.866 15.682 9.309 1.00 42.22 H new ATOM 1175 N HIS A 77 2.556 10.476 11.806 1.00 63.00 N ATOM 1176 CA HIS A 77 3.198 9.502 10.930 1.00 1.01 C ATOM 1177 C HIS A 77 4.404 8.866 11.616 1.00 53.32 C ATOM 1178 O HIS A 77 4.531 7.643 11.658 1.00 11.24 O ATOM 1179 CB HIS A 77 3.632 10.167 9.624 1.00 52.43 C ATOM 1180 CG HIS A 77 4.015 9.192 8.553 1.00 15.42 C ATOM 1181 ND1 HIS A 77 3.247 8.968 7.430 1.00 13.10 N ATOM 1182 CD2 HIS A 77 5.093 8.382 8.438 1.00 35.11 C ATOM 1183 CE1 HIS A 77 3.835 8.061 6.671 1.00 31.43 C ATOM 1184 NE2 HIS A 77 4.957 7.689 7.260 1.00 21.14 N ATOM 0 H HIS A 77 3.064 10.665 12.670 1.00 63.00 H new ATOM 0 HA HIS A 77 2.474 8.718 10.707 1.00 1.01 H new ATOM 0 HB2 HIS A 77 2.820 10.795 9.258 1.00 52.43 H new ATOM 0 HB3 HIS A 77 4.478 10.825 9.824 1.00 52.43 H new ATOM 0 HD2 HIS A 77 5.908 8.296 9.141 1.00 35.11 H new ATOM 0 HE1 HIS A 77 3.462 7.687 5.729 1.00 31.43 H new ATOM 0 HE2 HIS A 77 5.616 6.999 6.899 1.00 21.14 H new ATOM 1192 N GLU A 78 5.286 9.706 12.150 1.00 75.42 N ATOM 1193 CA GLU A 78 6.481 9.224 12.832 1.00 43.34 C ATOM 1194 C GLU A 78 6.217 9.029 14.322 1.00 75.24 C ATOM 1195 O GLU A 78 5.697 9.920 14.993 1.00 74.34 O ATOM 1196 CB GLU A 78 7.639 10.205 12.632 1.00 14.34 C ATOM 1197 CG GLU A 78 7.296 11.636 13.011 1.00 15.21 C ATOM 1198 CD GLU A 78 8.496 12.560 12.947 1.00 10.40 C ATOM 1199 OE1 GLU A 78 9.562 12.117 12.471 1.00 11.32 O ATOM 1200 OE2 GLU A 78 8.369 13.728 13.373 1.00 73.41 O ATOM 0 H GLU A 78 5.195 10.722 12.123 1.00 75.42 H new ATOM 0 HA GLU A 78 6.751 8.260 12.400 1.00 43.34 H new ATOM 0 HB2 GLU A 78 8.491 9.875 13.226 1.00 14.34 H new ATOM 0 HB3 GLU A 78 7.950 10.179 11.588 1.00 14.34 H new ATOM 0 HG2 GLU A 78 6.519 12.009 12.343 1.00 15.21 H new ATOM 0 HG3 GLU A 78 6.883 11.652 14.020 1.00 15.21 H new ATOM 1207 N ALA A 79 6.578 7.856 14.832 1.00 72.01 N ATOM 1208 CA ALA A 79 6.381 7.543 16.242 1.00 41.21 C ATOM 1209 C ALA A 79 7.386 6.500 16.718 1.00 31.40 C ATOM 1210 O ALA A 79 7.153 5.298 16.591 1.00 34.11 O ATOM 1211 CB ALA A 79 4.959 7.057 16.481 1.00 2.53 C ATOM 0 H ALA A 79 7.008 7.107 14.290 1.00 72.01 H new ATOM 0 HA ALA A 79 6.543 8.454 16.817 1.00 41.21 H new ATOM 0 HB1 ALA A 79 4.826 6.827 17.538 1.00 2.53 H new ATOM 0 HB2 ALA A 79 4.254 7.835 16.188 1.00 2.53 H new ATOM 0 HB3 ALA A 79 4.777 6.160 15.889 1.00 2.53 H new ATOM 1217 N GLN A 80 8.503 6.967 17.265 1.00 2.12 N ATOM 1218 CA GLN A 80 9.544 6.073 17.759 1.00 72.24 C ATOM 1219 C GLN A 80 9.874 6.374 19.217 1.00 61.02 C ATOM 1220 O GLN A 80 9.787 7.519 19.660 1.00 2.21 O ATOM 1221 CB GLN A 80 10.804 6.200 16.901 1.00 1.31 C ATOM 1222 CG GLN A 80 12.020 5.512 17.501 1.00 50.45 C ATOM 1223 CD GLN A 80 13.265 5.686 16.653 1.00 22.44 C ATOM 1224 OE1 GLN A 80 13.609 4.818 15.850 1.00 51.32 O ATOM 1225 NE2 GLN A 80 13.949 6.810 16.829 1.00 42.22 N ATOM 0 H GLN A 80 8.711 7.959 17.378 1.00 2.12 H new ATOM 0 HA GLN A 80 9.171 5.051 17.694 1.00 72.24 H new ATOM 0 HB2 GLN A 80 10.607 5.777 15.916 1.00 1.31 H new ATOM 0 HB3 GLN A 80 11.029 7.256 16.755 1.00 1.31 H new ATOM 0 HG2 GLN A 80 12.205 5.913 18.498 1.00 50.45 H new ATOM 0 HG3 GLN A 80 11.810 4.449 17.619 1.00 50.45 H new ATOM 0 HE21 GLN A 80 13.627 7.502 17.506 1.00 42.22 H new ATOM 0 HE22 GLN A 80 14.796 6.981 16.288 1.00 42.22 H new ATOM 1234 N VAL A 81 10.253 5.338 19.959 1.00 50.22 N ATOM 1235 CA VAL A 81 10.597 5.492 21.367 1.00 31.13 C ATOM 1236 C VAL A 81 11.878 4.738 21.706 1.00 71.33 C ATOM 1237 O VAL A 81 12.092 3.618 21.242 1.00 42.45 O ATOM 1238 CB VAL A 81 9.462 4.990 22.280 1.00 23.01 C ATOM 1239 CG1 VAL A 81 9.739 5.360 23.729 1.00 2.22 C ATOM 1240 CG2 VAL A 81 8.124 5.552 21.824 1.00 22.20 C ATOM 0 H VAL A 81 10.329 4.383 19.608 1.00 50.22 H new ATOM 0 HA VAL A 81 10.749 6.557 21.541 1.00 31.13 H new ATOM 0 HB VAL A 81 9.417 3.903 22.210 1.00 23.01 H new ATOM 0 HG11 VAL A 81 8.927 4.997 24.359 1.00 2.22 H new ATOM 0 HG12 VAL A 81 10.677 4.905 24.048 1.00 2.22 H new ATOM 0 HG13 VAL A 81 9.813 6.444 23.820 1.00 2.22 H new ATOM 0 HG21 VAL A 81 7.334 5.187 22.480 1.00 22.20 H new ATOM 0 HG22 VAL A 81 8.154 6.641 21.863 1.00 22.20 H new ATOM 0 HG23 VAL A 81 7.924 5.231 20.802 1.00 22.20 H new ATOM 1250 N ALA A 82 12.727 5.359 22.518 1.00 35.23 N ATOM 1251 CA ALA A 82 13.986 4.745 22.921 1.00 12.34 C ATOM 1252 C ALA A 82 13.886 4.159 24.326 1.00 41.05 C ATOM 1253 O ALA A 82 13.368 4.799 25.241 1.00 60.10 O ATOM 1254 CB ALA A 82 15.115 5.763 22.851 1.00 31.21 C ATOM 0 H ALA A 82 12.566 6.287 22.910 1.00 35.23 H new ATOM 0 HA ALA A 82 14.202 3.930 22.230 1.00 12.34 H new ATOM 0 HB1 ALA A 82 16.050 5.291 23.155 1.00 31.21 H new ATOM 0 HB2 ALA A 82 15.210 6.132 21.830 1.00 31.21 H new ATOM 0 HB3 ALA A 82 14.896 6.596 23.519 1.00 31.21 H new ATOM 1260 N PHE A 83 14.385 2.938 24.489 1.00 52.13 N ATOM 1261 CA PHE A 83 14.350 2.265 25.782 1.00 63.33 C ATOM 1262 C PHE A 83 15.762 1.965 26.277 1.00 62.35 C ATOM 1263 O PHE A 83 16.292 0.869 26.092 1.00 21.21 O ATOM 1264 CB PHE A 83 13.546 0.967 25.683 1.00 33.03 C ATOM 1265 CG PHE A 83 12.244 1.123 24.950 1.00 64.44 C ATOM 1266 CD1 PHE A 83 11.358 2.132 25.290 1.00 23.12 C ATOM 1267 CD2 PHE A 83 11.907 0.260 23.919 1.00 5.00 C ATOM 1268 CE1 PHE A 83 10.160 2.277 24.617 1.00 31.31 C ATOM 1269 CE2 PHE A 83 10.711 0.400 23.242 1.00 54.20 C ATOM 1270 CZ PHE A 83 9.836 1.411 23.591 1.00 62.30 C ATOM 0 H PHE A 83 14.818 2.395 23.742 1.00 52.13 H new ATOM 0 HA PHE A 83 13.867 2.930 26.497 1.00 63.33 H new ATOM 0 HB2 PHE A 83 14.150 0.213 25.179 1.00 33.03 H new ATOM 0 HB3 PHE A 83 13.346 0.595 26.688 1.00 33.03 H new ATOM 0 HD1 PHE A 83 11.606 2.813 26.090 1.00 23.12 H new ATOM 0 HD2 PHE A 83 12.588 -0.531 23.642 1.00 5.00 H new ATOM 0 HE1 PHE A 83 9.477 3.067 24.893 1.00 31.31 H new ATOM 0 HE2 PHE A 83 10.460 -0.280 22.441 1.00 54.20 H new ATOM 0 HZ PHE A 83 8.901 1.524 23.063 1.00 62.30 H new ATOM 1280 N PRO A 84 16.387 2.962 26.920 1.00 23.32 N ATOM 1281 CA PRO A 84 17.746 2.830 27.455 1.00 32.40 C ATOM 1282 C PRO A 84 17.809 1.886 28.652 1.00 55.44 C ATOM 1283 O PRO A 84 17.020 2.005 29.590 1.00 71.23 O ATOM 1284 CB PRO A 84 18.100 4.257 27.880 1.00 30.10 C ATOM 1285 CG PRO A 84 16.787 4.910 28.145 1.00 44.15 C ATOM 1286 CD PRO A 84 15.816 4.295 27.176 1.00 72.51 C ATOM 0 HA PRO A 84 18.433 2.406 26.723 1.00 32.40 H new ATOM 0 HB2 PRO A 84 18.730 4.260 28.769 1.00 30.10 H new ATOM 0 HB3 PRO A 84 18.651 4.778 27.097 1.00 30.10 H new ATOM 0 HG2 PRO A 84 16.469 4.744 29.174 1.00 44.15 H new ATOM 0 HG3 PRO A 84 16.851 5.989 28.001 1.00 44.15 H new ATOM 0 HD2 PRO A 84 14.814 4.228 27.599 1.00 72.51 H new ATOM 0 HD3 PRO A 84 15.737 4.881 26.260 1.00 72.51 H new ATOM 1294 N TYR A 85 18.751 0.951 28.613 1.00 52.04 N ATOM 1295 CA TYR A 85 18.915 -0.014 29.693 1.00 11.13 C ATOM 1296 C TYR A 85 19.299 0.685 30.994 1.00 61.20 C ATOM 1297 O TYR A 85 19.878 1.771 30.981 1.00 73.23 O ATOM 1298 CB TYR A 85 19.979 -1.049 29.324 1.00 52.01 C ATOM 1299 CG TYR A 85 19.626 -1.871 28.105 1.00 62.21 C ATOM 1300 CD1 TYR A 85 18.319 -2.285 27.876 1.00 5.31 C ATOM 1301 CD2 TYR A 85 20.599 -2.235 27.183 1.00 64.52 C ATOM 1302 CE1 TYR A 85 17.993 -3.037 26.764 1.00 15.42 C ATOM 1303 CE2 TYR A 85 20.281 -2.986 26.067 1.00 4.15 C ATOM 1304 CZ TYR A 85 18.977 -3.384 25.863 1.00 72.23 C ATOM 1305 OH TYR A 85 18.656 -4.133 24.754 1.00 63.14 O ATOM 0 H TYR A 85 19.413 0.841 27.845 1.00 52.04 H new ATOM 0 HA TYR A 85 17.961 -0.521 29.841 1.00 11.13 H new ATOM 0 HB2 TYR A 85 20.925 -0.538 29.146 1.00 52.01 H new ATOM 0 HB3 TYR A 85 20.133 -1.718 30.171 1.00 52.01 H new ATOM 0 HD1 TYR A 85 17.545 -2.014 28.579 1.00 5.31 H new ATOM 0 HD2 TYR A 85 21.622 -1.926 27.341 1.00 64.52 H new ATOM 0 HE1 TYR A 85 16.973 -3.351 26.601 1.00 15.42 H new ATOM 0 HE2 TYR A 85 21.049 -3.259 25.359 1.00 4.15 H new ATOM 0 HH TYR A 85 18.426 -5.045 25.030 1.00 63.14 H new ATOM 1315 N ALA A 86 18.973 0.052 32.116 1.00 10.44 N ATOM 1316 CA ALA A 86 19.285 0.611 33.426 1.00 25.52 C ATOM 1317 C ALA A 86 20.033 -0.400 34.290 1.00 72.14 C ATOM 1318 O ALA A 86 20.367 -0.122 35.441 1.00 10.24 O ATOM 1319 CB ALA A 86 18.012 1.064 34.124 1.00 12.20 C ATOM 0 H ALA A 86 18.493 -0.848 32.144 1.00 10.44 H new ATOM 0 HA ALA A 86 19.933 1.475 33.280 1.00 25.52 H new ATOM 0 HB1 ALA A 86 18.261 1.479 35.101 1.00 12.20 H new ATOM 0 HB2 ALA A 86 17.518 1.826 33.521 1.00 12.20 H new ATOM 0 HB3 ALA A 86 17.344 0.212 34.251 1.00 12.20 H new ATOM 1325 N LYS A 87 20.292 -1.575 33.726 1.00 32.43 N ATOM 1326 CA LYS A 87 21.000 -2.629 34.444 1.00 41.32 C ATOM 1327 C LYS A 87 21.707 -3.568 33.472 1.00 32.52 C ATOM 1328 O LYS A 87 21.156 -3.930 32.433 1.00 63.13 O ATOM 1329 CB LYS A 87 20.027 -3.421 35.320 1.00 71.04 C ATOM 1330 CG LYS A 87 20.635 -4.675 35.924 1.00 71.04 C ATOM 1331 CD LYS A 87 21.777 -4.341 36.868 1.00 25.51 C ATOM 1332 CE LYS A 87 21.264 -3.817 38.200 1.00 22.25 C ATOM 1333 NZ LYS A 87 22.035 -4.371 39.348 1.00 13.13 N ATOM 0 H LYS A 87 20.022 -1.822 32.774 1.00 32.43 H new ATOM 0 HA LYS A 87 21.751 -2.160 35.080 1.00 41.32 H new ATOM 0 HB2 LYS A 87 19.669 -2.778 36.124 1.00 71.04 H new ATOM 0 HB3 LYS A 87 19.158 -3.700 34.723 1.00 71.04 H new ATOM 0 HG2 LYS A 87 19.867 -5.230 36.463 1.00 71.04 H new ATOM 0 HG3 LYS A 87 20.998 -5.325 35.128 1.00 71.04 H new ATOM 0 HD2 LYS A 87 22.384 -5.231 37.035 1.00 25.51 H new ATOM 0 HD3 LYS A 87 22.425 -3.595 36.408 1.00 25.51 H new ATOM 0 HE2 LYS A 87 21.328 -2.729 38.211 1.00 22.25 H new ATOM 0 HE3 LYS A 87 20.211 -4.076 38.311 1.00 22.25 H new ATOM 0 HZ1 LYS A 87 21.655 -3.990 40.238 1.00 13.13 H new ATOM 0 HZ2 LYS A 87 21.954 -5.408 39.353 1.00 13.13 H new ATOM 0 HZ3 LYS A 87 23.036 -4.103 39.256 1.00 13.13 H new ATOM 1347 N ALA A 88 22.928 -3.961 33.819 1.00 63.24 N ATOM 1348 CA ALA A 88 23.708 -4.862 32.979 1.00 41.34 C ATOM 1349 C ALA A 88 23.215 -6.299 33.108 1.00 15.33 C ATOM 1350 O ALA A 88 23.278 -6.893 34.185 1.00 54.33 O ATOM 1351 CB ALA A 88 25.184 -4.774 33.339 1.00 52.14 C ATOM 0 H ALA A 88 23.399 -3.670 34.676 1.00 63.24 H new ATOM 0 HA ALA A 88 23.579 -4.554 31.942 1.00 41.34 H new ATOM 0 HB1 ALA A 88 25.754 -5.452 32.704 1.00 52.14 H new ATOM 0 HB2 ALA A 88 25.535 -3.753 33.188 1.00 52.14 H new ATOM 0 HB3 ALA A 88 25.321 -5.054 34.384 1.00 52.14 H new ATOM 1357 N VAL A 89 22.722 -6.852 32.005 1.00 63.44 N ATOM 1358 CA VAL A 89 22.218 -8.220 31.995 1.00 21.50 C ATOM 1359 C VAL A 89 22.328 -8.837 30.605 1.00 21.01 C ATOM 1360 O VAL A 89 22.104 -8.167 29.598 1.00 74.32 O ATOM 1361 CB VAL A 89 20.750 -8.281 32.457 1.00 51.24 C ATOM 1362 CG1 VAL A 89 20.657 -8.110 33.965 1.00 32.52 C ATOM 1363 CG2 VAL A 89 19.923 -7.224 31.740 1.00 12.24 C ATOM 0 H VAL A 89 22.661 -6.374 31.106 1.00 63.44 H new ATOM 0 HA VAL A 89 22.834 -8.789 32.691 1.00 21.50 H new ATOM 0 HB VAL A 89 20.347 -9.261 32.202 1.00 51.24 H new ATOM 0 HG11 VAL A 89 19.612 -8.156 34.273 1.00 32.52 H new ATOM 0 HG12 VAL A 89 21.215 -8.907 34.457 1.00 32.52 H new ATOM 0 HG13 VAL A 89 21.077 -7.145 34.248 1.00 32.52 H new ATOM 0 HG21 VAL A 89 18.888 -7.281 32.078 1.00 12.24 H new ATOM 0 HG22 VAL A 89 20.324 -6.235 31.963 1.00 12.24 H new ATOM 0 HG23 VAL A 89 19.964 -7.398 30.665 1.00 12.24 H new ATOM 1373 N GLY A 90 22.675 -10.120 30.558 1.00 3.32 N ATOM 1374 CA GLY A 90 22.809 -10.806 29.287 1.00 71.15 C ATOM 1375 C GLY A 90 21.676 -11.780 29.031 1.00 15.33 C ATOM 1376 O GLY A 90 21.787 -12.661 28.180 1.00 32.53 O ATOM 0 H GLY A 90 22.866 -10.696 31.378 1.00 3.32 H new ATOM 0 HA2 GLY A 90 22.841 -10.071 28.483 1.00 71.15 H new ATOM 0 HA3 GLY A 90 23.757 -11.343 29.266 1.00 71.15 H new ATOM 1380 N GLU A 91 20.583 -11.621 29.771 1.00 12.25 N ATOM 1381 CA GLU A 91 19.426 -12.496 29.622 1.00 52.41 C ATOM 1382 C GLU A 91 18.348 -11.831 28.770 1.00 70.40 C ATOM 1383 O GLU A 91 18.333 -10.615 28.580 1.00 21.02 O ATOM 1384 CB GLU A 91 18.854 -12.861 30.993 1.00 1.14 C ATOM 1385 CG GLU A 91 19.328 -14.209 31.511 1.00 55.22 C ATOM 1386 CD GLU A 91 18.261 -14.936 32.306 1.00 74.11 C ATOM 1387 OE1 GLU A 91 17.879 -14.434 33.384 1.00 44.20 O ATOM 1388 OE2 GLU A 91 17.807 -16.007 31.851 1.00 41.33 O ATOM 0 H GLU A 91 20.475 -10.895 30.479 1.00 12.25 H new ATOM 0 HA GLU A 91 19.753 -13.406 29.119 1.00 52.41 H new ATOM 0 HB2 GLU A 91 19.130 -12.088 31.710 1.00 1.14 H new ATOM 0 HB3 GLU A 91 17.766 -12.866 30.934 1.00 1.14 H new ATOM 0 HG2 GLU A 91 19.635 -14.830 30.669 1.00 55.22 H new ATOM 0 HG3 GLU A 91 20.208 -14.064 32.138 1.00 55.22 H new ATOM 1395 N PRO A 92 17.424 -12.648 28.243 1.00 31.40 N ATOM 1396 CA PRO A 92 16.325 -12.163 27.403 1.00 61.33 C ATOM 1397 C PRO A 92 15.302 -11.357 28.195 1.00 51.31 C ATOM 1398 O PRO A 92 15.127 -11.566 29.395 1.00 32.35 O ATOM 1399 CB PRO A 92 15.693 -13.450 26.867 1.00 31.54 C ATOM 1400 CG PRO A 92 16.032 -14.489 27.880 1.00 1.25 C ATOM 1401 CD PRO A 92 17.380 -14.109 28.428 1.00 42.34 C ATOM 0 HA PRO A 92 16.676 -11.488 26.623 1.00 61.33 H new ATOM 0 HB2 PRO A 92 14.614 -13.344 26.754 1.00 31.54 H new ATOM 0 HB3 PRO A 92 16.092 -13.708 25.886 1.00 31.54 H new ATOM 0 HG2 PRO A 92 15.284 -14.521 28.672 1.00 1.25 H new ATOM 0 HG3 PRO A 92 16.060 -15.480 27.428 1.00 1.25 H new ATOM 0 HD2 PRO A 92 17.479 -14.384 29.478 1.00 42.34 H new ATOM 0 HD3 PRO A 92 18.187 -14.607 27.890 1.00 42.34 H new ATOM 1409 N TYR A 93 14.629 -10.435 27.516 1.00 14.41 N ATOM 1410 CA TYR A 93 13.624 -9.595 28.158 1.00 72.15 C ATOM 1411 C TYR A 93 12.345 -9.546 27.328 1.00 75.04 C ATOM 1412 O TYR A 93 12.323 -9.970 26.172 1.00 51.42 O ATOM 1413 CB TYR A 93 14.167 -8.180 28.362 1.00 14.24 C ATOM 1414 CG TYR A 93 15.128 -7.738 27.283 1.00 65.03 C ATOM 1415 CD1 TYR A 93 16.478 -8.061 27.352 1.00 71.10 C ATOM 1416 CD2 TYR A 93 14.687 -6.998 26.192 1.00 22.24 C ATOM 1417 CE1 TYR A 93 17.360 -7.659 26.368 1.00 2.21 C ATOM 1418 CE2 TYR A 93 15.562 -6.593 25.203 1.00 41.20 C ATOM 1419 CZ TYR A 93 16.898 -6.925 25.296 1.00 75.14 C ATOM 1420 OH TYR A 93 17.773 -6.524 24.313 1.00 50.33 O ATOM 0 H TYR A 93 14.761 -10.250 26.522 1.00 14.41 H new ATOM 0 HA TYR A 93 13.389 -10.031 29.129 1.00 72.15 H new ATOM 0 HB2 TYR A 93 13.331 -7.481 28.400 1.00 14.24 H new ATOM 0 HB3 TYR A 93 14.670 -8.129 29.328 1.00 14.24 H new ATOM 0 HD1 TYR A 93 16.844 -8.636 28.190 1.00 71.10 H new ATOM 0 HD2 TYR A 93 13.642 -6.735 26.116 1.00 22.24 H new ATOM 0 HE1 TYR A 93 18.406 -7.918 26.438 1.00 2.21 H new ATOM 0 HE2 TYR A 93 15.202 -6.020 24.361 1.00 41.20 H new ATOM 0 HH TYR A 93 17.287 -6.017 23.630 1.00 50.33 H new ATOM 1430 N LYS A 94 11.279 -9.025 27.926 1.00 73.00 N ATOM 1431 CA LYS A 94 9.994 -8.917 27.244 1.00 23.13 C ATOM 1432 C LYS A 94 9.668 -7.462 26.925 1.00 4.52 C ATOM 1433 O LYS A 94 10.050 -6.553 27.664 1.00 10.21 O ATOM 1434 CB LYS A 94 8.884 -9.522 28.106 1.00 72.41 C ATOM 1435 CG LYS A 94 7.548 -9.629 27.390 1.00 3.43 C ATOM 1436 CD LYS A 94 6.540 -8.634 27.940 1.00 3.53 C ATOM 1437 CE LYS A 94 5.775 -9.211 29.121 1.00 11.53 C ATOM 1438 NZ LYS A 94 5.108 -8.147 29.923 1.00 71.42 N ATOM 0 H LYS A 94 11.279 -8.671 28.882 1.00 73.00 H new ATOM 0 HA LYS A 94 10.061 -9.470 26.307 1.00 23.13 H new ATOM 0 HB2 LYS A 94 9.191 -10.515 28.435 1.00 72.41 H new ATOM 0 HB3 LYS A 94 8.759 -8.914 29.002 1.00 72.41 H new ATOM 0 HG2 LYS A 94 7.690 -9.453 26.324 1.00 3.43 H new ATOM 0 HG3 LYS A 94 7.157 -10.641 27.496 1.00 3.43 H new ATOM 0 HD2 LYS A 94 7.056 -7.725 28.248 1.00 3.53 H new ATOM 0 HD3 LYS A 94 5.839 -8.352 27.154 1.00 3.53 H new ATOM 0 HE2 LYS A 94 5.027 -9.916 28.759 1.00 11.53 H new ATOM 0 HE3 LYS A 94 6.459 -9.771 29.758 1.00 11.53 H new ATOM 0 HZ1 LYS A 94 5.030 -8.456 30.913 1.00 71.42 H new ATOM 0 HZ2 LYS A 94 5.670 -7.273 29.876 1.00 71.42 H new ATOM 0 HZ3 LYS A 94 4.157 -7.968 29.541 1.00 71.42 H new ATOM 1452 N LEU A 95 8.960 -7.247 25.822 1.00 10.22 N ATOM 1453 CA LEU A 95 8.581 -5.901 25.406 1.00 11.01 C ATOM 1454 C LEU A 95 7.072 -5.798 25.204 1.00 5.04 C ATOM 1455 O LEU A 95 6.461 -6.655 24.566 1.00 12.04 O ATOM 1456 CB LEU A 95 9.307 -5.522 24.114 1.00 13.21 C ATOM 1457 CG LEU A 95 8.650 -4.427 23.272 1.00 25.10 C ATOM 1458 CD1 LEU A 95 8.482 -3.155 24.088 1.00 44.32 C ATOM 1459 CD2 LEU A 95 9.470 -4.155 22.019 1.00 73.12 C ATOM 0 H LEU A 95 8.637 -7.987 25.199 1.00 10.22 H new ATOM 0 HA LEU A 95 8.871 -5.208 26.196 1.00 11.01 H new ATOM 0 HB2 LEU A 95 10.317 -5.200 24.369 1.00 13.21 H new ATOM 0 HB3 LEU A 95 9.404 -6.417 23.499 1.00 13.21 H new ATOM 0 HG LEU A 95 7.662 -4.772 22.968 1.00 25.10 H new ATOM 0 HD11 LEU A 95 8.013 -2.387 23.473 1.00 44.32 H new ATOM 0 HD12 LEU A 95 7.854 -3.359 24.955 1.00 44.32 H new ATOM 0 HD13 LEU A 95 9.459 -2.805 24.422 1.00 44.32 H new ATOM 0 HD21 LEU A 95 8.988 -3.373 21.431 1.00 73.12 H new ATOM 0 HD22 LEU A 95 10.471 -3.831 22.303 1.00 73.12 H new ATOM 0 HD23 LEU A 95 9.539 -5.066 21.424 1.00 73.12 H new ATOM 1471 N VAL A 96 6.478 -4.742 25.751 1.00 42.11 N ATOM 1472 CA VAL A 96 5.042 -4.524 25.628 1.00 33.42 C ATOM 1473 C VAL A 96 4.742 -3.147 25.047 1.00 60.42 C ATOM 1474 O VAL A 96 5.065 -2.123 25.650 1.00 52.11 O ATOM 1475 CB VAL A 96 4.335 -4.659 26.990 1.00 24.33 C ATOM 1476 CG1 VAL A 96 2.825 -4.620 26.815 1.00 50.50 C ATOM 1477 CG2 VAL A 96 4.766 -5.940 27.689 1.00 72.44 C ATOM 0 H VAL A 96 6.969 -4.024 26.284 1.00 42.11 H new ATOM 0 HA VAL A 96 4.663 -5.291 24.952 1.00 33.42 H new ATOM 0 HB VAL A 96 4.626 -3.815 27.615 1.00 24.33 H new ATOM 0 HG11 VAL A 96 2.343 -4.717 27.788 1.00 50.50 H new ATOM 0 HG12 VAL A 96 2.536 -3.673 26.360 1.00 50.50 H new ATOM 0 HG13 VAL A 96 2.512 -5.442 26.172 1.00 50.50 H new ATOM 0 HG21 VAL A 96 4.257 -6.019 28.650 1.00 72.44 H new ATOM 0 HG22 VAL A 96 4.506 -6.798 27.069 1.00 72.44 H new ATOM 0 HG23 VAL A 96 5.844 -5.922 27.850 1.00 72.44 H new ATOM 1487 N LEU A 97 4.122 -3.130 23.872 1.00 45.41 N ATOM 1488 CA LEU A 97 3.778 -1.877 23.208 1.00 72.44 C ATOM 1489 C LEU A 97 2.271 -1.769 22.999 1.00 53.33 C ATOM 1490 O LEU A 97 1.616 -2.735 22.606 1.00 15.31 O ATOM 1491 CB LEU A 97 4.499 -1.775 21.863 1.00 62.34 C ATOM 1492 CG LEU A 97 5.623 -0.741 21.780 1.00 32.43 C ATOM 1493 CD1 LEU A 97 6.878 -1.363 21.189 1.00 23.41 C ATOM 1494 CD2 LEU A 97 5.182 0.460 20.957 1.00 4.53 C ATOM 0 H LEU A 97 3.847 -3.968 23.360 1.00 45.41 H new ATOM 0 HA LEU A 97 4.098 -1.055 23.848 1.00 72.44 H new ATOM 0 HB2 LEU A 97 4.914 -2.753 21.621 1.00 62.34 H new ATOM 0 HB3 LEU A 97 3.761 -1.543 21.095 1.00 62.34 H new ATOM 0 HG LEU A 97 5.853 -0.400 22.789 1.00 32.43 H new ATOM 0 HD11 LEU A 97 7.667 -0.612 21.138 1.00 23.41 H new ATOM 0 HD12 LEU A 97 7.205 -2.191 21.819 1.00 23.41 H new ATOM 0 HD13 LEU A 97 6.663 -1.733 20.186 1.00 23.41 H new ATOM 0 HD21 LEU A 97 5.994 1.186 20.908 1.00 4.53 H new ATOM 0 HD22 LEU A 97 4.925 0.135 19.949 1.00 4.53 H new ATOM 0 HD23 LEU A 97 4.311 0.921 21.423 1.00 4.53 H new ATOM 1506 N THR A 98 1.726 -0.585 23.262 1.00 53.11 N ATOM 1507 CA THR A 98 0.296 -0.349 23.102 1.00 5.00 C ATOM 1508 C THR A 98 0.035 0.913 22.288 1.00 2.11 C ATOM 1509 O THR A 98 0.500 1.998 22.640 1.00 73.30 O ATOM 1510 CB THR A 98 -0.408 -0.221 24.466 1.00 61.50 C ATOM 1511 OG1 THR A 98 -0.095 -1.353 25.286 1.00 11.45 O ATOM 1512 CG2 THR A 98 -1.915 -0.118 24.289 1.00 32.31 C ATOM 0 H THR A 98 2.253 0.225 23.587 1.00 53.11 H new ATOM 0 HA THR A 98 -0.109 -1.211 22.572 1.00 5.00 H new ATOM 0 HB THR A 98 -0.052 0.688 24.951 1.00 61.50 H new ATOM 0 HG1 THR A 98 -0.545 -1.264 26.152 1.00 11.45 H new ATOM 0 HG21 THR A 98 -2.391 -0.028 25.266 1.00 32.31 H new ATOM 0 HG22 THR A 98 -2.152 0.760 23.688 1.00 32.31 H new ATOM 0 HG23 THR A 98 -2.284 -1.012 23.786 1.00 32.31 H new ATOM 1520 N TYR A 99 -0.711 0.765 21.199 1.00 12.12 N ATOM 1521 CA TYR A 99 -1.033 1.894 20.334 1.00 61.30 C ATOM 1522 C TYR A 99 -2.509 2.262 20.445 1.00 73.31 C ATOM 1523 O TYR A 99 -3.377 1.389 20.465 1.00 11.30 O ATOM 1524 CB TYR A 99 -0.686 1.565 18.881 1.00 24.31 C ATOM 1525 CG TYR A 99 0.240 0.378 18.734 1.00 43.55 C ATOM 1526 CD1 TYR A 99 1.555 0.439 19.180 1.00 51.04 C ATOM 1527 CD2 TYR A 99 -0.199 -0.802 18.147 1.00 23.14 C ATOM 1528 CE1 TYR A 99 2.405 -0.642 19.046 1.00 11.13 C ATOM 1529 CE2 TYR A 99 0.644 -1.888 18.011 1.00 33.44 C ATOM 1530 CZ TYR A 99 1.945 -1.803 18.462 1.00 35.41 C ATOM 1531 OH TYR A 99 2.787 -2.883 18.327 1.00 2.11 O ATOM 0 H TYR A 99 -1.104 -0.125 20.894 1.00 12.12 H new ATOM 0 HA TYR A 99 -0.439 2.748 20.658 1.00 61.30 H new ATOM 0 HB2 TYR A 99 -1.607 1.367 18.332 1.00 24.31 H new ATOM 0 HB3 TYR A 99 -0.221 2.437 18.421 1.00 24.31 H new ATOM 0 HD1 TYR A 99 1.918 1.347 19.639 1.00 51.04 H new ATOM 0 HD2 TYR A 99 -1.216 -0.872 17.791 1.00 23.14 H new ATOM 0 HE1 TYR A 99 3.424 -0.578 19.397 1.00 11.13 H new ATOM 0 HE2 TYR A 99 0.286 -2.799 17.554 1.00 33.44 H new ATOM 0 HH TYR A 99 3.444 -2.879 19.054 1.00 2.11 H new ATOM 1541 N GLN A 100 -2.785 3.560 20.516 1.00 71.11 N ATOM 1542 CA GLN A 100 -4.156 4.044 20.625 1.00 51.30 C ATOM 1543 C GLN A 100 -4.277 5.463 20.079 1.00 52.13 C ATOM 1544 O GLN A 100 -3.569 6.369 20.515 1.00 43.45 O ATOM 1545 CB GLN A 100 -4.619 4.005 22.082 1.00 2.15 C ATOM 1546 CG GLN A 100 -5.952 4.696 22.316 1.00 14.12 C ATOM 1547 CD GLN A 100 -6.976 4.367 21.247 1.00 24.11 C ATOM 1548 OE1 GLN A 100 -7.081 3.223 20.804 1.00 41.04 O ATOM 1549 NE2 GLN A 100 -7.737 5.370 20.827 1.00 50.40 N ATOM 0 H GLN A 100 -2.078 4.295 20.500 1.00 71.11 H new ATOM 0 HA GLN A 100 -4.794 3.389 20.031 1.00 51.30 H new ATOM 0 HB2 GLN A 100 -4.697 2.966 22.402 1.00 2.15 H new ATOM 0 HB3 GLN A 100 -3.861 4.475 22.708 1.00 2.15 H new ATOM 0 HG2 GLN A 100 -6.343 4.403 23.290 1.00 14.12 H new ATOM 0 HG3 GLN A 100 -5.797 5.775 22.346 1.00 14.12 H new ATOM 0 HE21 GLN A 100 -7.616 6.302 21.222 1.00 50.40 H new ATOM 0 HE22 GLN A 100 -8.443 5.208 20.109 1.00 50.40 H new ATOM 1558 N GLY A 101 -5.180 5.648 19.121 1.00 55.14 N ATOM 1559 CA GLY A 101 -5.377 6.959 18.530 1.00 74.01 C ATOM 1560 C GLY A 101 -6.670 7.052 17.744 1.00 41.34 C ATOM 1561 O GLY A 101 -7.615 6.305 17.998 1.00 45.11 O ATOM 0 H GLY A 101 -5.779 4.914 18.744 1.00 55.14 H new ATOM 0 HA2 GLY A 101 -5.379 7.713 19.318 1.00 74.01 H new ATOM 0 HA3 GLY A 101 -4.538 7.187 17.872 1.00 74.01 H new ATOM 1565 N SER A 102 -6.713 7.974 16.786 1.00 33.44 N ATOM 1566 CA SER A 102 -7.902 8.166 15.964 1.00 61.01 C ATOM 1567 C SER A 102 -7.520 8.583 14.547 1.00 73.43 C ATOM 1568 O SER A 102 -6.383 8.975 14.288 1.00 1.05 O ATOM 1569 CB SER A 102 -8.815 9.222 16.589 1.00 34.25 C ATOM 1570 OG SER A 102 -9.224 10.178 15.627 1.00 62.04 O ATOM 0 H SER A 102 -5.939 8.599 16.561 1.00 33.44 H new ATOM 0 HA SER A 102 -8.437 7.217 15.914 1.00 61.01 H new ATOM 0 HB2 SER A 102 -9.691 8.739 17.021 1.00 34.25 H new ATOM 0 HB3 SER A 102 -8.292 9.723 17.404 1.00 34.25 H new ATOM 0 HG SER A 102 -8.574 10.910 15.597 1.00 62.04 H new ATOM 1576 N ALA A 103 -8.480 8.494 13.632 1.00 72.21 N ATOM 1577 CA ALA A 103 -8.247 8.863 12.241 1.00 23.13 C ATOM 1578 C ALA A 103 -8.440 10.361 12.031 1.00 23.10 C ATOM 1579 O ALA A 103 -9.380 10.954 12.558 1.00 51.22 O ATOM 1580 CB ALA A 103 -9.171 8.076 11.324 1.00 61.10 C ATOM 0 H ALA A 103 -9.427 8.169 13.829 1.00 72.21 H new ATOM 0 HA ALA A 103 -7.214 8.618 11.994 1.00 23.13 H new ATOM 0 HB1 ALA A 103 -8.986 8.362 10.289 1.00 61.10 H new ATOM 0 HB2 ALA A 103 -8.982 7.009 11.445 1.00 61.10 H new ATOM 0 HB3 ALA A 103 -10.208 8.292 11.580 1.00 61.10 H new ATOM 1586 N GLU A 104 -7.543 10.966 11.259 1.00 64.14 N ATOM 1587 CA GLU A 104 -7.615 12.396 10.981 1.00 22.41 C ATOM 1588 C GLU A 104 -8.953 12.759 10.343 1.00 4.23 C ATOM 1589 O GLU A 104 -9.374 13.915 10.375 1.00 5.12 O ATOM 1590 CB GLU A 104 -6.467 12.818 10.061 1.00 33.40 C ATOM 1591 CG GLU A 104 -5.728 14.056 10.539 1.00 52.22 C ATOM 1592 CD GLU A 104 -6.326 15.339 9.994 1.00 34.24 C ATOM 1593 OE1 GLU A 104 -7.392 15.756 10.494 1.00 2.11 O ATOM 1594 OE2 GLU A 104 -5.728 15.925 9.068 1.00 10.42 O ATOM 0 H GLU A 104 -6.758 10.489 10.815 1.00 64.14 H new ATOM 0 HA GLU A 104 -7.527 12.929 11.928 1.00 22.41 H new ATOM 0 HB2 GLU A 104 -5.759 11.993 9.975 1.00 33.40 H new ATOM 0 HB3 GLU A 104 -6.862 13.004 9.062 1.00 33.40 H new ATOM 0 HG2 GLU A 104 -5.744 14.086 11.628 1.00 52.22 H new ATOM 0 HG3 GLU A 104 -4.683 13.990 10.237 1.00 52.22 H new ATOM 1601 N ALA A 105 -9.615 11.763 9.764 1.00 13.42 N ATOM 1602 CA ALA A 105 -10.905 11.977 9.120 1.00 14.12 C ATOM 1603 C ALA A 105 -12.011 12.160 10.154 1.00 54.40 C ATOM 1604 O ALA A 105 -13.004 12.841 9.901 1.00 12.31 O ATOM 1605 CB ALA A 105 -11.232 10.814 8.195 1.00 15.30 C ATOM 0 H ALA A 105 -9.280 10.800 9.728 1.00 13.42 H new ATOM 0 HA ALA A 105 -10.841 12.891 8.529 1.00 14.12 H new ATOM 0 HB1 ALA A 105 -12.198 10.987 7.721 1.00 15.30 H new ATOM 0 HB2 ALA A 105 -10.461 10.731 7.429 1.00 15.30 H new ATOM 0 HB3 ALA A 105 -11.271 9.890 8.772 1.00 15.30 H new ATOM 1611 N GLY A 106 -11.833 11.547 11.320 1.00 21.11 N ATOM 1612 CA GLY A 106 -12.825 11.654 12.374 1.00 4.32 C ATOM 1613 C GLY A 106 -13.328 10.301 12.837 1.00 42.42 C ATOM 1614 O GLY A 106 -14.531 10.103 13.005 1.00 30.32 O ATOM 0 H GLY A 106 -11.019 10.978 11.554 1.00 21.11 H new ATOM 0 HA2 GLY A 106 -12.394 12.187 13.221 1.00 4.32 H new ATOM 0 HA3 GLY A 106 -13.666 12.248 12.018 1.00 4.32 H new ATOM 1618 N VAL A 107 -12.405 9.367 13.042 1.00 60.24 N ATOM 1619 CA VAL A 107 -12.761 8.025 13.487 1.00 75.00 C ATOM 1620 C VAL A 107 -12.004 7.648 14.755 1.00 32.41 C ATOM 1621 O VAL A 107 -10.835 7.998 14.920 1.00 51.51 O ATOM 1622 CB VAL A 107 -12.471 6.976 12.397 1.00 3.12 C ATOM 1623 CG1 VAL A 107 -12.694 5.571 12.935 1.00 31.00 C ATOM 1624 CG2 VAL A 107 -13.334 7.230 11.170 1.00 24.24 C ATOM 0 H VAL A 107 -11.405 9.515 12.907 1.00 60.24 H new ATOM 0 HA VAL A 107 -13.831 8.034 13.695 1.00 75.00 H new ATOM 0 HB VAL A 107 -11.425 7.064 12.102 1.00 3.12 H new ATOM 0 HG11 VAL A 107 -12.484 4.844 12.151 1.00 31.00 H new ATOM 0 HG12 VAL A 107 -12.029 5.395 13.780 1.00 31.00 H new ATOM 0 HG13 VAL A 107 -13.729 5.466 13.260 1.00 31.00 H new ATOM 0 HG21 VAL A 107 -13.116 6.480 10.410 1.00 24.24 H new ATOM 0 HG22 VAL A 107 -14.387 7.171 11.447 1.00 24.24 H new ATOM 0 HG23 VAL A 107 -13.119 8.222 10.773 1.00 24.24 H new ATOM 1634 N CYS A 108 -12.677 6.931 15.648 1.00 33.41 N ATOM 1635 CA CYS A 108 -12.068 6.505 16.903 1.00 2.01 C ATOM 1636 C CYS A 108 -12.076 4.985 17.024 1.00 73.45 C ATOM 1637 O CYS A 108 -13.135 4.366 17.134 1.00 54.35 O ATOM 1638 CB CYS A 108 -12.806 7.127 18.089 1.00 33.23 C ATOM 1639 SG CYS A 108 -12.223 6.556 19.703 1.00 54.30 S ATOM 0 H CYS A 108 -13.645 6.632 15.526 1.00 33.41 H new ATOM 0 HA CYS A 108 -11.033 6.846 16.909 1.00 2.01 H new ATOM 0 HB2 CYS A 108 -12.702 8.211 18.040 1.00 33.23 H new ATOM 0 HB3 CYS A 108 -13.869 6.904 17.999 1.00 33.23 H new ATOM 0 HG CYS A 108 -12.906 7.140 20.642 1.00 54.30 H new ATOM 1645 N TYR A 109 -10.890 4.388 17.000 1.00 3.13 N ATOM 1646 CA TYR A 109 -10.760 2.939 17.103 1.00 54.44 C ATOM 1647 C TYR A 109 -10.177 2.539 18.454 1.00 34.43 C ATOM 1648 O TYR A 109 -9.544 3.335 19.147 1.00 11.31 O ATOM 1649 CB TYR A 109 -9.877 2.404 15.975 1.00 43.34 C ATOM 1650 CG TYR A 109 -8.698 3.296 15.654 1.00 72.41 C ATOM 1651 CD1 TYR A 109 -8.829 4.364 14.776 1.00 42.41 C ATOM 1652 CD2 TYR A 109 -7.454 3.069 16.230 1.00 51.30 C ATOM 1653 CE1 TYR A 109 -7.754 5.181 14.480 1.00 75.35 C ATOM 1654 CE2 TYR A 109 -6.375 3.881 15.941 1.00 44.44 C ATOM 1655 CZ TYR A 109 -6.530 4.935 15.064 1.00 3.35 C ATOM 1656 OH TYR A 109 -5.457 5.747 14.773 1.00 54.10 O ATOM 0 H TYR A 109 -10.004 4.885 16.910 1.00 3.13 H new ATOM 0 HA TYR A 109 -11.755 2.503 17.014 1.00 54.44 H new ATOM 0 HB2 TYR A 109 -9.510 1.415 16.250 1.00 43.34 H new ATOM 0 HB3 TYR A 109 -10.483 2.280 15.078 1.00 43.34 H new ATOM 0 HD1 TYR A 109 -9.787 4.559 14.317 1.00 42.41 H new ATOM 0 HD2 TYR A 109 -7.329 2.244 16.915 1.00 51.30 H new ATOM 0 HE1 TYR A 109 -7.873 6.007 13.795 1.00 75.35 H new ATOM 0 HE2 TYR A 109 -5.415 3.692 16.399 1.00 44.44 H new ATOM 0 HH TYR A 109 -5.550 6.099 13.863 1.00 54.10 H new ATOM 1666 N PRO A 110 -10.395 1.272 18.839 1.00 12.32 N ATOM 1667 CA PRO A 110 -9.899 0.735 20.110 1.00 72.23 C ATOM 1668 C PRO A 110 -8.382 0.581 20.121 1.00 32.31 C ATOM 1669 O PRO A 110 -7.731 0.533 19.077 1.00 31.53 O ATOM 1670 CB PRO A 110 -10.576 -0.635 20.204 1.00 55.21 C ATOM 1671 CG PRO A 110 -10.856 -1.017 18.791 1.00 14.14 C ATOM 1672 CD PRO A 110 -11.142 0.268 18.064 1.00 61.33 C ATOM 0 HA PRO A 110 -10.124 1.395 20.947 1.00 72.23 H new ATOM 0 HB2 PRO A 110 -9.928 -1.364 20.690 1.00 55.21 H new ATOM 0 HB3 PRO A 110 -11.494 -0.584 20.790 1.00 55.21 H new ATOM 0 HG2 PRO A 110 -10.003 -1.534 18.350 1.00 14.14 H new ATOM 0 HG3 PRO A 110 -11.706 -1.697 18.732 1.00 14.14 H new ATOM 0 HD2 PRO A 110 -10.805 0.227 17.028 1.00 61.33 H new ATOM 0 HD3 PRO A 110 -12.209 0.489 18.043 1.00 61.33 H new ATOM 1680 N PRO A 111 -7.804 0.501 21.329 1.00 42.03 N ATOM 1681 CA PRO A 111 -6.356 0.350 21.505 1.00 53.23 C ATOM 1682 C PRO A 111 -5.859 -1.023 21.067 1.00 32.55 C ATOM 1683 O PRO A 111 -6.598 -2.007 21.117 1.00 30.04 O ATOM 1684 CB PRO A 111 -6.161 0.535 23.012 1.00 71.24 C ATOM 1685 CG PRO A 111 -7.468 0.148 23.613 1.00 11.51 C ATOM 1686 CD PRO A 111 -8.518 0.551 22.615 1.00 14.42 C ATOM 0 HA PRO A 111 -5.795 1.061 20.899 1.00 53.23 H new ATOM 0 HB2 PRO A 111 -5.352 -0.092 23.386 1.00 71.24 H new ATOM 0 HB3 PRO A 111 -5.904 1.566 23.254 1.00 71.24 H new ATOM 0 HG2 PRO A 111 -7.506 -0.924 23.808 1.00 11.51 H new ATOM 0 HG3 PRO A 111 -7.623 0.651 24.567 1.00 11.51 H new ATOM 0 HD2 PRO A 111 -9.368 -0.131 22.629 1.00 14.42 H new ATOM 0 HD3 PRO A 111 -8.906 1.549 22.821 1.00 14.42 H new ATOM 1694 N VAL A 112 -4.602 -1.084 20.639 1.00 33.21 N ATOM 1695 CA VAL A 112 -4.006 -2.338 20.195 1.00 61.25 C ATOM 1696 C VAL A 112 -2.705 -2.622 20.938 1.00 74.23 C ATOM 1697 O VAL A 112 -1.727 -1.888 20.799 1.00 25.55 O ATOM 1698 CB VAL A 112 -3.726 -2.321 18.680 1.00 4.51 C ATOM 1699 CG1 VAL A 112 -3.292 -3.698 18.201 1.00 53.40 C ATOM 1700 CG2 VAL A 112 -4.952 -1.843 17.917 1.00 30.02 C ATOM 0 H VAL A 112 -3.977 -0.279 20.590 1.00 33.21 H new ATOM 0 HA VAL A 112 -4.726 -3.126 20.415 1.00 61.25 H new ATOM 0 HB VAL A 112 -2.912 -1.623 18.487 1.00 4.51 H new ATOM 0 HG11 VAL A 112 -3.099 -3.666 17.129 1.00 53.40 H new ATOM 0 HG12 VAL A 112 -2.384 -3.996 18.725 1.00 53.40 H new ATOM 0 HG13 VAL A 112 -4.082 -4.420 18.406 1.00 53.40 H new ATOM 0 HG21 VAL A 112 -4.736 -1.837 16.849 1.00 30.02 H new ATOM 0 HG22 VAL A 112 -5.788 -2.514 18.115 1.00 30.02 H new ATOM 0 HG23 VAL A 112 -5.211 -0.835 18.240 1.00 30.02 H new ATOM 1710 N ASP A 113 -2.702 -3.692 21.726 1.00 54.52 N ATOM 1711 CA ASP A 113 -1.521 -4.074 22.491 1.00 72.45 C ATOM 1712 C ASP A 113 -0.769 -5.207 21.798 1.00 34.15 C ATOM 1713 O ASP A 113 -1.377 -6.127 21.250 1.00 55.00 O ATOM 1714 CB ASP A 113 -1.919 -4.499 23.905 1.00 3.01 C ATOM 1715 CG ASP A 113 -2.700 -5.798 23.922 1.00 54.24 C ATOM 1716 OD1 ASP A 113 -3.932 -5.752 23.719 1.00 70.11 O ATOM 1717 OD2 ASP A 113 -2.080 -6.860 24.136 1.00 34.23 O ATOM 0 H ASP A 113 -3.504 -4.310 21.851 1.00 54.52 H new ATOM 0 HA ASP A 113 -0.862 -3.208 22.553 1.00 72.45 H new ATOM 0 HB2 ASP A 113 -1.022 -4.610 24.514 1.00 3.01 H new ATOM 0 HB3 ASP A 113 -2.519 -3.712 24.362 1.00 3.01 H new ATOM 1722 N THR A 114 0.558 -5.134 21.827 1.00 52.13 N ATOM 1723 CA THR A 114 1.393 -6.151 21.200 1.00 32.04 C ATOM 1724 C THR A 114 2.667 -6.387 22.003 1.00 20.02 C ATOM 1725 O THR A 114 3.359 -5.441 22.378 1.00 32.01 O ATOM 1726 CB THR A 114 1.772 -5.758 19.760 1.00 4.33 C ATOM 1727 OG1 THR A 114 1.051 -4.585 19.367 1.00 44.23 O ATOM 1728 CG2 THR A 114 1.472 -6.892 18.793 1.00 62.35 C ATOM 0 H THR A 114 1.078 -4.381 22.278 1.00 52.13 H new ATOM 0 HA THR A 114 0.807 -7.070 21.175 1.00 32.04 H new ATOM 0 HB THR A 114 2.842 -5.552 19.732 1.00 4.33 H new ATOM 0 HG1 THR A 114 1.678 -3.916 19.020 1.00 44.23 H new ATOM 0 HG21 THR A 114 1.748 -6.591 17.782 1.00 62.35 H new ATOM 0 HG22 THR A 114 2.045 -7.774 19.078 1.00 62.35 H new ATOM 0 HG23 THR A 114 0.408 -7.125 18.824 1.00 62.35 H new ATOM 1736 N GLU A 115 2.971 -7.655 22.263 1.00 42.22 N ATOM 1737 CA GLU A 115 4.163 -8.014 23.022 1.00 44.41 C ATOM 1738 C GLU A 115 5.236 -8.598 22.107 1.00 53.23 C ATOM 1739 O GLU A 115 4.939 -9.383 21.206 1.00 54.32 O ATOM 1740 CB GLU A 115 3.812 -9.019 24.121 1.00 42.13 C ATOM 1741 CG GLU A 115 3.168 -8.385 25.342 1.00 75.21 C ATOM 1742 CD GLU A 115 3.500 -9.121 26.625 1.00 22.23 C ATOM 1743 OE1 GLU A 115 4.069 -10.230 26.544 1.00 52.12 O ATOM 1744 OE2 GLU A 115 3.192 -8.587 27.712 1.00 71.55 O ATOM 0 H GLU A 115 2.409 -8.450 21.959 1.00 42.22 H new ATOM 0 HA GLU A 115 4.556 -7.107 23.481 1.00 44.41 H new ATOM 0 HB2 GLU A 115 3.136 -9.770 23.713 1.00 42.13 H new ATOM 0 HB3 GLU A 115 4.719 -9.540 24.428 1.00 42.13 H new ATOM 0 HG2 GLU A 115 3.498 -7.350 25.426 1.00 75.21 H new ATOM 0 HG3 GLU A 115 2.086 -8.365 25.208 1.00 75.21 H new ATOM 1751 N PHE A 116 6.484 -8.209 22.344 1.00 0.32 N ATOM 1752 CA PHE A 116 7.601 -8.692 21.541 1.00 2.31 C ATOM 1753 C PHE A 116 8.674 -9.322 22.425 1.00 40.43 C ATOM 1754 O PHE A 116 9.167 -8.695 23.363 1.00 62.22 O ATOM 1755 CB PHE A 116 8.204 -7.546 20.726 1.00 1.40 C ATOM 1756 CG PHE A 116 7.209 -6.853 19.840 1.00 43.55 C ATOM 1757 CD1 PHE A 116 6.610 -7.528 18.788 1.00 12.44 C ATOM 1758 CD2 PHE A 116 6.873 -5.526 20.058 1.00 62.25 C ATOM 1759 CE1 PHE A 116 5.695 -6.892 17.971 1.00 52.23 C ATOM 1760 CE2 PHE A 116 5.958 -4.885 19.243 1.00 23.24 C ATOM 1761 CZ PHE A 116 5.368 -5.569 18.199 1.00 33.42 C ATOM 0 H PHE A 116 6.747 -7.560 23.086 1.00 0.32 H new ATOM 0 HA PHE A 116 7.223 -9.454 20.859 1.00 2.31 H new ATOM 0 HB2 PHE A 116 8.641 -6.817 21.408 1.00 1.40 H new ATOM 0 HB3 PHE A 116 9.016 -7.935 20.112 1.00 1.40 H new ATOM 0 HD1 PHE A 116 6.861 -8.562 18.605 1.00 12.44 H new ATOM 0 HD2 PHE A 116 7.331 -4.986 20.874 1.00 62.25 H new ATOM 0 HE1 PHE A 116 5.235 -7.429 17.154 1.00 52.23 H new ATOM 0 HE2 PHE A 116 5.705 -3.851 19.423 1.00 23.24 H new ATOM 0 HZ PHE A 116 4.652 -5.071 17.562 1.00 33.42 H new ATOM 1771 N ASP A 117 9.030 -10.564 22.118 1.00 34.21 N ATOM 1772 CA ASP A 117 10.044 -11.280 22.883 1.00 20.02 C ATOM 1773 C ASP A 117 11.439 -10.995 22.335 1.00 21.54 C ATOM 1774 O ASP A 117 11.738 -11.305 21.182 1.00 65.12 O ATOM 1775 CB ASP A 117 9.768 -12.784 22.854 1.00 22.23 C ATOM 1776 CG ASP A 117 8.566 -13.169 23.694 1.00 52.52 C ATOM 1777 OD1 ASP A 117 7.429 -12.862 23.277 1.00 64.20 O ATOM 1778 OD2 ASP A 117 8.761 -13.775 24.768 1.00 2.01 O ATOM 0 H ASP A 117 8.631 -11.096 21.345 1.00 34.21 H new ATOM 0 HA ASP A 117 10.000 -10.931 23.915 1.00 20.02 H new ATOM 0 HB2 ASP A 117 9.604 -13.100 21.824 1.00 22.23 H new ATOM 0 HB3 ASP A 117 10.646 -13.319 23.216 1.00 22.23 H new ATOM 1783 N ILE A 118 12.287 -10.404 23.170 1.00 42.34 N ATOM 1784 CA ILE A 118 13.650 -10.078 22.768 1.00 1.55 C ATOM 1785 C ILE A 118 14.647 -11.077 23.346 1.00 40.42 C ATOM 1786 O ILE A 118 14.668 -11.323 24.552 1.00 1.40 O ATOM 1787 CB ILE A 118 14.045 -8.658 23.217 1.00 34.13 C ATOM 1788 CG1 ILE A 118 12.889 -7.684 22.978 1.00 32.44 C ATOM 1789 CG2 ILE A 118 15.293 -8.197 22.480 1.00 23.53 C ATOM 1790 CD1 ILE A 118 12.476 -7.581 21.527 1.00 72.11 C ATOM 0 H ILE A 118 12.055 -10.141 24.128 1.00 42.34 H new ATOM 0 HA ILE A 118 13.679 -10.127 21.679 1.00 1.55 H new ATOM 0 HB ILE A 118 14.264 -8.679 24.285 1.00 34.13 H new ATOM 0 HG12 ILE A 118 12.030 -8.000 23.570 1.00 32.44 H new ATOM 0 HG13 ILE A 118 13.177 -6.696 23.336 1.00 32.44 H new ATOM 0 HG21 ILE A 118 15.559 -7.192 22.808 1.00 23.53 H new ATOM 0 HG22 ILE A 118 16.116 -8.879 22.696 1.00 23.53 H new ATOM 0 HG23 ILE A 118 15.100 -8.189 21.407 1.00 23.53 H new ATOM 0 HD11 ILE A 118 11.652 -6.873 21.433 1.00 72.11 H new ATOM 0 HD12 ILE A 118 13.321 -7.236 20.932 1.00 72.11 H new ATOM 0 HD13 ILE A 118 12.156 -8.560 21.169 1.00 72.11 H new ATOM 1802 N PHE A 119 15.474 -11.649 22.477 1.00 54.23 N ATOM 1803 CA PHE A 119 16.475 -12.621 22.900 1.00 53.11 C ATOM 1804 C PHE A 119 17.655 -12.643 21.933 1.00 54.25 C ATOM 1805 O PHE A 119 18.304 -13.672 21.752 1.00 42.34 O ATOM 1806 CB PHE A 119 15.853 -14.016 22.996 1.00 43.14 C ATOM 1807 CG PHE A 119 14.830 -14.290 21.931 1.00 32.52 C ATOM 1808 CD1 PHE A 119 15.124 -14.072 20.595 1.00 5.22 C ATOM 1809 CD2 PHE A 119 13.573 -14.767 22.267 1.00 53.21 C ATOM 1810 CE1 PHE A 119 14.185 -14.324 19.613 1.00 10.11 C ATOM 1811 CE2 PHE A 119 12.629 -15.021 21.289 1.00 24.13 C ATOM 1812 CZ PHE A 119 12.935 -14.798 19.961 1.00 64.10 C ATOM 0 H PHE A 119 15.471 -11.456 21.475 1.00 54.23 H new ATOM 0 HA PHE A 119 16.840 -12.325 23.883 1.00 53.11 H new ATOM 0 HB2 PHE A 119 16.644 -14.763 22.930 1.00 43.14 H new ATOM 0 HB3 PHE A 119 15.387 -14.131 23.975 1.00 43.14 H new ATOM 0 HD1 PHE A 119 16.099 -13.700 20.317 1.00 5.22 H new ATOM 0 HD2 PHE A 119 13.328 -14.942 23.304 1.00 53.21 H new ATOM 0 HE1 PHE A 119 14.428 -14.151 18.575 1.00 10.11 H new ATOM 0 HE2 PHE A 119 11.653 -15.393 21.564 1.00 24.13 H new ATOM 0 HZ PHE A 119 12.198 -14.994 19.196 1.00 64.10 H new ATOM 1822 N GLY A 120 17.925 -11.498 21.312 1.00 22.14 N ATOM 1823 CA GLY A 120 19.025 -11.407 20.370 1.00 5.25 C ATOM 1824 C GLY A 120 18.583 -11.632 18.938 1.00 30.34 C ATOM 1825 O GLY A 120 18.267 -12.756 18.549 1.00 11.32 O ATOM 0 H GLY A 120 17.402 -10.633 21.445 1.00 22.14 H new ATOM 0 HA2 GLY A 120 19.490 -10.425 20.453 1.00 5.25 H new ATOM 0 HA3 GLY A 120 19.785 -12.143 20.632 1.00 5.25 H new ATOM 1829 N ASN A 121 18.559 -10.561 18.152 1.00 13.24 N ATOM 1830 CA ASN A 121 18.149 -10.647 16.755 1.00 2.13 C ATOM 1831 C ASN A 121 18.207 -9.277 16.086 1.00 12.12 C ATOM 1832 O ASN A 121 18.565 -9.161 14.915 1.00 72.11 O ATOM 1833 CB ASN A 121 16.734 -11.218 16.651 1.00 32.54 C ATOM 1834 CG ASN A 121 16.609 -12.257 15.553 1.00 32.04 C ATOM 1835 OD1 ASN A 121 17.372 -13.222 15.506 1.00 2.34 O ATOM 1836 ND2 ASN A 121 15.643 -12.063 14.663 1.00 33.32 N ATOM 0 H ASN A 121 18.819 -9.623 18.458 1.00 13.24 H new ATOM 0 HA ASN A 121 18.841 -11.313 16.240 1.00 2.13 H new ATOM 0 HB2 ASN A 121 16.455 -11.666 17.605 1.00 32.54 H new ATOM 0 HB3 ASN A 121 16.031 -10.407 16.462 1.00 32.54 H new ATOM 0 HD21 ASN A 121 15.510 -12.728 13.901 1.00 33.32 H new ATOM 0 HD22 ASN A 121 15.034 -11.249 14.741 1.00 33.32 H new ATOM 1843 N GLY A 122 17.852 -8.241 16.840 1.00 51.41 N ATOM 1844 CA GLY A 122 17.871 -6.892 16.304 1.00 75.35 C ATOM 1845 C GLY A 122 16.500 -6.430 15.851 1.00 50.54 C ATOM 1846 O GLY A 122 15.865 -5.605 16.509 1.00 30.13 O ATOM 0 H GLY A 122 17.552 -8.312 17.812 1.00 51.41 H new ATOM 0 HA2 GLY A 122 18.249 -6.208 17.063 1.00 75.35 H new ATOM 0 HA3 GLY A 122 18.562 -6.848 15.463 1.00 75.35 H new ATOM 1850 N THR A 123 16.041 -6.959 14.721 1.00 64.42 N ATOM 1851 CA THR A 123 14.739 -6.594 14.179 1.00 51.13 C ATOM 1852 C THR A 123 13.663 -7.580 14.620 1.00 44.02 C ATOM 1853 O THR A 123 13.868 -8.794 14.586 1.00 45.44 O ATOM 1854 CB THR A 123 14.767 -6.537 12.640 1.00 50.14 C ATOM 1855 OG1 THR A 123 15.977 -5.914 12.194 1.00 21.14 O ATOM 1856 CG2 THR A 123 13.568 -5.768 12.105 1.00 43.13 C ATOM 0 H THR A 123 16.553 -7.643 14.163 1.00 64.42 H new ATOM 0 HA THR A 123 14.502 -5.604 14.568 1.00 51.13 H new ATOM 0 HB THR A 123 14.723 -7.558 12.260 1.00 50.14 H new ATOM 0 HG1 THR A 123 15.987 -5.883 11.215 1.00 21.14 H new ATOM 0 HG21 THR A 123 13.609 -5.741 11.016 1.00 43.13 H new ATOM 0 HG22 THR A 123 12.649 -6.261 12.421 1.00 43.13 H new ATOM 0 HG23 THR A 123 13.586 -4.750 12.494 1.00 43.13 H new ATOM 1864 N TYR A 124 12.517 -7.052 15.033 1.00 11.31 N ATOM 1865 CA TYR A 124 11.409 -7.886 15.483 1.00 70.22 C ATOM 1866 C TYR A 124 10.078 -7.354 14.960 1.00 45.44 C ATOM 1867 O TYR A 124 9.902 -6.146 14.792 1.00 62.41 O ATOM 1868 CB TYR A 124 11.380 -7.951 17.011 1.00 74.43 C ATOM 1869 CG TYR A 124 12.638 -8.531 17.616 1.00 31.33 C ATOM 1870 CD1 TYR A 124 13.804 -7.780 17.696 1.00 41.13 C ATOM 1871 CD2 TYR A 124 12.661 -9.830 18.108 1.00 21.41 C ATOM 1872 CE1 TYR A 124 14.956 -8.306 18.248 1.00 43.45 C ATOM 1873 CE2 TYR A 124 13.808 -10.364 18.663 1.00 42.21 C ATOM 1874 CZ TYR A 124 14.953 -9.598 18.730 1.00 2.32 C ATOM 1875 OH TYR A 124 16.098 -10.126 19.281 1.00 44.12 O ATOM 0 H TYR A 124 12.331 -6.050 15.066 1.00 11.31 H new ATOM 0 HA TYR A 124 11.559 -8.890 15.086 1.00 70.22 H new ATOM 0 HB2 TYR A 124 11.226 -6.947 17.406 1.00 74.43 H new ATOM 0 HB3 TYR A 124 10.526 -8.551 17.325 1.00 74.43 H new ATOM 0 HD1 TYR A 124 13.810 -6.768 17.320 1.00 41.13 H new ATOM 0 HD2 TYR A 124 11.767 -10.433 18.056 1.00 21.41 H new ATOM 0 HE1 TYR A 124 15.854 -7.709 18.302 1.00 43.45 H new ATOM 0 HE2 TYR A 124 13.808 -11.375 19.042 1.00 42.21 H new ATOM 0 HH TYR A 124 16.370 -9.585 20.051 1.00 44.12 H new ATOM 1885 N HIS A 125 9.144 -8.263 14.704 1.00 73.40 N ATOM 1886 CA HIS A 125 7.827 -7.887 14.201 1.00 45.31 C ATOM 1887 C HIS A 125 6.750 -8.819 14.747 1.00 40.03 C ATOM 1888 O HIS A 125 7.008 -9.974 15.087 1.00 2.42 O ATOM 1889 CB HIS A 125 7.815 -7.914 12.672 1.00 24.13 C ATOM 1890 CG HIS A 125 8.416 -6.693 12.047 1.00 61.14 C ATOM 1891 ND1 HIS A 125 9.709 -6.322 11.892 1.00 0.52 N flip ATOM 1892 CD2 HIS A 125 7.660 -5.683 11.491 1.00 73.42 C flip ATOM 1893 CE1 HIS A 125 9.710 -5.108 11.251 1.00 15.14 C flip ATOM 1894 NE2 HIS A 125 8.462 -4.744 11.020 1.00 1.23 N flip ATOM 0 H HIS A 125 9.274 -9.266 14.836 1.00 73.40 H new ATOM 0 HA HIS A 125 7.611 -6.874 14.541 1.00 45.31 H new ATOM 0 HB2 HIS A 125 8.359 -8.794 12.328 1.00 24.13 H new ATOM 0 HB3 HIS A 125 6.787 -8.020 12.327 1.00 24.13 H new ATOM 0 HD2 HIS A 125 6.581 -5.662 11.447 1.00 73.42 H new ATOM 0 HE1 HIS A 125 10.589 -4.542 10.980 1.00 15.14 H new ATOM 0 HE2 HIS A 125 8.167 -3.884 10.557 1.00 1.23 H new ATOM 1902 N PRO A 126 5.513 -8.308 14.834 1.00 50.15 N ATOM 1903 CA PRO A 126 4.372 -9.078 15.338 1.00 51.24 C ATOM 1904 C PRO A 126 3.952 -10.187 14.379 1.00 22.02 C ATOM 1905 O PRO A 126 3.831 -9.965 13.175 1.00 72.12 O ATOM 1906 CB PRO A 126 3.263 -8.030 15.461 1.00 43.53 C ATOM 1907 CG PRO A 126 3.630 -6.973 14.476 1.00 32.23 C ATOM 1908 CD PRO A 126 5.133 -6.939 14.446 1.00 72.13 C ATOM 0 HA PRO A 126 4.604 -9.585 16.275 1.00 51.24 H new ATOM 0 HB2 PRO A 126 2.286 -8.459 15.236 1.00 43.53 H new ATOM 0 HB3 PRO A 126 3.209 -7.627 16.472 1.00 43.53 H new ATOM 0 HG2 PRO A 126 3.225 -7.201 13.490 1.00 32.23 H new ATOM 0 HG3 PRO A 126 3.224 -6.006 14.772 1.00 32.23 H new ATOM 0 HD2 PRO A 126 5.509 -6.683 13.456 1.00 72.13 H new ATOM 0 HD3 PRO A 126 5.532 -6.199 15.140 1.00 72.13 H new ATOM 1916 N GLN A 127 3.732 -11.380 14.922 1.00 12.01 N ATOM 1917 CA GLN A 127 3.326 -12.523 14.114 1.00 72.55 C ATOM 1918 C GLN A 127 1.806 -12.629 14.044 1.00 50.43 C ATOM 1919 O GLN A 127 1.235 -13.696 14.270 1.00 22.14 O ATOM 1920 CB GLN A 127 3.912 -13.814 14.687 1.00 24.52 C ATOM 1921 CG GLN A 127 5.431 -13.868 14.637 1.00 12.31 C ATOM 1922 CD GLN A 127 5.969 -15.282 14.734 1.00 13.31 C ATOM 1923 OE1 GLN A 127 5.207 -16.241 14.863 1.00 10.53 O ATOM 1924 NE2 GLN A 127 7.288 -15.419 14.672 1.00 60.11 N ATOM 0 H GLN A 127 3.828 -11.580 15.918 1.00 12.01 H new ATOM 0 HA GLN A 127 3.709 -12.375 13.104 1.00 72.55 H new ATOM 0 HB2 GLN A 127 3.587 -13.923 15.722 1.00 24.52 H new ATOM 0 HB3 GLN A 127 3.508 -14.663 14.135 1.00 24.52 H new ATOM 0 HG2 GLN A 127 5.776 -13.415 13.708 1.00 12.31 H new ATOM 0 HG3 GLN A 127 5.839 -13.272 15.453 1.00 12.31 H new ATOM 0 HE21 GLN A 127 7.882 -14.597 14.565 1.00 60.11 H new ATOM 0 HE22 GLN A 127 7.708 -16.347 14.732 1.00 60.11 H new ATOM 1933 N THR A 128 1.154 -11.513 13.729 1.00 62.42 N ATOM 1934 CA THR A 128 -0.299 -11.479 13.631 1.00 74.54 C ATOM 1935 C THR A 128 -0.756 -11.606 12.182 1.00 42.04 C ATOM 1936 O THR A 128 -1.404 -12.584 11.807 1.00 3.21 O ATOM 1937 CB THR A 128 -0.873 -10.179 14.226 1.00 65.52 C ATOM 1938 OG1 THR A 128 -0.252 -9.902 15.486 1.00 23.31 O ATOM 1939 CG2 THR A 128 -2.379 -10.286 14.409 1.00 22.34 C ATOM 0 H THR A 128 1.611 -10.621 13.538 1.00 62.42 H new ATOM 0 HA THR A 128 -0.673 -12.328 14.203 1.00 74.54 H new ATOM 0 HB THR A 128 -0.665 -9.365 13.532 1.00 65.52 H new ATOM 0 HG1 THR A 128 -0.621 -9.073 15.857 1.00 23.31 H new ATOM 0 HG21 THR A 128 -2.761 -9.356 14.830 1.00 22.34 H new ATOM 0 HG22 THR A 128 -2.851 -10.468 13.443 1.00 22.34 H new ATOM 0 HG23 THR A 128 -2.606 -11.111 15.085 1.00 22.34 H new