USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 969 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 56 ASN :FLIP amide:sc= -4.3! C(o=-5.8!,f=-5!) USER MOD Set 1.2: A 128 GLN : amide:sc= -0.665 K(o=-5,f=-8.2!) USER MOD Set 2.1: A 27 THR OG1 : rot 92:sc= -0.843! USER MOD Set 2.2: A 28 SER OG : rot 124:sc= -5.32! USER MOD Single : A 12 HIS : no HE2:sc= -5.55! C(o=-5.6!,f=-7.4!) USER MOD Single : A 13 THR OG1 : rot -58:sc= 0.253 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -2.17 USER MOD Single : A 37 MET CE :methyl 166:sc= -0.771 (180deg=-1.43) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.635 F(o=-1.5!,f=-0.63) USER MOD Single : A 47 ASN :FLIP amide:sc= -8.65! C(o=-12!,f=-8.6!) USER MOD Single : A 55 TYR OH : rot 30:sc= -1.08 USER MOD Single : A 65 SER OG : rot -98:sc= -2.93! USER MOD Single : A 66 TYR OH : rot 146:sc= -1.5 USER MOD Single : A 69 SER OG : rot 55:sc= 0.037 USER MOD Single : A 71 THR OG1 : rot 35:sc= -6.51! USER MOD Single : A 73 SER OG : rot 22:sc= -0.786! USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 78 MET CE :methyl -163:sc= -3.43! (180deg=-4.72!) USER MOD Single : A 93 THR OG1 : rot 97:sc= 0.00867! USER MOD Single : A 97 GLN : amide:sc= -3.92! C(o=-3.9!,f=-10!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 32:sc= 1.54! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : A 111 TYR OH : rot 150:sc= -1.23 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 119:sc= -6.14! USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=0.0025) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 132 HIS : no HD1:sc= -8.04! C(o=-8!,f=-8.5!) USER MOD Single : A 135 LYS NZ :NH3+ -124:sc= -0.0755 (180deg=-2.04!) USER MOD Single : A 139 TYR OH : rot -160:sc= -4.59! USER MOD Single : A 144 SER OG : rot 180:sc= -0.87 USER MOD Single : A 145 GLN :FLIP amide:sc= -3.44! C(o=-4.7!,f=-3.4!) USER MOD Single : A 147 SER OG : rot 6:sc= -3.01! USER MOD Single : A 149 THR OG1 : rot 99:sc= 0.381 USER MOD Single : A 150 THR OG1 : rot 135:sc= -1.48! USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -11.487 -9.708 -9.499 1.00 2.11 N ATOM 82 CA VAL A 7 -12.177 -8.666 -10.310 1.00 2.12 C ATOM 83 C VAL A 7 -11.193 -7.541 -10.635 1.00 2.11 C ATOM 84 O VAL A 7 -11.132 -6.539 -9.951 1.00 2.83 O ATOM 85 CB VAL A 7 -13.356 -8.100 -9.519 1.00 2.16 C ATOM 86 CG1 VAL A 7 -14.192 -7.194 -10.425 1.00 2.17 C ATOM 87 CG2 VAL A 7 -14.225 -9.251 -9.008 1.00 2.42 C ATOM 0 HA VAL A 7 -12.542 -9.109 -11.236 1.00 2.12 H new ATOM 0 HB VAL A 7 -12.982 -7.522 -8.674 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -15.033 -6.791 -9.860 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -13.573 -6.374 -10.790 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -14.566 -7.771 -11.271 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -15.066 -8.849 -8.444 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -14.598 -9.828 -9.854 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -13.630 -9.897 -8.362 1.00 2.42 H new ATOM 97 N GLU A 8 -10.419 -7.698 -11.674 1.00 1.96 N ATOM 98 CA GLU A 8 -9.438 -6.638 -12.042 1.00 2.32 C ATOM 99 C GLU A 8 -10.186 -5.369 -12.458 1.00 2.30 C ATOM 100 O GLU A 8 -10.811 -5.319 -13.498 1.00 2.59 O ATOM 101 CB GLU A 8 -8.574 -7.125 -13.206 1.00 3.06 C ATOM 102 CG GLU A 8 -7.518 -6.068 -13.537 1.00 3.55 C ATOM 103 CD GLU A 8 -6.298 -6.264 -12.634 1.00 4.20 C ATOM 104 OE1 GLU A 8 -6.454 -6.867 -11.585 1.00 4.75 O ATOM 105 OE2 GLU A 8 -5.230 -5.808 -13.007 1.00 4.42 O ATOM 0 H GLU A 8 -10.424 -8.515 -12.284 1.00 1.96 H new ATOM 0 HA GLU A 8 -8.803 -6.419 -11.184 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -8.091 -8.067 -12.945 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -9.197 -7.317 -14.079 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -7.225 -6.147 -14.584 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -7.931 -5.069 -13.396 1.00 3.55 H new ATOM 112 N LEU A 9 -10.123 -4.343 -11.653 1.00 2.76 N ATOM 113 CA LEU A 9 -10.827 -3.077 -12.004 1.00 3.48 C ATOM 114 C LEU A 9 -9.985 -2.292 -13.012 1.00 3.43 C ATOM 115 O LEU A 9 -10.505 -1.601 -13.866 1.00 4.12 O ATOM 116 CB LEU A 9 -11.025 -2.240 -10.739 1.00 3.72 C ATOM 117 CG LEU A 9 -12.361 -2.601 -10.090 1.00 4.22 C ATOM 118 CD1 LEU A 9 -12.194 -2.647 -8.570 1.00 4.95 C ATOM 119 CD2 LEU A 9 -13.407 -1.545 -10.455 1.00 3.49 C ATOM 0 H LEU A 9 -9.615 -4.327 -10.769 1.00 2.76 H new ATOM 0 HA LEU A 9 -11.798 -3.306 -12.443 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -10.209 -2.421 -10.040 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.004 -1.179 -10.986 1.00 3.72 H new ATOM 0 HG LEU A 9 -12.687 -3.577 -10.450 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -13.147 -2.904 -8.107 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -11.449 -3.398 -8.308 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -11.868 -1.671 -8.210 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -14.360 -1.802 -9.993 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -13.080 -0.569 -10.095 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -13.527 -1.511 -11.538 1.00 3.49 H new ATOM 131 N LEU A 10 -8.688 -2.394 -12.919 1.00 2.81 N ATOM 132 CA LEU A 10 -7.810 -1.656 -13.871 1.00 2.72 C ATOM 133 C LEU A 10 -7.080 -2.665 -14.764 1.00 2.86 C ATOM 134 O LEU A 10 -6.057 -3.204 -14.391 1.00 2.83 O ATOM 135 CB LEU A 10 -6.787 -0.835 -13.079 1.00 2.41 C ATOM 136 CG LEU A 10 -6.180 0.264 -13.959 1.00 2.12 C ATOM 137 CD1 LEU A 10 -4.861 0.726 -13.339 1.00 1.99 C ATOM 138 CD2 LEU A 10 -5.902 -0.267 -15.368 1.00 2.07 C ATOM 0 H LEU A 10 -8.197 -2.957 -12.224 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.410 -0.989 -14.490 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -7.267 -0.388 -12.209 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -5.998 -1.488 -12.707 1.00 2.41 H new ATOM 0 HG LEU A 10 -6.885 1.092 -14.023 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -4.422 1.508 -13.959 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -5.046 1.117 -12.339 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.173 -0.117 -13.277 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -5.471 0.527 -15.978 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -5.202 -1.101 -15.311 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -6.834 -0.606 -15.820 1.00 2.07 H new ATOM 150 N PRO A 11 -7.604 -2.920 -15.933 1.00 3.10 N ATOM 151 CA PRO A 11 -6.997 -3.882 -16.900 1.00 3.32 C ATOM 152 C PRO A 11 -5.535 -3.555 -17.227 1.00 2.96 C ATOM 153 O PRO A 11 -5.099 -3.690 -18.352 1.00 3.09 O ATOM 154 CB PRO A 11 -7.861 -3.748 -18.157 1.00 3.83 C ATOM 155 CG PRO A 11 -9.156 -3.166 -17.695 1.00 3.73 C ATOM 156 CD PRO A 11 -8.840 -2.321 -16.462 1.00 3.29 C ATOM 0 HA PRO A 11 -6.978 -4.891 -16.487 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.383 -3.103 -18.894 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -8.014 -4.717 -18.632 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -9.608 -2.556 -18.477 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -9.870 -3.953 -17.453 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.697 -1.272 -16.722 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.648 -2.361 -15.732 1.00 3.29 H new ATOM 164 N HIS A 12 -4.770 -3.135 -16.255 1.00 2.52 N ATOM 165 CA HIS A 12 -3.338 -2.813 -16.521 1.00 2.16 C ATOM 166 C HIS A 12 -2.460 -3.523 -15.490 1.00 1.83 C ATOM 167 O HIS A 12 -2.708 -3.463 -14.302 1.00 1.69 O ATOM 168 CB HIS A 12 -3.114 -1.303 -16.421 1.00 2.13 C ATOM 169 CG HIS A 12 -1.782 -0.951 -17.025 1.00 1.93 C ATOM 170 ND1 HIS A 12 -1.377 -1.436 -18.258 1.00 1.98 N ATOM 171 CD2 HIS A 12 -0.751 -0.163 -16.575 1.00 1.81 C ATOM 172 CE1 HIS A 12 -0.152 -0.940 -18.507 1.00 1.94 C ATOM 173 NE2 HIS A 12 0.277 -0.159 -17.513 1.00 1.82 N ATOM 0 H HIS A 12 -5.074 -3.001 -15.291 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.076 -3.148 -17.525 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -3.912 -0.771 -16.939 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.147 -0.988 -15.378 1.00 2.13 H new ATOM 0 HD1 HIS A 12 -1.911 -2.057 -18.866 1.00 1.98 H new ATOM 0 HD2 HIS A 12 -0.740 0.372 -15.637 1.00 1.81 H new ATOM 0 HE1 HIS A 12 0.415 -1.148 -19.402 1.00 1.94 H new ATOM 181 N THR A 13 -1.431 -4.193 -15.933 1.00 1.82 N ATOM 182 CA THR A 13 -0.539 -4.905 -14.976 1.00 1.56 C ATOM 183 C THR A 13 0.708 -5.396 -15.715 1.00 1.39 C ATOM 184 O THR A 13 1.022 -6.569 -15.709 1.00 1.58 O ATOM 185 CB THR A 13 -1.282 -6.101 -14.378 1.00 1.72 C ATOM 186 OG1 THR A 13 -0.340 -7.066 -13.930 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.188 -6.725 -15.441 1.00 1.97 C ATOM 0 H THR A 13 -1.170 -4.278 -16.915 1.00 1.82 H new ATOM 0 HA THR A 13 -0.245 -4.225 -14.176 1.00 1.56 H new ATOM 0 HB THR A 13 -1.890 -5.768 -13.537 1.00 1.72 H new ATOM 0 HG1 THR A 13 0.225 -7.345 -14.681 1.00 1.59 H new ATOM 0 HG21 THR A 13 -2.717 -7.577 -15.014 1.00 1.97 H new ATOM 0 HG22 THR A 13 -2.910 -5.984 -15.784 1.00 1.97 H new ATOM 0 HG23 THR A 13 -1.583 -7.059 -16.284 1.00 1.97 H new ATOM 195 N SER A 14 1.420 -4.508 -16.353 1.00 1.20 N ATOM 196 CA SER A 14 2.644 -4.928 -17.091 1.00 1.07 C ATOM 197 C SER A 14 3.567 -3.723 -17.288 1.00 1.04 C ATOM 198 O SER A 14 3.757 -3.250 -18.391 1.00 1.10 O ATOM 199 CB SER A 14 2.246 -5.493 -18.455 1.00 1.14 C ATOM 200 OG SER A 14 3.349 -6.194 -19.012 1.00 1.96 O ATOM 0 H SER A 14 1.207 -3.511 -16.395 1.00 1.20 H new ATOM 0 HA SER A 14 3.167 -5.693 -16.517 1.00 1.07 H new ATOM 0 HB2 SER A 14 1.391 -6.161 -18.349 1.00 1.14 H new ATOM 0 HB3 SER A 14 1.939 -4.686 -19.121 1.00 1.14 H new ATOM 0 HG SER A 14 3.097 -6.559 -19.886 1.00 1.96 H new ATOM 206 N PHE A 15 4.145 -3.223 -16.230 1.00 1.01 N ATOM 207 CA PHE A 15 5.057 -2.053 -16.363 1.00 1.00 C ATOM 208 C PHE A 15 6.287 -2.471 -17.173 1.00 1.00 C ATOM 209 O PHE A 15 7.388 -2.018 -16.928 1.00 0.98 O ATOM 210 CB PHE A 15 5.499 -1.586 -14.974 1.00 0.98 C ATOM 211 CG PHE A 15 4.429 -0.717 -14.353 1.00 0.88 C ATOM 212 CD1 PHE A 15 3.095 -0.833 -14.764 1.00 1.74 C ATOM 213 CD2 PHE A 15 4.775 0.206 -13.357 1.00 1.11 C ATOM 214 CE1 PHE A 15 2.109 -0.027 -14.181 1.00 1.76 C ATOM 215 CE2 PHE A 15 3.789 1.011 -12.774 1.00 1.14 C ATOM 216 CZ PHE A 15 2.456 0.894 -13.186 1.00 0.95 C ATOM 0 H PHE A 15 4.025 -3.574 -15.280 1.00 1.01 H new ATOM 0 HA PHE A 15 4.538 -1.239 -16.869 1.00 1.00 H new ATOM 0 HB2 PHE A 15 5.693 -2.449 -14.337 1.00 0.98 H new ATOM 0 HB3 PHE A 15 6.433 -1.029 -15.049 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.827 -1.544 -15.531 1.00 1.74 H new ATOM 0 HD2 PHE A 15 5.803 0.296 -13.039 1.00 1.11 H new ATOM 0 HE1 PHE A 15 1.081 -0.116 -14.499 1.00 1.76 H new ATOM 0 HE2 PHE A 15 4.057 1.722 -12.007 1.00 1.14 H new ATOM 0 HZ PHE A 15 1.695 1.515 -12.736 1.00 0.95 H new ATOM 226 N ALA A 16 6.109 -3.338 -18.133 1.00 1.06 N ATOM 227 CA ALA A 16 7.265 -3.794 -18.955 1.00 1.09 C ATOM 228 C ALA A 16 7.564 -2.765 -20.047 1.00 1.10 C ATOM 229 O ALA A 16 8.698 -2.569 -20.433 1.00 1.18 O ATOM 230 CB ALA A 16 6.927 -5.139 -19.602 1.00 1.14 C ATOM 0 H ALA A 16 5.210 -3.751 -18.383 1.00 1.06 H new ATOM 0 HA ALA A 16 8.141 -3.903 -18.316 1.00 1.09 H new ATOM 0 HB1 ALA A 16 7.771 -5.475 -20.204 1.00 1.14 H new ATOM 0 HB2 ALA A 16 6.720 -5.875 -18.825 1.00 1.14 H new ATOM 0 HB3 ALA A 16 6.049 -5.026 -20.238 1.00 1.14 H new ATOM 236 N GLU A 17 6.556 -2.111 -20.555 1.00 1.15 N ATOM 237 CA GLU A 17 6.788 -1.102 -21.624 1.00 1.19 C ATOM 238 C GLU A 17 6.538 0.301 -21.067 1.00 1.29 C ATOM 239 O GLU A 17 7.453 1.080 -20.891 1.00 1.41 O ATOM 240 CB GLU A 17 5.827 -1.369 -22.784 1.00 1.32 C ATOM 241 CG GLU A 17 6.486 -2.320 -23.785 1.00 1.41 C ATOM 242 CD GLU A 17 7.731 -1.657 -24.377 1.00 1.67 C ATOM 243 OE1 GLU A 17 7.575 -0.834 -25.263 1.00 2.13 O ATOM 244 OE2 GLU A 17 8.820 -1.983 -23.934 1.00 1.96 O ATOM 0 H GLU A 17 5.583 -2.232 -20.276 1.00 1.15 H new ATOM 0 HA GLU A 17 7.817 -1.172 -21.976 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.900 -1.804 -22.410 1.00 1.32 H new ATOM 0 HB3 GLU A 17 5.564 -0.432 -23.275 1.00 1.32 H new ATOM 0 HG2 GLU A 17 6.758 -3.253 -23.291 1.00 1.41 H new ATOM 0 HG3 GLU A 17 5.783 -2.573 -24.579 1.00 1.41 H new ATOM 251 N SER A 18 5.306 0.630 -20.791 1.00 1.41 N ATOM 252 CA SER A 18 5.002 1.982 -20.247 1.00 1.64 C ATOM 253 C SER A 18 4.635 1.865 -18.766 1.00 1.51 C ATOM 254 O SER A 18 4.011 0.911 -18.345 1.00 1.30 O ATOM 255 CB SER A 18 3.828 2.591 -21.015 1.00 2.02 C ATOM 256 OG SER A 18 4.249 2.921 -22.331 1.00 2.26 O ATOM 0 H SER A 18 4.498 0.021 -20.919 1.00 1.41 H new ATOM 0 HA SER A 18 5.878 2.621 -20.356 1.00 1.64 H new ATOM 0 HB2 SER A 18 2.998 1.886 -21.052 1.00 2.02 H new ATOM 0 HB3 SER A 18 3.466 3.482 -20.502 1.00 2.02 H new ATOM 0 HG SER A 18 3.498 3.310 -22.827 1.00 2.26 H new ATOM 262 N LEU A 19 5.020 2.826 -17.973 1.00 1.67 N ATOM 263 CA LEU A 19 4.694 2.765 -16.519 1.00 1.59 C ATOM 264 C LEU A 19 3.174 2.768 -16.330 1.00 1.72 C ATOM 265 O LEU A 19 2.675 2.936 -15.236 1.00 2.45 O ATOM 266 CB LEU A 19 5.307 3.969 -15.796 1.00 1.61 C ATOM 267 CG LEU A 19 5.155 5.231 -16.649 1.00 1.71 C ATOM 268 CD1 LEU A 19 3.672 5.564 -16.812 1.00 2.60 C ATOM 269 CD2 LEU A 19 5.864 6.397 -15.957 1.00 1.37 C ATOM 0 H LEU A 19 5.545 3.650 -18.267 1.00 1.67 H new ATOM 0 HA LEU A 19 5.108 1.848 -16.099 1.00 1.59 H new ATOM 0 HB2 LEU A 19 4.818 4.111 -14.832 1.00 1.61 H new ATOM 0 HB3 LEU A 19 6.362 3.783 -15.594 1.00 1.61 H new ATOM 0 HG LEU A 19 5.598 5.062 -17.630 1.00 1.71 H new ATOM 0 HD11 LEU A 19 3.566 6.463 -17.420 1.00 2.60 H new ATOM 0 HD12 LEU A 19 3.164 4.733 -17.301 1.00 2.60 H new ATOM 0 HD13 LEU A 19 3.227 5.734 -15.831 1.00 2.60 H new ATOM 0 HD21 LEU A 19 5.758 7.298 -16.562 1.00 1.37 H new ATOM 0 HD22 LEU A 19 5.418 6.564 -14.976 1.00 1.37 H new ATOM 0 HD23 LEU A 19 6.922 6.161 -15.839 1.00 1.37 H new ATOM 281 N GLY A 20 2.434 2.574 -17.389 1.00 1.44 N ATOM 282 CA GLY A 20 0.946 2.556 -17.270 1.00 1.58 C ATOM 283 C GLY A 20 0.440 3.945 -16.873 1.00 1.59 C ATOM 284 O GLY A 20 1.211 4.855 -16.650 1.00 1.62 O ATOM 0 H GLY A 20 2.795 2.427 -18.332 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.500 2.254 -18.218 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.641 1.821 -16.525 1.00 1.58 H new ATOM 288 N PRO A 21 -0.853 4.098 -16.787 1.00 1.60 N ATOM 289 CA PRO A 21 -1.487 5.393 -16.409 1.00 1.60 C ATOM 290 C PRO A 21 -1.336 5.697 -14.917 1.00 1.43 C ATOM 291 O PRO A 21 -1.953 6.603 -14.393 1.00 1.67 O ATOM 292 CB PRO A 21 -2.961 5.194 -16.767 1.00 1.68 C ATOM 293 CG PRO A 21 -3.189 3.720 -16.706 1.00 1.70 C ATOM 294 CD PRO A 21 -1.855 3.050 -17.040 1.00 1.63 C ATOM 0 HA PRO A 21 -1.024 6.236 -16.922 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.610 5.721 -16.067 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.180 5.585 -17.761 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.533 3.423 -15.715 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -3.961 3.419 -17.415 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.682 2.174 -16.415 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -1.827 2.713 -18.076 1.00 1.63 H new ATOM 302 N TRP A 22 -0.519 4.947 -14.229 1.00 1.30 N ATOM 303 CA TRP A 22 -0.330 5.194 -12.772 1.00 1.15 C ATOM 304 C TRP A 22 0.525 6.448 -12.573 1.00 1.24 C ATOM 305 O TRP A 22 0.856 7.143 -13.513 1.00 1.48 O ATOM 306 CB TRP A 22 0.377 3.993 -12.137 1.00 1.19 C ATOM 307 CG TRP A 22 -0.614 2.897 -11.898 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.632 2.575 -12.730 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.701 1.978 -10.770 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.335 1.517 -12.185 1.00 1.52 N ATOM 311 CE2 TRP A 22 -1.803 1.112 -10.978 1.00 1.59 C ATOM 312 CE3 TRP A 22 0.059 1.812 -9.599 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.137 0.118 -10.056 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.274 0.814 -8.669 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.369 -0.032 -8.897 1.00 2.39 C ATOM 0 H TRP A 22 0.025 4.174 -14.613 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.302 5.336 -12.300 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.174 3.640 -12.791 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.843 4.288 -11.197 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.858 3.064 -13.666 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.150 1.087 -12.623 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.905 2.457 -9.413 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -2.982 -0.530 -10.237 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 0.317 0.697 -7.773 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -1.619 -0.798 -8.178 1.00 2.39 H new ATOM 326 N SER A 23 0.884 6.740 -11.353 1.00 1.20 N ATOM 327 CA SER A 23 1.719 7.946 -11.084 1.00 1.36 C ATOM 328 C SER A 23 3.060 7.510 -10.490 1.00 1.28 C ATOM 329 O SER A 23 3.136 6.543 -9.759 1.00 1.33 O ATOM 330 CB SER A 23 0.984 8.854 -10.097 1.00 1.45 C ATOM 331 OG SER A 23 0.183 9.781 -10.817 1.00 1.64 O ATOM 0 H SER A 23 0.635 6.194 -10.528 1.00 1.20 H new ATOM 0 HA SER A 23 1.897 8.490 -12.012 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.360 8.257 -9.432 1.00 1.45 H new ATOM 0 HB3 SER A 23 1.701 9.385 -9.471 1.00 1.45 H new ATOM 0 HG SER A 23 -0.290 10.363 -10.187 1.00 1.64 H new ATOM 337 N LEU A 24 4.120 8.209 -10.798 1.00 1.31 N ATOM 338 CA LEU A 24 5.448 7.814 -10.246 1.00 1.25 C ATOM 339 C LEU A 24 6.356 9.037 -10.115 1.00 1.30 C ATOM 340 O LEU A 24 6.338 9.932 -10.936 1.00 1.47 O ATOM 341 CB LEU A 24 6.105 6.795 -11.180 1.00 1.40 C ATOM 342 CG LEU A 24 7.267 6.107 -10.459 1.00 1.44 C ATOM 343 CD1 LEU A 24 7.372 4.656 -10.932 1.00 2.02 C ATOM 344 CD2 LEU A 24 8.571 6.841 -10.779 1.00 2.05 C ATOM 0 H LEU A 24 4.124 9.030 -11.403 1.00 1.31 H new ATOM 0 HA LEU A 24 5.302 7.374 -9.260 1.00 1.25 H new ATOM 0 HB2 LEU A 24 5.372 6.054 -11.498 1.00 1.40 H new ATOM 0 HB3 LEU A 24 6.466 7.293 -12.080 1.00 1.40 H new ATOM 0 HG LEU A 24 7.091 6.128 -9.383 1.00 1.44 H new ATOM 0 HD11 LEU A 24 8.199 4.165 -10.419 1.00 2.02 H new ATOM 0 HD12 LEU A 24 6.443 4.132 -10.707 1.00 2.02 H new ATOM 0 HD13 LEU A 24 7.549 4.636 -12.007 1.00 2.02 H new ATOM 0 HD21 LEU A 24 9.399 6.352 -10.266 1.00 2.05 H new ATOM 0 HD22 LEU A 24 8.746 6.819 -11.855 1.00 2.05 H new ATOM 0 HD23 LEU A 24 8.498 7.876 -10.445 1.00 2.05 H new ATOM 356 N TYR A 25 7.158 9.069 -9.087 1.00 1.23 N ATOM 357 CA TYR A 25 8.085 10.219 -8.891 1.00 1.38 C ATOM 358 C TYR A 25 8.652 10.181 -7.470 1.00 1.34 C ATOM 359 O TYR A 25 8.278 9.353 -6.662 1.00 1.42 O ATOM 360 CB TYR A 25 7.334 11.535 -9.107 1.00 1.72 C ATOM 361 CG TYR A 25 5.872 11.353 -8.776 1.00 1.09 C ATOM 362 CD1 TYR A 25 5.484 10.472 -7.759 1.00 1.62 C ATOM 363 CD2 TYR A 25 4.903 12.071 -9.486 1.00 1.22 C ATOM 364 CE1 TYR A 25 4.128 10.309 -7.453 1.00 1.57 C ATOM 365 CE2 TYR A 25 3.546 11.908 -9.180 1.00 1.27 C ATOM 366 CZ TYR A 25 3.159 11.027 -8.164 1.00 1.08 C ATOM 367 OH TYR A 25 1.822 10.869 -7.862 1.00 1.63 O ATOM 0 H TYR A 25 7.211 8.345 -8.371 1.00 1.23 H new ATOM 0 HA TYR A 25 8.900 10.150 -9.611 1.00 1.38 H new ATOM 0 HB2 TYR A 25 7.763 12.316 -8.479 1.00 1.72 H new ATOM 0 HB3 TYR A 25 7.444 11.861 -10.141 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.231 9.918 -7.211 1.00 1.62 H new ATOM 0 HD2 TYR A 25 5.202 12.751 -10.270 1.00 1.22 H new ATOM 0 HE1 TYR A 25 3.829 9.629 -6.669 1.00 1.57 H new ATOM 0 HE2 TYR A 25 2.798 12.462 -9.728 1.00 1.27 H new ATOM 0 HH TYR A 25 1.284 11.441 -8.449 1.00 1.63 H new ATOM 377 N GLY A 26 9.553 11.072 -7.156 1.00 1.33 N ATOM 378 CA GLY A 26 10.139 11.087 -5.786 1.00 1.32 C ATOM 379 C GLY A 26 11.369 10.179 -5.734 1.00 1.25 C ATOM 380 O GLY A 26 12.233 10.342 -4.894 1.00 1.70 O ATOM 0 H GLY A 26 9.908 11.789 -7.788 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.416 12.105 -5.511 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.398 10.751 -5.061 1.00 1.32 H new ATOM 384 N THR A 27 11.461 9.224 -6.618 1.00 0.93 N ATOM 385 CA THR A 27 12.643 8.315 -6.601 1.00 0.90 C ATOM 386 C THR A 27 13.524 8.606 -7.819 1.00 0.92 C ATOM 387 O THR A 27 13.670 9.739 -8.234 1.00 0.97 O ATOM 388 CB THR A 27 12.149 6.859 -6.629 1.00 0.88 C ATOM 389 OG1 THR A 27 12.974 6.066 -7.470 1.00 0.73 O ATOM 390 CG2 THR A 27 10.710 6.820 -7.147 1.00 0.95 C ATOM 0 H THR A 27 10.774 9.034 -7.347 1.00 0.93 H new ATOM 0 HA THR A 27 13.232 8.476 -5.698 1.00 0.90 H new ATOM 0 HB THR A 27 12.192 6.457 -5.617 1.00 0.88 H new ATOM 0 HG1 THR A 27 13.695 5.667 -6.939 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.358 5.788 -7.167 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.070 7.408 -6.489 1.00 0.95 H new ATOM 0 HG23 THR A 27 10.674 7.235 -8.154 1.00 0.95 H new ATOM 398 N SER A 28 14.103 7.595 -8.399 1.00 1.12 N ATOM 399 CA SER A 28 14.965 7.807 -9.595 1.00 1.40 C ATOM 400 C SER A 28 14.115 7.670 -10.859 1.00 1.29 C ATOM 401 O SER A 28 12.902 7.692 -10.807 1.00 0.98 O ATOM 402 CB SER A 28 16.079 6.759 -9.613 1.00 1.80 C ATOM 403 OG SER A 28 15.541 5.496 -9.246 1.00 1.73 O ATOM 0 H SER A 28 14.017 6.625 -8.095 1.00 1.12 H new ATOM 0 HA SER A 28 15.406 8.803 -9.557 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.525 6.703 -10.606 1.00 1.80 H new ATOM 0 HB3 SER A 28 16.873 7.044 -8.923 1.00 1.80 H new ATOM 0 HG SER A 28 15.729 4.843 -9.952 1.00 1.73 H new ATOM 409 N GLU A 29 14.743 7.517 -11.992 1.00 1.62 N ATOM 410 CA GLU A 29 13.969 7.364 -13.255 1.00 1.60 C ATOM 411 C GLU A 29 13.698 5.874 -13.490 1.00 1.23 C ATOM 412 O GLU A 29 14.607 5.113 -13.757 1.00 1.37 O ATOM 413 CB GLU A 29 14.786 7.922 -14.422 1.00 2.07 C ATOM 414 CG GLU A 29 13.905 8.004 -15.670 1.00 1.86 C ATOM 415 CD GLU A 29 14.091 6.740 -16.512 1.00 1.99 C ATOM 416 OE1 GLU A 29 14.685 5.800 -16.009 1.00 2.35 O ATOM 417 OE2 GLU A 29 13.636 6.735 -17.643 1.00 2.40 O ATOM 0 H GLU A 29 15.757 7.491 -12.097 1.00 1.62 H new ATOM 0 HA GLU A 29 13.026 7.907 -13.182 1.00 1.60 H new ATOM 0 HB2 GLU A 29 15.171 8.910 -14.170 1.00 2.07 H new ATOM 0 HB3 GLU A 29 15.648 7.283 -14.614 1.00 2.07 H new ATOM 0 HG2 GLU A 29 12.859 8.111 -15.383 1.00 1.86 H new ATOM 0 HG3 GLU A 29 14.167 8.885 -16.255 1.00 1.86 H new ATOM 424 N PRO A 30 12.464 5.450 -13.385 1.00 0.95 N ATOM 425 CA PRO A 30 12.095 4.021 -13.586 1.00 0.81 C ATOM 426 C PRO A 30 12.803 3.411 -14.797 1.00 0.80 C ATOM 427 O PRO A 30 13.072 4.082 -15.772 1.00 0.86 O ATOM 428 CB PRO A 30 10.585 4.067 -13.811 1.00 0.94 C ATOM 429 CG PRO A 30 10.116 5.286 -13.089 1.00 1.13 C ATOM 430 CD PRO A 30 11.285 6.275 -13.072 1.00 1.10 C ATOM 0 HA PRO A 30 12.388 3.399 -12.740 1.00 0.81 H new ATOM 0 HB2 PRO A 30 10.347 4.123 -14.873 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.102 3.170 -13.423 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.250 5.721 -13.589 1.00 1.13 H new ATOM 0 HG3 PRO A 30 9.806 5.038 -12.074 1.00 1.13 H new ATOM 0 HD2 PRO A 30 11.147 7.067 -13.808 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.384 6.757 -12.100 1.00 1.10 H new ATOM 438 N VAL A 31 13.113 2.144 -14.741 1.00 0.80 N ATOM 439 CA VAL A 31 13.810 1.504 -15.891 1.00 0.82 C ATOM 440 C VAL A 31 13.085 0.216 -16.287 1.00 0.78 C ATOM 441 O VAL A 31 13.321 -0.835 -15.726 1.00 0.84 O ATOM 442 CB VAL A 31 15.249 1.175 -15.495 1.00 0.92 C ATOM 443 CG1 VAL A 31 16.075 0.898 -16.751 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.853 2.362 -14.741 1.00 1.05 C ATOM 0 H VAL A 31 12.915 1.528 -13.953 1.00 0.80 H new ATOM 0 HA VAL A 31 13.810 2.191 -16.737 1.00 0.82 H new ATOM 0 HB VAL A 31 15.256 0.293 -14.854 1.00 0.92 H new ATOM 0 HG11 VAL A 31 17.101 0.664 -16.467 1.00 0.99 H new ATOM 0 HG12 VAL A 31 15.646 0.054 -17.290 1.00 0.99 H new ATOM 0 HG13 VAL A 31 16.068 1.779 -17.393 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.879 2.129 -14.458 1.00 1.05 H new ATOM 0 HG22 VAL A 31 15.845 3.243 -15.383 1.00 1.05 H new ATOM 0 HG23 VAL A 31 15.266 2.561 -13.845 1.00 1.05 H new ATOM 454 N PHE A 32 12.213 0.292 -17.259 1.00 0.74 N ATOM 455 CA PHE A 32 11.481 -0.926 -17.710 1.00 0.77 C ATOM 456 C PHE A 32 12.389 -1.760 -18.615 1.00 0.87 C ATOM 457 O PHE A 32 12.397 -1.608 -19.820 1.00 1.19 O ATOM 458 CB PHE A 32 10.215 -0.518 -18.469 1.00 0.78 C ATOM 459 CG PHE A 32 10.412 0.829 -19.124 1.00 0.93 C ATOM 460 CD1 PHE A 32 11.673 1.214 -19.593 1.00 1.50 C ATOM 461 CD2 PHE A 32 9.321 1.698 -19.260 1.00 1.63 C ATOM 462 CE1 PHE A 32 11.844 2.465 -20.198 1.00 1.78 C ATOM 463 CE2 PHE A 32 9.491 2.948 -19.865 1.00 1.82 C ATOM 464 CZ PHE A 32 10.752 3.332 -20.334 1.00 1.56 C ATOM 0 H PHE A 32 11.977 1.148 -17.760 1.00 0.74 H new ATOM 0 HA PHE A 32 11.196 -1.521 -16.842 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.978 -1.267 -19.225 1.00 0.78 H new ATOM 0 HB3 PHE A 32 9.368 -0.477 -17.784 1.00 0.78 H new ATOM 0 HD1 PHE A 32 12.515 0.546 -19.488 1.00 1.50 H new ATOM 0 HD2 PHE A 32 8.348 1.402 -18.897 1.00 1.63 H new ATOM 0 HE1 PHE A 32 12.817 2.762 -20.560 1.00 1.78 H new ATOM 0 HE2 PHE A 32 8.649 3.616 -19.970 1.00 1.82 H new ATOM 0 HZ PHE A 32 10.884 4.297 -20.801 1.00 1.56 H new ATOM 474 N ALA A 33 13.161 -2.640 -18.037 1.00 0.77 N ATOM 475 CA ALA A 33 14.079 -3.481 -18.856 1.00 0.84 C ATOM 476 C ALA A 33 13.280 -4.552 -19.602 1.00 0.67 C ATOM 477 O ALA A 33 12.199 -4.302 -20.100 1.00 0.92 O ATOM 478 CB ALA A 33 15.101 -4.158 -17.940 1.00 1.17 C ATOM 0 H ALA A 33 13.195 -2.813 -17.032 1.00 0.77 H new ATOM 0 HA ALA A 33 14.594 -2.848 -19.579 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.773 -4.774 -18.537 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.677 -3.398 -17.413 1.00 1.17 H new ATOM 0 HB3 ALA A 33 14.581 -4.786 -17.216 1.00 1.17 H new ATOM 484 N ASP A 34 13.806 -5.744 -19.684 1.00 0.77 N ATOM 485 CA ASP A 34 13.084 -6.833 -20.400 1.00 0.85 C ATOM 486 C ASP A 34 11.578 -6.680 -20.178 1.00 0.84 C ATOM 487 O ASP A 34 10.886 -6.059 -20.960 1.00 0.99 O ATOM 488 CB ASP A 34 13.544 -8.189 -19.860 1.00 1.13 C ATOM 489 CG ASP A 34 12.811 -9.308 -20.602 1.00 1.54 C ATOM 490 OD1 ASP A 34 13.250 -9.663 -21.683 1.00 1.78 O ATOM 491 OD2 ASP A 34 11.823 -9.793 -20.076 1.00 2.21 O ATOM 0 H ASP A 34 14.706 -6.011 -19.285 1.00 0.77 H new ATOM 0 HA ASP A 34 13.301 -6.773 -21.466 1.00 0.85 H new ATOM 0 HB2 ASP A 34 14.621 -8.297 -19.989 1.00 1.13 H new ATOM 0 HB3 ASP A 34 13.342 -8.254 -18.791 1.00 1.13 H new ATOM 496 N GLY A 35 11.066 -7.242 -19.119 1.00 0.84 N ATOM 497 CA GLY A 35 9.605 -7.128 -18.852 1.00 1.02 C ATOM 498 C GLY A 35 9.380 -6.696 -17.402 1.00 0.90 C ATOM 499 O GLY A 35 8.450 -7.130 -16.752 1.00 1.19 O ATOM 0 H GLY A 35 11.595 -7.774 -18.428 1.00 0.84 H new ATOM 0 HA2 GLY A 35 9.156 -6.403 -19.532 1.00 1.02 H new ATOM 0 HA3 GLY A 35 9.116 -8.084 -19.037 1.00 1.02 H new ATOM 503 N ARG A 36 10.223 -5.841 -16.888 1.00 0.66 N ATOM 504 CA ARG A 36 10.050 -5.384 -15.481 1.00 0.63 C ATOM 505 C ARG A 36 10.641 -3.984 -15.321 1.00 0.62 C ATOM 506 O ARG A 36 11.490 -3.567 -16.083 1.00 0.68 O ATOM 507 CB ARG A 36 10.770 -6.345 -14.534 1.00 0.70 C ATOM 508 CG ARG A 36 11.900 -7.054 -15.280 1.00 1.16 C ATOM 509 CD ARG A 36 12.835 -7.716 -14.267 1.00 1.40 C ATOM 510 NE ARG A 36 14.220 -7.192 -14.448 1.00 2.02 N ATOM 511 CZ ARG A 36 14.754 -7.111 -15.637 1.00 2.19 C ATOM 512 NH1 ARG A 36 14.110 -7.562 -16.678 1.00 2.28 N ATOM 513 NH2 ARG A 36 15.944 -6.594 -15.781 1.00 2.91 N ATOM 0 H ARG A 36 11.021 -5.441 -17.381 1.00 0.66 H new ATOM 0 HA ARG A 36 8.987 -5.363 -15.240 1.00 0.63 H new ATOM 0 HB2 ARG A 36 11.172 -5.798 -13.681 1.00 0.70 H new ATOM 0 HB3 ARG A 36 10.066 -7.078 -14.140 1.00 0.70 H new ATOM 0 HG2 ARG A 36 11.490 -7.803 -15.958 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.453 -6.340 -15.890 1.00 1.16 H new ATOM 0 HD2 ARG A 36 12.489 -7.516 -13.253 1.00 1.40 H new ATOM 0 HD3 ARG A 36 12.824 -8.798 -14.400 1.00 1.40 H new ATOM 0 HE ARG A 36 14.756 -6.893 -13.633 1.00 2.02 H new ATOM 0 HH11 ARG A 36 13.186 -7.980 -16.565 1.00 2.28 H new ATOM 0 HH12 ARG A 36 14.530 -7.497 -17.605 1.00 2.28 H new ATOM 0 HH21 ARG A 36 16.455 -6.254 -14.966 1.00 2.91 H new ATOM 0 HH22 ARG A 36 16.363 -6.530 -16.709 1.00 2.91 H new ATOM 527 N MET A 37 10.202 -3.257 -14.332 1.00 0.63 N ATOM 528 CA MET A 37 10.743 -1.887 -14.120 1.00 0.67 C ATOM 529 C MET A 37 11.173 -1.733 -12.662 1.00 0.68 C ATOM 530 O MET A 37 10.474 -2.133 -11.753 1.00 0.67 O ATOM 531 CB MET A 37 9.664 -0.854 -14.452 1.00 0.71 C ATOM 532 CG MET A 37 9.934 0.438 -13.681 1.00 0.75 C ATOM 533 SD MET A 37 9.363 0.252 -11.973 1.00 0.88 S ATOM 534 CE MET A 37 8.141 1.588 -11.996 1.00 0.93 C ATOM 0 H MET A 37 9.492 -3.553 -13.662 1.00 0.63 H new ATOM 0 HA MET A 37 11.603 -1.729 -14.770 1.00 0.67 H new ATOM 0 HB2 MET A 37 9.655 -0.654 -15.524 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.680 -1.245 -14.192 1.00 0.71 H new ATOM 0 HG2 MET A 37 10.999 0.668 -13.697 1.00 0.75 H new ATOM 0 HG3 MET A 37 9.421 1.273 -14.158 1.00 0.75 H new ATOM 0 HE1 MET A 37 7.489 1.500 -11.127 1.00 0.93 H new ATOM 0 HE2 MET A 37 8.653 2.550 -11.970 1.00 0.93 H new ATOM 0 HE3 MET A 37 7.544 1.519 -12.905 1.00 0.93 H new ATOM 544 N CYS A 38 12.324 -1.164 -12.432 1.00 0.73 N ATOM 545 CA CYS A 38 12.794 -1.002 -11.028 1.00 0.78 C ATOM 546 C CYS A 38 13.102 0.469 -10.738 1.00 0.89 C ATOM 547 O CYS A 38 13.605 1.189 -11.577 1.00 0.88 O ATOM 548 CB CYS A 38 14.057 -1.837 -10.811 1.00 0.79 C ATOM 549 SG CYS A 38 13.868 -2.838 -9.315 1.00 1.06 S ATOM 0 H CYS A 38 12.955 -0.807 -13.149 1.00 0.73 H new ATOM 0 HA CYS A 38 12.008 -1.340 -10.353 1.00 0.78 H new ATOM 0 HB2 CYS A 38 14.233 -2.481 -11.673 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.926 -1.185 -10.718 1.00 0.79 H new ATOM 554 N VAL A 39 12.808 0.912 -9.545 1.00 1.04 N ATOM 555 CA VAL A 39 13.089 2.329 -9.178 1.00 1.18 C ATOM 556 C VAL A 39 14.173 2.353 -8.099 1.00 1.37 C ATOM 557 O VAL A 39 14.225 1.492 -7.241 1.00 1.26 O ATOM 558 CB VAL A 39 11.816 2.983 -8.636 1.00 1.18 C ATOM 559 CG1 VAL A 39 10.954 3.471 -9.802 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.029 1.959 -7.815 1.00 1.26 C ATOM 0 H VAL A 39 12.384 0.351 -8.807 1.00 1.04 H new ATOM 0 HA VAL A 39 13.426 2.878 -10.057 1.00 1.18 H new ATOM 0 HB VAL A 39 12.084 3.830 -8.004 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.048 3.937 -9.415 1.00 1.26 H new ATOM 0 HG12 VAL A 39 11.514 4.199 -10.388 1.00 1.26 H new ATOM 0 HG13 VAL A 39 10.685 2.625 -10.435 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.122 2.423 -7.428 1.00 1.26 H new ATOM 0 HG22 VAL A 39 10.762 1.113 -8.448 1.00 1.26 H new ATOM 0 HG23 VAL A 39 11.642 1.611 -6.983 1.00 1.26 H new ATOM 570 N ASP A 40 15.039 3.329 -8.134 1.00 1.71 N ATOM 571 CA ASP A 40 16.119 3.402 -7.110 1.00 1.97 C ATOM 572 C ASP A 40 15.543 3.923 -5.792 1.00 1.61 C ATOM 573 O ASP A 40 15.248 5.093 -5.651 1.00 2.31 O ATOM 574 CB ASP A 40 17.219 4.350 -7.595 1.00 3.21 C ATOM 575 CG ASP A 40 17.532 4.060 -9.064 1.00 4.09 C ATOM 576 OD1 ASP A 40 16.723 3.408 -9.704 1.00 4.79 O ATOM 577 OD2 ASP A 40 18.574 4.496 -9.524 1.00 4.39 O ATOM 0 H ASP A 40 15.045 4.078 -8.827 1.00 1.71 H new ATOM 0 HA ASP A 40 16.537 2.407 -6.954 1.00 1.97 H new ATOM 0 HB2 ASP A 40 16.899 5.385 -7.478 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.116 4.223 -6.989 1.00 3.21 H new ATOM 582 N LEU A 41 15.383 3.062 -4.823 1.00 1.25 N ATOM 583 CA LEU A 41 14.829 3.507 -3.514 1.00 1.86 C ATOM 584 C LEU A 41 15.884 3.310 -2.424 1.00 1.67 C ATOM 585 O LEU A 41 15.866 2.335 -1.701 1.00 1.20 O ATOM 586 CB LEU A 41 13.587 2.681 -3.177 1.00 2.45 C ATOM 587 CG LEU A 41 12.357 3.313 -3.830 1.00 2.88 C ATOM 588 CD1 LEU A 41 12.060 4.659 -3.165 1.00 2.65 C ATOM 589 CD2 LEU A 41 12.630 3.532 -5.320 1.00 3.54 C ATOM 0 H LEU A 41 15.612 2.070 -4.882 1.00 1.25 H new ATOM 0 HA LEU A 41 14.557 4.561 -3.573 1.00 1.86 H new ATOM 0 HB2 LEU A 41 13.712 1.657 -3.529 1.00 2.45 H new ATOM 0 HB3 LEU A 41 13.453 2.632 -2.096 1.00 2.45 H new ATOM 0 HG LEU A 41 11.500 2.651 -3.708 1.00 2.88 H new ATOM 0 HD11 LEU A 41 11.183 5.109 -3.631 1.00 2.65 H new ATOM 0 HD12 LEU A 41 11.868 4.506 -2.103 1.00 2.65 H new ATOM 0 HD13 LEU A 41 12.916 5.322 -3.287 1.00 2.65 H new ATOM 0 HD21 LEU A 41 11.755 3.982 -5.788 1.00 3.54 H new ATOM 0 HD22 LEU A 41 13.487 4.195 -5.439 1.00 3.54 H new ATOM 0 HD23 LEU A 41 12.843 2.575 -5.795 1.00 3.54 H new ATOM 601 N PRO A 42 16.798 4.236 -2.314 1.00 2.30 N ATOM 602 CA PRO A 42 17.891 4.180 -1.302 1.00 2.32 C ATOM 603 C PRO A 42 17.364 3.890 0.106 1.00 1.85 C ATOM 604 O PRO A 42 16.421 3.145 0.287 1.00 2.18 O ATOM 605 CB PRO A 42 18.518 5.574 -1.360 1.00 3.11 C ATOM 606 CG PRO A 42 18.200 6.098 -2.721 1.00 3.74 C ATOM 607 CD PRO A 42 16.886 5.443 -3.152 1.00 3.24 C ATOM 0 HA PRO A 42 18.597 3.377 -1.516 1.00 2.32 H new ATOM 0 HB2 PRO A 42 18.108 6.221 -0.585 1.00 3.11 H new ATOM 0 HB3 PRO A 42 19.595 5.527 -1.199 1.00 3.11 H new ATOM 0 HG2 PRO A 42 18.103 7.184 -2.704 1.00 3.74 H new ATOM 0 HG3 PRO A 42 18.999 5.860 -3.423 1.00 3.74 H new ATOM 0 HD2 PRO A 42 16.037 6.106 -2.987 1.00 3.24 H new ATOM 0 HD3 PRO A 42 16.894 5.193 -4.213 1.00 3.24 H new ATOM 615 N GLY A 43 17.966 4.473 1.107 1.00 1.69 N ATOM 616 CA GLY A 43 17.499 4.231 2.501 1.00 1.65 C ATOM 617 C GLY A 43 17.846 5.438 3.374 1.00 1.62 C ATOM 618 O GLY A 43 18.707 5.372 4.228 1.00 2.03 O ATOM 0 H GLY A 43 18.761 5.106 1.019 1.00 1.69 H new ATOM 0 HA2 GLY A 43 16.423 4.060 2.510 1.00 1.65 H new ATOM 0 HA3 GLY A 43 17.968 3.332 2.902 1.00 1.65 H new ATOM 622 N GLY A 44 17.182 6.542 3.166 1.00 1.61 N ATOM 623 CA GLY A 44 17.473 7.753 3.984 1.00 2.13 C ATOM 624 C GLY A 44 16.334 8.762 3.828 1.00 2.06 C ATOM 625 O GLY A 44 16.537 9.957 3.898 1.00 2.41 O ATOM 0 H GLY A 44 16.450 6.658 2.465 1.00 1.61 H new ATOM 0 HA2 GLY A 44 17.587 7.477 5.032 1.00 2.13 H new ATOM 0 HA3 GLY A 44 18.415 8.201 3.667 1.00 2.13 H new ATOM 629 N GLN A 45 15.136 8.289 3.618 1.00 1.86 N ATOM 630 CA GLN A 45 13.984 9.219 3.456 1.00 1.96 C ATOM 631 C GLN A 45 13.207 9.301 4.772 1.00 1.90 C ATOM 632 O GLN A 45 12.306 8.526 5.021 1.00 1.92 O ATOM 633 CB GLN A 45 13.064 8.697 2.351 1.00 2.10 C ATOM 634 CG GLN A 45 13.498 9.282 1.007 1.00 2.29 C ATOM 635 CD GLN A 45 13.339 8.222 -0.086 1.00 2.34 C ATOM 636 OE1 GLN A 45 12.196 8.109 -0.706 1.00 2.96 O flip ATOM 637 NE2 GLN A 45 14.264 7.490 -0.378 1.00 2.07 N flip ATOM 0 H GLN A 45 14.906 7.298 3.552 1.00 1.86 H new ATOM 0 HA GLN A 45 14.349 10.211 3.188 1.00 1.96 H new ATOM 0 HB2 GLN A 45 13.103 7.608 2.315 1.00 2.10 H new ATOM 0 HB3 GLN A 45 12.031 8.973 2.563 1.00 2.10 H new ATOM 0 HG2 GLN A 45 12.896 10.159 0.768 1.00 2.29 H new ATOM 0 HG3 GLN A 45 14.535 9.612 1.060 1.00 2.29 H new ATOM 0 HE21 GLN A 45 15.157 7.579 0.107 1.00 2.07 H new ATOM 0 HE22 GLN A 45 14.147 6.787 -1.108 1.00 2.07 H new ATOM 646 N GLY A 46 13.549 10.238 5.615 1.00 2.04 N ATOM 647 CA GLY A 46 12.829 10.368 6.914 1.00 2.08 C ATOM 648 C GLY A 46 11.335 10.123 6.698 1.00 2.01 C ATOM 649 O GLY A 46 10.691 9.435 7.466 1.00 2.08 O ATOM 0 H GLY A 46 14.294 10.917 5.461 1.00 2.04 H new ATOM 0 HA2 GLY A 46 13.225 9.652 7.634 1.00 2.08 H new ATOM 0 HA3 GLY A 46 12.988 11.362 7.332 1.00 2.08 H new ATOM 653 N ASN A 47 10.777 10.681 5.658 1.00 2.09 N ATOM 654 CA ASN A 47 9.326 10.480 5.394 1.00 2.14 C ATOM 655 C ASN A 47 9.149 9.400 4.320 1.00 1.80 C ATOM 656 O ASN A 47 9.751 9.468 3.267 1.00 1.63 O ATOM 657 CB ASN A 47 8.715 11.794 4.903 1.00 2.60 C ATOM 658 CG ASN A 47 9.776 12.601 4.154 1.00 2.84 C ATOM 659 OD1 ASN A 47 10.658 11.976 3.422 1.00 2.65 O flip ATOM 660 ND2 ASN A 47 9.804 13.813 4.235 1.00 3.61 N flip ATOM 0 H ASN A 47 11.264 11.267 4.980 1.00 2.09 H new ATOM 0 HA ASN A 47 8.826 10.166 6.310 1.00 2.14 H new ATOM 0 HB2 ASN A 47 7.868 11.591 4.248 1.00 2.60 H new ATOM 0 HB3 ASN A 47 8.335 12.369 5.748 1.00 2.60 H new ATOM 0 HD21 ASN A 47 9.115 14.302 4.807 1.00 3.61 H new ATOM 0 HD22 ASN A 47 10.516 14.341 3.731 1.00 3.61 H new ATOM 667 N PRO A 48 8.333 8.410 4.578 1.00 1.85 N ATOM 668 CA PRO A 48 8.085 7.303 3.610 1.00 1.74 C ATOM 669 C PRO A 48 7.142 7.713 2.475 1.00 1.36 C ATOM 670 O PRO A 48 7.185 7.163 1.393 1.00 1.19 O ATOM 671 CB PRO A 48 7.439 6.216 4.468 1.00 2.19 C ATOM 672 CG PRO A 48 6.758 6.945 5.578 1.00 2.36 C ATOM 673 CD PRO A 48 7.555 8.229 5.817 1.00 2.21 C ATOM 0 HA PRO A 48 9.004 6.988 3.115 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.727 5.628 3.888 1.00 2.19 H new ATOM 0 HB3 PRO A 48 8.187 5.522 4.853 1.00 2.19 H new ATOM 0 HG2 PRO A 48 5.726 7.174 5.314 1.00 2.36 H new ATOM 0 HG3 PRO A 48 6.728 6.335 6.481 1.00 2.36 H new ATOM 0 HD2 PRO A 48 6.896 9.078 6.001 1.00 2.21 H new ATOM 0 HD3 PRO A 48 8.206 8.137 6.686 1.00 2.21 H new ATOM 681 N TRP A 49 6.289 8.673 2.711 1.00 1.49 N ATOM 682 CA TRP A 49 5.346 9.107 1.643 1.00 1.39 C ATOM 683 C TRP A 49 5.959 10.260 0.845 1.00 1.17 C ATOM 684 O TRP A 49 5.268 11.148 0.389 1.00 1.45 O ATOM 685 CB TRP A 49 4.031 9.563 2.278 1.00 1.79 C ATOM 686 CG TRP A 49 4.292 10.103 3.649 1.00 1.85 C ATOM 687 CD1 TRP A 49 3.892 9.516 4.801 1.00 1.69 C ATOM 688 CD2 TRP A 49 4.996 11.320 4.033 1.00 2.46 C ATOM 689 NE1 TRP A 49 4.305 10.293 5.867 1.00 1.97 N ATOM 690 CE2 TRP A 49 4.990 11.416 5.446 1.00 2.36 C ATOM 691 CE3 TRP A 49 5.634 12.338 3.304 1.00 3.27 C ATOM 692 CZ2 TRP A 49 5.595 12.486 6.110 1.00 2.90 C ATOM 693 CZ3 TRP A 49 6.242 13.415 3.967 1.00 3.87 C ATOM 694 CH2 TRP A 49 6.223 13.489 5.366 1.00 3.62 C ATOM 0 H TRP A 49 6.205 9.174 3.596 1.00 1.49 H new ATOM 0 HA TRP A 49 5.154 8.271 0.971 1.00 1.39 H new ATOM 0 HB2 TRP A 49 3.563 10.328 1.659 1.00 1.79 H new ATOM 0 HB3 TRP A 49 3.334 8.727 2.333 1.00 1.79 H new ATOM 0 HD1 TRP A 49 3.340 8.591 4.875 1.00 1.69 H new ATOM 0 HE1 TRP A 49 4.126 10.065 6.845 1.00 1.97 H new ATOM 0 HE3 TRP A 49 5.657 12.291 2.225 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 5.578 12.538 7.189 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 6.728 14.192 3.395 1.00 3.87 H new ATOM 0 HH2 TRP A 49 6.693 14.321 5.869 1.00 3.62 H new ATOM 705 N ASP A 50 7.252 10.251 0.670 1.00 1.07 N ATOM 706 CA ASP A 50 7.905 11.346 -0.102 1.00 1.36 C ATOM 707 C ASP A 50 8.191 10.871 -1.529 1.00 1.21 C ATOM 708 O ASP A 50 8.751 11.592 -2.330 1.00 1.27 O ATOM 709 CB ASP A 50 9.220 11.736 0.577 1.00 1.73 C ATOM 710 CG ASP A 50 8.957 12.846 1.596 1.00 2.02 C ATOM 711 OD1 ASP A 50 8.004 12.720 2.348 1.00 2.14 O ATOM 712 OD2 ASP A 50 9.713 13.803 1.608 1.00 2.38 O ATOM 0 H ASP A 50 7.884 9.534 1.027 1.00 1.07 H new ATOM 0 HA ASP A 50 7.241 12.210 -0.134 1.00 1.36 H new ATOM 0 HB2 ASP A 50 9.657 10.869 1.072 1.00 1.73 H new ATOM 0 HB3 ASP A 50 9.940 12.074 -0.168 1.00 1.73 H new ATOM 717 N ALA A 51 7.812 9.665 -1.854 1.00 1.09 N ATOM 718 CA ALA A 51 8.065 9.155 -3.231 1.00 1.02 C ATOM 719 C ALA A 51 7.309 7.843 -3.442 1.00 0.89 C ATOM 720 O ALA A 51 6.535 7.418 -2.608 1.00 0.87 O ATOM 721 CB ALA A 51 9.565 8.916 -3.417 1.00 1.11 C ATOM 0 H ALA A 51 7.340 9.013 -1.228 1.00 1.09 H new ATOM 0 HA ALA A 51 7.719 9.890 -3.958 1.00 1.02 H new ATOM 0 HB1 ALA A 51 9.752 8.543 -4.424 1.00 1.11 H new ATOM 0 HB2 ALA A 51 10.103 9.852 -3.271 1.00 1.11 H new ATOM 0 HB3 ALA A 51 9.910 8.182 -2.688 1.00 1.11 H new ATOM 727 N GLY A 52 7.528 7.196 -4.556 1.00 0.86 N ATOM 728 CA GLY A 52 6.821 5.912 -4.826 1.00 0.86 C ATOM 729 C GLY A 52 5.841 6.103 -5.985 1.00 0.87 C ATOM 730 O GLY A 52 5.831 7.129 -6.638 1.00 0.94 O ATOM 0 H GLY A 52 8.166 7.502 -5.290 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.542 5.132 -5.070 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.287 5.584 -3.934 1.00 0.86 H new ATOM 734 N LEU A 53 5.018 5.124 -6.249 1.00 0.83 N ATOM 735 CA LEU A 53 4.045 5.255 -7.364 1.00 0.84 C ATOM 736 C LEU A 53 2.618 5.234 -6.812 1.00 0.79 C ATOM 737 O LEU A 53 2.303 4.504 -5.894 1.00 0.78 O ATOM 738 CB LEU A 53 4.241 4.118 -8.369 1.00 0.85 C ATOM 739 CG LEU A 53 4.390 2.777 -7.645 1.00 0.90 C ATOM 740 CD1 LEU A 53 3.033 2.073 -7.586 1.00 0.90 C ATOM 741 CD2 LEU A 53 5.380 1.898 -8.411 1.00 0.96 C ATOM 0 H LEU A 53 4.980 4.241 -5.740 1.00 0.83 H new ATOM 0 HA LEU A 53 4.213 6.204 -7.874 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.391 4.077 -9.050 1.00 0.85 H new ATOM 0 HB3 LEU A 53 5.126 4.310 -8.975 1.00 0.85 H new ATOM 0 HG LEU A 53 4.755 2.949 -6.632 1.00 0.90 H new ATOM 0 HD11 LEU A 53 3.140 1.119 -7.070 1.00 0.90 H new ATOM 0 HD12 LEU A 53 2.322 2.699 -7.047 1.00 0.90 H new ATOM 0 HD13 LEU A 53 2.669 1.899 -8.599 1.00 0.90 H new ATOM 0 HD21 LEU A 53 5.489 0.942 -7.899 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.009 1.728 -9.422 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.348 2.397 -8.459 1.00 0.96 H new ATOM 753 N VAL A 54 1.760 6.048 -7.363 1.00 0.79 N ATOM 754 CA VAL A 54 0.354 6.108 -6.878 1.00 0.78 C ATOM 755 C VAL A 54 -0.606 5.947 -8.062 1.00 0.80 C ATOM 756 O VAL A 54 -0.226 6.087 -9.207 1.00 0.90 O ATOM 757 CB VAL A 54 0.133 7.460 -6.187 1.00 0.89 C ATOM 758 CG1 VAL A 54 1.243 8.432 -6.590 1.00 0.92 C ATOM 759 CG2 VAL A 54 -1.225 8.055 -6.579 1.00 0.92 C ATOM 0 H VAL A 54 1.976 6.679 -8.135 1.00 0.79 H new ATOM 0 HA VAL A 54 0.163 5.303 -6.169 1.00 0.78 H new ATOM 0 HB VAL A 54 0.151 7.302 -5.109 1.00 0.89 H new ATOM 0 HG11 VAL A 54 1.083 9.391 -6.098 1.00 0.92 H new ATOM 0 HG12 VAL A 54 2.209 8.026 -6.289 1.00 0.92 H new ATOM 0 HG13 VAL A 54 1.229 8.572 -7.671 1.00 0.92 H new ATOM 0 HG21 VAL A 54 -1.361 9.013 -6.078 1.00 0.92 H new ATOM 0 HG22 VAL A 54 -1.260 8.202 -7.658 1.00 0.92 H new ATOM 0 HG23 VAL A 54 -2.021 7.373 -6.280 1.00 0.92 H new ATOM 769 N TYR A 55 -1.850 5.654 -7.790 1.00 0.78 N ATOM 770 CA TYR A 55 -2.838 5.487 -8.894 1.00 0.82 C ATOM 771 C TYR A 55 -4.255 5.652 -8.339 1.00 0.81 C ATOM 772 O TYR A 55 -4.501 5.449 -7.166 1.00 1.06 O ATOM 773 CB TYR A 55 -2.685 4.093 -9.504 1.00 0.83 C ATOM 774 CG TYR A 55 -3.863 3.796 -10.402 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.165 4.653 -11.467 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.655 2.665 -10.168 1.00 1.54 C ATOM 777 CE1 TYR A 55 -5.258 4.380 -12.298 1.00 1.70 C ATOM 778 CE2 TYR A 55 -5.748 2.391 -10.999 1.00 1.71 C ATOM 779 CZ TYR A 55 -6.049 3.249 -12.064 1.00 1.37 C ATOM 780 OH TYR A 55 -7.128 2.980 -12.883 1.00 1.61 O ATOM 0 H TYR A 55 -2.224 5.523 -6.850 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.660 6.241 -9.661 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.758 4.035 -10.074 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.621 3.345 -8.714 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.554 5.525 -11.648 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -4.423 2.004 -9.346 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -5.491 5.042 -13.119 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -6.359 1.519 -10.819 1.00 1.71 H new ATOM 0 HH TYR A 55 -6.950 3.325 -13.783 1.00 1.61 H new ATOM 790 N ASN A 56 -5.190 6.025 -9.172 1.00 0.93 N ATOM 791 CA ASN A 56 -6.588 6.207 -8.698 1.00 1.01 C ATOM 792 C ASN A 56 -7.485 5.145 -9.336 1.00 1.28 C ATOM 793 O ASN A 56 -7.015 4.159 -9.868 1.00 2.04 O ATOM 794 CB ASN A 56 -7.075 7.599 -9.100 1.00 1.81 C ATOM 795 CG ASN A 56 -6.757 8.595 -7.984 1.00 2.22 C ATOM 796 OD1 ASN A 56 -5.708 8.402 -7.232 1.00 2.78 O flip ATOM 797 ND2 ASN A 56 -7.471 9.560 -7.793 1.00 2.47 N flip ATOM 0 H ASN A 56 -5.042 6.212 -10.164 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.626 6.105 -7.613 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.594 7.910 -10.027 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -8.148 7.579 -9.289 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -8.291 9.712 -8.380 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -7.250 10.218 -7.046 1.00 2.47 H new ATOM 804 N GLY A 57 -8.776 5.336 -9.288 1.00 1.18 N ATOM 805 CA GLY A 57 -9.699 4.335 -9.894 1.00 1.77 C ATOM 806 C GLY A 57 -9.756 3.093 -9.003 1.00 1.64 C ATOM 807 O GLY A 57 -9.268 2.039 -9.358 1.00 2.48 O ATOM 0 H GLY A 57 -9.230 6.141 -8.856 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.695 4.763 -10.005 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.355 4.065 -10.892 1.00 1.77 H new ATOM 811 N VAL A 58 -10.348 3.209 -7.846 1.00 1.34 N ATOM 812 CA VAL A 58 -10.435 2.038 -6.931 1.00 1.99 C ATOM 813 C VAL A 58 -11.526 2.288 -5.885 1.00 1.78 C ATOM 814 O VAL A 58 -11.293 2.938 -4.885 1.00 1.95 O ATOM 815 CB VAL A 58 -9.092 1.846 -6.223 1.00 2.93 C ATOM 816 CG1 VAL A 58 -9.254 0.840 -5.082 1.00 3.79 C ATOM 817 CG2 VAL A 58 -8.060 1.319 -7.223 1.00 2.88 C ATOM 0 H VAL A 58 -10.776 4.066 -7.495 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.678 1.145 -7.506 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.755 2.801 -5.820 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -8.297 0.704 -4.578 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -9.989 1.214 -4.369 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -9.591 -0.115 -5.484 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -7.103 1.182 -6.720 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -8.398 0.364 -7.626 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -7.943 2.035 -8.036 1.00 2.88 H new ATOM 827 N PRO A 59 -12.707 1.778 -6.111 1.00 1.85 N ATOM 828 CA PRO A 59 -13.850 1.952 -5.173 1.00 1.84 C ATOM 829 C PRO A 59 -13.763 1.000 -3.976 1.00 1.90 C ATOM 830 O PRO A 59 -13.718 -0.205 -4.132 1.00 2.05 O ATOM 831 CB PRO A 59 -15.073 1.630 -6.031 1.00 2.07 C ATOM 832 CG PRO A 59 -14.583 0.704 -7.096 1.00 2.39 C ATOM 833 CD PRO A 59 -13.088 0.979 -7.288 1.00 2.40 C ATOM 0 HA PRO A 59 -13.876 2.952 -4.741 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.858 1.163 -5.436 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.498 2.536 -6.464 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.749 -0.334 -6.808 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -15.126 0.867 -8.027 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -12.517 0.052 -7.340 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.900 1.522 -8.214 1.00 2.40 H new ATOM 841 N VAL A 60 -13.738 1.530 -2.785 1.00 2.10 N ATOM 842 CA VAL A 60 -13.652 0.655 -1.582 1.00 2.46 C ATOM 843 C VAL A 60 -15.026 0.562 -0.916 1.00 2.53 C ATOM 844 O VAL A 60 -15.855 1.439 -1.056 1.00 2.50 O ATOM 845 CB VAL A 60 -12.644 1.245 -0.595 1.00 2.79 C ATOM 846 CG1 VAL A 60 -12.665 0.436 0.702 1.00 3.08 C ATOM 847 CG2 VAL A 60 -11.241 1.191 -1.206 1.00 2.93 C ATOM 0 H VAL A 60 -13.773 2.531 -2.592 1.00 2.10 H new ATOM 0 HA VAL A 60 -13.328 -0.342 -1.881 1.00 2.46 H new ATOM 0 HB VAL A 60 -12.909 2.280 -0.381 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -11.946 0.857 1.405 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -13.663 0.473 1.138 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -12.400 -0.600 0.489 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -10.522 1.611 -0.503 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -10.977 0.155 -1.420 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -11.224 1.768 -2.131 1.00 2.93 H new ATOM 857 N GLY A 61 -15.275 -0.496 -0.191 1.00 2.83 N ATOM 858 CA GLY A 61 -16.595 -0.643 0.482 1.00 3.05 C ATOM 859 C GLY A 61 -16.495 -1.701 1.584 1.00 2.72 C ATOM 860 O GLY A 61 -16.025 -2.798 1.364 1.00 2.61 O ATOM 0 H GLY A 61 -14.621 -1.263 -0.037 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -16.906 0.311 0.907 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -17.355 -0.931 -0.245 1.00 3.05 H new ATOM 864 N GLU A 62 -16.934 -1.376 2.770 1.00 3.03 N ATOM 865 CA GLU A 62 -16.867 -2.361 3.887 1.00 2.96 C ATOM 866 C GLU A 62 -17.707 -3.589 3.532 1.00 2.29 C ATOM 867 O GLU A 62 -18.030 -3.820 2.383 1.00 2.02 O ATOM 868 CB GLU A 62 -17.419 -1.718 5.162 1.00 4.03 C ATOM 869 CG GLU A 62 -18.866 -1.282 4.928 1.00 4.32 C ATOM 870 CD GLU A 62 -19.774 -2.514 4.904 1.00 5.32 C ATOM 871 OE1 GLU A 62 -19.705 -3.294 5.839 1.00 6.05 O ATOM 872 OE2 GLU A 62 -20.521 -2.656 3.951 1.00 5.54 O ATOM 0 H GLU A 62 -17.336 -0.471 3.013 1.00 3.03 H new ATOM 0 HA GLU A 62 -15.832 -2.662 4.048 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -17.371 -2.426 5.989 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -16.810 -0.859 5.442 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -19.183 -0.599 5.716 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -18.946 -0.740 3.986 1.00 4.32 H new ATOM 879 N GLY A 63 -18.070 -4.375 4.508 1.00 2.54 N ATOM 880 CA GLY A 63 -18.894 -5.585 4.227 1.00 2.46 C ATOM 881 C GLY A 63 -18.116 -6.538 3.318 1.00 2.21 C ATOM 882 O GLY A 63 -18.013 -7.720 3.586 1.00 2.29 O ATOM 0 H GLY A 63 -17.831 -4.232 5.489 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -19.152 -6.086 5.160 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -19.831 -5.296 3.751 1.00 2.46 H new ATOM 886 N GLU A 64 -17.567 -6.037 2.246 1.00 2.23 N ATOM 887 CA GLU A 64 -16.797 -6.915 1.322 1.00 2.27 C ATOM 888 C GLU A 64 -15.302 -6.751 1.599 1.00 2.19 C ATOM 889 O GLU A 64 -14.873 -5.777 2.185 1.00 2.81 O ATOM 890 CB GLU A 64 -17.097 -6.514 -0.124 1.00 2.70 C ATOM 891 CG GLU A 64 -18.293 -7.316 -0.639 1.00 3.18 C ATOM 892 CD GLU A 64 -17.937 -8.804 -0.664 1.00 3.59 C ATOM 893 OE1 GLU A 64 -16.759 -9.112 -0.596 1.00 3.92 O ATOM 894 OE2 GLU A 64 -18.850 -9.608 -0.753 1.00 4.03 O ATOM 0 H GLU A 64 -17.619 -5.056 1.970 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.084 -7.955 1.477 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.311 -5.447 -0.180 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.225 -6.698 -0.752 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -19.159 -7.149 0.001 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -18.566 -6.980 -1.639 1.00 3.18 H new ATOM 901 N SER A 65 -14.503 -7.696 1.185 1.00 1.71 N ATOM 902 CA SER A 65 -13.038 -7.588 1.431 1.00 1.83 C ATOM 903 C SER A 65 -12.304 -7.411 0.101 1.00 1.49 C ATOM 904 O SER A 65 -12.710 -7.934 -0.918 1.00 1.87 O ATOM 905 CB SER A 65 -12.540 -8.856 2.125 1.00 2.37 C ATOM 906 OG SER A 65 -12.773 -8.748 3.523 1.00 2.91 O ATOM 0 H SER A 65 -14.801 -8.536 0.688 1.00 1.71 H new ATOM 0 HA SER A 65 -12.843 -6.726 2.068 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.055 -9.730 1.725 1.00 2.37 H new ATOM 0 HB3 SER A 65 -11.477 -8.997 1.932 1.00 2.37 H new ATOM 0 HG SER A 65 -11.949 -8.464 3.971 1.00 2.91 H new ATOM 912 N TYR A 66 -11.229 -6.671 0.100 1.00 1.14 N ATOM 913 CA TYR A 66 -10.473 -6.451 -1.159 1.00 1.22 C ATOM 914 C TYR A 66 -9.176 -7.264 -1.134 1.00 1.63 C ATOM 915 O TYR A 66 -8.835 -7.879 -0.143 1.00 2.01 O ATOM 916 CB TYR A 66 -10.138 -4.966 -1.276 1.00 1.29 C ATOM 917 CG TYR A 66 -11.405 -4.183 -1.526 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.227 -3.823 -0.452 1.00 1.79 C ATOM 919 CD2 TYR A 66 -11.758 -3.820 -2.831 1.00 1.47 C ATOM 920 CE1 TYR A 66 -13.403 -3.100 -0.683 1.00 1.98 C ATOM 921 CE2 TYR A 66 -12.934 -3.097 -3.062 1.00 1.86 C ATOM 922 CZ TYR A 66 -13.757 -2.737 -1.988 1.00 1.87 C ATOM 923 OH TYR A 66 -14.916 -2.023 -2.216 1.00 2.38 O ATOM 0 H TYR A 66 -10.842 -6.208 0.923 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.076 -6.768 -2.010 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -9.657 -4.618 -0.362 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.431 -4.805 -2.090 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -11.954 -4.103 0.555 1.00 1.79 H new ATOM 0 HD2 TYR A 66 -11.123 -4.098 -3.659 1.00 1.47 H new ATOM 0 HE1 TYR A 66 -14.037 -2.822 0.146 1.00 1.98 H new ATOM 0 HE2 TYR A 66 -13.207 -2.817 -4.069 1.00 1.86 H new ATOM 0 HH TYR A 66 -14.780 -1.410 -2.969 1.00 2.38 H new ATOM 933 N VAL A 67 -8.453 -7.266 -2.221 1.00 1.69 N ATOM 934 CA VAL A 67 -7.176 -8.033 -2.275 1.00 2.07 C ATOM 935 C VAL A 67 -6.230 -7.368 -3.278 1.00 2.20 C ATOM 936 O VAL A 67 -6.595 -7.107 -4.407 1.00 2.22 O ATOM 937 CB VAL A 67 -7.460 -9.469 -2.723 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.301 -10.378 -2.308 1.00 2.61 C ATOM 939 CG2 VAL A 67 -8.754 -9.960 -2.067 1.00 2.54 C ATOM 0 H VAL A 67 -8.693 -6.767 -3.078 1.00 1.69 H new ATOM 0 HA VAL A 67 -6.716 -8.045 -1.287 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.567 -9.495 -3.807 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -6.507 -11.399 -2.629 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.380 -10.030 -2.775 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.190 -10.354 -1.224 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -8.958 -10.982 -2.385 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -8.646 -9.932 -0.983 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -9.581 -9.316 -2.366 1.00 2.54 H new ATOM 949 N LEU A 68 -5.019 -7.087 -2.879 1.00 2.36 N ATOM 950 CA LEU A 68 -4.062 -6.435 -3.819 1.00 2.59 C ATOM 951 C LEU A 68 -2.899 -7.385 -4.119 1.00 2.17 C ATOM 952 O LEU A 68 -2.137 -7.743 -3.244 1.00 2.07 O ATOM 953 CB LEU A 68 -3.519 -5.153 -3.184 1.00 3.01 C ATOM 954 CG LEU A 68 -3.189 -4.134 -4.278 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.487 -3.572 -4.861 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.365 -2.994 -3.678 1.00 3.61 C ATOM 0 H LEU A 68 -4.652 -7.280 -1.947 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.579 -6.195 -4.748 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.255 -4.737 -2.496 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -2.626 -5.375 -2.600 1.00 3.01 H new ATOM 0 HG LEU A 68 -2.617 -4.621 -5.068 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -4.252 -2.847 -5.640 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.076 -4.384 -5.287 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -5.059 -3.084 -4.072 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -2.129 -2.267 -4.455 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -2.938 -2.508 -2.888 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.440 -3.393 -3.262 1.00 3.61 H new ATOM 968 N SER A 69 -2.752 -7.787 -5.352 1.00 1.98 N ATOM 969 CA SER A 69 -1.634 -8.704 -5.713 1.00 1.66 C ATOM 970 C SER A 69 -0.615 -7.933 -6.554 1.00 1.53 C ATOM 971 O SER A 69 -0.624 -7.991 -7.768 1.00 1.60 O ATOM 972 CB SER A 69 -2.181 -9.888 -6.510 1.00 1.82 C ATOM 973 OG SER A 69 -3.174 -9.427 -7.415 1.00 2.27 O ATOM 0 H SER A 69 -3.359 -7.519 -6.126 1.00 1.98 H new ATOM 0 HA SER A 69 -1.153 -9.079 -4.810 1.00 1.66 H new ATOM 0 HB2 SER A 69 -1.374 -10.377 -7.056 1.00 1.82 H new ATOM 0 HB3 SER A 69 -2.605 -10.631 -5.834 1.00 1.82 H new ATOM 0 HG SER A 69 -2.800 -8.716 -7.976 1.00 2.27 H new ATOM 979 N PHE A 70 0.249 -7.190 -5.916 1.00 1.38 N ATOM 980 CA PHE A 70 1.255 -6.396 -6.679 1.00 1.30 C ATOM 981 C PHE A 70 2.567 -7.168 -6.831 1.00 1.23 C ATOM 982 O PHE A 70 3.047 -7.788 -5.904 1.00 1.40 O ATOM 983 CB PHE A 70 1.515 -5.064 -5.971 1.00 1.34 C ATOM 984 CG PHE A 70 2.214 -5.299 -4.653 1.00 1.31 C ATOM 985 CD1 PHE A 70 3.568 -5.653 -4.628 1.00 1.23 C ATOM 986 CD2 PHE A 70 1.507 -5.149 -3.454 1.00 1.96 C ATOM 987 CE1 PHE A 70 4.215 -5.857 -3.402 1.00 1.35 C ATOM 988 CE2 PHE A 70 2.153 -5.355 -2.230 1.00 2.01 C ATOM 989 CZ PHE A 70 3.507 -5.708 -2.204 1.00 1.48 C ATOM 0 H PHE A 70 0.302 -7.099 -4.901 1.00 1.38 H new ATOM 0 HA PHE A 70 0.853 -6.206 -7.674 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.126 -4.421 -6.605 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.572 -4.544 -5.803 1.00 1.34 H new ATOM 0 HD1 PHE A 70 4.114 -5.769 -5.553 1.00 1.23 H new ATOM 0 HD2 PHE A 70 0.463 -4.874 -3.474 1.00 1.96 H new ATOM 0 HE1 PHE A 70 5.260 -6.129 -3.382 1.00 1.35 H new ATOM 0 HE2 PHE A 70 1.607 -5.242 -1.305 1.00 2.01 H new ATOM 0 HZ PHE A 70 4.006 -5.865 -1.259 1.00 1.48 H new ATOM 999 N THR A 71 3.164 -7.107 -7.992 1.00 1.13 N ATOM 1000 CA THR A 71 4.462 -7.807 -8.209 1.00 1.16 C ATOM 1001 C THR A 71 5.597 -6.877 -7.778 1.00 1.11 C ATOM 1002 O THR A 71 5.620 -5.715 -8.130 1.00 1.39 O ATOM 1003 CB THR A 71 4.631 -8.135 -9.696 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.951 -7.159 -10.472 1.00 1.15 O ATOM 1005 CG2 THR A 71 4.054 -9.519 -10.003 1.00 1.80 C ATOM 0 H THR A 71 2.806 -6.600 -8.802 1.00 1.13 H new ATOM 0 HA THR A 71 4.482 -8.730 -7.629 1.00 1.16 H new ATOM 0 HB THR A 71 5.693 -8.132 -9.942 1.00 1.26 H new ATOM 0 HG1 THR A 71 4.025 -6.285 -10.036 1.00 1.15 H new ATOM 0 HG21 THR A 71 4.181 -9.739 -11.063 1.00 1.80 H new ATOM 0 HG22 THR A 71 4.577 -10.271 -9.411 1.00 1.80 H new ATOM 0 HG23 THR A 71 2.993 -9.534 -9.754 1.00 1.80 H new ATOM 1013 N ALA A 72 6.539 -7.368 -7.022 1.00 0.96 N ATOM 1014 CA ALA A 72 7.658 -6.487 -6.586 1.00 0.87 C ATOM 1015 C ALA A 72 8.714 -7.306 -5.843 1.00 0.81 C ATOM 1016 O ALA A 72 8.416 -8.028 -4.913 1.00 0.85 O ATOM 1017 CB ALA A 72 7.117 -5.398 -5.659 1.00 0.81 C ATOM 0 H ALA A 72 6.583 -8.331 -6.690 1.00 0.96 H new ATOM 0 HA ALA A 72 8.114 -6.031 -7.465 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.935 -4.753 -5.339 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.373 -4.804 -6.190 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.656 -5.859 -4.785 1.00 0.81 H new ATOM 1023 N SER A 73 9.949 -7.189 -6.244 1.00 0.75 N ATOM 1024 CA SER A 73 11.032 -7.948 -5.560 1.00 0.72 C ATOM 1025 C SER A 73 11.925 -6.963 -4.804 1.00 0.64 C ATOM 1026 O SER A 73 12.480 -6.047 -5.377 1.00 0.84 O ATOM 1027 CB SER A 73 11.865 -8.704 -6.596 1.00 0.82 C ATOM 1028 OG SER A 73 12.655 -7.778 -7.328 1.00 0.93 O ATOM 0 H SER A 73 10.255 -6.599 -7.018 1.00 0.75 H new ATOM 0 HA SER A 73 10.597 -8.664 -4.863 1.00 0.72 H new ATOM 0 HB2 SER A 73 12.505 -9.435 -6.102 1.00 0.82 H new ATOM 0 HB3 SER A 73 11.212 -9.257 -7.272 1.00 0.82 H new ATOM 0 HG SER A 73 12.769 -6.958 -6.803 1.00 0.93 H new ATOM 1034 N ALA A 74 12.063 -7.141 -3.520 1.00 0.66 N ATOM 1035 CA ALA A 74 12.913 -6.210 -2.725 1.00 0.59 C ATOM 1036 C ALA A 74 14.385 -6.601 -2.876 1.00 0.61 C ATOM 1037 O ALA A 74 14.753 -7.745 -2.707 1.00 0.67 O ATOM 1038 CB ALA A 74 12.514 -6.294 -1.252 1.00 0.59 C ATOM 0 H ALA A 74 11.624 -7.891 -2.986 1.00 0.66 H new ATOM 0 HA ALA A 74 12.771 -5.191 -3.086 1.00 0.59 H new ATOM 0 HB1 ALA A 74 13.134 -5.614 -0.668 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.466 -6.014 -1.142 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.657 -7.314 -0.894 1.00 0.59 H new ATOM 1044 N THR A 75 15.228 -5.657 -3.196 1.00 0.62 N ATOM 1045 CA THR A 75 16.671 -5.968 -3.362 1.00 0.72 C ATOM 1046 C THR A 75 17.514 -4.804 -2.822 1.00 0.72 C ATOM 1047 O THR A 75 17.525 -3.735 -3.401 1.00 0.74 O ATOM 1048 CB THR A 75 16.959 -6.145 -4.850 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.048 -5.356 -5.601 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.798 -7.616 -5.237 1.00 0.97 C ATOM 0 H THR A 75 14.975 -4.681 -3.350 1.00 0.62 H new ATOM 0 HA THR A 75 16.921 -6.877 -2.815 1.00 0.72 H new ATOM 0 HB THR A 75 17.980 -5.828 -5.061 1.00 0.85 H new ATOM 0 HG1 THR A 75 16.231 -5.466 -6.557 1.00 0.86 H new ATOM 0 HG21 THR A 75 17.005 -7.737 -6.300 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.496 -8.222 -4.660 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.778 -7.938 -5.027 1.00 0.97 H new ATOM 1058 N PRO A 76 18.229 -4.992 -1.736 1.00 0.77 N ATOM 1059 CA PRO A 76 18.270 -6.275 -0.966 1.00 0.83 C ATOM 1060 C PRO A 76 16.912 -6.635 -0.362 1.00 0.73 C ATOM 1061 O PRO A 76 15.876 -6.427 -0.960 1.00 0.68 O ATOM 1062 CB PRO A 76 19.283 -6.009 0.155 1.00 0.97 C ATOM 1063 CG PRO A 76 20.044 -4.794 -0.257 1.00 1.02 C ATOM 1064 CD PRO A 76 19.101 -3.976 -1.132 1.00 0.85 C ATOM 0 HA PRO A 76 18.539 -7.112 -1.610 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.778 -5.848 1.107 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.950 -6.861 0.288 1.00 0.97 H new ATOM 0 HG2 PRO A 76 20.362 -4.221 0.614 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.945 -5.067 -0.806 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.532 -3.256 -0.545 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.644 -3.411 -1.890 1.00 0.85 H new ATOM 1072 N ASP A 77 16.910 -7.169 0.826 1.00 0.81 N ATOM 1073 CA ASP A 77 15.622 -7.543 1.476 1.00 0.76 C ATOM 1074 C ASP A 77 15.302 -6.550 2.597 1.00 0.72 C ATOM 1075 O ASP A 77 16.180 -5.916 3.145 1.00 0.78 O ATOM 1076 CB ASP A 77 15.738 -8.951 2.062 1.00 0.91 C ATOM 1077 CG ASP A 77 16.609 -9.815 1.148 1.00 1.09 C ATOM 1078 OD1 ASP A 77 17.810 -9.602 1.132 1.00 1.75 O ATOM 1079 OD2 ASP A 77 16.059 -10.675 0.480 1.00 1.30 O ATOM 0 H ASP A 77 17.746 -7.364 1.377 1.00 0.81 H new ATOM 0 HA ASP A 77 14.824 -7.520 0.734 1.00 0.76 H new ATOM 0 HB2 ASP A 77 16.173 -8.906 3.060 1.00 0.91 H new ATOM 0 HB3 ASP A 77 14.748 -9.396 2.166 1.00 0.91 H new ATOM 1084 N MET A 78 14.049 -6.414 2.939 1.00 0.75 N ATOM 1085 CA MET A 78 13.660 -5.468 4.025 1.00 0.87 C ATOM 1086 C MET A 78 12.153 -5.202 3.937 1.00 0.89 C ATOM 1087 O MET A 78 11.517 -5.542 2.959 1.00 0.93 O ATOM 1088 CB MET A 78 14.427 -4.152 3.864 1.00 1.01 C ATOM 1089 CG MET A 78 15.490 -4.036 4.960 1.00 1.19 C ATOM 1090 SD MET A 78 16.747 -2.832 4.459 1.00 1.83 S ATOM 1091 CE MET A 78 17.821 -3.977 3.557 1.00 2.16 C ATOM 0 H MET A 78 13.274 -6.920 2.511 1.00 0.75 H new ATOM 0 HA MET A 78 13.901 -5.902 4.995 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.898 -4.112 2.882 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.738 -3.309 3.922 1.00 1.01 H new ATOM 0 HG2 MET A 78 15.028 -3.727 5.898 1.00 1.19 H new ATOM 0 HG3 MET A 78 15.952 -5.007 5.137 1.00 1.19 H new ATOM 0 HE1 MET A 78 18.802 -3.523 3.418 1.00 2.16 H new ATOM 0 HE2 MET A 78 17.926 -4.901 4.125 1.00 2.16 H new ATOM 0 HE3 MET A 78 17.382 -4.198 2.584 1.00 2.16 H new ATOM 1101 N PRO A 79 11.580 -4.604 4.951 1.00 0.96 N ATOM 1102 CA PRO A 79 10.125 -4.298 4.988 1.00 1.04 C ATOM 1103 C PRO A 79 9.783 -2.980 4.287 1.00 1.13 C ATOM 1104 O PRO A 79 10.569 -2.054 4.263 1.00 1.28 O ATOM 1105 CB PRO A 79 9.832 -4.198 6.484 1.00 1.12 C ATOM 1106 CG PRO A 79 11.107 -3.733 7.108 1.00 1.38 C ATOM 1107 CD PRO A 79 12.253 -4.153 6.180 1.00 1.11 C ATOM 0 HA PRO A 79 9.535 -5.053 4.468 1.00 1.04 H new ATOM 0 HB2 PRO A 79 9.021 -3.497 6.679 1.00 1.12 H new ATOM 0 HB3 PRO A 79 9.525 -5.162 6.889 1.00 1.12 H new ATOM 0 HG2 PRO A 79 11.097 -2.651 7.240 1.00 1.38 H new ATOM 0 HG3 PRO A 79 11.233 -4.174 8.097 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.929 -3.321 5.981 1.00 1.11 H new ATOM 0 HD3 PRO A 79 12.851 -4.950 6.622 1.00 1.11 H new ATOM 1115 N VAL A 80 8.610 -2.889 3.718 1.00 1.13 N ATOM 1116 CA VAL A 80 8.212 -1.633 3.024 1.00 1.31 C ATOM 1117 C VAL A 80 6.881 -1.140 3.594 1.00 1.45 C ATOM 1118 O VAL A 80 6.307 -1.754 4.473 1.00 1.98 O ATOM 1119 CB VAL A 80 8.057 -1.902 1.525 1.00 1.56 C ATOM 1120 CG1 VAL A 80 9.101 -2.927 1.081 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.656 -2.451 1.248 1.00 1.79 C ATOM 0 H VAL A 80 7.911 -3.632 3.705 1.00 1.13 H new ATOM 0 HA VAL A 80 8.979 -0.874 3.177 1.00 1.31 H new ATOM 0 HB VAL A 80 8.200 -0.973 0.973 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.991 -3.119 0.014 1.00 2.01 H new ATOM 0 HG12 VAL A 80 10.100 -2.538 1.279 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.957 -3.856 1.633 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.545 -2.643 0.181 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.513 -3.380 1.800 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.910 -1.722 1.565 1.00 1.79 H new ATOM 1131 N ARG A 81 6.386 -0.035 3.106 1.00 1.48 N ATOM 1132 CA ARG A 81 5.094 0.494 3.628 1.00 1.84 C ATOM 1133 C ARG A 81 4.136 0.764 2.465 1.00 2.04 C ATOM 1134 O ARG A 81 4.199 1.793 1.823 1.00 2.57 O ATOM 1135 CB ARG A 81 5.349 1.795 4.391 1.00 2.24 C ATOM 1136 CG ARG A 81 4.013 2.469 4.710 1.00 2.95 C ATOM 1137 CD ARG A 81 4.262 3.706 5.576 1.00 4.04 C ATOM 1138 NE ARG A 81 3.351 3.686 6.760 1.00 4.81 N ATOM 1139 CZ ARG A 81 2.094 3.352 6.631 1.00 5.14 C ATOM 1140 NH1 ARG A 81 1.595 3.106 5.451 1.00 4.94 N ATOM 1141 NH2 ARG A 81 1.329 3.288 7.686 1.00 6.01 N ATOM 0 H ARG A 81 6.819 0.523 2.370 1.00 1.48 H new ATOM 0 HA ARG A 81 4.648 -0.242 4.297 1.00 1.84 H new ATOM 0 HB2 ARG A 81 5.893 1.588 5.312 1.00 2.24 H new ATOM 0 HB3 ARG A 81 5.972 2.462 3.796 1.00 2.24 H new ATOM 0 HG2 ARG A 81 3.507 2.753 3.787 1.00 2.95 H new ATOM 0 HG3 ARG A 81 3.357 1.772 5.232 1.00 2.95 H new ATOM 0 HD2 ARG A 81 5.301 3.728 5.905 1.00 4.04 H new ATOM 0 HD3 ARG A 81 4.094 4.610 4.991 1.00 4.04 H new ATOM 0 HE ARG A 81 3.714 3.936 7.680 1.00 4.81 H new ATOM 0 HH11 ARG A 81 2.187 3.174 4.623 1.00 4.94 H new ATOM 0 HH12 ARG A 81 0.613 2.846 5.357 1.00 4.94 H new ATOM 0 HH21 ARG A 81 1.712 3.498 8.608 1.00 6.01 H new ATOM 0 HH22 ARG A 81 0.348 3.028 7.589 1.00 6.01 H new ATOM 1155 N VAL A 82 3.245 -0.150 2.197 1.00 2.00 N ATOM 1156 CA VAL A 82 2.276 0.051 1.088 1.00 2.41 C ATOM 1157 C VAL A 82 0.944 0.524 1.675 1.00 1.99 C ATOM 1158 O VAL A 82 0.542 0.098 2.740 1.00 1.85 O ATOM 1159 CB VAL A 82 2.073 -1.274 0.353 1.00 3.05 C ATOM 1160 CG1 VAL A 82 3.242 -1.516 -0.604 1.00 3.76 C ATOM 1161 CG2 VAL A 82 2.005 -2.413 1.372 1.00 3.57 C ATOM 0 H VAL A 82 3.147 -1.031 2.702 1.00 2.00 H new ATOM 0 HA VAL A 82 2.654 0.797 0.389 1.00 2.41 H new ATOM 0 HB VAL A 82 1.144 -1.235 -0.215 1.00 3.05 H new ATOM 0 HG11 VAL A 82 3.095 -2.461 -1.127 1.00 3.76 H new ATOM 0 HG12 VAL A 82 3.292 -0.704 -1.330 1.00 3.76 H new ATOM 0 HG13 VAL A 82 4.173 -1.555 -0.039 1.00 3.76 H new ATOM 0 HG21 VAL A 82 1.860 -3.359 0.851 1.00 3.57 H new ATOM 0 HG22 VAL A 82 2.935 -2.450 1.939 1.00 3.57 H new ATOM 0 HG23 VAL A 82 1.171 -2.243 2.053 1.00 3.57 H new ATOM 1171 N LEU A 83 0.258 1.404 0.999 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.041 1.899 1.538 1.00 1.82 C ATOM 1173 C LEU A 83 -2.014 2.170 0.390 1.00 1.64 C ATOM 1174 O LEU A 83 -1.617 2.397 -0.736 1.00 1.78 O ATOM 1175 CB LEU A 83 -0.806 3.190 2.322 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.539 4.338 1.347 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.823 5.145 1.144 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.551 5.249 1.917 1.00 1.42 C ATOM 0 H LEU A 83 0.538 1.800 0.102 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.468 1.142 2.196 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.676 3.417 2.938 1.00 2.29 H new ATOM 0 HB3 LEU A 83 0.040 3.069 2.998 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.210 3.932 0.390 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -1.633 5.963 0.449 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.600 4.497 0.738 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -2.153 5.551 2.100 1.00 1.99 H new ATOM 0 HD21 LEU A 83 0.741 6.067 1.222 1.00 1.42 H new ATOM 0 HD22 LEU A 83 0.223 5.655 2.874 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.466 4.675 2.061 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.290 2.152 0.671 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.298 2.411 -0.397 1.00 1.53 C ATOM 1192 C VAL A 84 -5.586 2.941 0.239 1.00 1.46 C ATOM 1193 O VAL A 84 -5.940 2.569 1.341 1.00 1.51 O ATOM 1194 CB VAL A 84 -4.609 1.111 -1.143 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -4.944 1.429 -2.601 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.394 0.182 -1.096 1.00 1.84 C ATOM 0 H VAL A 84 -3.678 1.969 1.596 1.00 1.54 H new ATOM 0 HA VAL A 84 -3.898 3.145 -1.096 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.458 0.620 -0.668 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.166 0.504 -3.133 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -5.812 2.087 -2.640 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.093 1.923 -3.070 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -3.621 -0.742 -1.628 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -2.542 0.673 -1.567 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.152 -0.048 -0.058 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.290 3.800 -0.444 1.00 1.45 N ATOM 1207 CA GLY A 85 -7.555 4.343 0.129 1.00 1.49 C ATOM 1208 C GLY A 85 -8.061 5.498 -0.739 1.00 1.17 C ATOM 1209 O GLY A 85 -7.859 5.524 -1.936 1.00 1.15 O ATOM 0 H GLY A 85 -6.046 4.149 -1.371 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.309 3.557 0.181 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.385 4.689 1.148 1.00 1.49 H new ATOM 1213 N GLU A 86 -8.718 6.455 -0.141 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.238 7.608 -0.928 1.00 1.19 C ATOM 1215 C GLU A 86 -8.181 8.713 -0.972 1.00 1.21 C ATOM 1216 O GLU A 86 -7.014 8.479 -0.728 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.508 8.145 -0.264 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.135 8.916 1.003 1.00 1.42 C ATOM 1219 CD GLU A 86 -9.251 8.041 1.892 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -9.687 6.957 2.244 1.00 2.54 O ATOM 1221 OE2 GLU A 86 -8.153 8.468 2.206 1.00 2.03 O ATOM 0 H GLU A 86 -8.917 6.487 0.859 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.467 7.283 -1.943 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.044 8.796 -0.954 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.178 7.321 -0.017 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -9.609 9.834 0.741 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -11.036 9.207 1.543 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.580 9.917 -1.284 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.596 11.035 -1.344 1.00 1.38 C ATOM 1230 C GLY A 87 -8.296 12.350 -0.999 1.00 1.20 C ATOM 1231 O GLY A 87 -8.852 13.011 -1.853 1.00 1.26 O ATOM 0 H GLY A 87 -9.543 10.174 -1.499 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -6.779 10.852 -0.646 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.158 11.095 -2.340 1.00 1.38 H new ATOM 1280 N ARG A 92 -7.626 9.554 5.569 1.00 2.28 N ATOM 1281 CA ARG A 92 -8.030 8.308 6.278 1.00 2.12 C ATOM 1282 C ARG A 92 -8.167 7.169 5.267 1.00 1.84 C ATOM 1283 O ARG A 92 -9.049 7.169 4.432 1.00 2.05 O ATOM 1284 CB ARG A 92 -9.371 8.532 6.980 1.00 2.02 C ATOM 1285 CG ARG A 92 -10.086 9.729 6.346 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.587 9.648 6.635 1.00 3.19 C ATOM 1287 NE ARG A 92 -12.067 10.940 7.214 1.00 4.00 N ATOM 1288 CZ ARG A 92 -11.442 11.509 8.212 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -10.447 10.904 8.799 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -11.839 12.675 8.645 1.00 5.74 N ATOM 0 HA ARG A 92 -7.273 8.048 7.018 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -9.991 7.639 6.897 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -9.211 8.712 8.043 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -9.679 10.659 6.743 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -9.913 9.739 5.270 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -12.131 9.427 5.717 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -11.789 8.832 7.329 1.00 3.19 H new ATOM 0 HE ARG A 92 -12.897 11.386 6.824 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -10.152 9.981 8.480 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -9.964 11.354 9.577 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -12.634 13.139 8.205 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -11.354 13.122 9.423 1.00 5.74 H new ATOM 1304 N THR A 93 -7.301 6.195 5.336 1.00 1.67 N ATOM 1305 CA THR A 93 -7.382 5.055 4.379 1.00 1.74 C ATOM 1306 C THR A 93 -7.673 3.760 5.134 1.00 1.95 C ATOM 1307 O THR A 93 -7.531 3.682 6.338 1.00 2.27 O ATOM 1308 CB THR A 93 -6.052 4.909 3.637 1.00 1.70 C ATOM 1309 OG1 THR A 93 -5.841 3.539 3.325 1.00 2.15 O ATOM 1310 CG2 THR A 93 -4.911 5.408 4.525 1.00 1.74 C ATOM 0 H THR A 93 -6.541 6.139 6.014 1.00 1.67 H new ATOM 0 HA THR A 93 -8.184 5.250 3.667 1.00 1.74 H new ATOM 0 HB THR A 93 -6.079 5.497 2.720 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.137 3.363 2.407 1.00 2.15 H new ATOM 0 HG21 THR A 93 -3.965 5.303 3.995 1.00 1.74 H new ATOM 0 HG22 THR A 93 -5.074 6.457 4.772 1.00 1.74 H new ATOM 0 HG23 THR A 93 -4.880 4.820 5.442 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.071 2.739 4.428 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.361 1.439 5.090 1.00 2.71 C ATOM 1320 C ALA A 94 -7.281 0.433 4.692 1.00 2.70 C ATOM 1321 O ALA A 94 -7.057 -0.553 5.367 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.730 0.928 4.638 1.00 3.28 C ATOM 0 H ALA A 94 -8.208 2.750 3.417 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.368 1.567 6.172 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.941 -0.025 5.124 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.497 1.653 4.911 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.728 0.791 3.557 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.605 0.678 3.601 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.535 -0.259 3.162 1.00 2.32 C ATOM 1330 C PHE A 95 -4.210 0.195 3.777 1.00 1.89 C ATOM 1331 O PHE A 95 -3.172 0.144 3.152 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.432 -0.212 1.636 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.026 -1.562 1.092 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -3.694 -1.989 1.161 1.00 3.34 C ATOM 1335 CD2 PHE A 95 -5.993 -2.386 0.501 1.00 3.27 C ATOM 1336 CE1 PHE A 95 -3.331 -3.236 0.643 1.00 3.65 C ATOM 1337 CE2 PHE A 95 -5.628 -3.633 -0.018 1.00 3.55 C ATOM 1338 CZ PHE A 95 -4.297 -4.058 0.052 1.00 3.60 C ATOM 0 H PHE A 95 -6.749 1.487 2.996 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.763 -1.276 3.481 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.390 0.085 1.210 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -4.703 0.541 1.338 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -2.947 -1.355 1.615 1.00 3.34 H new ATOM 0 HD2 PHE A 95 -7.021 -2.058 0.446 1.00 3.27 H new ATOM 0 HE1 PHE A 95 -2.304 -3.565 0.699 1.00 3.65 H new ATOM 0 HE2 PHE A 95 -6.374 -4.268 -0.473 1.00 3.55 H new ATOM 0 HZ PHE A 95 -4.015 -5.020 -0.350 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.239 0.658 4.996 1.00 1.92 N ATOM 1349 CA GLU A 96 -2.982 1.133 5.637 1.00 2.11 C ATOM 1350 C GLU A 96 -2.185 -0.060 6.170 1.00 1.99 C ATOM 1351 O GLU A 96 -2.607 -0.747 7.079 1.00 2.04 O ATOM 1352 CB GLU A 96 -3.324 2.074 6.794 1.00 2.46 C ATOM 1353 CG GLU A 96 -4.444 1.463 7.636 1.00 3.05 C ATOM 1354 CD GLU A 96 -4.109 1.615 9.121 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -2.999 1.274 9.496 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -4.967 2.071 9.858 1.00 4.04 O ATOM 0 H GLU A 96 -5.076 0.728 5.574 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.382 1.663 4.898 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -2.442 2.244 7.411 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.634 3.045 6.407 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -5.390 1.956 7.414 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -4.567 0.409 7.386 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.030 -0.306 5.614 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.199 -1.447 6.087 1.00 2.35 C ATOM 1365 C GLN A 97 1.272 -1.019 6.083 1.00 2.76 C ATOM 1366 O GLN A 97 1.759 -0.446 5.129 1.00 3.44 O ATOM 1367 CB GLN A 97 -0.410 -2.646 5.154 1.00 2.59 C ATOM 1368 CG GLN A 97 0.928 -3.324 4.851 1.00 2.67 C ATOM 1369 CD GLN A 97 0.685 -4.601 4.044 1.00 2.83 C ATOM 1370 OE1 GLN A 97 0.739 -4.586 2.831 1.00 2.75 O ATOM 1371 NE2 GLN A 97 0.416 -5.713 4.671 1.00 3.46 N ATOM 0 H GLN A 97 -0.626 0.236 4.850 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.487 -1.735 7.098 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.091 -3.360 5.617 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -0.877 -2.316 4.226 1.00 2.59 H new ATOM 0 HG2 GLN A 97 1.573 -2.646 4.292 1.00 2.67 H new ATOM 0 HG3 GLN A 97 1.445 -3.562 5.780 1.00 2.67 H new ATOM 0 HE21 GLN A 97 0.371 -5.726 5.690 1.00 3.46 H new ATOM 0 HE22 GLN A 97 0.251 -6.570 4.142 1.00 3.46 H new ATOM 1380 N GLY A 98 1.984 -1.289 7.144 1.00 2.66 N ATOM 1381 CA GLY A 98 3.420 -0.890 7.193 1.00 3.12 C ATOM 1382 C GLY A 98 4.294 -2.127 7.416 1.00 2.94 C ATOM 1383 O GLY A 98 5.479 -2.023 7.661 1.00 3.67 O ATOM 0 H GLY A 98 1.635 -1.766 7.975 1.00 2.66 H new ATOM 0 HA2 GLY A 98 3.702 -0.397 6.263 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.580 -0.171 7.996 1.00 3.12 H new ATOM 1387 N SER A 99 3.720 -3.295 7.339 1.00 2.31 N ATOM 1388 CA SER A 99 4.519 -4.532 7.550 1.00 2.54 C ATOM 1389 C SER A 99 4.496 -5.387 6.282 1.00 2.05 C ATOM 1390 O SER A 99 3.971 -6.483 6.271 1.00 1.87 O ATOM 1391 CB SER A 99 3.915 -5.324 8.709 1.00 3.04 C ATOM 1392 OG SER A 99 4.525 -4.919 9.926 1.00 3.79 O ATOM 0 H SER A 99 2.731 -3.446 7.139 1.00 2.31 H new ATOM 0 HA SER A 99 5.550 -4.265 7.781 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.839 -5.157 8.756 1.00 3.04 H new ATOM 0 HB3 SER A 99 4.066 -6.392 8.552 1.00 3.04 H new ATOM 0 HG SER A 99 4.137 -5.425 10.670 1.00 3.79 H new ATOM 1398 N ALA A 100 5.067 -4.901 5.213 1.00 1.96 N ATOM 1399 CA ALA A 100 5.080 -5.696 3.952 1.00 1.63 C ATOM 1400 C ALA A 100 6.513 -6.150 3.659 1.00 1.41 C ATOM 1401 O ALA A 100 7.293 -5.424 3.075 1.00 1.39 O ATOM 1402 CB ALA A 100 4.571 -4.830 2.797 1.00 1.76 C ATOM 0 H ALA A 100 5.524 -3.991 5.158 1.00 1.96 H new ATOM 0 HA ALA A 100 4.434 -6.568 4.061 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.580 -5.411 1.875 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.553 -4.502 3.009 1.00 1.76 H new ATOM 0 HB3 ALA A 100 5.216 -3.959 2.684 1.00 1.76 H new ATOM 1408 N PRO A 101 6.859 -7.342 4.071 1.00 1.67 N ATOM 1409 CA PRO A 101 8.224 -7.903 3.861 1.00 1.70 C ATOM 1410 C PRO A 101 8.427 -8.456 2.448 1.00 1.06 C ATOM 1411 O PRO A 101 7.599 -9.175 1.926 1.00 1.45 O ATOM 1412 CB PRO A 101 8.308 -9.026 4.893 1.00 2.69 C ATOM 1413 CG PRO A 101 6.900 -9.478 5.108 1.00 2.97 C ATOM 1414 CD PRO A 101 5.988 -8.291 4.784 1.00 2.35 C ATOM 0 HA PRO A 101 8.995 -7.141 3.974 1.00 1.70 H new ATOM 0 HB2 PRO A 101 8.932 -9.844 4.533 1.00 2.69 H new ATOM 0 HB3 PRO A 101 8.753 -8.672 5.823 1.00 2.69 H new ATOM 0 HG2 PRO A 101 6.667 -10.328 4.467 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.754 -9.805 6.137 1.00 2.97 H new ATOM 0 HD2 PRO A 101 5.144 -8.596 4.166 1.00 2.35 H new ATOM 0 HD3 PRO A 101 5.576 -7.848 5.691 1.00 2.35 H new ATOM 1422 N LEU A 102 9.530 -8.129 1.831 1.00 0.99 N ATOM 1423 CA LEU A 102 9.799 -8.639 0.457 1.00 1.10 C ATOM 1424 C LEU A 102 11.259 -9.087 0.365 1.00 0.93 C ATOM 1425 O LEU A 102 12.153 -8.425 0.854 1.00 1.33 O ATOM 1426 CB LEU A 102 9.540 -7.528 -0.565 1.00 2.00 C ATOM 1427 CG LEU A 102 8.033 -7.359 -0.767 1.00 2.39 C ATOM 1428 CD1 LEU A 102 7.772 -6.236 -1.773 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.440 -8.666 -1.297 1.00 2.31 C ATOM 0 H LEU A 102 10.258 -7.529 2.220 1.00 0.99 H new ATOM 0 HA LEU A 102 9.141 -9.482 0.245 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.978 -6.592 -0.219 1.00 2.00 H new ATOM 0 HB3 LEU A 102 10.019 -7.773 -1.513 1.00 2.00 H new ATOM 0 HG LEU A 102 7.567 -7.107 0.185 1.00 2.39 H new ATOM 0 HD11 LEU A 102 6.698 -6.117 -1.915 1.00 3.06 H new ATOM 0 HD12 LEU A 102 8.193 -5.304 -1.395 1.00 3.06 H new ATOM 0 HD13 LEU A 102 8.239 -6.485 -2.726 1.00 3.06 H new ATOM 0 HD21 LEU A 102 6.366 -8.546 -1.441 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.908 -8.918 -2.249 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.623 -9.466 -0.579 1.00 2.31 H new ATOM 1441 N THR A 103 11.509 -10.209 -0.254 1.00 1.21 N ATOM 1442 CA THR A 103 12.912 -10.697 -0.372 1.00 1.09 C ATOM 1443 C THR A 103 13.482 -10.290 -1.733 1.00 1.38 C ATOM 1444 O THR A 103 13.046 -9.331 -2.338 1.00 1.81 O ATOM 1445 CB THR A 103 12.932 -12.222 -0.248 1.00 1.79 C ATOM 1446 OG1 THR A 103 14.271 -12.686 -0.359 1.00 2.04 O ATOM 1447 CG2 THR A 103 12.082 -12.839 -1.358 1.00 2.34 C ATOM 0 H THR A 103 10.803 -10.808 -0.682 1.00 1.21 H new ATOM 0 HA THR A 103 13.517 -10.258 0.421 1.00 1.09 H new ATOM 0 HB THR A 103 12.525 -12.513 0.720 1.00 1.79 H new ATOM 0 HG1 THR A 103 14.882 -12.013 0.007 1.00 2.04 H new ATOM 0 HG21 THR A 103 12.098 -13.925 -1.267 1.00 2.34 H new ATOM 0 HG22 THR A 103 11.056 -12.483 -1.271 1.00 2.34 H new ATOM 0 HG23 THR A 103 12.485 -12.550 -2.328 1.00 2.34 H new ATOM 1455 N GLY A 104 14.456 -11.011 -2.218 1.00 1.62 N ATOM 1456 CA GLY A 104 15.054 -10.664 -3.538 1.00 2.17 C ATOM 1457 C GLY A 104 14.558 -11.648 -4.599 1.00 1.60 C ATOM 1458 O GLY A 104 15.336 -12.305 -5.262 1.00 1.83 O ATOM 0 H GLY A 104 14.863 -11.825 -1.757 1.00 1.62 H new ATOM 0 HA2 GLY A 104 14.782 -9.646 -3.816 1.00 2.17 H new ATOM 0 HA3 GLY A 104 16.142 -10.697 -3.476 1.00 2.17 H new ATOM 1462 N GLU A 105 13.269 -11.754 -4.765 1.00 1.22 N ATOM 1463 CA GLU A 105 12.723 -12.694 -5.784 1.00 1.09 C ATOM 1464 C GLU A 105 11.385 -12.163 -6.301 1.00 1.06 C ATOM 1465 O GLU A 105 10.662 -11.487 -5.597 1.00 1.08 O ATOM 1466 CB GLU A 105 12.515 -14.070 -5.147 1.00 1.40 C ATOM 1467 CG GLU A 105 13.768 -14.924 -5.352 1.00 1.95 C ATOM 1468 CD GLU A 105 13.566 -16.293 -4.700 1.00 2.43 C ATOM 1469 OE1 GLU A 105 13.743 -16.385 -3.497 1.00 2.75 O ATOM 1470 OE2 GLU A 105 13.238 -17.226 -5.415 1.00 3.02 O ATOM 0 H GLU A 105 12.570 -11.230 -4.239 1.00 1.22 H new ATOM 0 HA GLU A 105 13.424 -12.780 -6.614 1.00 1.09 H new ATOM 0 HB2 GLU A 105 12.306 -13.962 -4.083 1.00 1.40 H new ATOM 0 HB3 GLU A 105 11.650 -14.562 -5.593 1.00 1.40 H new ATOM 0 HG2 GLU A 105 13.970 -15.043 -6.417 1.00 1.95 H new ATOM 0 HG3 GLU A 105 14.635 -14.427 -4.917 1.00 1.95 H new ATOM 1477 N PRO A 106 11.063 -12.472 -7.528 1.00 1.08 N ATOM 1478 CA PRO A 106 9.792 -12.023 -8.165 1.00 1.12 C ATOM 1479 C PRO A 106 8.572 -12.746 -7.590 1.00 1.24 C ATOM 1480 O PRO A 106 8.450 -13.951 -7.685 1.00 1.42 O ATOM 1481 CB PRO A 106 9.975 -12.377 -9.642 1.00 1.26 C ATOM 1482 CG PRO A 106 10.984 -13.478 -9.667 1.00 1.20 C ATOM 1483 CD PRO A 106 11.881 -13.283 -8.443 1.00 1.13 C ATOM 0 HA PRO A 106 9.607 -10.963 -7.994 1.00 1.12 H new ATOM 0 HB2 PRO A 106 9.034 -12.697 -10.088 1.00 1.26 H new ATOM 0 HB3 PRO A 106 10.321 -11.515 -10.212 1.00 1.26 H new ATOM 0 HG2 PRO A 106 10.495 -14.452 -9.637 1.00 1.20 H new ATOM 0 HG3 PRO A 106 11.570 -13.444 -10.585 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.156 -14.237 -7.993 1.00 1.13 H new ATOM 0 HD3 PRO A 106 12.809 -12.775 -8.705 1.00 1.13 H new ATOM 1491 N ALA A 107 7.667 -12.020 -6.994 1.00 1.17 N ATOM 1492 CA ALA A 107 6.456 -12.665 -6.414 1.00 1.31 C ATOM 1493 C ALA A 107 5.414 -11.595 -6.086 1.00 1.24 C ATOM 1494 O ALA A 107 5.744 -10.480 -5.734 1.00 1.04 O ATOM 1495 CB ALA A 107 6.840 -13.413 -5.136 1.00 1.37 C ATOM 0 H ALA A 107 7.714 -11.007 -6.884 1.00 1.17 H new ATOM 0 HA ALA A 107 6.038 -13.368 -7.135 1.00 1.31 H new ATOM 0 HB1 ALA A 107 5.954 -13.885 -4.711 1.00 1.37 H new ATOM 0 HB2 ALA A 107 7.582 -14.177 -5.370 1.00 1.37 H new ATOM 0 HB3 ALA A 107 7.258 -12.711 -4.415 1.00 1.37 H new ATOM 1501 N THR A 108 4.156 -11.924 -6.202 1.00 1.45 N ATOM 1502 CA THR A 108 3.091 -10.927 -5.900 1.00 1.43 C ATOM 1503 C THR A 108 2.700 -11.018 -4.426 1.00 1.38 C ATOM 1504 O THR A 108 2.651 -12.087 -3.852 1.00 1.47 O ATOM 1505 CB THR A 108 1.852 -11.228 -6.750 1.00 1.60 C ATOM 1506 OG1 THR A 108 1.783 -12.625 -6.995 1.00 1.72 O ATOM 1507 CG2 THR A 108 1.914 -10.483 -8.086 1.00 1.66 C ATOM 0 H THR A 108 3.820 -12.842 -6.493 1.00 1.45 H new ATOM 0 HA THR A 108 3.468 -9.929 -6.124 1.00 1.43 H new ATOM 0 HB THR A 108 0.967 -10.895 -6.208 1.00 1.60 H new ATOM 0 HG1 THR A 108 0.991 -12.823 -7.537 1.00 1.72 H new ATOM 0 HG21 THR A 108 1.024 -10.712 -8.672 1.00 1.66 H new ATOM 0 HG22 THR A 108 1.961 -9.410 -7.902 1.00 1.66 H new ATOM 0 HG23 THR A 108 2.801 -10.796 -8.636 1.00 1.66 H new ATOM 1515 N ARG A 109 2.387 -9.908 -3.814 1.00 1.33 N ATOM 1516 CA ARG A 109 1.960 -9.950 -2.390 1.00 1.32 C ATOM 1517 C ARG A 109 0.452 -9.740 -2.346 1.00 1.37 C ATOM 1518 O ARG A 109 -0.079 -8.870 -3.005 1.00 1.49 O ATOM 1519 CB ARG A 109 2.639 -8.847 -1.584 1.00 1.27 C ATOM 1520 CG ARG A 109 4.148 -9.096 -1.519 1.00 1.97 C ATOM 1521 CD ARG A 109 4.447 -10.124 -0.425 1.00 2.63 C ATOM 1522 NE ARG A 109 5.614 -10.975 -0.818 1.00 3.48 N ATOM 1523 CZ ARG A 109 5.648 -11.605 -1.962 1.00 3.74 C ATOM 1524 NH1 ARG A 109 4.609 -11.602 -2.754 1.00 3.39 N ATOM 1525 NH2 ARG A 109 6.717 -12.270 -2.301 1.00 4.70 N ATOM 0 H ARG A 109 2.409 -8.980 -4.237 1.00 1.33 H new ATOM 0 HA ARG A 109 2.239 -10.911 -1.957 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.442 -7.878 -2.042 1.00 1.27 H new ATOM 0 HB3 ARG A 109 2.224 -8.814 -0.577 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.510 -9.457 -2.482 1.00 1.97 H new ATOM 0 HG3 ARG A 109 4.673 -8.164 -1.311 1.00 1.97 H new ATOM 0 HD2 ARG A 109 4.660 -9.614 0.515 1.00 2.63 H new ATOM 0 HD3 ARG A 109 3.571 -10.751 -0.256 1.00 2.63 H new ATOM 0 HE ARG A 109 6.402 -11.065 -0.177 1.00 3.48 H new ATOM 0 HH11 ARG A 109 3.761 -11.105 -2.481 1.00 3.39 H new ATOM 0 HH12 ARG A 109 4.646 -12.097 -3.645 1.00 3.39 H new ATOM 0 HH21 ARG A 109 7.521 -12.297 -1.674 1.00 4.70 H new ATOM 0 HH22 ARG A 109 6.749 -12.764 -3.193 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.238 -10.537 -1.584 1.00 1.37 N ATOM 1540 CA GLU A 110 -1.719 -10.400 -1.514 1.00 1.51 C ATOM 1541 C GLU A 110 -2.133 -9.846 -0.151 1.00 1.50 C ATOM 1542 O GLU A 110 -2.127 -10.545 0.843 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.362 -11.773 -1.717 1.00 1.79 C ATOM 1544 CG GLU A 110 -1.640 -12.513 -2.845 1.00 2.12 C ATOM 1545 CD GLU A 110 -0.640 -13.505 -2.247 1.00 2.63 C ATOM 1546 OE1 GLU A 110 0.053 -13.128 -1.317 1.00 3.28 O ATOM 1547 OE2 GLU A 110 -0.585 -14.624 -2.730 1.00 2.69 O ATOM 0 H GLU A 110 0.158 -11.278 -1.006 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.051 -9.714 -2.293 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -2.308 -12.352 -0.795 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.418 -11.659 -1.960 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -2.362 -13.040 -3.469 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -1.122 -11.801 -3.488 1.00 2.12 H new ATOM 1554 N TYR A 111 -2.511 -8.599 -0.100 1.00 1.66 N ATOM 1555 CA TYR A 111 -2.946 -8.006 1.192 1.00 1.81 C ATOM 1556 C TYR A 111 -4.456 -7.767 1.131 1.00 2.14 C ATOM 1557 O TYR A 111 -4.921 -6.829 0.516 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.222 -6.677 1.427 1.00 1.87 C ATOM 1559 CG TYR A 111 -0.761 -6.931 1.718 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.387 -7.756 2.787 1.00 1.82 C ATOM 1561 CD2 TYR A 111 0.222 -6.336 0.919 1.00 2.76 C ATOM 1562 CE1 TYR A 111 0.968 -7.986 3.054 1.00 2.00 C ATOM 1563 CE2 TYR A 111 1.577 -6.566 1.186 1.00 2.96 C ATOM 1564 CZ TYR A 111 1.950 -7.392 2.252 1.00 2.36 C ATOM 1565 OH TYR A 111 3.285 -7.620 2.515 1.00 2.67 O ATOM 0 H TYR A 111 -2.537 -7.966 -0.899 1.00 1.66 H new ATOM 0 HA TYR A 111 -2.706 -8.684 2.011 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.321 -6.039 0.549 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -2.681 -6.146 2.261 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.144 -8.215 3.405 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -0.065 -5.699 0.096 1.00 2.76 H new ATOM 0 HE1 TYR A 111 1.256 -8.622 3.878 1.00 2.00 H new ATOM 0 HE2 TYR A 111 2.335 -6.106 0.569 1.00 2.96 H new ATOM 0 HH TYR A 111 3.796 -7.572 1.680 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.225 -8.619 1.751 1.00 2.33 N ATOM 1576 CA ALA A 112 -6.702 -8.448 1.714 1.00 2.71 C ATOM 1577 C ALA A 112 -7.214 -8.044 3.097 1.00 2.50 C ATOM 1578 O ALA A 112 -6.514 -8.142 4.085 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.356 -9.765 1.295 1.00 3.41 C ATOM 0 H ALA A 112 -4.894 -9.425 2.281 1.00 2.33 H new ATOM 0 HA ALA A 112 -6.955 -7.668 0.996 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.439 -9.641 1.268 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -6.998 -10.050 0.306 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.098 -10.544 2.013 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.435 -7.594 3.172 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.005 -7.185 4.487 1.00 2.20 C ATOM 1587 C PHE A 113 -10.459 -6.756 4.294 1.00 1.67 C ATOM 1588 O PHE A 113 -11.081 -7.068 3.300 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.204 -6.011 5.053 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.586 -4.745 4.324 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -8.391 -4.646 2.941 1.00 2.65 C ATOM 1592 CD2 PHE A 113 -9.137 -3.670 5.032 1.00 2.38 C ATOM 1593 CE1 PHE A 113 -8.747 -3.473 2.266 1.00 2.77 C ATOM 1594 CE2 PHE A 113 -9.493 -2.496 4.357 1.00 2.44 C ATOM 1595 CZ PHE A 113 -9.298 -2.397 2.974 1.00 2.64 C ATOM 0 H PHE A 113 -9.065 -7.491 2.377 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.956 -8.025 5.180 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -8.401 -5.903 6.120 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.136 -6.199 4.943 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.966 -5.475 2.395 1.00 2.65 H new ATOM 0 HD2 PHE A 113 -9.287 -3.746 6.099 1.00 2.38 H new ATOM 0 HE1 PHE A 113 -8.597 -3.397 1.199 1.00 2.77 H new ATOM 0 HE2 PHE A 113 -9.918 -1.667 4.903 1.00 2.44 H new ATOM 0 HZ PHE A 113 -9.572 -1.491 2.453 1.00 2.64 H new ATOM 1605 N THR A 114 -11.005 -6.043 5.240 1.00 1.53 N ATOM 1606 CA THR A 114 -12.417 -5.592 5.118 1.00 1.47 C ATOM 1607 C THR A 114 -12.474 -4.066 5.226 1.00 1.85 C ATOM 1608 O THR A 114 -11.741 -3.462 5.982 1.00 2.23 O ATOM 1609 CB THR A 114 -13.239 -6.214 6.247 1.00 1.92 C ATOM 1610 OG1 THR A 114 -12.403 -6.425 7.375 1.00 2.12 O ATOM 1611 CG2 THR A 114 -13.820 -7.551 5.784 1.00 2.22 C ATOM 0 H THR A 114 -10.531 -5.753 6.095 1.00 1.53 H new ATOM 0 HA THR A 114 -12.822 -5.902 4.155 1.00 1.47 H new ATOM 0 HB THR A 114 -14.054 -5.542 6.516 1.00 1.92 H new ATOM 0 HG1 THR A 114 -12.928 -6.822 8.101 1.00 2.12 H new ATOM 0 HG21 THR A 114 -14.405 -7.992 6.591 1.00 2.22 H new ATOM 0 HG22 THR A 114 -14.461 -7.389 4.917 1.00 2.22 H new ATOM 0 HG23 THR A 114 -13.008 -8.226 5.514 1.00 2.22 H new ATOM 1619 N SER A 115 -13.339 -3.436 4.476 1.00 2.24 N ATOM 1620 CA SER A 115 -13.430 -1.952 4.546 1.00 2.93 C ATOM 1621 C SER A 115 -14.389 -1.547 5.667 1.00 3.67 C ATOM 1622 O SER A 115 -15.186 -2.338 6.132 1.00 4.11 O ATOM 1623 CB SER A 115 -13.930 -1.399 3.209 1.00 3.21 C ATOM 1624 OG SER A 115 -14.980 -0.473 3.448 1.00 4.06 O ATOM 0 H SER A 115 -13.982 -3.883 3.822 1.00 2.24 H new ATOM 0 HA SER A 115 -12.442 -1.541 4.754 1.00 2.93 H new ATOM 0 HB2 SER A 115 -13.114 -0.911 2.676 1.00 3.21 H new ATOM 0 HB3 SER A 115 -14.284 -2.212 2.575 1.00 3.21 H new ATOM 0 HG SER A 115 -14.718 0.411 3.116 1.00 4.06 H new ATOM 1630 N ASN A 116 -14.313 -0.322 6.113 1.00 3.92 N ATOM 1631 CA ASN A 116 -15.217 0.130 7.209 1.00 4.70 C ATOM 1632 C ASN A 116 -15.929 1.417 6.789 1.00 4.40 C ATOM 1633 O ASN A 116 -16.905 1.821 7.388 1.00 4.82 O ATOM 1634 CB ASN A 116 -14.391 0.395 8.471 1.00 5.27 C ATOM 1635 CG ASN A 116 -15.219 0.037 9.707 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -16.060 0.804 10.131 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -15.014 -1.104 10.305 1.00 6.86 N ATOM 0 H ASN A 116 -13.664 0.385 5.766 1.00 3.92 H new ATOM 0 HA ASN A 116 -15.957 -0.644 7.411 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -13.475 -0.196 8.450 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -14.093 1.443 8.510 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -15.560 -1.353 11.130 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -14.307 -1.747 9.948 1.00 6.86 H new ATOM 1644 N LEU A 117 -15.449 2.065 5.762 1.00 3.81 N ATOM 1645 CA LEU A 117 -16.102 3.326 5.308 1.00 3.59 C ATOM 1646 C LEU A 117 -16.503 3.194 3.837 1.00 3.13 C ATOM 1647 O LEU A 117 -15.935 2.418 3.095 1.00 3.28 O ATOM 1648 CB LEU A 117 -15.123 4.491 5.466 1.00 3.83 C ATOM 1649 CG LEU A 117 -15.901 5.807 5.521 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -16.121 6.208 6.981 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -15.102 6.901 4.809 1.00 4.76 C ATOM 0 H LEU A 117 -14.635 1.777 5.219 1.00 3.81 H new ATOM 0 HA LEU A 117 -16.991 3.512 5.911 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -14.535 4.365 6.375 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -14.421 4.506 4.632 1.00 3.83 H new ATOM 0 HG LEU A 117 -16.865 5.680 5.028 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -16.675 7.146 7.021 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -16.688 5.429 7.491 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -15.157 6.335 7.473 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -15.655 7.839 4.848 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -14.138 7.028 5.303 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -14.942 6.616 3.769 1.00 4.76 H new ATOM 1663 N THR A 118 -17.478 3.948 3.410 1.00 3.12 N ATOM 1664 CA THR A 118 -17.916 3.868 1.989 1.00 3.08 C ATOM 1665 C THR A 118 -17.183 4.934 1.170 1.00 3.13 C ATOM 1666 O THR A 118 -17.437 6.114 1.301 1.00 3.70 O ATOM 1667 CB THR A 118 -19.424 4.110 1.908 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.820 4.971 2.966 1.00 4.06 O ATOM 1669 CG2 THR A 118 -20.164 2.777 2.029 1.00 4.04 C ATOM 0 H THR A 118 -17.991 4.617 3.985 1.00 3.12 H new ATOM 0 HA THR A 118 -17.684 2.880 1.591 1.00 3.08 H new ATOM 0 HB THR A 118 -19.668 4.572 0.951 1.00 3.62 H new ATOM 0 HG1 THR A 118 -20.786 5.129 2.915 1.00 4.06 H new ATOM 0 HG21 THR A 118 -21.239 2.951 1.971 1.00 4.04 H new ATOM 0 HG22 THR A 118 -19.859 2.117 1.217 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.923 2.312 2.985 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.276 4.526 0.325 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.529 5.515 -0.500 1.00 3.07 C ATOM 1679 C PHE A 119 -15.874 5.315 -1.978 1.00 2.72 C ATOM 1680 O PHE A 119 -15.257 4.524 -2.664 1.00 2.65 O ATOM 1681 CB PHE A 119 -14.026 5.315 -0.298 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.580 6.054 0.941 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -13.591 7.454 0.961 1.00 4.47 C ATOM 1684 CD2 PHE A 119 -13.157 5.341 2.068 1.00 4.69 C ATOM 1685 CE1 PHE A 119 -13.179 8.140 2.110 1.00 5.10 C ATOM 1686 CE2 PHE A 119 -12.743 6.027 3.216 1.00 5.33 C ATOM 1687 CZ PHE A 119 -12.755 7.427 3.237 1.00 5.44 C ATOM 0 H PHE A 119 -16.021 3.551 0.171 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.807 6.524 -0.196 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.800 4.253 -0.202 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.480 5.680 -1.168 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -13.917 8.004 0.091 1.00 4.47 H new ATOM 0 HD2 PHE A 119 -13.150 4.261 2.052 1.00 4.69 H new ATOM 0 HE1 PHE A 119 -13.188 9.220 2.126 1.00 5.10 H new ATOM 0 HE2 PHE A 119 -12.414 5.477 4.085 1.00 5.33 H new ATOM 0 HZ PHE A 119 -12.437 7.957 4.123 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.858 6.026 -2.462 1.00 2.96 N ATOM 1698 CA PRO A 120 -17.301 5.929 -3.880 1.00 2.86 C ATOM 1699 C PRO A 120 -16.401 6.735 -4.822 1.00 3.02 C ATOM 1700 O PRO A 120 -15.618 7.556 -4.390 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.712 6.515 -3.852 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.731 7.465 -2.699 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.659 7.003 -1.707 1.00 3.80 C ATOM 0 HA PRO A 120 -17.261 4.906 -4.254 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.942 7.028 -4.786 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -19.459 5.731 -3.726 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -18.529 8.482 -3.036 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.713 7.475 -2.226 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -17.048 7.838 -1.365 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -18.106 6.551 -0.821 1.00 3.80 H new ATOM 1711 N PRO A 121 -16.517 6.501 -6.102 1.00 2.87 N ATOM 1712 CA PRO A 121 -15.707 7.212 -7.128 1.00 3.45 C ATOM 1713 C PRO A 121 -16.268 8.602 -7.439 1.00 3.18 C ATOM 1714 O PRO A 121 -15.567 9.474 -7.913 1.00 3.79 O ATOM 1715 CB PRO A 121 -15.813 6.306 -8.354 1.00 3.90 C ATOM 1716 CG PRO A 121 -17.125 5.606 -8.214 1.00 3.47 C ATOM 1717 CD PRO A 121 -17.437 5.529 -6.716 1.00 2.74 C ATOM 0 HA PRO A 121 -14.682 7.382 -6.798 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -15.773 6.886 -9.276 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -14.989 5.594 -8.389 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -17.909 6.148 -8.743 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -17.077 4.608 -8.649 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -18.477 5.783 -6.513 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -17.272 4.524 -6.327 1.00 2.74 H new ATOM 1725 N ASP A 122 -17.529 8.812 -7.177 1.00 2.63 N ATOM 1726 CA ASP A 122 -18.135 10.143 -7.457 1.00 2.65 C ATOM 1727 C ASP A 122 -18.450 10.849 -6.136 1.00 2.94 C ATOM 1728 O ASP A 122 -19.275 10.403 -5.364 1.00 3.74 O ATOM 1729 CB ASP A 122 -19.427 9.956 -8.256 1.00 2.79 C ATOM 1730 CG ASP A 122 -19.091 9.804 -9.741 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -17.956 9.472 -10.040 1.00 4.14 O ATOM 1732 OD2 ASP A 122 -19.975 10.022 -10.553 1.00 3.56 O ATOM 0 H ASP A 122 -18.165 8.120 -6.781 1.00 2.63 H new ATOM 0 HA ASP A 122 -17.435 10.747 -8.033 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -19.962 9.075 -7.901 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -20.086 10.811 -8.107 1.00 2.79 H new ATOM 1737 N GLY A 123 -17.798 11.948 -5.870 1.00 2.81 N ATOM 1738 CA GLY A 123 -18.061 12.680 -4.599 1.00 3.57 C ATOM 1739 C GLY A 123 -16.772 13.347 -4.116 1.00 3.16 C ATOM 1740 O GLY A 123 -16.039 13.933 -4.887 1.00 3.47 O ATOM 0 H GLY A 123 -17.095 12.370 -6.477 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -18.835 13.431 -4.754 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -18.432 11.991 -3.841 1.00 3.57 H new ATOM 1744 N ASP A 124 -16.490 13.263 -2.845 1.00 2.78 N ATOM 1745 CA ASP A 124 -15.248 13.893 -2.314 1.00 2.58 C ATOM 1746 C ASP A 124 -14.081 13.593 -3.257 1.00 2.15 C ATOM 1747 O ASP A 124 -13.757 14.375 -4.127 1.00 2.31 O ATOM 1748 CB ASP A 124 -14.942 13.326 -0.926 1.00 3.01 C ATOM 1749 CG ASP A 124 -15.822 14.019 0.115 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -16.850 14.553 -0.268 1.00 3.59 O ATOM 1751 OD2 ASP A 124 -15.453 14.005 1.277 1.00 3.51 O ATOM 0 H ASP A 124 -17.066 12.786 -2.151 1.00 2.78 H new ATOM 0 HA ASP A 124 -15.389 14.971 -2.243 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -15.123 12.251 -0.913 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -13.890 13.475 -0.685 1.00 3.01 H new ATOM 1756 N ALA A 125 -13.447 12.464 -3.091 1.00 1.83 N ATOM 1757 CA ALA A 125 -12.303 12.115 -3.978 1.00 1.67 C ATOM 1758 C ALA A 125 -12.500 10.702 -4.532 1.00 1.39 C ATOM 1759 O ALA A 125 -13.096 9.856 -3.897 1.00 1.38 O ATOM 1760 CB ALA A 125 -11.001 12.170 -3.176 1.00 2.08 C ATOM 0 H ALA A 125 -13.672 11.769 -2.379 1.00 1.83 H new ATOM 0 HA ALA A 125 -12.253 12.826 -4.803 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -10.163 11.915 -3.825 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -10.860 13.176 -2.780 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -11.051 11.459 -2.351 1.00 2.08 H new ATOM 1766 N PRO A 126 -12.001 10.456 -5.713 1.00 1.26 N ATOM 1767 CA PRO A 126 -12.117 9.125 -6.376 1.00 1.14 C ATOM 1768 C PRO A 126 -11.220 8.072 -5.722 1.00 1.05 C ATOM 1769 O PRO A 126 -10.820 8.205 -4.582 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.665 9.392 -7.813 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.780 10.592 -7.735 1.00 1.31 C ATOM 1772 CD PRO A 126 -11.268 11.422 -6.547 1.00 1.39 C ATOM 0 HA PRO A 126 -13.129 8.726 -6.305 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -11.130 8.535 -8.222 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -12.519 9.575 -8.466 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -9.739 10.297 -7.600 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -10.830 11.170 -8.658 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.435 11.868 -6.003 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.912 12.240 -6.870 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.901 7.026 -6.433 1.00 1.02 N ATOM 1781 CA GLY A 127 -10.030 5.965 -5.852 1.00 1.03 C ATOM 1782 C GLY A 127 -8.637 6.538 -5.585 1.00 1.09 C ATOM 1783 O GLY A 127 -8.273 7.576 -6.102 1.00 1.19 O ATOM 0 H GLY A 127 -11.206 6.860 -7.392 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.464 5.590 -4.925 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.962 5.120 -6.537 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.855 5.869 -4.784 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.487 6.379 -4.489 1.00 1.26 C ATOM 1789 C GLN A 128 -5.539 5.203 -4.252 1.00 1.11 C ATOM 1790 O GLN A 128 -5.944 4.136 -3.834 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.529 7.260 -3.239 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.760 8.557 -3.503 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.262 8.257 -3.575 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -3.678 8.277 -4.640 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -3.611 7.978 -2.479 1.00 1.99 N ATOM 0 H GLN A 128 -8.103 4.994 -4.322 1.00 1.12 H new ATOM 0 HA GLN A 128 -6.130 6.965 -5.336 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.562 7.485 -2.974 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.091 6.731 -2.393 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -6.097 9.008 -4.436 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -5.959 9.278 -2.710 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -4.101 7.961 -1.585 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -2.612 7.777 -2.517 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.276 5.396 -4.513 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.285 4.306 -4.305 1.00 0.91 C ATOM 1806 C VAL A 129 -1.912 4.943 -4.098 1.00 0.88 C ATOM 1807 O VAL A 129 -1.507 5.811 -4.845 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.249 3.398 -5.536 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -2.295 2.229 -5.282 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -4.653 2.855 -5.812 1.00 0.89 C ATOM 0 H VAL A 129 -3.886 6.270 -4.865 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.560 3.708 -3.436 1.00 0.91 H new ATOM 0 HB VAL A 129 -2.903 3.970 -6.397 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -2.270 1.583 -6.159 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -1.294 2.613 -5.085 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -2.641 1.658 -4.420 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -4.627 2.208 -6.689 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -4.998 2.284 -4.950 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.335 3.686 -5.994 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.195 4.544 -3.084 1.00 0.78 N ATOM 1821 CA ALA A 130 0.135 5.165 -2.849 1.00 0.85 C ATOM 1822 C ALA A 130 1.154 4.106 -2.423 1.00 0.75 C ATOM 1823 O ALA A 130 1.215 3.708 -1.277 1.00 0.73 O ATOM 1824 CB ALA A 130 0.005 6.227 -1.757 1.00 0.98 C ATOM 0 H ALA A 130 -1.469 3.824 -2.416 1.00 0.78 H new ATOM 0 HA ALA A 130 0.483 5.625 -3.774 1.00 0.85 H new ATOM 0 HB1 ALA A 130 0.977 6.687 -1.579 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.705 6.991 -2.075 1.00 0.98 H new ATOM 0 HB3 ALA A 130 -0.350 5.762 -0.837 1.00 0.98 H new ATOM 1830 N PHE A 131 1.967 3.665 -3.342 1.00 0.75 N ATOM 1831 CA PHE A 131 3.004 2.649 -3.009 1.00 0.70 C ATOM 1832 C PHE A 131 4.236 3.373 -2.463 1.00 0.77 C ATOM 1833 O PHE A 131 5.038 3.899 -3.209 1.00 0.99 O ATOM 1834 CB PHE A 131 3.392 1.890 -4.279 1.00 0.70 C ATOM 1835 CG PHE A 131 2.516 0.672 -4.453 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.210 0.661 -3.948 1.00 1.29 C ATOM 1837 CD2 PHE A 131 3.014 -0.448 -5.129 1.00 1.49 C ATOM 1838 CE1 PHE A 131 0.405 -0.472 -4.119 1.00 1.54 C ATOM 1839 CE2 PHE A 131 2.210 -1.579 -5.302 1.00 1.73 C ATOM 1840 CZ PHE A 131 0.905 -1.592 -4.796 1.00 1.48 C ATOM 0 H PHE A 131 1.957 3.967 -4.316 1.00 0.75 H new ATOM 0 HA PHE A 131 2.618 1.948 -2.268 1.00 0.70 H new ATOM 0 HB2 PHE A 131 3.293 2.544 -5.146 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.438 1.589 -4.225 1.00 0.70 H new ATOM 0 HD1 PHE A 131 0.824 1.525 -3.427 1.00 1.29 H new ATOM 0 HD2 PHE A 131 4.022 -0.439 -5.518 1.00 1.49 H new ATOM 0 HE1 PHE A 131 -0.602 -0.482 -3.729 1.00 1.54 H new ATOM 0 HE2 PHE A 131 2.596 -2.441 -5.825 1.00 1.73 H new ATOM 0 HZ PHE A 131 0.284 -2.465 -4.927 1.00 1.48 H new ATOM 1850 N HIS A 132 4.389 3.414 -1.167 1.00 0.82 N ATOM 1851 CA HIS A 132 5.564 4.116 -0.580 1.00 0.96 C ATOM 1852 C HIS A 132 6.641 3.097 -0.201 1.00 1.03 C ATOM 1853 O HIS A 132 6.358 2.061 0.365 1.00 1.41 O ATOM 1854 CB HIS A 132 5.126 4.883 0.669 1.00 1.41 C ATOM 1855 CG HIS A 132 4.166 5.973 0.276 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.171 6.424 1.127 1.00 1.70 N ATOM 1857 CD2 HIS A 132 4.038 6.710 -0.877 1.00 1.88 C ATOM 1858 CE1 HIS A 132 2.492 7.390 0.482 1.00 1.96 C ATOM 1859 NE2 HIS A 132 2.979 7.604 -0.742 1.00 2.32 N ATOM 0 H HIS A 132 3.752 2.992 -0.491 1.00 0.82 H new ATOM 0 HA HIS A 132 5.971 4.812 -1.314 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.652 4.204 1.378 1.00 1.41 H new ATOM 0 HB3 HIS A 132 5.995 5.311 1.169 1.00 1.41 H new ATOM 0 HD2 HIS A 132 4.662 6.611 -1.753 1.00 1.88 H new ATOM 0 HE1 HIS A 132 1.655 7.927 0.903 1.00 1.96 H new ATOM 0 HE2 HIS A 132 2.647 8.278 -1.431 1.00 2.32 H new ATOM 1867 N LEU A 133 7.876 3.388 -0.510 1.00 1.00 N ATOM 1868 CA LEU A 133 8.973 2.440 -0.168 1.00 1.39 C ATOM 1869 C LEU A 133 10.122 3.208 0.489 1.00 1.62 C ATOM 1870 O LEU A 133 10.772 2.719 1.391 1.00 2.04 O ATOM 1871 CB LEU A 133 9.476 1.761 -1.444 1.00 1.58 C ATOM 1872 CG LEU A 133 8.353 1.734 -2.483 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.138 3.143 -3.041 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.739 0.788 -3.622 1.00 2.11 C ATOM 0 H LEU A 133 8.172 4.241 -0.984 1.00 1.00 H new ATOM 0 HA LEU A 133 8.599 1.684 0.522 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.339 2.298 -1.839 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.806 0.746 -1.223 1.00 1.58 H new ATOM 0 HG LEU A 133 7.432 1.386 -2.015 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.338 3.123 -3.781 1.00 1.52 H new ATOM 0 HD12 LEU A 133 7.865 3.818 -2.230 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.058 3.493 -3.510 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.941 0.767 -4.364 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.659 1.138 -4.089 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.892 -0.216 -3.225 1.00 2.11 H new ATOM 1886 N GLY A 134 10.377 4.409 0.043 1.00 1.46 N ATOM 1887 CA GLY A 134 11.484 5.206 0.644 1.00 1.77 C ATOM 1888 C GLY A 134 11.481 5.017 2.162 1.00 1.08 C ATOM 1889 O GLY A 134 10.541 5.383 2.840 1.00 0.83 O ATOM 0 H GLY A 134 9.867 4.871 -0.710 1.00 1.46 H new ATOM 0 HA2 GLY A 134 12.441 4.890 0.229 1.00 1.77 H new ATOM 0 HA3 GLY A 134 11.363 6.261 0.398 1.00 1.77 H new ATOM 1893 N LYS A 135 12.525 4.449 2.702 1.00 1.23 N ATOM 1894 CA LYS A 135 12.579 4.238 4.176 1.00 1.09 C ATOM 1895 C LYS A 135 14.017 3.943 4.600 1.00 1.32 C ATOM 1896 O LYS A 135 14.790 3.376 3.854 1.00 1.76 O ATOM 1897 CB LYS A 135 11.686 3.054 4.554 1.00 1.93 C ATOM 1898 CG LYS A 135 10.217 3.481 4.505 1.00 2.37 C ATOM 1899 CD LYS A 135 9.392 2.582 5.428 1.00 3.36 C ATOM 1900 CE LYS A 135 9.332 3.202 6.825 1.00 4.04 C ATOM 1901 NZ LYS A 135 8.042 3.929 6.991 1.00 5.06 N ATOM 0 H LYS A 135 13.342 4.122 2.186 1.00 1.23 H new ATOM 0 HA LYS A 135 12.229 5.137 4.683 1.00 1.09 H new ATOM 0 HB2 LYS A 135 11.857 2.224 3.869 1.00 1.93 H new ATOM 0 HB3 LYS A 135 11.939 2.700 5.553 1.00 1.93 H new ATOM 0 HG2 LYS A 135 10.120 4.522 4.812 1.00 2.37 H new ATOM 0 HG3 LYS A 135 9.842 3.414 3.484 1.00 2.37 H new ATOM 0 HD2 LYS A 135 8.385 2.460 5.029 1.00 3.36 H new ATOM 0 HD3 LYS A 135 9.837 1.588 5.478 1.00 3.36 H new ATOM 0 HE2 LYS A 135 9.424 2.425 7.584 1.00 4.04 H new ATOM 0 HE3 LYS A 135 10.168 3.886 6.967 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 8.232 4.917 7.253 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 7.512 3.904 6.097 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 7.481 3.474 7.739 1.00 5.06 H new ATOM 1915 N ALA A 136 14.384 4.317 5.796 1.00 1.56 N ATOM 1916 CA ALA A 136 15.771 4.045 6.260 1.00 1.90 C ATOM 1917 C ALA A 136 16.152 2.624 5.842 1.00 2.22 C ATOM 1918 O ALA A 136 17.308 2.250 5.844 1.00 2.64 O ATOM 1919 CB ALA A 136 15.838 4.168 7.783 1.00 2.27 C ATOM 0 H ALA A 136 13.785 4.797 6.468 1.00 1.56 H new ATOM 0 HA ALA A 136 16.461 4.763 5.817 1.00 1.90 H new ATOM 0 HB1 ALA A 136 16.855 3.968 8.120 1.00 2.27 H new ATOM 0 HB2 ALA A 136 15.549 5.176 8.080 1.00 2.27 H new ATOM 0 HB3 ALA A 136 15.158 3.447 8.237 1.00 2.27 H new ATOM 1925 N GLY A 137 15.180 1.834 5.477 1.00 2.17 N ATOM 1926 CA GLY A 137 15.467 0.438 5.049 1.00 2.51 C ATOM 1927 C GLY A 137 15.116 0.282 3.569 1.00 1.81 C ATOM 1928 O GLY A 137 15.335 -0.755 2.976 1.00 2.11 O ATOM 0 H GLY A 137 14.195 2.098 5.457 1.00 2.17 H new ATOM 0 HA2 GLY A 137 16.519 0.204 5.212 1.00 2.51 H new ATOM 0 HA3 GLY A 137 14.888 -0.265 5.648 1.00 2.51 H new ATOM 1932 N ALA A 138 14.571 1.306 2.969 1.00 1.23 N ATOM 1933 CA ALA A 138 14.205 1.219 1.526 1.00 1.37 C ATOM 1934 C ALA A 138 15.332 0.527 0.754 1.00 1.13 C ATOM 1935 O ALA A 138 16.374 0.222 1.298 1.00 1.41 O ATOM 1936 CB ALA A 138 13.996 2.627 0.968 1.00 2.32 C ATOM 0 H ALA A 138 14.363 2.199 3.416 1.00 1.23 H new ATOM 0 HA ALA A 138 13.285 0.645 1.419 1.00 1.37 H new ATOM 0 HB1 ALA A 138 13.728 2.564 -0.087 1.00 2.32 H new ATOM 0 HB2 ALA A 138 13.194 3.121 1.517 1.00 2.32 H new ATOM 0 HB3 ALA A 138 14.916 3.201 1.075 1.00 2.32 H new ATOM 1942 N TYR A 139 15.133 0.278 -0.512 1.00 0.82 N ATOM 1943 CA TYR A 139 16.194 -0.394 -1.312 1.00 0.75 C ATOM 1944 C TYR A 139 15.847 -0.321 -2.804 1.00 0.76 C ATOM 1945 O TYR A 139 15.858 0.737 -3.401 1.00 0.83 O ATOM 1946 CB TYR A 139 16.309 -1.856 -0.871 1.00 0.74 C ATOM 1947 CG TYR A 139 14.946 -2.423 -0.530 1.00 0.79 C ATOM 1948 CD1 TYR A 139 13.777 -1.878 -1.084 1.00 1.41 C ATOM 1949 CD2 TYR A 139 14.857 -3.508 0.350 1.00 1.42 C ATOM 1950 CE1 TYR A 139 12.528 -2.420 -0.757 1.00 1.42 C ATOM 1951 CE2 TYR A 139 13.607 -4.047 0.677 1.00 1.61 C ATOM 1952 CZ TYR A 139 12.444 -3.503 0.123 1.00 1.11 C ATOM 1953 OH TYR A 139 11.212 -4.036 0.445 1.00 1.32 O ATOM 0 H TYR A 139 14.283 0.511 -1.025 1.00 0.82 H new ATOM 0 HA TYR A 139 17.147 0.109 -1.149 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.765 -2.446 -1.666 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.966 -1.929 -0.004 1.00 0.74 H new ATOM 0 HD1 TYR A 139 13.841 -1.040 -1.763 1.00 1.41 H new ATOM 0 HD2 TYR A 139 15.754 -3.930 0.778 1.00 1.42 H new ATOM 0 HE1 TYR A 139 11.629 -2.001 -1.185 1.00 1.42 H new ATOM 0 HE2 TYR A 139 13.541 -4.883 1.357 1.00 1.61 H new ATOM 0 HH TYR A 139 11.284 -4.545 1.279 1.00 1.32 H new ATOM 1963 N GLU A 140 15.529 -1.435 -3.406 1.00 0.80 N ATOM 1964 CA GLU A 140 15.172 -1.426 -4.853 1.00 0.87 C ATOM 1965 C GLU A 140 13.787 -2.053 -5.026 1.00 0.77 C ATOM 1966 O GLU A 140 13.489 -3.085 -4.457 1.00 0.73 O ATOM 1967 CB GLU A 140 16.203 -2.235 -5.641 1.00 1.13 C ATOM 1968 CG GLU A 140 17.541 -1.494 -5.644 1.00 0.93 C ATOM 1969 CD GLU A 140 18.566 -2.290 -6.454 1.00 0.94 C ATOM 1970 OE1 GLU A 140 18.280 -3.432 -6.774 1.00 1.65 O ATOM 1971 OE2 GLU A 140 19.619 -1.744 -6.740 1.00 1.25 O ATOM 0 H GLU A 140 15.501 -2.351 -2.958 1.00 0.80 H new ATOM 0 HA GLU A 140 15.163 -0.401 -5.224 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.323 -3.222 -5.195 1.00 1.13 H new ATOM 0 HB3 GLU A 140 15.857 -2.387 -6.664 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.417 -0.500 -6.073 1.00 0.93 H new ATOM 0 HG3 GLU A 140 17.896 -1.359 -4.622 1.00 0.93 H new ATOM 1978 N PHE A 141 12.932 -1.438 -5.797 1.00 0.77 N ATOM 1979 CA PHE A 141 11.567 -2.007 -5.988 1.00 0.75 C ATOM 1980 C PHE A 141 11.384 -2.433 -7.447 1.00 0.72 C ATOM 1981 O PHE A 141 11.224 -1.611 -8.326 1.00 0.73 O ATOM 1982 CB PHE A 141 10.524 -0.945 -5.630 1.00 0.79 C ATOM 1983 CG PHE A 141 9.279 -1.614 -5.099 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.353 -2.446 -3.976 1.00 1.64 C ATOM 1985 CD2 PHE A 141 8.047 -1.399 -5.729 1.00 1.17 C ATOM 1986 CE1 PHE A 141 8.197 -3.063 -3.484 1.00 1.68 C ATOM 1987 CE2 PHE A 141 6.891 -2.016 -5.237 1.00 1.26 C ATOM 1988 CZ PHE A 141 6.965 -2.848 -4.114 1.00 1.00 C ATOM 0 H PHE A 141 13.118 -0.571 -6.301 1.00 0.77 H new ATOM 0 HA PHE A 141 11.442 -2.877 -5.343 1.00 0.75 H new ATOM 0 HB2 PHE A 141 10.928 -0.262 -4.883 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.281 -0.349 -6.510 1.00 0.79 H new ATOM 0 HD1 PHE A 141 10.302 -2.612 -3.489 1.00 1.64 H new ATOM 0 HD2 PHE A 141 7.989 -0.757 -6.595 1.00 1.17 H new ATOM 0 HE1 PHE A 141 8.255 -3.705 -2.618 1.00 1.68 H new ATOM 0 HE2 PHE A 141 5.942 -1.850 -5.724 1.00 1.26 H new ATOM 0 HZ PHE A 141 6.073 -3.324 -3.734 1.00 1.00 H new ATOM 1998 N CYS A 142 11.405 -3.712 -7.711 1.00 0.70 N ATOM 1999 CA CYS A 142 11.233 -4.190 -9.112 1.00 0.68 C ATOM 2000 C CYS A 142 9.792 -4.655 -9.330 1.00 0.68 C ATOM 2001 O CYS A 142 9.475 -5.818 -9.174 1.00 0.74 O ATOM 2002 CB CYS A 142 12.186 -5.358 -9.370 1.00 0.68 C ATOM 2003 SG CYS A 142 13.766 -4.735 -10.000 1.00 0.72 S ATOM 0 H CYS A 142 11.534 -4.447 -7.015 1.00 0.70 H new ATOM 0 HA CYS A 142 11.455 -3.374 -9.799 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.347 -5.918 -8.449 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.744 -6.048 -10.089 1.00 0.68 H new ATOM 2008 N ILE A 143 8.917 -3.759 -9.702 1.00 0.83 N ATOM 2009 CA ILE A 143 7.499 -4.155 -9.941 1.00 0.89 C ATOM 2010 C ILE A 143 7.250 -4.233 -11.445 1.00 0.92 C ATOM 2011 O ILE A 143 7.735 -3.426 -12.213 1.00 0.91 O ATOM 2012 CB ILE A 143 6.560 -3.135 -9.286 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.449 -2.716 -10.255 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.357 -1.898 -8.870 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.509 -1.731 -9.557 1.00 1.22 C ATOM 0 H ILE A 143 9.123 -2.771 -9.851 1.00 0.83 H new ATOM 0 HA ILE A 143 7.304 -5.132 -9.499 1.00 0.89 H new ATOM 0 HB ILE A 143 6.106 -3.599 -8.410 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.881 -2.256 -11.144 1.00 1.11 H new ATOM 0 HG13 ILE A 143 4.893 -3.592 -10.588 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.688 -1.174 -8.405 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.131 -2.186 -8.159 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.820 -1.451 -9.750 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.718 -1.432 -10.245 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.067 -2.208 -8.682 1.00 1.22 H new ATOM 0 HD13 ILE A 143 5.071 -0.850 -9.246 1.00 1.22 H new ATOM 2027 N SER A 144 6.499 -5.208 -11.864 1.00 1.00 N ATOM 2028 CA SER A 144 6.213 -5.359 -13.317 1.00 1.07 C ATOM 2029 C SER A 144 4.737 -5.706 -13.512 1.00 1.14 C ATOM 2030 O SER A 144 4.269 -5.862 -14.622 1.00 1.33 O ATOM 2031 CB SER A 144 7.078 -6.481 -13.892 1.00 1.17 C ATOM 2032 OG SER A 144 6.535 -7.736 -13.507 1.00 1.28 O ATOM 0 H SER A 144 6.069 -5.910 -11.262 1.00 1.00 H new ATOM 0 HA SER A 144 6.439 -4.425 -13.831 1.00 1.07 H new ATOM 0 HB2 SER A 144 7.116 -6.406 -14.979 1.00 1.17 H new ATOM 0 HB3 SER A 144 8.102 -6.388 -13.530 1.00 1.17 H new ATOM 0 HG SER A 144 7.086 -8.458 -13.875 1.00 1.28 H new ATOM 2038 N GLN A 145 4.000 -5.831 -12.443 1.00 1.08 N ATOM 2039 CA GLN A 145 2.555 -6.172 -12.580 1.00 1.29 C ATOM 2040 C GLN A 145 1.770 -5.593 -11.402 1.00 1.38 C ATOM 2041 O GLN A 145 2.334 -5.166 -10.414 1.00 1.99 O ATOM 2042 CB GLN A 145 2.391 -7.693 -12.603 1.00 1.40 C ATOM 2043 CG GLN A 145 3.670 -8.339 -13.138 1.00 1.94 C ATOM 2044 CD GLN A 145 3.498 -9.859 -13.173 1.00 2.35 C ATOM 2045 OE1 GLN A 145 2.355 -10.382 -12.822 1.00 2.30 O flip ATOM 2046 NE2 GLN A 145 4.413 -10.578 -13.522 1.00 3.30 N flip ATOM 0 H GLN A 145 4.333 -5.713 -11.486 1.00 1.08 H new ATOM 0 HA GLN A 145 2.173 -5.748 -13.509 1.00 1.29 H new ATOM 0 HB2 GLN A 145 2.178 -8.061 -11.599 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.543 -7.968 -13.230 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.889 -7.964 -14.138 1.00 1.94 H new ATOM 0 HG3 GLN A 145 4.517 -8.073 -12.505 1.00 1.94 H new ATOM 0 HE21 GLN A 145 5.306 -10.170 -13.796 1.00 3.30 H new ATOM 0 HE22 GLN A 145 4.288 -11.590 -13.541 1.00 3.30 H new ATOM 2055 N VAL A 146 0.469 -5.581 -11.499 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.358 -5.034 -10.388 1.00 1.53 C ATOM 2057 C VAL A 146 -1.840 -5.236 -10.710 1.00 1.48 C ATOM 2058 O VAL A 146 -2.355 -4.698 -11.670 1.00 1.44 O ATOM 2059 CB VAL A 146 -0.063 -3.542 -10.218 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -0.843 -2.743 -11.264 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.484 -3.091 -8.818 1.00 2.16 C ATOM 0 H VAL A 146 -0.057 -5.927 -12.301 1.00 1.54 H new ATOM 0 HA VAL A 146 -0.116 -5.555 -9.462 1.00 1.53 H new ATOM 0 HB VAL A 146 1.005 -3.369 -10.349 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -0.632 -1.681 -11.142 1.00 2.26 H new ATOM 0 HG12 VAL A 146 -0.542 -3.060 -12.263 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -1.911 -2.918 -11.134 1.00 2.26 H new ATOM 0 HG21 VAL A 146 -0.273 -2.028 -8.699 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -1.552 -3.266 -8.685 1.00 2.16 H new ATOM 0 HG23 VAL A 146 0.072 -3.657 -8.071 1.00 2.16 H new ATOM 2071 N SER A 147 -2.531 -6.011 -9.919 1.00 1.63 N ATOM 2072 CA SER A 147 -3.976 -6.245 -10.191 1.00 1.76 C ATOM 2073 C SER A 147 -4.784 -6.043 -8.907 1.00 2.04 C ATOM 2074 O SER A 147 -4.454 -6.570 -7.863 1.00 2.17 O ATOM 2075 CB SER A 147 -4.175 -7.674 -10.698 1.00 2.02 C ATOM 2076 OG SER A 147 -4.268 -7.658 -12.117 1.00 2.76 O ATOM 0 H SER A 147 -2.158 -6.490 -9.099 1.00 1.63 H new ATOM 0 HA SER A 147 -4.318 -5.538 -10.947 1.00 1.76 H new ATOM 0 HB2 SER A 147 -3.343 -8.304 -10.383 1.00 2.02 H new ATOM 0 HB3 SER A 147 -5.080 -8.103 -10.267 1.00 2.02 H new ATOM 0 HG SER A 147 -4.084 -6.754 -12.447 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.844 -5.285 -8.979 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.679 -5.051 -7.767 1.00 2.65 C ATOM 2084 C LEU A 148 -8.024 -5.761 -7.934 1.00 2.54 C ATOM 2085 O LEU A 148 -8.782 -5.471 -8.839 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.912 -3.547 -7.593 1.00 3.24 C ATOM 2087 CG LEU A 148 -8.151 -3.314 -6.724 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -8.022 -4.108 -5.424 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -8.268 -1.823 -6.400 1.00 3.26 C ATOM 0 H LEU A 148 -6.168 -4.817 -9.826 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.167 -5.443 -6.888 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -6.040 -3.085 -7.131 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -7.045 -3.075 -8.566 1.00 3.24 H new ATOM 0 HG LEU A 148 -9.040 -3.643 -7.262 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -8.905 -3.941 -4.807 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -7.935 -5.170 -5.653 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -7.134 -3.780 -4.884 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -9.149 -1.653 -5.781 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -7.378 -1.497 -5.862 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -8.360 -1.256 -7.326 1.00 3.26 H new ATOM 2101 N THR A 149 -8.328 -6.691 -7.070 1.00 2.09 N ATOM 2102 CA THR A 149 -9.624 -7.418 -7.185 1.00 2.24 C ATOM 2103 C THR A 149 -10.411 -7.268 -5.882 1.00 1.93 C ATOM 2104 O THR A 149 -9.934 -6.705 -4.917 1.00 1.84 O ATOM 2105 CB THR A 149 -9.354 -8.901 -7.449 1.00 2.53 C ATOM 2106 OG1 THR A 149 -10.408 -9.677 -6.898 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.028 -9.305 -6.803 1.00 2.42 C ATOM 0 H THR A 149 -7.736 -6.978 -6.291 1.00 2.09 H new ATOM 0 HA THR A 149 -10.203 -7.001 -8.009 1.00 2.24 H new ATOM 0 HB THR A 149 -9.298 -9.074 -8.524 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.045 -9.912 -7.605 1.00 3.07 H new ATOM 0 HG21 THR A 149 -7.838 -10.361 -6.992 1.00 2.42 H new ATOM 0 HG22 THR A 149 -7.220 -8.709 -7.228 1.00 2.42 H new ATOM 0 HG23 THR A 149 -8.080 -9.133 -5.728 1.00 2.42 H new ATOM 2115 N THR A 150 -11.617 -7.766 -5.847 1.00 1.92 N ATOM 2116 CA THR A 150 -12.435 -7.652 -4.607 1.00 1.72 C ATOM 2117 C THR A 150 -13.629 -8.602 -4.699 1.00 1.75 C ATOM 2118 O THR A 150 -13.995 -9.255 -3.742 1.00 2.00 O ATOM 2119 CB THR A 150 -12.929 -6.210 -4.456 1.00 1.59 C ATOM 2120 OG1 THR A 150 -13.061 -5.898 -3.077 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.284 -6.043 -5.150 1.00 1.66 C ATOM 0 H THR A 150 -12.071 -8.247 -6.624 1.00 1.92 H new ATOM 0 HA THR A 150 -11.830 -7.918 -3.740 1.00 1.72 H new ATOM 0 HB THR A 150 -12.208 -5.536 -4.918 1.00 1.59 H new ATOM 0 HG1 THR A 150 -12.674 -5.015 -2.903 1.00 1.52 H new ATOM 0 HG21 THR A 150 -14.626 -5.014 -5.037 1.00 1.66 H new ATOM 0 HG22 THR A 150 -14.181 -6.277 -6.210 1.00 1.66 H new ATOM 0 HG23 THR A 150 -15.010 -6.719 -4.698 1.00 1.66 H new