USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 637 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 59 HIS :FLIP no HD1:sc= -0.62 F(o=-2.7,f=-1.5) USER MOD Set 1.2: A 60 ASN : amide:sc= -0.872 K(o=-1.5,f=-6.5!) USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 5 HIS : no HD1:sc= -0.551 X(o=-1.1,f=-1.4) USER MOD Set 3.2: A 37 GLN : amide:sc= -0.575 K(o=-1.1,f=-6.2!) USER MOD Single : A 8 SER OG : rot 180:sc=0.000272 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 24 SER OG : rot 180:sc= -0.554 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.107 F(o=-0.64,f=-0.11) USER MOD Single : A 35 HIS : no HE2:sc= -0.561 K(o=-0.56,f=-5.7!) USER MOD Single : A 36 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.0087) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.16) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.896 K(o=0.9,f=-0.025) USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= 1.03 (180deg=0.0273!) USER MOD Single : A 62 ASN : amide:sc= -0.522 K(o=-0.52,f=-7.4!) USER MOD Single : A 65 ASN : amide:sc= -3.15! K(o=-3.1!,f=-4.2) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0.563 (180deg=0.534) USER MOD Single : A 76 ASN : amide:sc= 0.0714 K(o=0.071,f=-6!) USER MOD Single : A 79 TYR OH : rot -62:sc= 0.892 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.259 USER MOD Single : A 82 SER OG : rot -63:sc= 0.0351 USER MOD Single : A 84 ASN : amide:sc= 0.107 K(o=0.11,f=-6.3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 2 4.596 -4.202 11.816 1.00 -0.46 N ATOM 23 CA ASP A 2 6.022 -3.877 11.798 1.00 0.04 C ATOM 24 C ASP A 2 6.590 -4.122 10.414 1.00 0.62 C ATOM 25 O ASP A 2 7.542 -4.871 10.264 1.00 -0.50 O ATOM 26 CB ASP A 2 6.743 -4.712 12.889 1.00 -0.40 C ATOM 27 CG ASP A 2 8.217 -4.402 12.961 1.00 0.71 C ATOM 28 OD1 ASP A 2 8.623 -3.293 12.519 1.00 -0.72 O ATOM 29 OD2 ASP A 2 8.979 -5.271 13.463 1.00 -0.72 O ATOM 0 HA ASP A 2 6.177 -2.822 12.024 1.00 0.04 H new ATOM 0 HB2 ASP A 2 6.284 -4.515 13.858 1.00 -0.40 H new ATOM 0 HB3 ASP A 2 6.606 -5.773 12.682 1.00 -0.40 H new ATOM 34 N CYS A 3 5.990 -3.511 9.363 1.00 -0.46 N ATOM 35 CA CYS A 3 6.472 -3.758 8.003 1.00 0.04 C ATOM 36 C CYS A 3 6.614 -5.250 7.774 1.00 0.62 C ATOM 37 O CYS A 3 7.606 -5.682 7.210 1.00 -0.50 O ATOM 38 CB CYS A 3 7.784 -2.954 7.792 1.00 -0.10 C ATOM 39 SG CYS A 3 8.597 -3.167 6.169 1.00 0.82 S ATOM 0 H CYS A 3 5.201 -2.868 9.435 1.00 -0.46 H new ATOM 0 HA CYS A 3 5.761 -3.411 7.253 1.00 0.04 H new ATOM 0 HB2 CYS A 3 7.565 -1.895 7.931 1.00 -0.10 H new ATOM 0 HB3 CYS A 3 8.491 -3.238 8.571 1.00 -0.10 H new ATOM 44 N GLY A 4 5.604 -6.033 8.219 1.00 -0.46 N ATOM 45 CA GLY A 4 5.674 -7.493 8.139 1.00 0.04 C ATOM 46 C GLY A 4 4.270 -8.046 8.050 1.00 0.62 C ATOM 47 O GLY A 4 3.888 -8.557 7.010 1.00 -0.50 O ATOM 0 H GLY A 4 4.743 -5.674 8.632 1.00 -0.46 H new ATOM 0 HA2 GLY A 4 6.254 -7.795 7.267 1.00 0.04 H new ATOM 0 HA3 GLY A 4 6.183 -7.895 9.015 1.00 0.04 H new ATOM 51 N HIS A 5 3.453 -7.911 9.119 1.00 -0.46 N ATOM 52 CA HIS A 5 2.029 -8.227 8.982 1.00 0.04 C ATOM 53 C HIS A 5 1.471 -7.431 7.818 1.00 0.62 C ATOM 54 O HIS A 5 0.759 -7.985 6.996 1.00 -0.50 O ATOM 55 CB HIS A 5 1.267 -7.912 10.297 1.00 -0.10 C ATOM 56 CG HIS A 5 -0.232 -8.011 10.172 1.00 0.06 C ATOM 57 ND1 HIS A 5 -0.909 -8.874 9.471 1.00 -0.06 N ATOM 58 CD2 HIS A 5 -1.131 -7.226 10.773 1.00 -0.04 C ATOM 59 CE1 HIS A 5 -2.190 -8.687 9.585 1.00 0.11 C ATOM 60 NE2 HIS A 5 -2.292 -7.665 10.384 1.00 -0.06 N ATOM 0 H HIS A 5 3.746 -7.599 10.045 1.00 -0.46 H new ATOM 0 HA HIS A 5 1.901 -9.292 8.787 1.00 0.04 H new ATOM 0 HB2 HIS A 5 1.603 -8.599 11.074 1.00 -0.10 H new ATOM 0 HB3 HIS A 5 1.529 -6.906 10.625 1.00 -0.10 H new ATOM 0 HD2 HIS A 5 -0.935 -6.401 11.441 1.00 -0.04 H new ATOM 0 HE1 HIS A 5 -2.987 -9.250 9.123 1.00 0.11 H new ATOM 0 HE2 HIS A 5 -3.180 -7.255 10.672 1.00 -0.06 H new ATOM 69 N VAL A 6 1.814 -6.127 7.719 1.00 -0.46 N ATOM 70 CA VAL A 6 1.490 -5.361 6.510 1.00 0.04 C ATOM 71 C VAL A 6 1.922 -6.142 5.287 1.00 0.62 C ATOM 72 O VAL A 6 1.093 -6.426 4.436 1.00 -0.50 O ATOM 73 CB VAL A 6 2.162 -3.949 6.536 1.00 -0.01 C ATOM 74 CG1 VAL A 6 2.278 -3.299 5.129 1.00 -0.09 C ATOM 75 CG2 VAL A 6 1.378 -3.000 7.485 1.00 -0.09 C ATOM 0 H VAL A 6 2.302 -5.601 8.444 1.00 -0.46 H new ATOM 0 HA VAL A 6 0.412 -5.205 6.472 1.00 0.04 H new ATOM 0 HB VAL A 6 3.177 -4.098 6.904 1.00 -0.01 H new ATOM 0 HG11 VAL A 6 2.753 -2.322 5.218 1.00 -0.09 H new ATOM 0 HG12 VAL A 6 2.880 -3.937 4.482 1.00 -0.09 H new ATOM 0 HG13 VAL A 6 1.283 -3.181 4.699 1.00 -0.09 H new ATOM 0 HG21 VAL A 6 1.855 -2.020 7.495 1.00 -0.09 H new ATOM 0 HG22 VAL A 6 0.351 -2.900 7.133 1.00 -0.09 H new ATOM 0 HG23 VAL A 6 1.377 -3.413 8.494 1.00 -0.09 H new ATOM 85 N ASP A 7 3.221 -6.500 5.179 1.00 -0.46 N ATOM 86 CA ASP A 7 3.680 -7.201 3.982 1.00 0.04 C ATOM 87 C ASP A 7 2.813 -8.414 3.703 1.00 0.62 C ATOM 88 O ASP A 7 2.368 -8.595 2.581 1.00 -0.50 O ATOM 89 CB ASP A 7 5.172 -7.610 4.096 1.00 -0.40 C ATOM 90 CG ASP A 7 5.607 -8.341 2.856 1.00 0.71 C ATOM 91 OD1 ASP A 7 5.662 -7.698 1.775 1.00 -0.72 O ATOM 92 OD2 ASP A 7 5.900 -9.566 2.948 1.00 -0.72 O ATOM 0 H ASP A 7 3.938 -6.320 5.882 1.00 -0.46 H new ATOM 0 HA ASP A 7 3.590 -6.511 3.143 1.00 0.04 H new ATOM 0 HB2 ASP A 7 5.790 -6.723 4.240 1.00 -0.40 H new ATOM 0 HB3 ASP A 7 5.317 -8.244 4.970 1.00 -0.40 H new ATOM 97 N SER A 8 2.530 -9.264 4.712 1.00 -0.46 N ATOM 98 CA SER A 8 1.696 -10.439 4.460 1.00 0.04 C ATOM 99 C SER A 8 0.449 -10.093 3.672 1.00 0.62 C ATOM 100 O SER A 8 0.089 -10.833 2.770 1.00 -0.50 O ATOM 101 CB SER A 8 1.258 -11.096 5.797 1.00 0.02 C ATOM 102 OG SER A 8 2.383 -11.278 6.673 1.00 -0.55 O ATOM 0 H SER A 8 2.857 -9.159 5.673 1.00 -0.46 H new ATOM 0 HA SER A 8 2.304 -11.131 3.877 1.00 0.04 H new ATOM 0 HB2 SER A 8 0.509 -10.472 6.285 1.00 0.02 H new ATOM 0 HB3 SER A 8 0.789 -12.059 5.597 1.00 0.02 H new ATOM 0 HG SER A 8 2.083 -11.692 7.509 1.00 -0.55 H new ATOM 108 N LEU A 9 -0.227 -8.968 4.002 1.00 -0.46 N ATOM 109 CA LEU A 9 -1.475 -8.628 3.317 1.00 0.04 C ATOM 110 C LEU A 9 -1.256 -8.003 1.950 1.00 0.62 C ATOM 111 O LEU A 9 -2.197 -8.011 1.170 1.00 -0.50 O ATOM 112 CB LEU A 9 -2.368 -7.699 4.187 1.00 -0.06 C ATOM 113 CG LEU A 9 -2.628 -8.196 5.643 1.00 -0.01 C ATOM 114 CD1 LEU A 9 -3.681 -7.279 6.326 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -3.103 -9.674 5.687 1.00 -0.11 C ATOM 0 H LEU A 9 0.067 -8.304 4.718 1.00 -0.46 H new ATOM 0 HA LEU A 9 -1.990 -9.576 3.161 1.00 0.04 H new ATOM 0 HB2 LEU A 9 -1.902 -6.715 4.234 1.00 -0.06 H new ATOM 0 HB3 LEU A 9 -3.328 -7.573 3.687 1.00 -0.06 H new ATOM 0 HG LEU A 9 -1.682 -8.146 6.182 1.00 -0.01 H new ATOM 0 HD11 LEU A 9 -3.862 -7.627 7.343 1.00 -0.11 H new ATOM 0 HD12 LEU A 9 -3.308 -6.255 6.354 1.00 -0.11 H new ATOM 0 HD13 LEU A 9 -4.612 -7.311 5.761 1.00 -0.11 H new ATOM 0 HD21 LEU A 9 -3.270 -9.972 6.722 1.00 -0.11 H new ATOM 0 HD22 LEU A 9 -4.032 -9.774 5.126 1.00 -0.11 H new ATOM 0 HD23 LEU A 9 -2.341 -10.315 5.244 1.00 -0.11 H new ATOM 127 N VAL A 10 -0.063 -7.462 1.604 1.00 -0.46 N ATOM 128 CA VAL A 10 0.136 -6.955 0.239 1.00 0.04 C ATOM 129 C VAL A 10 0.360 -8.098 -0.722 1.00 0.62 C ATOM 130 O VAL A 10 -0.051 -7.980 -1.864 1.00 -0.50 O ATOM 131 CB VAL A 10 1.283 -5.920 0.036 1.00 -0.01 C ATOM 132 CG1 VAL A 10 1.198 -4.818 1.117 1.00 -0.09 C ATOM 133 CG2 VAL A 10 2.716 -6.522 -0.014 1.00 -0.09 C ATOM 0 H VAL A 10 0.740 -7.370 2.226 1.00 -0.46 H new ATOM 0 HA VAL A 10 -0.789 -6.414 0.039 1.00 0.04 H new ATOM 0 HB VAL A 10 1.121 -5.499 -0.956 1.00 -0.01 H new ATOM 0 HG11 VAL A 10 2.003 -4.099 0.968 1.00 -0.09 H new ATOM 0 HG12 VAL A 10 0.238 -4.308 1.042 1.00 -0.09 H new ATOM 0 HG13 VAL A 10 1.293 -5.269 2.105 1.00 -0.09 H new ATOM 0 HG21 VAL A 10 3.442 -5.722 -0.158 1.00 -0.09 H new ATOM 0 HG22 VAL A 10 2.926 -7.039 0.922 1.00 -0.09 H new ATOM 0 HG23 VAL A 10 2.785 -7.228 -0.841 1.00 -0.09 H new ATOM 143 N ARG A 11 1.012 -9.204 -0.301 1.00 -0.46 N ATOM 144 CA ARG A 11 1.313 -10.288 -1.238 1.00 0.04 C ATOM 145 C ARG A 11 0.154 -10.595 -2.181 1.00 0.62 C ATOM 146 O ARG A 11 0.391 -10.533 -3.378 1.00 -0.50 O ATOM 147 CB ARG A 11 1.893 -11.565 -0.559 1.00 -0.08 C ATOM 148 CG ARG A 11 3.157 -11.352 0.335 1.00 -0.10 C ATOM 149 CD ARG A 11 4.339 -10.627 -0.371 1.00 -0.23 C ATOM 150 NE ARG A 11 5.496 -10.477 0.519 1.00 -0.32 N ATOM 151 CZ ARG A 11 6.657 -9.980 0.146 1.00 0.76 C ATOM 152 NH1 ARG A 11 6.903 -9.587 -1.080 1.00 -0.62 N ATOM 153 NH2 ARG A 11 7.618 -9.868 1.030 1.00 -0.62 N ATOM 0 H ARG A 11 1.329 -9.361 0.656 1.00 -0.46 H new ATOM 0 HA ARG A 11 2.121 -9.906 -1.861 1.00 0.04 H new ATOM 0 HB2 ARG A 11 1.111 -12.014 0.053 1.00 -0.08 H new ATOM 0 HB3 ARG A 11 2.141 -12.286 -1.338 1.00 -0.08 H new ATOM 0 HG2 ARG A 11 2.870 -10.777 1.215 1.00 -0.10 H new ATOM 0 HG3 ARG A 11 3.503 -12.323 0.688 1.00 -0.10 H new ATOM 0 HD2 ARG A 11 4.633 -11.189 -1.257 1.00 -0.23 H new ATOM 0 HD3 ARG A 11 4.012 -9.644 -0.711 1.00 -0.23 H new ATOM 0 HE ARG A 11 5.394 -10.777 1.489 1.00 -0.32 H new ATOM 0 HH11 ARG A 11 6.178 -9.660 -1.794 1.00 -0.62 H new ATOM 0 HH12 ARG A 11 7.819 -9.208 -1.320 1.00 -0.62 H new ATOM 0 HH21 ARG A 11 7.462 -10.164 1.993 1.00 -0.62 H new ATOM 0 HH22 ARG A 11 8.522 -9.485 0.755 1.00 -0.62 H new ATOM 167 N PRO A 12 -1.110 -10.896 -1.775 1.00 -0.23 N ATOM 168 CA PRO A 12 -2.156 -11.108 -2.773 1.00 0.04 C ATOM 169 C PRO A 12 -2.467 -9.859 -3.575 1.00 0.53 C ATOM 170 O PRO A 12 -2.922 -9.984 -4.701 1.00 -0.50 O ATOM 171 CB PRO A 12 -3.337 -11.519 -1.856 1.00 -0.12 C ATOM 172 CG PRO A 12 -3.022 -10.828 -0.510 1.00 -0.12 C ATOM 173 CD PRO A 12 -1.493 -11.017 -0.373 1.00 -0.01 C ATOM 0 HA PRO A 12 -1.897 -11.835 -3.543 1.00 0.04 H new ATOM 0 HB2 PRO A 12 -4.292 -11.186 -2.262 1.00 -0.12 H new ATOM 0 HB3 PRO A 12 -3.398 -12.602 -1.744 1.00 -0.12 H new ATOM 0 HG2 PRO A 12 -3.299 -9.774 -0.523 1.00 -0.12 H new ATOM 0 HG3 PRO A 12 -3.562 -11.290 0.317 1.00 -0.12 H new ATOM 0 HD2 PRO A 12 -1.031 -10.255 0.255 1.00 -0.01 H new ATOM 0 HD3 PRO A 12 -1.227 -11.985 0.052 1.00 -0.01 H new ATOM 181 N CYS A 13 -2.238 -8.638 -3.041 1.00 -0.46 N ATOM 182 CA CYS A 13 -2.436 -7.430 -3.842 1.00 0.04 C ATOM 183 C CYS A 13 -1.356 -7.270 -4.890 1.00 0.62 C ATOM 184 O CYS A 13 -1.621 -6.626 -5.894 1.00 -0.50 O ATOM 185 CB CYS A 13 -2.403 -6.156 -2.953 1.00 -0.10 C ATOM 186 SG CYS A 13 -3.567 -6.305 -1.561 1.00 0.82 S ATOM 0 H CYS A 13 -1.925 -8.474 -2.084 1.00 -0.46 H new ATOM 0 HA CYS A 13 -3.409 -7.542 -4.320 1.00 0.04 H new ATOM 0 HB2 CYS A 13 -1.394 -5.999 -2.573 1.00 -0.10 H new ATOM 0 HB3 CYS A 13 -2.657 -5.282 -3.553 1.00 -0.10 H new ATOM 191 N LEU A 14 -0.132 -7.811 -4.681 1.00 -0.46 N ATOM 192 CA LEU A 14 0.958 -7.494 -5.601 1.00 0.04 C ATOM 193 C LEU A 14 0.618 -7.783 -7.044 1.00 0.62 C ATOM 194 O LEU A 14 1.021 -7.009 -7.899 1.00 -0.50 O ATOM 195 CB LEU A 14 2.345 -8.078 -5.222 1.00 -0.06 C ATOM 196 CG LEU A 14 2.938 -7.494 -3.901 1.00 -0.01 C ATOM 197 CD1 LEU A 14 4.293 -8.187 -3.589 1.00 -0.11 C ATOM 198 CD2 LEU A 14 3.142 -5.949 -3.927 1.00 -0.11 C ATOM 0 H LEU A 14 0.109 -8.441 -3.915 1.00 -0.46 H new ATOM 0 HA LEU A 14 1.064 -6.415 -5.489 1.00 0.04 H new ATOM 0 HB2 LEU A 14 2.258 -9.160 -5.122 1.00 -0.06 H new ATOM 0 HB3 LEU A 14 3.043 -7.888 -6.037 1.00 -0.06 H new ATOM 0 HG LEU A 14 2.204 -7.696 -3.121 1.00 -0.01 H new ATOM 0 HD11 LEU A 14 4.707 -7.779 -2.667 1.00 -0.11 H new ATOM 0 HD12 LEU A 14 4.135 -9.259 -3.473 1.00 -0.11 H new ATOM 0 HD13 LEU A 14 4.990 -8.010 -4.408 1.00 -0.11 H new ATOM 0 HD21 LEU A 14 3.557 -5.621 -2.974 1.00 -0.11 H new ATOM 0 HD22 LEU A 14 3.829 -5.686 -4.732 1.00 -0.11 H new ATOM 0 HD23 LEU A 14 2.183 -5.458 -4.094 1.00 -0.11 H new ATOM 210 N SER A 15 -0.133 -8.860 -7.356 1.00 -0.46 N ATOM 211 CA SER A 15 -0.536 -9.078 -8.746 1.00 0.04 C ATOM 212 C SER A 15 -1.090 -7.810 -9.368 1.00 0.62 C ATOM 213 O SER A 15 -0.751 -7.498 -10.498 1.00 -0.50 O ATOM 214 CB SER A 15 -1.628 -10.178 -8.815 1.00 0.02 C ATOM 215 OG SER A 15 -1.184 -11.375 -8.155 1.00 -0.55 O ATOM 0 H SER A 15 -0.458 -9.561 -6.690 1.00 -0.46 H new ATOM 0 HA SER A 15 0.351 -9.386 -9.300 1.00 0.04 H new ATOM 0 HB2 SER A 15 -2.545 -9.818 -8.348 1.00 0.02 H new ATOM 0 HB3 SER A 15 -1.866 -10.397 -9.856 1.00 0.02 H new ATOM 0 HG SER A 15 -1.886 -12.057 -8.207 1.00 -0.55 H new ATOM 221 N TYR A 16 -1.948 -7.063 -8.638 1.00 -0.46 N ATOM 222 CA TYR A 16 -2.563 -5.853 -9.199 1.00 0.04 C ATOM 223 C TYR A 16 -1.610 -4.678 -9.109 1.00 0.62 C ATOM 224 O TYR A 16 -1.456 -3.961 -10.087 1.00 -0.50 O ATOM 225 CB TYR A 16 -3.876 -5.580 -8.420 1.00 -0.10 C ATOM 226 CG TYR A 16 -4.859 -4.600 -9.087 1.00 -0.03 C ATOM 227 CD1 TYR A 16 -4.581 -3.234 -9.199 1.00 0.00 C ATOM 228 CD2 TYR A 16 -6.082 -5.066 -9.581 1.00 0.00 C ATOM 229 CE1 TYR A 16 -5.564 -2.346 -9.648 1.00 -0.26 C ATOM 230 CE2 TYR A 16 -7.035 -4.191 -10.109 1.00 -0.26 C ATOM 231 CZ TYR A 16 -6.798 -2.817 -10.107 1.00 0.46 C ATOM 232 OH TYR A 16 -7.795 -1.948 -10.559 1.00 -0.53 O ATOM 0 H TYR A 16 -2.222 -7.276 -7.679 1.00 -0.46 H new ATOM 0 HA TYR A 16 -2.788 -5.996 -10.256 1.00 0.04 H new ATOM 0 HB2 TYR A 16 -4.388 -6.529 -8.264 1.00 -0.10 H new ATOM 0 HB3 TYR A 16 -3.618 -5.192 -7.435 1.00 -0.10 H new ATOM 0 HD1 TYR A 16 -3.601 -2.862 -8.937 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.294 -6.125 -9.554 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.368 -1.284 -9.640 1.00 -0.26 H new ATOM 0 HE2 TYR A 16 -7.956 -4.579 -10.519 1.00 -0.26 H new ATOM 0 HH TYR A 16 -8.579 -2.466 -10.837 1.00 -0.53 H new ATOM 242 N VAL A 17 -0.957 -4.470 -7.940 1.00 -0.46 N ATOM 243 CA VAL A 17 -0.006 -3.359 -7.793 1.00 0.04 C ATOM 244 C VAL A 17 0.982 -3.426 -8.939 1.00 0.62 C ATOM 245 O VAL A 17 1.264 -2.417 -9.567 1.00 -0.50 O ATOM 246 CB VAL A 17 0.763 -3.436 -6.434 1.00 -0.01 C ATOM 247 CG1 VAL A 17 1.965 -2.464 -6.309 1.00 -0.09 C ATOM 248 CG2 VAL A 17 -0.157 -3.242 -5.197 1.00 -0.09 C ATOM 0 H VAL A 17 -1.072 -5.047 -7.107 1.00 -0.46 H new ATOM 0 HA VAL A 17 -0.557 -2.418 -7.807 1.00 0.04 H new ATOM 0 HB VAL A 17 1.155 -4.453 -6.443 1.00 -0.01 H new ATOM 0 HG11 VAL A 17 2.435 -2.590 -5.334 1.00 -0.09 H new ATOM 0 HG12 VAL A 17 2.691 -2.681 -7.092 1.00 -0.09 H new ATOM 0 HG13 VAL A 17 1.615 -1.437 -6.413 1.00 -0.09 H new ATOM 0 HG21 VAL A 17 0.439 -3.307 -4.287 1.00 -0.09 H new ATOM 0 HG22 VAL A 17 -0.635 -2.264 -5.249 1.00 -0.09 H new ATOM 0 HG23 VAL A 17 -0.921 -4.019 -5.186 1.00 -0.09 H new ATOM 258 N GLN A 18 1.517 -4.635 -9.217 1.00 -0.46 N ATOM 259 CA GLN A 18 2.475 -4.796 -10.308 1.00 0.04 C ATOM 260 C GLN A 18 1.752 -4.745 -11.637 1.00 0.62 C ATOM 261 O GLN A 18 2.170 -3.995 -12.506 1.00 -0.50 O ATOM 262 CB GLN A 18 3.302 -6.100 -10.131 1.00 -0.10 C ATOM 263 CG GLN A 18 4.151 -6.041 -8.827 1.00 -0.10 C ATOM 264 CD GLN A 18 4.884 -7.326 -8.530 1.00 0.68 C ATOM 265 OE1 GLN A 18 4.876 -8.240 -9.338 1.00 -0.47 O ATOM 266 NE2 GLN A 18 5.540 -7.424 -7.356 1.00 -0.87 N ATOM 0 H GLN A 18 1.301 -5.492 -8.707 1.00 -0.46 H new ATOM 0 HA GLN A 18 3.188 -3.972 -10.288 1.00 0.04 H new ATOM 0 HB2 GLN A 18 2.632 -6.959 -10.096 1.00 -0.10 H new ATOM 0 HB3 GLN A 18 3.957 -6.241 -10.991 1.00 -0.10 H new ATOM 0 HG2 GLN A 18 4.874 -5.230 -8.910 1.00 -0.10 H new ATOM 0 HG3 GLN A 18 3.498 -5.802 -7.988 1.00 -0.10 H new ATOM 0 HE21 GLN A 18 5.530 -6.644 -6.699 1.00 -0.87 H new ATOM 0 HE22 GLN A 18 6.047 -8.279 -7.125 1.00 -0.87 H new ATOM 275 N GLY A 19 0.662 -5.525 -11.811 1.00 -0.46 N ATOM 276 CA GLY A 19 -0.069 -5.498 -13.078 1.00 0.04 C ATOM 277 C GLY A 19 -1.046 -6.652 -13.172 1.00 0.62 C ATOM 278 O GLY A 19 -0.618 -7.752 -13.484 1.00 -0.50 O ATOM 0 H GLY A 19 0.285 -6.160 -11.108 1.00 -0.46 H new ATOM 0 HA2 GLY A 19 -0.607 -4.554 -13.170 1.00 0.04 H new ATOM 0 HA3 GLY A 19 0.635 -5.546 -13.908 1.00 0.04 H new ATOM 282 N GLY A 20 -2.355 -6.447 -12.894 1.00 -0.46 N ATOM 283 CA GLY A 20 -3.296 -7.567 -12.927 1.00 0.04 C ATOM 284 C GLY A 20 -4.709 -7.156 -12.567 1.00 0.62 C ATOM 285 O GLY A 20 -4.857 -6.065 -12.038 1.00 -0.50 O ATOM 0 H GLY A 20 -2.764 -5.544 -12.653 1.00 -0.46 H new ATOM 0 HA2 GLY A 20 -3.293 -8.009 -13.923 1.00 0.04 H new ATOM 0 HA3 GLY A 20 -2.959 -8.339 -12.235 1.00 0.04 H new ATOM 289 N PRO A 21 -5.764 -7.973 -12.825 1.00 -0.23 N ATOM 290 CA PRO A 21 -7.124 -7.552 -12.505 1.00 0.04 C ATOM 291 C PRO A 21 -7.489 -7.840 -11.066 1.00 0.53 C ATOM 292 O PRO A 21 -6.710 -8.475 -10.373 1.00 -0.50 O ATOM 293 CB PRO A 21 -7.898 -8.513 -13.440 1.00 -0.12 C ATOM 294 CG PRO A 21 -7.049 -9.805 -13.385 1.00 -0.12 C ATOM 295 CD PRO A 21 -5.597 -9.273 -13.462 1.00 -0.01 C ATOM 0 HA PRO A 21 -7.309 -6.485 -12.630 1.00 0.04 H new ATOM 0 HB2 PRO A 21 -8.916 -8.683 -13.091 1.00 -0.12 H new ATOM 0 HB3 PRO A 21 -7.970 -8.120 -14.454 1.00 -0.12 H new ATOM 0 HG2 PRO A 21 -7.225 -10.365 -12.466 1.00 -0.12 H new ATOM 0 HG3 PRO A 21 -7.278 -10.474 -14.215 1.00 -0.12 H new ATOM 0 HD2 PRO A 21 -4.892 -9.910 -12.928 1.00 -0.01 H new ATOM 0 HD3 PRO A 21 -5.238 -9.190 -14.488 1.00 -0.01 H new ATOM 303 N GLY A 22 -8.679 -7.376 -10.611 1.00 -0.46 N ATOM 304 CA GLY A 22 -9.122 -7.618 -9.235 1.00 0.04 C ATOM 305 C GLY A 22 -9.004 -6.353 -8.406 1.00 0.62 C ATOM 306 O GLY A 22 -9.714 -5.418 -8.743 1.00 -0.50 O ATOM 0 H GLY A 22 -9.336 -6.839 -11.177 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 -10.156 -7.964 -9.235 1.00 0.04 H new ATOM 0 HA3 GLY A 22 -8.521 -8.410 -8.788 1.00 0.04 H new ATOM 310 N PRO A 23 -8.172 -6.229 -7.337 1.00 -0.23 N ATOM 311 CA PRO A 23 -7.308 -7.310 -6.881 1.00 0.04 C ATOM 312 C PRO A 23 -8.111 -8.381 -6.178 1.00 0.53 C ATOM 313 O PRO A 23 -9.316 -8.233 -6.050 1.00 -0.50 O ATOM 314 CB PRO A 23 -6.438 -6.522 -5.873 1.00 -0.12 C ATOM 315 CG PRO A 23 -7.413 -5.473 -5.300 1.00 -0.12 C ATOM 316 CD PRO A 23 -8.133 -4.985 -6.580 1.00 -0.01 C ATOM 0 HA PRO A 23 -6.762 -7.838 -7.663 1.00 0.04 H new ATOM 0 HB2 PRO A 23 -6.042 -7.171 -5.092 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 -5.584 -6.052 -6.361 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 -8.107 -5.908 -4.580 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 -6.891 -4.664 -4.790 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 -9.128 -4.591 -6.374 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 -7.580 -4.200 -7.096 1.00 -0.01 H new ATOM 324 N SER A 24 -7.451 -9.470 -5.724 1.00 -0.46 N ATOM 325 CA SER A 24 -8.187 -10.587 -5.124 1.00 0.04 C ATOM 326 C SER A 24 -9.085 -10.189 -3.970 1.00 0.62 C ATOM 327 O SER A 24 -8.974 -9.090 -3.447 1.00 -0.50 O ATOM 328 CB SER A 24 -7.215 -11.698 -4.643 1.00 0.02 C ATOM 329 OG SER A 24 -7.958 -12.725 -3.961 1.00 -0.55 O ATOM 0 H SER A 24 -6.439 -9.592 -5.763 1.00 -0.46 H new ATOM 0 HA SER A 24 -8.831 -10.959 -5.921 1.00 0.04 H new ATOM 0 HB2 SER A 24 -6.683 -12.124 -5.494 1.00 0.02 H new ATOM 0 HB3 SER A 24 -6.464 -11.275 -3.976 1.00 0.02 H new ATOM 0 HG SER A 24 -7.344 -13.427 -3.659 1.00 -0.55 H new ATOM 335 N GLY A 25 -9.997 -11.095 -3.544 1.00 -0.46 N ATOM 336 CA GLY A 25 -10.864 -10.791 -2.409 1.00 0.04 C ATOM 337 C GLY A 25 -10.036 -10.660 -1.154 1.00 0.62 C ATOM 338 O GLY A 25 -10.184 -9.682 -0.438 1.00 -0.50 O ATOM 0 H GLY A 25 -10.141 -12.014 -3.963 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 -11.410 -9.866 -2.594 1.00 0.04 H new ATOM 0 HA3 GLY A 25 -11.606 -11.579 -2.285 1.00 0.04 H new ATOM 342 N GLN A 26 -9.141 -11.634 -0.871 1.00 -0.46 N ATOM 343 CA GLN A 26 -8.289 -11.507 0.312 1.00 0.04 C ATOM 344 C GLN A 26 -7.535 -10.198 0.242 1.00 0.62 C ATOM 345 O GLN A 26 -7.449 -9.502 1.240 1.00 -0.50 O ATOM 346 CB GLN A 26 -7.299 -12.697 0.447 1.00 -0.10 C ATOM 347 CG GLN A 26 -6.433 -12.579 1.732 1.00 -0.10 C ATOM 348 CD GLN A 26 -5.640 -13.839 1.989 1.00 0.68 C ATOM 349 OE1 GLN A 26 -5.889 -14.511 2.977 1.00 -0.47 O ATOM 350 NE2 GLN A 26 -4.673 -14.198 1.123 1.00 -0.87 N ATOM 0 H GLN A 26 -8.999 -12.479 -1.425 1.00 -0.46 H new ATOM 0 HA GLN A 26 -8.926 -11.522 1.196 1.00 0.04 H new ATOM 0 HB2 GLN A 26 -7.856 -13.634 0.468 1.00 -0.10 H new ATOM 0 HB3 GLN A 26 -6.650 -12.732 -0.428 1.00 -0.10 H new ATOM 0 HG2 GLN A 26 -5.752 -11.734 1.635 1.00 -0.10 H new ATOM 0 HG3 GLN A 26 -7.077 -12.373 2.587 1.00 -0.10 H new ATOM 0 HE21 GLN A 26 -4.482 -13.621 0.304 1.00 -0.87 H new ATOM 0 HE22 GLN A 26 -4.132 -15.047 1.286 1.00 -0.87 H new ATOM 359 N CYS A 27 -6.993 -9.816 -0.937 1.00 -0.46 N ATOM 360 CA CYS A 27 -6.378 -8.496 -1.040 1.00 0.04 C ATOM 361 C CYS A 27 -7.401 -7.433 -0.713 1.00 0.62 C ATOM 362 O CYS A 27 -7.029 -6.514 -0.006 1.00 -0.50 O ATOM 363 CB CYS A 27 -5.814 -8.170 -2.444 1.00 -0.10 C ATOM 364 SG CYS A 27 -5.360 -6.397 -2.505 1.00 0.82 S ATOM 0 H CYS A 27 -6.973 -10.380 -1.787 1.00 -0.46 H new ATOM 0 HA CYS A 27 -5.546 -8.507 -0.336 1.00 0.04 H new ATOM 0 HB2 CYS A 27 -4.942 -8.790 -2.653 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 -6.556 -8.395 -3.210 1.00 -0.10 H new ATOM 369 N CYS A 28 -8.658 -7.489 -1.209 1.00 -0.46 N ATOM 370 CA CYS A 28 -9.618 -6.440 -0.856 1.00 0.04 C ATOM 371 C CYS A 28 -9.757 -6.351 0.651 1.00 0.62 C ATOM 372 O CYS A 28 -9.715 -5.253 1.184 1.00 -0.50 O ATOM 373 CB CYS A 28 -11.015 -6.635 -1.495 1.00 -0.10 C ATOM 374 SG CYS A 28 -10.898 -6.619 -3.317 1.00 0.82 S ATOM 0 H CYS A 28 -9.013 -8.219 -1.827 1.00 -0.46 H new ATOM 0 HA CYS A 28 -9.216 -5.511 -1.260 1.00 0.04 H new ATOM 0 HB2 CYS A 28 -11.445 -7.580 -1.161 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 -11.687 -5.844 -1.162 1.00 -0.10 H new ATOM 379 N ASP A 29 -9.895 -7.482 1.377 1.00 -0.46 N ATOM 380 CA ASP A 29 -9.867 -7.391 2.839 1.00 0.04 C ATOM 381 C ASP A 29 -8.564 -6.737 3.253 1.00 0.62 C ATOM 382 O ASP A 29 -8.552 -5.868 4.111 1.00 -0.50 O ATOM 383 CB ASP A 29 -10.020 -8.781 3.507 1.00 -0.40 C ATOM 384 CG ASP A 29 -9.935 -8.617 5.001 1.00 0.71 C ATOM 385 OD1 ASP A 29 -10.913 -8.102 5.608 1.00 -0.72 O ATOM 386 OD2 ASP A 29 -8.876 -8.980 5.578 1.00 -0.72 O ATOM 0 H ASP A 29 -10.020 -8.419 0.994 1.00 -0.46 H new ATOM 0 HA ASP A 29 -10.712 -6.790 3.174 1.00 0.04 H new ATOM 0 HB2 ASP A 29 -10.975 -9.229 3.231 1.00 -0.40 H new ATOM 0 HB3 ASP A 29 -9.238 -9.455 3.157 1.00 -0.40 H new ATOM 391 N GLY A 30 -7.433 -7.126 2.627 1.00 -0.46 N ATOM 392 CA GLY A 30 -6.183 -6.417 2.876 1.00 0.04 C ATOM 393 C GLY A 30 -6.341 -4.933 2.645 1.00 0.62 C ATOM 394 O GLY A 30 -5.875 -4.169 3.468 1.00 -0.50 O ATOM 0 H GLY A 30 -7.369 -7.902 1.968 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 -5.859 -6.596 3.901 1.00 0.04 H new ATOM 0 HA3 GLY A 30 -5.403 -6.808 2.222 1.00 0.04 H new ATOM 398 N VAL A 31 -6.984 -4.470 1.552 1.00 -0.46 N ATOM 399 CA VAL A 31 -7.127 -3.030 1.323 1.00 0.04 C ATOM 400 C VAL A 31 -7.796 -2.425 2.540 1.00 0.62 C ATOM 401 O VAL A 31 -7.311 -1.439 3.076 1.00 -0.50 O ATOM 402 CB VAL A 31 -7.934 -2.716 0.025 1.00 -0.01 C ATOM 403 CG1 VAL A 31 -8.264 -1.205 -0.091 1.00 -0.09 C ATOM 404 CG2 VAL A 31 -7.175 -3.188 -1.247 1.00 -0.09 C ATOM 0 H VAL A 31 -7.401 -5.062 0.834 1.00 -0.46 H new ATOM 0 HA VAL A 31 -6.140 -2.592 1.176 1.00 0.04 H new ATOM 0 HB VAL A 31 -8.870 -3.270 0.097 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 -8.826 -1.025 -1.007 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 -8.860 -0.896 0.768 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 -7.338 -0.631 -0.115 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 -7.767 -2.953 -2.132 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 -6.214 -2.678 -1.307 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 -7.012 -4.264 -1.195 1.00 -0.09 H new ATOM 414 N LYS A 32 -8.917 -3.027 2.997 1.00 -0.46 N ATOM 415 CA LYS A 32 -9.572 -2.536 4.210 1.00 0.04 C ATOM 416 C LYS A 32 -8.561 -2.475 5.334 1.00 0.62 C ATOM 417 O LYS A 32 -8.347 -1.403 5.881 1.00 -0.50 O ATOM 418 CB LYS A 32 -10.818 -3.411 4.543 1.00 -0.10 C ATOM 419 CG LYS A 32 -11.550 -3.084 5.878 1.00 -0.16 C ATOM 420 CD LYS A 32 -10.741 -3.483 7.150 1.00 -0.18 C ATOM 421 CE LYS A 32 -11.630 -3.777 8.393 1.00 -0.04 C ATOM 422 NZ LYS A 32 -12.256 -5.123 8.347 1.00 -0.14 N ATOM 0 H LYS A 32 -9.368 -3.828 2.555 1.00 -0.46 H new ATOM 0 HA LYS A 32 -9.946 -1.523 4.059 1.00 0.04 H new ATOM 0 HB2 LYS A 32 -11.534 -3.313 3.727 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 -10.506 -4.455 4.570 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 -11.762 -2.015 5.913 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 -12.510 -3.600 5.892 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 -10.142 -4.366 6.926 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 -10.046 -2.680 7.394 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 -11.024 -3.694 9.295 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 -12.411 -3.020 8.463 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 -12.836 -5.265 9.198 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 -12.857 -5.197 7.502 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 -11.513 -5.850 8.309 1.00 -0.14 H new ATOM 436 N ASN A 33 -7.925 -3.610 5.701 1.00 -0.46 N ATOM 437 CA ASN A 33 -7.022 -3.596 6.851 1.00 0.04 C ATOM 438 C ASN A 33 -5.813 -2.730 6.573 1.00 0.62 C ATOM 439 O ASN A 33 -5.614 -1.769 7.297 1.00 -0.50 O ATOM 440 CB ASN A 33 -6.601 -5.023 7.288 1.00 -0.09 C ATOM 441 CG ASN A 33 -7.817 -5.787 7.756 1.00 0.68 C ATOM 442 OD1 ASN A 33 -8.386 -6.703 6.949 1.00 -0.47 O flip ATOM 443 ND2 ASN A 33 -8.272 -5.546 8.862 1.00 -0.87 N flip ATOM 0 H ASN A 33 -8.020 -4.511 5.232 1.00 -0.46 H new ATOM 0 HA ASN A 33 -7.572 -3.162 7.686 1.00 0.04 H new ATOM 0 HB2 ASN A 33 -6.129 -5.545 6.456 1.00 -0.09 H new ATOM 0 HB3 ASN A 33 -5.864 -4.967 8.089 1.00 -0.09 H new ATOM 0 HD21 ASN A 33 -7.825 -4.848 9.456 1.00 -0.87 H new ATOM 0 HD22 ASN A 33 -9.100 -6.042 9.192 1.00 -0.87 H new ATOM 450 N LEU A 34 -5.003 -3.041 5.539 1.00 -0.46 N ATOM 451 CA LEU A 34 -3.803 -2.262 5.215 1.00 0.04 C ATOM 452 C LEU A 34 -3.966 -0.787 5.521 1.00 0.62 C ATOM 453 O LEU A 34 -3.151 -0.251 6.255 1.00 -0.50 O ATOM 454 CB LEU A 34 -3.406 -2.426 3.714 1.00 -0.06 C ATOM 455 CG LEU A 34 -2.755 -3.809 3.381 1.00 -0.01 C ATOM 456 CD1 LEU A 34 -2.842 -4.152 1.867 1.00 -0.11 C ATOM 457 CD2 LEU A 34 -1.262 -3.833 3.811 1.00 -0.11 C ATOM 0 H LEU A 34 -5.165 -3.832 4.915 1.00 -0.46 H new ATOM 0 HA LEU A 34 -3.011 -2.660 5.850 1.00 0.04 H new ATOM 0 HB2 LEU A 34 -4.295 -2.295 3.096 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 -2.710 -1.632 3.443 1.00 -0.06 H new ATOM 0 HG LEU A 34 -3.319 -4.556 3.939 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 -2.377 -5.121 1.686 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 -3.888 -4.189 1.562 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 -2.323 -3.387 1.290 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 -0.830 -4.804 3.570 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 -0.718 -3.052 3.280 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 -1.190 -3.660 4.885 1.00 -0.11 H new ATOM 469 N HIS A 35 -5.002 -0.102 4.984 1.00 -0.46 N ATOM 470 CA HIS A 35 -5.131 1.330 5.274 1.00 0.04 C ATOM 471 C HIS A 35 -5.452 1.549 6.743 1.00 0.62 C ATOM 472 O HIS A 35 -4.943 2.486 7.338 1.00 -0.50 O ATOM 473 CB HIS A 35 -6.191 2.045 4.381 1.00 -0.10 C ATOM 474 CG HIS A 35 -7.494 2.224 5.116 1.00 0.06 C ATOM 475 ND1 HIS A 35 -8.343 1.285 5.410 1.00 -0.06 N ATOM 476 CD2 HIS A 35 -7.994 3.360 5.610 1.00 -0.04 C ATOM 477 CE1 HIS A 35 -9.354 1.748 6.084 1.00 0.11 C ATOM 478 NE2 HIS A 35 -9.112 3.022 6.182 1.00 -0.06 N ATOM 0 H HIS A 35 -5.722 -0.498 4.380 1.00 -0.46 H new ATOM 0 HA HIS A 35 -4.166 1.779 5.038 1.00 0.04 H new ATOM 0 HB2 HIS A 35 -5.810 3.018 4.069 1.00 -0.10 H new ATOM 0 HB3 HIS A 35 -6.359 1.463 3.475 1.00 -0.10 H new ATOM 0 HD1 HIS A 35 -8.230 0.306 5.145 1.00 -0.06 H new ATOM 0 HD2 HIS A 35 -7.562 4.348 5.548 1.00 -0.04 H new ATOM 0 HE1 HIS A 35 -10.200 1.201 6.473 1.00 0.11 H new ATOM 487 N ASN A 36 -6.319 0.698 7.343 1.00 -0.46 N ATOM 488 CA ASN A 36 -6.750 0.912 8.725 1.00 0.04 C ATOM 489 C ASN A 36 -5.584 0.709 9.665 1.00 0.62 C ATOM 490 O ASN A 36 -5.389 1.520 10.556 1.00 -0.50 O ATOM 491 CB ASN A 36 -7.902 -0.060 9.103 1.00 -0.09 C ATOM 492 CG ASN A 36 -8.470 0.277 10.459 1.00 0.68 C ATOM 493 OD1 ASN A 36 -9.500 0.929 10.521 1.00 -0.47 O ATOM 494 ND2 ASN A 36 -7.829 -0.143 11.568 1.00 -0.87 N ATOM 0 H ASN A 36 -6.721 -0.124 6.893 1.00 -0.46 H new ATOM 0 HA ASN A 36 -7.116 1.935 8.814 1.00 0.04 H new ATOM 0 HB2 ASN A 36 -8.689 -0.006 8.351 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 -7.532 -1.085 9.104 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 -8.203 0.083 12.490 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 -6.970 -0.687 11.485 1.00 -0.87 H new ATOM 501 N GLN A 37 -4.784 -0.364 9.457 1.00 -0.46 N ATOM 502 CA GLN A 37 -3.592 -0.601 10.275 1.00 0.04 C ATOM 503 C GLN A 37 -2.392 0.203 9.808 1.00 0.62 C ATOM 504 O GLN A 37 -1.270 -0.211 10.056 1.00 -0.50 O ATOM 505 CB GLN A 37 -3.298 -2.128 10.398 1.00 -0.10 C ATOM 506 CG GLN A 37 -2.782 -2.794 9.089 1.00 -0.10 C ATOM 507 CD GLN A 37 -2.442 -4.255 9.257 1.00 0.68 C ATOM 508 OE1 GLN A 37 -2.671 -4.827 10.310 1.00 -0.47 O ATOM 509 NE2 GLN A 37 -1.892 -4.902 8.209 1.00 -0.87 N ATOM 0 H GLN A 37 -4.948 -1.066 8.736 1.00 -0.46 H new ATOM 0 HA GLN A 37 -3.803 -0.234 11.279 1.00 0.04 H new ATOM 0 HB2 GLN A 37 -2.558 -2.280 11.184 1.00 -0.10 H new ATOM 0 HB3 GLN A 37 -4.209 -2.636 10.714 1.00 -0.10 H new ATOM 0 HG2 GLN A 37 -3.541 -2.692 8.314 1.00 -0.10 H new ATOM 0 HG3 GLN A 37 -1.898 -2.260 8.742 1.00 -0.10 H new ATOM 0 HE21 GLN A 37 -1.710 -4.402 7.339 1.00 -0.87 H new ATOM 0 HE22 GLN A 37 -1.658 -5.892 8.286 1.00 -0.87 H new ATOM 518 N ALA A 38 -2.593 1.365 9.143 1.00 -0.46 N ATOM 519 CA ALA A 38 -1.483 2.232 8.762 1.00 0.04 C ATOM 520 C ALA A 38 -1.938 3.662 8.947 1.00 0.62 C ATOM 521 O ALA A 38 -1.895 4.431 7.999 1.00 -0.50 O ATOM 522 CB ALA A 38 -1.103 1.901 7.305 1.00 -0.10 C ATOM 0 H ALA A 38 -3.512 1.711 8.866 1.00 -0.46 H new ATOM 0 HA ALA A 38 -0.594 2.083 9.375 1.00 0.04 H new ATOM 0 HB1 ALA A 38 -0.274 2.535 6.992 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 -0.806 0.855 7.235 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 -1.961 2.079 6.656 1.00 -0.10 H new ATOM 528 N ARG A 39 -2.406 4.003 10.173 1.00 -0.46 N ATOM 529 CA ARG A 39 -2.970 5.329 10.436 1.00 0.04 C ATOM 530 C ARG A 39 -2.190 6.107 11.478 1.00 0.62 C ATOM 531 O ARG A 39 -1.844 7.245 11.203 1.00 -0.50 O ATOM 532 CB ARG A 39 -4.454 5.156 10.856 1.00 -0.08 C ATOM 533 CG ARG A 39 -5.196 6.504 11.093 1.00 -0.10 C ATOM 534 CD ARG A 39 -5.242 7.413 9.831 1.00 -0.23 C ATOM 535 NE ARG A 39 -6.214 8.497 10.021 1.00 -0.32 N ATOM 536 CZ ARG A 39 -7.517 8.366 9.877 1.00 0.76 C ATOM 537 NH1 ARG A 39 -8.099 7.233 9.565 1.00 -0.62 N ATOM 538 NH2 ARG A 39 -8.281 9.417 10.053 1.00 -0.62 N ATOM 0 H ARG A 39 -2.400 3.379 10.980 1.00 -0.46 H new ATOM 0 HA ARG A 39 -2.903 5.920 9.523 1.00 0.04 H new ATOM 0 HB2 ARG A 39 -4.978 4.593 10.084 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 -4.498 4.562 11.769 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 -6.215 6.297 11.420 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 -4.705 7.043 11.903 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 -4.254 7.831 9.639 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 -5.513 6.821 8.957 1.00 -0.23 H new ATOM 0 HE ARG A 39 -5.855 9.415 10.283 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 -7.537 6.394 9.421 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 -9.113 7.191 9.467 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 -7.864 10.315 10.297 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 -9.292 9.336 9.946 1.00 -0.62 H new ATOM 552 N SER A 40 -1.892 5.566 12.683 1.00 -0.46 N ATOM 553 CA SER A 40 -1.115 6.359 13.639 1.00 0.04 C ATOM 554 C SER A 40 0.269 6.616 13.082 1.00 0.62 C ATOM 555 O SER A 40 0.697 5.883 12.204 1.00 -0.50 O ATOM 556 CB SER A 40 -1.029 5.698 15.037 1.00 0.02 C ATOM 557 OG SER A 40 -2.368 5.462 15.504 1.00 -0.55 O ATOM 0 H SER A 40 -2.164 4.634 12.997 1.00 -0.46 H new ATOM 0 HA SER A 40 -1.636 7.306 13.779 1.00 0.04 H new ATOM 0 HB2 SER A 40 -0.475 4.761 14.981 1.00 0.02 H new ATOM 0 HB3 SER A 40 -0.492 6.345 15.731 1.00 0.02 H new ATOM 0 HG SER A 40 -2.337 5.042 16.389 1.00 -0.55 H new ATOM 563 N GLN A 41 0.993 7.656 13.556 1.00 -0.46 N ATOM 564 CA GLN A 41 2.282 7.972 12.938 1.00 0.04 C ATOM 565 C GLN A 41 3.192 6.762 12.908 1.00 0.62 C ATOM 566 O GLN A 41 3.783 6.499 11.873 1.00 -0.50 O ATOM 567 CB GLN A 41 2.992 9.199 13.581 1.00 -0.10 C ATOM 568 CG GLN A 41 3.524 8.959 15.020 1.00 -0.10 C ATOM 569 CD GLN A 41 4.124 10.205 15.627 1.00 0.68 C ATOM 570 OE1 GLN A 41 4.167 11.242 14.985 1.00 -0.47 O ATOM 571 NE2 GLN A 41 4.605 10.133 16.885 1.00 -0.87 N ATOM 0 H GLN A 41 0.716 8.261 14.329 1.00 -0.46 H new ATOM 0 HA GLN A 41 2.059 8.258 11.910 1.00 0.04 H new ATOM 0 HB2 GLN A 41 3.826 9.494 12.944 1.00 -0.10 H new ATOM 0 HB3 GLN A 41 2.294 10.036 13.601 1.00 -0.10 H new ATOM 0 HG2 GLN A 41 2.709 8.607 15.652 1.00 -0.10 H new ATOM 0 HG3 GLN A 41 4.276 8.170 15.000 1.00 -0.10 H new ATOM 0 HE21 GLN A 41 4.557 9.254 17.400 1.00 -0.87 H new ATOM 0 HE22 GLN A 41 5.017 10.958 17.321 1.00 -0.87 H new ATOM 580 N SER A 42 3.315 5.997 14.016 1.00 -0.46 N ATOM 581 CA SER A 42 4.215 4.841 14.008 1.00 0.04 C ATOM 582 C SER A 42 3.725 3.835 12.992 1.00 0.62 C ATOM 583 O SER A 42 4.511 3.345 12.195 1.00 -0.50 O ATOM 584 CB SER A 42 4.317 4.158 15.399 1.00 0.02 C ATOM 585 OG SER A 42 4.985 5.004 16.351 1.00 -0.55 O ATOM 0 H SER A 42 2.819 6.157 14.893 1.00 -0.46 H new ATOM 0 HA SER A 42 5.210 5.202 13.747 1.00 0.04 H new ATOM 0 HB2 SER A 42 3.318 3.917 15.762 1.00 0.02 H new ATOM 0 HB3 SER A 42 4.857 3.216 15.305 1.00 0.02 H new ATOM 0 HG SER A 42 5.033 4.548 17.217 1.00 -0.55 H new ATOM 591 N ASP A 43 2.411 3.527 12.999 1.00 -0.46 N ATOM 592 CA ASP A 43 1.876 2.588 12.016 1.00 0.04 C ATOM 593 C ASP A 43 2.296 3.031 10.627 1.00 0.62 C ATOM 594 O ASP A 43 2.762 2.227 9.833 1.00 -0.50 O ATOM 595 CB ASP A 43 0.321 2.530 12.061 1.00 -0.40 C ATOM 596 CG ASP A 43 -0.308 2.546 13.424 1.00 0.71 C ATOM 597 OD1 ASP A 43 0.427 2.381 14.433 1.00 -0.72 O ATOM 598 OD2 ASP A 43 -1.552 2.754 13.481 1.00 -0.72 O ATOM 0 H ASP A 43 1.728 3.905 13.655 1.00 -0.46 H new ATOM 0 HA ASP A 43 2.268 1.599 12.252 1.00 0.04 H new ATOM 0 HB2 ASP A 43 -0.069 3.376 11.495 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 -0.002 1.625 11.546 1.00 -0.40 H new ATOM 603 N ARG A 44 2.133 4.343 10.331 1.00 -0.46 N ATOM 604 CA ARG A 44 2.499 4.861 9.015 1.00 0.04 C ATOM 605 C ARG A 44 3.994 4.774 8.815 1.00 0.62 C ATOM 606 O ARG A 44 4.393 4.480 7.699 1.00 -0.50 O ATOM 607 CB ARG A 44 2.004 6.321 8.804 1.00 -0.08 C ATOM 608 CG ARG A 44 0.452 6.359 8.717 1.00 -0.10 C ATOM 609 CD ARG A 44 -0.136 7.797 8.712 1.00 -0.23 C ATOM 610 NE ARG A 44 0.082 8.516 7.454 1.00 -0.32 N ATOM 611 CZ ARG A 44 -0.444 9.693 7.190 1.00 0.76 C ATOM 612 NH1 ARG A 44 -1.157 10.367 8.060 1.00 -0.62 N ATOM 613 NH2 ARG A 44 -0.260 10.217 6.005 1.00 -0.62 N ATOM 0 H ARG A 44 1.759 5.038 10.977 1.00 -0.46 H new ATOM 0 HA ARG A 44 2.003 4.241 8.269 1.00 0.04 H new ATOM 0 HB2 ARG A 44 2.344 6.950 9.627 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 2.436 6.730 7.891 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 0.135 5.843 7.811 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 0.036 5.808 9.560 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 -1.207 7.743 8.909 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 0.310 8.366 9.528 1.00 -0.23 H new ATOM 0 HE ARG A 44 0.673 8.081 6.745 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 -1.325 9.982 8.989 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -1.544 11.276 7.807 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 0.284 9.714 5.304 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -0.660 11.128 5.783 1.00 -0.62 H new ATOM 627 N GLN A 45 4.846 5.008 9.840 1.00 -0.46 N ATOM 628 CA GLN A 45 6.283 4.824 9.637 1.00 0.04 C ATOM 629 C GLN A 45 6.528 3.414 9.142 1.00 0.62 C ATOM 630 O GLN A 45 7.110 3.243 8.081 1.00 -0.50 O ATOM 631 CB GLN A 45 7.162 5.017 10.911 1.00 -0.10 C ATOM 632 CG GLN A 45 7.224 6.470 11.450 1.00 -0.10 C ATOM 633 CD GLN A 45 7.850 7.401 10.444 1.00 0.68 C ATOM 634 OE1 GLN A 45 9.065 7.496 10.396 1.00 -0.47 O ATOM 635 NE2 GLN A 45 7.057 8.103 9.611 1.00 -0.87 N ATOM 0 H GLN A 45 4.570 5.311 10.774 1.00 -0.46 H new ATOM 0 HA GLN A 45 6.574 5.596 8.925 1.00 0.04 H new ATOM 0 HB2 GLN A 45 6.780 4.369 11.700 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 8.176 4.684 10.689 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 6.218 6.814 11.690 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 7.798 6.492 12.376 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 6.043 8.007 9.670 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 7.470 8.731 8.921 1.00 -0.87 H new ATOM 644 N SER A 46 6.108 2.377 9.899 1.00 -0.46 N ATOM 645 CA SER A 46 6.461 1.015 9.507 1.00 0.04 C ATOM 646 C SER A 46 5.823 0.676 8.180 1.00 0.62 C ATOM 647 O SER A 46 6.512 0.255 7.262 1.00 -0.50 O ATOM 648 CB SER A 46 6.060 -0.003 10.604 1.00 0.02 C ATOM 649 OG SER A 46 6.615 0.442 11.853 1.00 -0.55 O ATOM 0 H SER A 46 5.548 2.459 10.748 1.00 -0.46 H new ATOM 0 HA SER A 46 7.543 0.955 9.392 1.00 0.04 H new ATOM 0 HB2 SER A 46 4.975 -0.078 10.675 1.00 0.02 H new ATOM 0 HB3 SER A 46 6.432 -0.997 10.355 1.00 0.02 H new ATOM 0 HG SER A 46 6.371 -0.189 12.562 1.00 -0.55 H new ATOM 655 N ALA A 47 4.492 0.870 8.049 1.00 -0.46 N ATOM 656 CA ALA A 47 3.842 0.565 6.777 1.00 0.04 C ATOM 657 C ALA A 47 4.555 1.273 5.644 1.00 0.62 C ATOM 658 O ALA A 47 4.817 0.657 4.624 1.00 -0.50 O ATOM 659 CB ALA A 47 2.351 0.991 6.795 1.00 -0.10 C ATOM 0 H ALA A 47 3.876 1.222 8.782 1.00 -0.46 H new ATOM 0 HA ALA A 47 3.894 -0.513 6.625 1.00 0.04 H new ATOM 0 HB1 ALA A 47 1.893 0.752 5.835 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 1.830 0.457 7.589 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 2.281 2.064 6.973 1.00 -0.10 H new ATOM 665 N CYS A 48 4.892 2.573 5.805 1.00 -0.46 N ATOM 666 CA CYS A 48 5.576 3.292 4.731 1.00 0.04 C ATOM 667 C CYS A 48 6.937 2.710 4.424 1.00 0.62 C ATOM 668 O CYS A 48 7.262 2.594 3.252 1.00 -0.50 O ATOM 669 CB CYS A 48 5.715 4.805 5.031 1.00 -0.10 C ATOM 670 SG CYS A 48 4.027 5.486 4.936 1.00 0.82 S ATOM 0 H CYS A 48 4.705 3.122 6.644 1.00 -0.46 H new ATOM 0 HA CYS A 48 4.943 3.170 3.852 1.00 0.04 H new ATOM 0 HB2 CYS A 48 6.148 4.970 6.017 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 6.373 5.288 4.309 1.00 -0.10 H new ATOM 675 N ASN A 49 7.752 2.336 5.434 1.00 -0.46 N ATOM 676 CA ASN A 49 9.038 1.714 5.114 1.00 0.04 C ATOM 677 C ASN A 49 8.790 0.519 4.218 1.00 0.62 C ATOM 678 O ASN A 49 9.445 0.395 3.195 1.00 -0.50 O ATOM 679 CB ASN A 49 9.858 1.293 6.364 1.00 -0.09 C ATOM 680 CG ASN A 49 10.500 2.500 7.008 1.00 0.68 C ATOM 681 OD1 ASN A 49 11.602 2.853 6.621 1.00 -0.47 O ATOM 682 ND2 ASN A 49 9.858 3.173 7.982 1.00 -0.87 N ATOM 0 H ASN A 49 7.551 2.449 6.427 1.00 -0.46 H new ATOM 0 HA ASN A 49 9.644 2.463 4.605 1.00 0.04 H new ATOM 0 HB2 ASN A 49 9.207 0.794 7.082 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 10.626 0.575 6.077 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 10.293 3.992 8.408 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 8.937 2.864 8.294 1.00 -0.87 H new ATOM 689 N CYS A 50 7.829 -0.369 4.564 1.00 -0.46 N ATOM 690 CA CYS A 50 7.489 -1.448 3.632 1.00 0.04 C ATOM 691 C CYS A 50 7.030 -0.870 2.308 1.00 0.62 C ATOM 692 O CYS A 50 7.477 -1.357 1.282 1.00 -0.50 O ATOM 693 CB CYS A 50 6.407 -2.424 4.181 1.00 -0.10 C ATOM 694 SG CYS A 50 7.158 -3.904 4.937 1.00 0.82 S ATOM 0 H CYS A 50 7.303 -0.358 5.438 1.00 -0.46 H new ATOM 0 HA CYS A 50 8.400 -2.031 3.495 1.00 0.04 H new ATOM 0 HB2 CYS A 50 5.793 -1.909 4.920 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 5.744 -2.726 3.370 1.00 -0.10 H new ATOM 699 N LEU A 51 6.147 0.152 2.286 1.00 -0.46 N ATOM 700 CA LEU A 51 5.664 0.661 0.999 1.00 0.04 C ATOM 701 C LEU A 51 6.854 0.987 0.119 1.00 0.62 C ATOM 702 O LEU A 51 6.970 0.445 -0.970 1.00 -0.50 O ATOM 703 CB LEU A 51 4.674 1.861 1.112 1.00 -0.06 C ATOM 704 CG LEU A 51 3.586 1.904 -0.006 1.00 -0.01 C ATOM 705 CD1 LEU A 51 2.595 3.071 0.234 1.00 -0.11 C ATOM 706 CD2 LEU A 51 4.189 1.997 -1.429 1.00 -0.11 C ATOM 0 H LEU A 51 5.771 0.620 3.111 1.00 -0.46 H new ATOM 0 HA LEU A 51 5.069 -0.129 0.541 1.00 0.04 H new ATOM 0 HB2 LEU A 51 4.179 1.819 2.082 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 5.243 2.790 1.085 1.00 -0.06 H new ATOM 0 HG LEU A 51 3.048 0.958 0.052 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 1.846 3.081 -0.558 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 2.103 2.938 1.197 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 3.138 4.016 0.231 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 3.385 2.024 -2.164 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 4.787 2.905 -1.512 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 4.821 1.128 -1.614 1.00 -0.11 H new ATOM 718 N LYS A 52 7.777 1.858 0.580 1.00 -0.46 N ATOM 719 CA LYS A 52 8.933 2.180 -0.255 1.00 0.04 C ATOM 720 C LYS A 52 9.720 0.922 -0.562 1.00 0.62 C ATOM 721 O LYS A 52 10.006 0.657 -1.720 1.00 -0.50 O ATOM 722 CB LYS A 52 9.915 3.193 0.399 1.00 -0.10 C ATOM 723 CG LYS A 52 9.309 4.609 0.602 1.00 -0.16 C ATOM 724 CD LYS A 52 10.421 5.610 1.027 1.00 -0.18 C ATOM 725 CE LYS A 52 9.878 7.050 1.228 1.00 -0.04 C ATOM 726 NZ LYS A 52 10.990 7.989 1.512 1.00 -0.14 N ATOM 0 H LYS A 52 7.743 2.328 1.485 1.00 -0.46 H new ATOM 0 HA LYS A 52 8.522 2.636 -1.156 1.00 0.04 H new ATOM 0 HB2 LYS A 52 10.235 2.803 1.365 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 10.806 3.275 -0.223 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 8.838 4.947 -0.321 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 8.530 4.574 1.363 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 10.881 5.266 1.953 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 11.204 5.623 0.268 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 9.342 7.371 0.335 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 9.163 7.064 2.051 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 10.688 8.960 1.296 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 11.252 7.924 2.516 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 11.811 7.743 0.924 1.00 -0.14 H new ATOM 740 N GLY A 53 10.097 0.144 0.477 1.00 -0.46 N ATOM 741 CA GLY A 53 10.993 -0.989 0.258 1.00 0.04 C ATOM 742 C GLY A 53 10.456 -1.971 -0.755 1.00 0.62 C ATOM 743 O GLY A 53 11.170 -2.325 -1.679 1.00 -0.50 O ATOM 0 H GLY A 53 9.800 0.281 1.443 1.00 -0.46 H new ATOM 0 HA2 GLY A 53 11.962 -0.620 -0.078 1.00 0.04 H new ATOM 0 HA3 GLY A 53 11.159 -1.504 1.204 1.00 0.04 H new ATOM 747 N ILE A 54 9.199 -2.436 -0.588 1.00 -0.46 N ATOM 748 CA ILE A 54 8.665 -3.433 -1.515 1.00 0.04 C ATOM 749 C ILE A 54 8.377 -2.759 -2.838 1.00 0.62 C ATOM 750 O ILE A 54 8.777 -3.297 -3.858 1.00 -0.50 O ATOM 751 CB ILE A 54 7.404 -4.180 -0.976 1.00 -0.01 C ATOM 752 CG1 ILE A 54 7.755 -5.245 0.111 1.00 -0.05 C ATOM 753 CG2 ILE A 54 6.647 -4.898 -2.133 1.00 -0.09 C ATOM 754 CD1 ILE A 54 8.413 -4.669 1.391 1.00 -0.09 C ATOM 0 H ILE A 54 8.562 -2.145 0.154 1.00 -0.46 H new ATOM 0 HA ILE A 54 9.421 -4.208 -1.640 1.00 0.04 H new ATOM 0 HB ILE A 54 6.774 -3.414 -0.524 1.00 -0.01 H new ATOM 0 HG12 ILE A 54 6.843 -5.771 0.393 1.00 -0.05 H new ATOM 0 HG13 ILE A 54 8.427 -5.983 -0.326 1.00 -0.05 H new ATOM 0 HG21 ILE A 54 5.773 -5.411 -1.732 1.00 -0.09 H new ATOM 0 HG22 ILE A 54 6.329 -4.162 -2.872 1.00 -0.09 H new ATOM 0 HG23 ILE A 54 7.309 -5.624 -2.605 1.00 -0.09 H new ATOM 0 HD11 ILE A 54 8.622 -5.480 2.089 1.00 -0.09 H new ATOM 0 HD12 ILE A 54 9.345 -4.168 1.127 1.00 -0.09 H new ATOM 0 HD13 ILE A 54 7.736 -3.953 1.858 1.00 -0.09 H new ATOM 766 N ALA A 55 7.668 -1.607 -2.866 1.00 -0.46 N ATOM 767 CA ALA A 55 7.238 -1.055 -4.153 1.00 0.04 C ATOM 768 C ALA A 55 8.299 -0.230 -4.845 1.00 0.62 C ATOM 769 O ALA A 55 8.659 -0.560 -5.962 1.00 -0.50 O ATOM 770 CB ALA A 55 5.975 -0.178 -3.995 1.00 -0.10 C ATOM 0 H ALA A 55 7.395 -1.067 -2.045 1.00 -0.46 H new ATOM 0 HA ALA A 55 7.027 -1.927 -4.772 1.00 0.04 H new ATOM 0 HB1 ALA A 55 5.682 0.216 -4.968 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 5.163 -0.780 -3.588 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 6.189 0.649 -3.318 1.00 -0.10 H new ATOM 776 N ARG A 56 8.811 0.864 -4.238 1.00 -0.46 N ATOM 777 CA ARG A 56 9.806 1.671 -4.948 1.00 0.04 C ATOM 778 C ARG A 56 11.066 0.849 -5.112 1.00 0.62 C ATOM 779 O ARG A 56 11.682 0.923 -6.164 1.00 -0.50 O ATOM 780 CB ARG A 56 10.081 3.048 -4.277 1.00 -0.08 C ATOM 781 CG ARG A 56 8.838 3.979 -4.391 1.00 -0.10 C ATOM 782 CD ARG A 56 9.049 5.396 -3.784 1.00 -0.23 C ATOM 783 NE ARG A 56 9.946 6.256 -4.563 1.00 -0.32 N ATOM 784 CZ ARG A 56 10.181 7.519 -4.271 1.00 0.76 C ATOM 785 NH1 ARG A 56 9.640 8.123 -3.241 1.00 -0.62 N ATOM 786 NH2 ARG A 56 10.990 8.211 -5.034 1.00 -0.62 N ATOM 0 H ARG A 56 8.562 1.190 -3.304 1.00 -0.46 H new ATOM 0 HA ARG A 56 9.405 1.925 -5.929 1.00 0.04 H new ATOM 0 HB2 ARG A 56 10.336 2.901 -3.227 1.00 -0.08 H new ATOM 0 HB3 ARG A 56 10.941 3.523 -4.750 1.00 -0.08 H new ATOM 0 HG2 ARG A 56 8.570 4.082 -5.442 1.00 -0.10 H new ATOM 0 HG3 ARG A 56 7.994 3.503 -3.892 1.00 -0.10 H new ATOM 0 HD2 ARG A 56 8.081 5.888 -3.693 1.00 -0.23 H new ATOM 0 HD3 ARG A 56 9.449 5.291 -2.776 1.00 -0.23 H new ATOM 0 HE ARG A 56 10.414 5.854 -5.376 1.00 -0.32 H new ATOM 0 HH11 ARG A 56 9.007 7.613 -2.625 1.00 -0.62 H new ATOM 0 HH12 ARG A 56 9.852 9.103 -3.055 1.00 -0.62 H new ATOM 0 HH21 ARG A 56 11.429 7.771 -5.843 1.00 -0.62 H new ATOM 0 HH22 ARG A 56 11.181 9.190 -4.819 1.00 -0.62 H new ATOM 800 N GLY A 57 11.468 0.040 -4.106 1.00 -0.46 N ATOM 801 CA GLY A 57 12.625 -0.837 -4.294 1.00 0.04 C ATOM 802 C GLY A 57 12.259 -2.037 -5.142 1.00 0.62 C ATOM 803 O GLY A 57 12.190 -3.134 -4.610 1.00 -0.50 O ATOM 0 H GLY A 57 11.022 -0.018 -3.191 1.00 -0.46 H new ATOM 0 HA2 GLY A 57 13.433 -0.283 -4.770 1.00 0.04 H new ATOM 0 HA3 GLY A 57 12.995 -1.171 -3.325 1.00 0.04 H new ATOM 807 N ILE A 58 12.019 -1.861 -6.465 1.00 -0.46 N ATOM 808 CA ILE A 58 11.636 -2.995 -7.315 1.00 0.04 C ATOM 809 C ILE A 58 11.993 -2.707 -8.761 1.00 0.62 C ATOM 810 O ILE A 58 12.210 -1.548 -9.075 1.00 -0.50 O ATOM 811 CB ILE A 58 10.107 -3.251 -7.126 1.00 -0.01 C ATOM 812 CG1 ILE A 58 9.734 -4.764 -7.167 1.00 -0.05 C ATOM 813 CG2 ILE A 58 9.278 -2.418 -8.140 1.00 -0.09 C ATOM 814 CD1 ILE A 58 8.226 -5.047 -6.924 1.00 -0.09 C ATOM 0 H ILE A 58 12.084 -0.965 -6.949 1.00 -0.46 H new ATOM 0 HA ILE A 58 12.180 -3.895 -7.030 1.00 0.04 H new ATOM 0 HB ILE A 58 9.849 -2.913 -6.122 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 10.019 -5.172 -8.137 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 10.319 -5.293 -6.414 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 8.216 -2.613 -7.989 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 9.477 -1.357 -7.988 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 9.558 -2.698 -9.156 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 8.046 -6.121 -6.968 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 7.939 -4.671 -5.942 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 7.634 -4.548 -7.691 1.00 -0.09 H new ATOM 826 N HIS A 59 12.065 -3.711 -9.666 1.00 -0.46 N ATOM 827 CA HIS A 59 12.399 -3.410 -11.060 1.00 0.04 C ATOM 828 C HIS A 59 11.290 -2.631 -11.746 1.00 0.62 C ATOM 829 O HIS A 59 11.536 -1.498 -12.129 1.00 -0.50 O ATOM 830 CB HIS A 59 12.738 -4.697 -11.864 1.00 -0.10 C ATOM 831 CG HIS A 59 13.024 -4.432 -13.322 1.00 0.06 C ATOM 832 ND1 HIS A 59 13.459 -3.311 -13.907 1.00 -0.06 N flip ATOM 833 CD2 HIS A 59 12.880 -5.308 -14.274 1.00 -0.04 C flip ATOM 834 CE1 HIS A 59 13.540 -3.592 -15.175 1.00 0.11 C flip ATOM 835 NE2 HIS A 59 13.190 -4.817 -15.436 1.00 -0.06 N flip ATOM 0 H HIS A 59 11.902 -4.696 -9.459 1.00 -0.46 H new ATOM 0 HA HIS A 59 13.291 -2.783 -11.040 1.00 0.04 H new ATOM 0 HB2 HIS A 59 13.604 -5.181 -11.413 1.00 -0.10 H new ATOM 0 HB3 HIS A 59 11.905 -5.396 -11.785 1.00 -0.10 H new ATOM 0 HD2 HIS A 59 12.543 -6.322 -14.117 1.00 -0.04 H new ATOM 0 HE1 HIS A 59 13.862 -2.887 -15.927 1.00 0.11 H new ATOM 0 HE2 HIS A 59 13.165 -5.284 -16.343 1.00 -0.06 H new ATOM 844 N ASN A 60 10.079 -3.216 -11.923 1.00 -0.46 N ATOM 845 CA ASN A 60 9.008 -2.557 -12.679 1.00 0.04 C ATOM 846 C ASN A 60 7.688 -2.698 -11.947 1.00 0.62 C ATOM 847 O ASN A 60 7.518 -3.713 -11.290 1.00 -0.50 O ATOM 848 CB ASN A 60 8.852 -3.238 -14.066 1.00 -0.09 C ATOM 849 CG ASN A 60 10.045 -3.077 -14.975 1.00 0.68 C ATOM 850 OD1 ASN A 60 10.960 -2.331 -14.673 1.00 -0.47 O ATOM 851 ND2 ASN A 60 10.063 -3.772 -16.131 1.00 -0.87 N ATOM 0 H ASN A 60 9.830 -4.133 -11.553 1.00 -0.46 H new ATOM 0 HA ASN A 60 9.267 -1.504 -12.792 1.00 0.04 H new ATOM 0 HB2 ASN A 60 8.665 -4.301 -13.916 1.00 -0.09 H new ATOM 0 HB3 ASN A 60 7.973 -2.827 -14.563 1.00 -0.09 H new ATOM 0 HD21 ASN A 60 10.852 -3.678 -16.770 1.00 -0.87 H new ATOM 0 HD22 ASN A 60 9.287 -4.391 -16.366 1.00 -0.87 H new ATOM 858 N LEU A 61 6.757 -1.717 -12.045 1.00 -0.46 N ATOM 859 CA LEU A 61 5.516 -1.777 -11.262 1.00 0.04 C ATOM 860 C LEU A 61 4.508 -0.777 -11.801 1.00 0.62 C ATOM 861 O LEU A 61 4.894 0.363 -12.001 1.00 -0.50 O ATOM 862 CB LEU A 61 5.929 -1.489 -9.792 1.00 -0.06 C ATOM 863 CG LEU A 61 4.802 -1.516 -8.720 1.00 -0.01 C ATOM 864 CD1 LEU A 61 5.442 -1.630 -7.307 1.00 -0.11 C ATOM 865 CD2 LEU A 61 3.866 -0.278 -8.802 1.00 -0.11 C ATOM 0 H LEU A 61 6.845 -0.897 -12.645 1.00 -0.46 H new ATOM 0 HA LEU A 61 5.025 -2.748 -11.326 1.00 0.04 H new ATOM 0 HB2 LEU A 61 6.686 -2.218 -9.505 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 6.403 -0.508 -9.760 1.00 -0.06 H new ATOM 0 HG LEU A 61 4.175 -2.386 -8.916 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 4.656 -1.649 -6.552 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 6.027 -2.548 -7.245 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 6.092 -0.773 -7.132 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 3.099 -0.350 -8.031 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 4.449 0.630 -8.650 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 3.392 -0.244 -9.783 1.00 -0.11 H new ATOM 877 N ASN A 62 3.231 -1.157 -12.054 1.00 -0.46 N ATOM 878 CA ASN A 62 2.267 -0.213 -12.629 1.00 0.04 C ATOM 879 C ASN A 62 1.711 0.685 -11.541 1.00 0.62 C ATOM 880 O ASN A 62 0.602 0.465 -11.077 1.00 -0.50 O ATOM 881 CB ASN A 62 1.163 -1.005 -13.383 1.00 -0.09 C ATOM 882 CG ASN A 62 0.184 -0.109 -14.103 1.00 0.68 C ATOM 883 OD1 ASN A 62 0.094 1.069 -13.798 1.00 -0.47 O ATOM 884 ND2 ASN A 62 -0.587 -0.646 -15.070 1.00 -0.87 N ATOM 0 H ASN A 62 2.860 -2.089 -11.871 1.00 -0.46 H new ATOM 0 HA ASN A 62 2.755 0.439 -13.354 1.00 0.04 H new ATOM 0 HB2 ASN A 62 1.632 -1.675 -14.103 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 0.621 -1.629 -12.672 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -1.264 -0.065 -15.564 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -0.493 -1.634 -15.307 1.00 -0.87 H new ATOM 891 N GLU A 63 2.483 1.708 -11.110 1.00 -0.46 N ATOM 892 CA GLU A 63 2.025 2.560 -10.014 1.00 0.04 C ATOM 893 C GLU A 63 0.635 3.111 -10.220 1.00 0.62 C ATOM 894 O GLU A 63 -0.094 3.200 -9.245 1.00 -0.50 O ATOM 895 CB GLU A 63 2.969 3.752 -9.699 1.00 -0.18 C ATOM 896 CG GLU A 63 2.962 4.898 -10.746 1.00 -0.40 C ATOM 897 CD GLU A 63 3.392 4.456 -12.118 1.00 0.71 C ATOM 898 OE1 GLU A 63 2.563 3.815 -12.817 1.00 -0.72 O ATOM 899 OE2 GLU A 63 4.555 4.752 -12.504 1.00 -0.72 O ATOM 0 H GLU A 63 3.395 1.951 -11.496 1.00 -0.46 H new ATOM 0 HA GLU A 63 2.025 1.877 -9.165 1.00 0.04 H new ATOM 0 HB2 GLU A 63 2.693 4.166 -8.729 1.00 -0.18 H new ATOM 0 HB3 GLU A 63 3.987 3.373 -9.606 1.00 -0.18 H new ATOM 0 HG2 GLU A 63 1.958 5.319 -10.806 1.00 -0.40 H new ATOM 0 HG3 GLU A 63 3.623 5.695 -10.406 1.00 -0.40 H new ATOM 906 N ASP A 64 0.222 3.511 -11.441 1.00 -0.46 N ATOM 907 CA ASP A 64 -1.114 4.085 -11.569 1.00 0.04 C ATOM 908 C ASP A 64 -2.154 3.023 -11.287 1.00 0.62 C ATOM 909 O ASP A 64 -3.124 3.297 -10.598 1.00 -0.50 O ATOM 910 CB ASP A 64 -1.340 4.772 -12.938 1.00 -0.40 C ATOM 911 CG ASP A 64 -2.606 5.588 -12.879 1.00 0.71 C ATOM 912 OD1 ASP A 64 -2.636 6.566 -12.078 1.00 -0.72 O ATOM 913 OD2 ASP A 64 -3.571 5.259 -13.617 1.00 -0.72 O ATOM 0 H ASP A 64 0.766 3.449 -12.302 1.00 -0.46 H new ATOM 0 HA ASP A 64 -1.214 4.877 -10.827 1.00 0.04 H new ATOM 0 HB2 ASP A 64 -0.492 5.412 -13.182 1.00 -0.40 H new ATOM 0 HB3 ASP A 64 -1.412 4.023 -13.727 1.00 -0.40 H new ATOM 918 N ASN A 65 -1.963 1.779 -11.779 1.00 -0.46 N ATOM 919 CA ASN A 65 -2.889 0.714 -11.395 1.00 0.04 C ATOM 920 C ASN A 65 -2.845 0.604 -9.884 1.00 0.62 C ATOM 921 O ASN A 65 -3.886 0.589 -9.249 1.00 -0.50 O ATOM 922 CB ASN A 65 -2.529 -0.638 -12.068 1.00 -0.09 C ATOM 923 CG ASN A 65 -3.638 -1.661 -12.028 1.00 0.68 C ATOM 924 OD1 ASN A 65 -4.784 -1.301 -12.246 1.00 -0.47 O ATOM 925 ND2 ASN A 65 -3.349 -2.955 -11.782 1.00 -0.87 N ATOM 0 H ASN A 65 -1.212 1.504 -12.412 1.00 -0.46 H new ATOM 0 HA ASN A 65 -3.896 0.956 -11.734 1.00 0.04 H new ATOM 0 HB2 ASN A 65 -2.257 -0.453 -13.107 1.00 -0.09 H new ATOM 0 HB3 ASN A 65 -1.649 -1.053 -11.577 1.00 -0.09 H new ATOM 0 HD21 ASN A 65 -4.094 -3.652 -11.776 1.00 -0.87 H new ATOM 0 HD22 ASN A 65 -2.385 -3.237 -11.602 1.00 -0.87 H new ATOM 932 N ALA A 66 -1.644 0.564 -9.265 1.00 -0.46 N ATOM 933 CA ALA A 66 -1.593 0.529 -7.802 1.00 0.04 C ATOM 934 C ALA A 66 -2.400 1.664 -7.208 1.00 0.62 C ATOM 935 O ALA A 66 -3.127 1.444 -6.253 1.00 -0.50 O ATOM 936 CB ALA A 66 -0.146 0.628 -7.256 1.00 -0.10 C ATOM 0 H ALA A 66 -0.740 0.556 -9.737 1.00 -0.46 H new ATOM 0 HA ALA A 66 -2.013 -0.433 -7.510 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -0.165 0.597 -6.167 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 0.443 -0.209 -7.632 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 0.304 1.565 -7.585 1.00 -0.10 H new ATOM 942 N ARG A 67 -2.286 2.887 -7.772 1.00 -0.46 N ATOM 943 CA ARG A 67 -3.052 4.028 -7.269 1.00 0.04 C ATOM 944 C ARG A 67 -4.537 3.787 -7.437 1.00 0.62 C ATOM 945 O ARG A 67 -5.299 4.223 -6.590 1.00 -0.50 O ATOM 946 CB ARG A 67 -2.630 5.330 -8.009 1.00 -0.08 C ATOM 947 CG ARG A 67 -3.213 6.610 -7.355 1.00 -0.10 C ATOM 948 CD ARG A 67 -2.765 7.886 -8.122 1.00 -0.23 C ATOM 949 NE ARG A 67 -1.297 7.974 -8.105 1.00 -0.32 N ATOM 950 CZ ARG A 67 -0.485 7.752 -9.122 1.00 0.76 C ATOM 951 NH1 ARG A 67 -0.860 7.405 -10.329 1.00 -0.62 N ATOM 952 NH2 ARG A 67 0.805 7.884 -8.915 1.00 -0.62 N ATOM 0 H ARG A 67 -1.678 3.099 -8.563 1.00 -0.46 H new ATOM 0 HA ARG A 67 -2.839 4.145 -6.206 1.00 0.04 H new ATOM 0 HB2 ARG A 67 -1.542 5.398 -8.023 1.00 -0.08 H new ATOM 0 HB3 ARG A 67 -2.959 5.276 -9.047 1.00 -0.08 H new ATOM 0 HG2 ARG A 67 -4.301 6.553 -7.344 1.00 -0.10 H new ATOM 0 HG3 ARG A 67 -2.886 6.673 -6.317 1.00 -0.10 H new ATOM 0 HD2 ARG A 67 -3.127 7.852 -9.150 1.00 -0.23 H new ATOM 0 HD3 ARG A 67 -3.199 8.773 -7.660 1.00 -0.23 H new ATOM 0 HE ARG A 67 -0.863 8.232 -7.219 1.00 -0.32 H new ATOM 0 HH11 ARG A 67 -1.851 7.286 -10.541 1.00 -0.62 H new ATOM 0 HH12 ARG A 67 -0.161 7.254 -11.056 1.00 -0.62 H new ATOM 0 HH21 ARG A 67 1.149 8.150 -7.992 1.00 -0.62 H new ATOM 0 HH22 ARG A 67 1.463 7.721 -9.677 1.00 -0.62 H new ATOM 966 N SER A 68 -4.985 3.097 -8.511 1.00 -0.46 N ATOM 967 CA SER A 68 -6.409 2.773 -8.638 1.00 0.04 C ATOM 968 C SER A 68 -6.898 1.834 -7.552 1.00 0.62 C ATOM 969 O SER A 68 -8.079 1.873 -7.249 1.00 -0.50 O ATOM 970 CB SER A 68 -6.729 2.118 -10.009 1.00 0.02 C ATOM 971 OG SER A 68 -8.108 1.717 -10.094 1.00 -0.55 O ATOM 0 H SER A 68 -4.396 2.766 -9.275 1.00 -0.46 H new ATOM 0 HA SER A 68 -6.925 3.728 -8.544 1.00 0.04 H new ATOM 0 HB2 SER A 68 -6.504 2.821 -10.811 1.00 0.02 H new ATOM 0 HB3 SER A 68 -6.087 1.250 -10.157 1.00 0.02 H new ATOM 0 HG SER A 68 -8.277 1.310 -10.969 1.00 -0.55 H new ATOM 977 N ILE A 69 -6.044 0.976 -6.947 1.00 -0.46 N ATOM 978 CA ILE A 69 -6.542 0.023 -5.946 1.00 0.04 C ATOM 979 C ILE A 69 -7.418 0.690 -4.894 1.00 0.62 C ATOM 980 O ILE A 69 -8.555 0.262 -4.767 1.00 -0.50 O ATOM 981 CB ILE A 69 -5.434 -0.862 -5.294 1.00 -0.01 C ATOM 982 CG1 ILE A 69 -4.816 -1.851 -6.327 1.00 -0.05 C ATOM 983 CG2 ILE A 69 -5.996 -1.623 -4.060 1.00 -0.09 C ATOM 984 CD1 ILE A 69 -3.495 -2.496 -5.832 1.00 -0.09 C ATOM 0 H ILE A 69 -5.042 0.928 -7.130 1.00 -0.46 H new ATOM 0 HA ILE A 69 -7.170 -0.665 -6.512 1.00 0.04 H new ATOM 0 HB ILE A 69 -4.635 -0.203 -4.954 1.00 -0.01 H new ATOM 0 HG12 ILE A 69 -5.538 -2.637 -6.546 1.00 -0.05 H new ATOM 0 HG13 ILE A 69 -4.628 -1.322 -7.261 1.00 -0.05 H new ATOM 0 HG21 ILE A 69 -5.208 -2.234 -3.620 1.00 -0.09 H new ATOM 0 HG22 ILE A 69 -6.354 -0.905 -3.322 1.00 -0.09 H new ATOM 0 HG23 ILE A 69 -6.821 -2.264 -4.372 1.00 -0.09 H new ATOM 0 HD11 ILE A 69 -3.113 -3.175 -6.595 1.00 -0.09 H new ATOM 0 HD12 ILE A 69 -2.759 -1.716 -5.639 1.00 -0.09 H new ATOM 0 HD13 ILE A 69 -3.683 -3.052 -4.913 1.00 -0.09 H new ATOM 996 N PRO A 70 -6.991 1.700 -4.092 1.00 -0.23 N ATOM 997 CA PRO A 70 -7.902 2.271 -3.113 1.00 0.04 C ATOM 998 C PRO A 70 -9.263 2.651 -3.683 1.00 0.53 C ATOM 999 O PRO A 70 -10.226 2.072 -3.201 1.00 -0.50 O ATOM 1000 CB PRO A 70 -7.022 3.383 -2.475 1.00 -0.12 C ATOM 1001 CG PRO A 70 -5.748 3.519 -3.349 1.00 -0.12 C ATOM 1002 CD PRO A 70 -5.610 2.150 -4.048 1.00 -0.01 C ATOM 0 HA PRO A 70 -8.262 1.584 -2.347 1.00 0.04 H new ATOM 0 HB2 PRO A 70 -7.564 4.328 -2.436 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 -6.759 3.124 -1.449 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -5.849 4.326 -4.074 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -4.872 3.744 -2.741 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -5.177 2.241 -5.044 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -4.974 1.466 -3.486 1.00 -0.01 H new ATOM 1010 N PRO A 71 -9.464 3.549 -4.685 1.00 -0.23 N ATOM 1011 CA PRO A 71 -10.804 3.769 -5.222 1.00 0.04 C ATOM 1012 C PRO A 71 -11.160 2.670 -6.204 1.00 0.53 C ATOM 1013 O PRO A 71 -11.322 2.934 -7.385 1.00 -0.50 O ATOM 1014 CB PRO A 71 -10.571 5.139 -5.909 1.00 -0.12 C ATOM 1015 CG PRO A 71 -9.130 5.006 -6.451 1.00 -0.12 C ATOM 1016 CD PRO A 71 -8.389 4.328 -5.275 1.00 -0.01 C ATOM 0 HA PRO A 71 -11.627 3.761 -4.508 1.00 0.04 H new ATOM 0 HB2 PRO A 71 -11.290 5.318 -6.709 1.00 -0.12 H new ATOM 0 HB3 PRO A 71 -10.664 5.966 -5.205 1.00 -0.12 H new ATOM 0 HG2 PRO A 71 -9.092 4.401 -7.357 1.00 -0.12 H new ATOM 0 HG3 PRO A 71 -8.698 5.976 -6.697 1.00 -0.12 H new ATOM 0 HD2 PRO A 71 -7.563 3.702 -5.613 1.00 -0.01 H new ATOM 0 HD3 PRO A 71 -7.973 5.054 -4.576 1.00 -0.01 H new ATOM 1024 N LYS A 72 -11.300 1.413 -5.726 1.00 -0.46 N ATOM 1025 CA LYS A 72 -11.656 0.307 -6.623 1.00 0.04 C ATOM 1026 C LYS A 72 -12.168 -0.883 -5.840 1.00 0.62 C ATOM 1027 O LYS A 72 -13.228 -1.376 -6.198 1.00 -0.50 O ATOM 1028 CB LYS A 72 -10.463 -0.105 -7.534 1.00 -0.10 C ATOM 1029 CG LYS A 72 -10.666 -1.373 -8.423 1.00 -0.16 C ATOM 1030 CD LYS A 72 -11.251 -1.105 -9.842 1.00 -0.18 C ATOM 1031 CE LYS A 72 -12.684 -0.505 -9.897 1.00 -0.04 C ATOM 1032 NZ LYS A 72 -13.696 -1.328 -9.189 1.00 -0.14 N ATOM 0 H LYS A 72 -11.174 1.150 -4.749 1.00 -0.46 H new ATOM 0 HA LYS A 72 -12.457 0.662 -7.272 1.00 0.04 H new ATOM 0 HB2 LYS A 72 -10.228 0.735 -8.188 1.00 -0.10 H new ATOM 0 HB3 LYS A 72 -9.592 -0.269 -6.900 1.00 -0.10 H new ATOM 0 HG2 LYS A 72 -9.706 -1.877 -8.533 1.00 -0.16 H new ATOM 0 HG3 LYS A 72 -11.329 -2.062 -7.899 1.00 -0.16 H new ATOM 0 HD2 LYS A 72 -10.577 -0.428 -10.367 1.00 -0.18 H new ATOM 0 HD3 LYS A 72 -11.253 -2.045 -10.394 1.00 -0.18 H new ATOM 0 HE2 LYS A 72 -12.669 0.494 -9.460 1.00 -0.04 H new ATOM 0 HE3 LYS A 72 -12.983 -0.392 -10.939 1.00 -0.04 H new ATOM 0 HZ1 LYS A 72 -14.644 -0.938 -9.363 1.00 -0.14 H new ATOM 0 HZ2 LYS A 72 -13.655 -2.306 -9.539 1.00 -0.14 H new ATOM 0 HZ3 LYS A 72 -13.499 -1.317 -8.168 1.00 -0.14 H new ATOM 1046 N CYS A 73 -11.454 -1.366 -4.793 1.00 -0.46 N ATOM 1047 CA CYS A 73 -11.988 -2.453 -3.970 1.00 0.04 C ATOM 1048 C CYS A 73 -11.849 -2.155 -2.492 1.00 0.62 C ATOM 1049 O CYS A 73 -11.528 -3.072 -1.751 1.00 -0.50 O ATOM 1050 CB CYS A 73 -11.293 -3.779 -4.380 1.00 -0.10 C ATOM 1051 SG CYS A 73 -12.279 -5.228 -3.859 1.00 0.82 S ATOM 0 H CYS A 73 -10.534 -1.025 -4.513 1.00 -0.46 H new ATOM 0 HA CYS A 73 -13.059 -2.554 -4.148 1.00 0.04 H new ATOM 0 HB2 CYS A 73 -11.153 -3.800 -5.461 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 -10.302 -3.828 -3.929 1.00 -0.10 H new ATOM 1056 N GLY A 74 -12.102 -0.900 -2.044 1.00 -0.46 N ATOM 1057 CA GLY A 74 -12.105 -0.635 -0.605 1.00 0.04 C ATOM 1058 C GLY A 74 -12.111 0.828 -0.204 1.00 0.62 C ATOM 1059 O GLY A 74 -13.183 1.407 -0.123 1.00 -0.50 O ATOM 0 H GLY A 74 -12.298 -0.094 -2.638 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 -12.980 -1.116 -0.168 1.00 0.04 H new ATOM 0 HA3 GLY A 74 -11.228 -1.109 -0.165 1.00 0.04 H new ATOM 1063 N VAL A 75 -10.934 1.434 0.083 1.00 -0.46 N ATOM 1064 CA VAL A 75 -10.882 2.682 0.853 1.00 0.04 C ATOM 1065 C VAL A 75 -9.545 3.374 0.651 1.00 0.62 C ATOM 1066 O VAL A 75 -8.658 2.742 0.101 1.00 -0.50 O ATOM 1067 CB VAL A 75 -11.081 2.369 2.370 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 -12.566 2.109 2.752 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 -10.224 1.147 2.796 1.00 -0.09 C ATOM 0 H VAL A 75 -10.023 1.078 -0.207 1.00 -0.46 H new ATOM 0 HA VAL A 75 -11.677 3.342 0.505 1.00 0.04 H new ATOM 0 HB VAL A 75 -10.755 3.262 2.904 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 -12.636 1.898 3.819 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 -13.162 2.991 2.517 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 -12.943 1.256 2.188 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 -10.378 0.947 3.856 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 -10.521 0.274 2.215 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 -9.170 1.361 2.616 1.00 -0.09 H new ATOM 1079 N ASN A 76 -9.383 4.655 1.071 1.00 -0.46 N ATOM 1080 CA ASN A 76 -8.169 5.417 0.742 1.00 0.04 C ATOM 1081 C ASN A 76 -7.082 5.364 1.802 1.00 0.62 C ATOM 1082 O ASN A 76 -7.352 4.964 2.923 1.00 -0.50 O ATOM 1083 CB ASN A 76 -8.578 6.887 0.431 1.00 -0.09 C ATOM 1084 CG ASN A 76 -7.533 7.714 -0.281 1.00 0.68 C ATOM 1085 OD1 ASN A 76 -6.518 7.181 -0.699 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 -7.755 9.033 -0.449 1.00 -0.87 N ATOM 0 H ASN A 76 -10.068 5.167 1.627 1.00 -0.46 H new ATOM 0 HA ASN A 76 -7.718 4.944 -0.131 1.00 0.04 H new ATOM 0 HB2 ASN A 76 -9.483 6.874 -0.177 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 -8.832 7.382 1.369 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 -7.067 9.608 -0.935 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 -8.611 9.456 -0.091 1.00 -0.87 H new ATOM 1093 N LEU A 77 -5.844 5.784 1.444 1.00 -0.46 N ATOM 1094 CA LEU A 77 -4.744 5.901 2.407 1.00 0.04 C ATOM 1095 C LEU A 77 -4.861 7.267 3.052 1.00 0.62 C ATOM 1096 O LEU A 77 -5.479 8.113 2.423 1.00 -0.50 O ATOM 1097 CB LEU A 77 -3.359 5.882 1.684 1.00 -0.06 C ATOM 1098 CG LEU A 77 -2.932 4.503 1.103 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 -3.933 3.981 0.041 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 -1.522 4.620 0.452 1.00 -0.11 C ATOM 0 H LEU A 77 -5.591 6.046 0.491 1.00 -0.46 H new ATOM 0 HA LEU A 77 -4.804 5.075 3.115 1.00 0.04 H new ATOM 0 HB2 LEU A 77 -3.381 6.609 0.872 1.00 -0.06 H new ATOM 0 HB3 LEU A 77 -2.596 6.214 2.388 1.00 -0.06 H new ATOM 0 HG LEU A 77 -2.915 3.794 1.931 1.00 -0.01 H new ATOM 0 HD11 LEU A 77 -3.593 3.016 -0.336 1.00 -0.11 H new ATOM 0 HD12 LEU A 77 -4.918 3.867 0.494 1.00 -0.11 H new ATOM 0 HD13 LEU A 77 -3.993 4.692 -0.783 1.00 -0.11 H new ATOM 0 HD21 LEU A 77 -1.227 3.652 0.047 1.00 -0.11 H new ATOM 0 HD22 LEU A 77 -1.552 5.356 -0.351 1.00 -0.11 H new ATOM 0 HD23 LEU A 77 -0.799 4.934 1.205 1.00 -0.11 H new ATOM 1112 N PRO A 78 -4.289 7.594 4.240 1.00 -0.23 N ATOM 1113 CA PRO A 78 -4.317 8.985 4.699 1.00 0.04 C ATOM 1114 C PRO A 78 -3.310 9.860 3.963 1.00 0.53 C ATOM 1115 O PRO A 78 -2.518 10.512 4.624 1.00 -0.50 O ATOM 1116 CB PRO A 78 -3.996 8.741 6.200 1.00 -0.12 C ATOM 1117 CG PRO A 78 -3.056 7.514 6.183 1.00 -0.12 C ATOM 1118 CD PRO A 78 -3.690 6.594 5.117 1.00 -0.01 C ATOM 0 HA PRO A 78 -5.239 9.539 4.523 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -3.514 9.608 6.652 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 -4.901 8.544 6.775 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 -2.036 7.793 5.918 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 -3.011 7.028 7.158 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 -2.950 5.980 4.604 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 -4.430 5.915 5.540 1.00 -0.01 H new ATOM 1126 N TYR A 79 -3.345 9.872 2.603 1.00 -0.46 N ATOM 1127 CA TYR A 79 -2.436 10.637 1.725 1.00 0.04 C ATOM 1128 C TYR A 79 -2.542 10.021 0.334 1.00 0.62 C ATOM 1129 O TYR A 79 -3.303 9.074 0.221 1.00 -0.50 O ATOM 1130 CB TYR A 79 -0.936 10.735 2.129 1.00 -0.10 C ATOM 1131 CG TYR A 79 -0.192 9.401 1.977 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 -0.439 8.364 2.881 1.00 0.00 C ATOM 1133 CD2 TYR A 79 0.748 9.196 0.960 1.00 0.00 C ATOM 1134 CE1 TYR A 79 0.379 7.235 2.900 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 1.559 8.058 0.972 1.00 -0.26 C ATOM 1136 CZ TYR A 79 1.445 7.124 2.004 1.00 0.46 C ATOM 1137 OH TYR A 79 2.391 6.104 2.148 1.00 -0.53 O ATOM 0 H TYR A 79 -4.031 9.330 2.077 1.00 -0.46 H new ATOM 0 HA TYR A 79 -2.772 11.672 1.795 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -0.447 11.491 1.514 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -0.864 11.070 3.164 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -1.268 8.438 3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.847 9.919 0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.188 6.444 3.610 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 2.277 7.900 0.180 1.00 -0.26 H new ATOM 0 HH TYR A 79 2.847 6.200 3.010 1.00 -0.53 H new ATOM 1147 N THR A 80 -1.848 10.478 -0.737 1.00 -0.46 N ATOM 1148 CA THR A 80 -1.994 9.808 -2.035 1.00 0.04 C ATOM 1149 C THR A 80 -1.332 8.444 -1.997 1.00 0.62 C ATOM 1150 O THR A 80 -1.996 7.498 -1.606 1.00 -0.50 O ATOM 1151 CB THR A 80 -1.466 10.671 -3.214 1.00 0.17 C ATOM 1152 OG1 THR A 80 -0.089 10.980 -2.935 1.00 -0.55 O ATOM 1153 CG2 THR A 80 -2.290 11.977 -3.382 1.00 -0.19 C ATOM 0 H THR A 80 -1.210 11.274 -0.725 1.00 -0.46 H new ATOM 0 HA THR A 80 -3.060 9.671 -2.218 1.00 0.04 H new ATOM 0 HB THR A 80 -1.562 10.118 -4.148 1.00 0.17 H new ATOM 0 HG1 THR A 80 0.278 11.524 -3.663 1.00 -0.55 H new ATOM 0 HG21 THR A 80 -1.891 12.554 -4.216 1.00 -0.19 H new ATOM 0 HG22 THR A 80 -3.332 11.727 -3.580 1.00 -0.19 H new ATOM 0 HG23 THR A 80 -2.226 12.568 -2.468 1.00 -0.19 H new ATOM 1161 N ILE A 81 -0.042 8.293 -2.387 1.00 -0.46 N ATOM 1162 CA ILE A 81 0.608 6.976 -2.349 1.00 0.04 C ATOM 1163 C ILE A 81 2.102 7.140 -2.560 1.00 0.62 C ATOM 1164 O ILE A 81 2.476 7.993 -3.348 1.00 -0.50 O ATOM 1165 CB ILE A 81 0.016 5.975 -3.393 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 0.562 4.537 -3.141 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 0.288 6.468 -4.841 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 0.039 3.458 -4.126 1.00 -0.09 C ATOM 0 H ILE A 81 0.550 9.052 -2.723 1.00 -0.46 H new ATOM 0 HA ILE A 81 0.415 6.546 -1.366 1.00 0.04 H new ATOM 0 HB ILE A 81 -1.066 5.933 -3.271 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 1.650 4.562 -3.197 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 0.302 4.238 -2.126 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -0.132 5.757 -5.552 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -0.176 7.444 -4.986 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 1.363 6.550 -5.002 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 0.474 2.491 -3.871 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 -1.047 3.397 -4.056 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 0.322 3.726 -5.144 1.00 -0.09 H new ATOM 1180 N SER A 82 2.981 6.366 -1.881 1.00 -0.46 N ATOM 1181 CA SER A 82 4.424 6.592 -2.003 1.00 0.04 C ATOM 1182 C SER A 82 5.046 5.834 -3.159 1.00 0.62 C ATOM 1183 O SER A 82 5.903 5.003 -2.904 1.00 -0.50 O ATOM 1184 CB SER A 82 5.124 6.229 -0.663 1.00 0.02 C ATOM 1185 OG SER A 82 6.501 6.637 -0.646 1.00 -0.55 O ATOM 0 H SER A 82 2.717 5.601 -1.260 1.00 -0.46 H new ATOM 0 HA SER A 82 4.572 7.650 -2.220 1.00 0.04 H new ATOM 0 HB2 SER A 82 4.595 6.705 0.163 1.00 0.02 H new ATOM 0 HB3 SER A 82 5.063 5.153 -0.502 1.00 0.02 H new ATOM 0 HG SER A 82 6.995 6.151 -1.340 1.00 -0.55 H new ATOM 1191 N LEU A 83 4.653 6.119 -4.424 1.00 -0.46 N ATOM 1192 CA LEU A 83 5.342 5.550 -5.594 1.00 0.04 C ATOM 1193 C LEU A 83 6.031 6.682 -6.334 1.00 0.62 C ATOM 1194 O LEU A 83 7.247 6.781 -6.278 1.00 -0.50 O ATOM 1195 CB LEU A 83 4.381 4.771 -6.540 1.00 -0.06 C ATOM 1196 CG LEU A 83 4.359 3.221 -6.356 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 5.674 2.546 -6.840 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 4.016 2.808 -4.902 1.00 -0.11 C ATOM 0 H LEU A 83 3.871 6.733 -4.653 1.00 -0.46 H new ATOM 0 HA LEU A 83 6.072 4.819 -5.247 1.00 0.04 H new ATOM 0 HB2 LEU A 83 3.370 5.150 -6.393 1.00 -0.06 H new ATOM 0 HB3 LEU A 83 4.658 4.992 -7.571 1.00 -0.06 H new ATOM 0 HG LEU A 83 3.557 2.853 -6.996 1.00 -0.01 H new ATOM 0 HD11 LEU A 83 5.607 1.469 -6.690 1.00 -0.11 H new ATOM 0 HD12 LEU A 83 5.822 2.756 -7.899 1.00 -0.11 H new ATOM 0 HD13 LEU A 83 6.516 2.940 -6.271 1.00 -0.11 H new ATOM 0 HD21 LEU A 83 4.013 1.721 -4.824 1.00 -0.11 H new ATOM 0 HD22 LEU A 83 4.762 3.219 -4.222 1.00 -0.11 H new ATOM 0 HD23 LEU A 83 3.032 3.194 -4.637 1.00 -0.11 H new ATOM 1210 N ASN A 84 5.272 7.572 -7.019 1.00 -0.46 N ATOM 1211 CA ASN A 84 5.900 8.733 -7.656 1.00 0.04 C ATOM 1212 C ASN A 84 6.351 9.769 -6.644 1.00 0.62 C ATOM 1213 O ASN A 84 6.958 10.745 -7.055 1.00 -0.50 O ATOM 1214 CB ASN A 84 4.921 9.422 -8.647 1.00 -0.09 C ATOM 1215 CG ASN A 84 4.451 8.476 -9.723 1.00 0.68 C ATOM 1216 OD1 ASN A 84 3.290 8.100 -9.712 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 5.323 8.075 -10.670 1.00 -0.87 N ATOM 0 H ASN A 84 4.261 7.506 -7.137 1.00 -0.46 H new ATOM 0 HA ASN A 84 6.771 8.350 -8.187 1.00 0.04 H new ATOM 0 HB2 ASN A 84 4.060 9.805 -8.099 1.00 -0.09 H new ATOM 0 HB3 ASN A 84 5.413 10.279 -9.107 1.00 -0.09 H new ATOM 0 HD21 ASN A 84 5.019 7.438 -11.407 1.00 -0.87 H new ATOM 0 HD22 ASN A 84 6.287 8.408 -10.650 1.00 -0.87 H new ATOM 1224 N ILE A 85 6.067 9.602 -5.331 1.00 -0.46 N ATOM 1225 CA ILE A 85 6.432 10.610 -4.338 1.00 0.04 C ATOM 1226 C ILE A 85 6.752 9.876 -3.048 1.00 0.62 C ATOM 1227 O ILE A 85 6.757 8.654 -3.079 1.00 -0.50 O ATOM 1228 CB ILE A 85 5.338 11.726 -4.173 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 4.157 11.691 -5.200 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 6.002 13.135 -4.252 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 3.112 10.559 -4.988 1.00 -0.09 C ATOM 0 H ILE A 85 5.591 8.785 -4.949 1.00 -0.46 H new ATOM 0 HA ILE A 85 7.311 11.164 -4.667 1.00 0.04 H new ATOM 0 HB ILE A 85 4.896 11.521 -3.198 1.00 -0.01 H new ATOM 0 HG12 ILE A 85 3.639 12.650 -5.163 1.00 -0.05 H new ATOM 0 HG13 ILE A 85 4.574 11.592 -6.202 1.00 -0.05 H new ATOM 0 HG21 ILE A 85 5.238 13.904 -4.137 1.00 -0.09 H new ATOM 0 HG22 ILE A 85 6.740 13.235 -3.456 1.00 -0.09 H new ATOM 0 HG23 ILE A 85 6.492 13.252 -5.218 1.00 -0.09 H new ATOM 0 HD11 ILE A 85 2.340 10.629 -5.754 1.00 -0.09 H new ATOM 0 HD12 ILE A 85 3.606 9.590 -5.058 1.00 -0.09 H new ATOM 0 HD13 ILE A 85 2.657 10.664 -4.003 1.00 -0.09 H new ATOM 1243 N ASP A 86 7.026 10.567 -1.918 1.00 -0.46 N ATOM 1244 CA ASP A 86 7.306 9.867 -0.666 1.00 0.04 C ATOM 1245 C ASP A 86 6.072 9.761 0.206 1.00 0.62 C ATOM 1246 O ASP A 86 5.118 10.499 0.018 1.00 -0.50 O ATOM 1247 CB ASP A 86 8.432 10.587 0.123 1.00 -0.40 C ATOM 1248 CG ASP A 86 9.789 10.345 -0.479 1.00 0.71 C ATOM 1249 OD1 ASP A 86 9.901 10.285 -1.733 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 10.755 10.187 0.320 1.00 -0.72 O ATOM 0 H ASP A 86 7.057 11.585 -1.857 1.00 -0.46 H new ATOM 0 HA ASP A 86 7.630 8.860 -0.928 1.00 0.04 H new ATOM 0 HB2 ASP A 86 8.231 11.658 0.144 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 8.428 10.241 1.157 1.00 -0.40 H new ATOM 1255 N CYS A 87 6.101 8.842 1.198 1.00 -0.46 N ATOM 1256 CA CYS A 87 5.041 8.795 2.206 1.00 0.04 C ATOM 1257 C CYS A 87 5.002 10.114 2.951 1.00 0.62 C ATOM 1258 O CYS A 87 6.040 10.742 3.084 1.00 -0.50 O ATOM 1259 CB CYS A 87 5.288 7.566 3.127 1.00 -0.10 C ATOM 1260 SG CYS A 87 4.292 7.480 4.649 1.00 0.82 S ATOM 0 H CYS A 87 6.833 8.142 1.314 1.00 -0.46 H new ATOM 0 HA CYS A 87 4.058 8.666 1.753 1.00 0.04 H new ATOM 0 HB2 CYS A 87 5.104 6.662 2.547 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 6.341 7.556 3.407 1.00 -0.10 H new ATOM 1265 N SER A 88 3.822 10.562 3.443 1.00 -0.46 N ATOM 1266 CA SER A 88 3.766 11.858 4.127 1.00 0.04 C ATOM 1267 C SER A 88 4.721 11.890 5.300 1.00 0.62 C ATOM 1268 O SER A 88 5.357 12.908 5.515 1.00 -0.50 O ATOM 1269 CB SER A 88 2.346 12.179 4.662 1.00 0.02 C ATOM 1270 OG SER A 88 2.261 13.521 5.172 1.00 -0.55 O ATOM 0 H SER A 88 2.935 10.063 3.380 1.00 -0.46 H new ATOM 0 HA SER A 88 4.046 12.604 3.383 1.00 0.04 H new ATOM 0 HB2 SER A 88 1.617 12.047 3.862 1.00 0.02 H new ATOM 0 HB3 SER A 88 2.086 11.473 5.450 1.00 0.02 H new ATOM 0 HG SER A 88 1.353 13.690 5.499 1.00 -0.55 H new ATOM 1276 N ARG A 89 4.812 10.779 6.066 1.00 -0.46 N ATOM 1277 CA ARG A 89 5.733 10.717 7.203 1.00 0.04 C ATOM 1278 C ARG A 89 5.317 11.732 8.243 1.00 0.62 C ATOM 1279 O ARG A 89 6.128 12.530 8.685 1.00 -0.50 O ATOM 1280 CB ARG A 89 7.216 10.837 6.748 1.00 -0.08 C ATOM 1281 CG ARG A 89 7.611 9.665 5.803 1.00 -0.10 C ATOM 1282 CD ARG A 89 8.883 10.000 4.974 1.00 -0.23 C ATOM 1283 NE ARG A 89 8.628 11.068 3.997 1.00 -0.32 N ATOM 1284 CZ ARG A 89 9.562 11.635 3.266 1.00 0.76 C ATOM 1285 NH1 ARG A 89 10.820 11.270 3.312 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 9.230 12.606 2.451 1.00 -0.62 N ATOM 0 H ARG A 89 4.265 9.931 5.914 1.00 -0.46 H new ATOM 0 HA ARG A 89 5.672 9.736 7.675 1.00 0.04 H new ATOM 0 HB2 ARG A 89 7.366 11.787 6.236 1.00 -0.08 H new ATOM 0 HB3 ARG A 89 7.868 10.839 7.621 1.00 -0.08 H new ATOM 0 HG2 ARG A 89 7.787 8.765 6.393 1.00 -0.10 H new ATOM 0 HG3 ARG A 89 6.783 9.447 5.128 1.00 -0.10 H new ATOM 0 HD2 ARG A 89 9.686 10.305 5.646 1.00 -0.23 H new ATOM 0 HD3 ARG A 89 9.225 9.105 4.454 1.00 -0.23 H new ATOM 0 HE ARG A 89 7.667 11.389 3.879 1.00 -0.32 H new ATOM 0 HH11 ARG A 89 11.110 10.516 3.935 1.00 -0.62 H new ATOM 0 HH12 ARG A 89 11.509 11.740 2.725 1.00 -0.62 H new ATOM 0 HH21 ARG A 89 8.259 12.912 2.391 1.00 -0.62 H new ATOM 0 HH22 ARG A 89 9.943 13.056 1.877 1.00 -0.62 H new ATOM 1300 N VAL A 90 4.028 11.689 8.653 1.00 -0.46 N ATOM 1301 CA VAL A 90 3.571 12.566 9.731 1.00 0.04 C ATOM 1302 C VAL A 90 4.232 12.139 11.021 1.00 0.62 C ATOM 1303 O VAL A 90 4.840 11.081 11.101 1.00 -0.50 O ATOM 1304 CB VAL A 90 2.020 12.609 9.906 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 1.310 13.088 8.609 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 1.429 11.248 10.370 1.00 -0.09 C ATOM 1307 OXT VAL A 90 4.099 12.983 12.049 1.00 0.00 O ATOM 0 H VAL A 90 3.314 11.074 8.262 1.00 -0.46 H new ATOM 0 HA VAL A 90 3.860 13.581 9.459 1.00 0.04 H new ATOM 0 HB VAL A 90 1.829 13.335 10.697 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 0.232 13.105 8.769 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 1.655 14.090 8.354 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 1.545 12.405 7.792 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 0.348 11.338 10.475 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 1.660 10.480 9.631 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 1.865 10.970 11.330 1.00 -0.09 H new