USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 9 TYR OH : rot -102:sc= 0.306 USER MOD Set 1.2: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot -160:sc= -0.407 USER MOD Set 2.2: A 42 HIS : no HD1:sc= -1.79 K(o=-2.2,f=-2.8!) USER MOD Set 2.3: A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 13 MET CE :methyl -177:sc= -0.853 (180deg=-0.92) USER MOD Single : A 16 GLN : amide:sc= -1.13 K(o=-1.1,f=-4.1!) USER MOD Single : A 17 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.18) USER MOD Single : A 19 ASN : amide:sc= -0.319 K(o=-0.32,f=-3.1!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0636 USER MOD Single : A 28 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.075) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -131:sc= -0.704 (180deg=-1.69) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0651 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.452 F(o=-1.8!,f=-0.45) USER MOD Single : A 61 THR OG1 : rot 140:sc= 1.12 USER MOD Single : A 62 THR OG1 : rot 81:sc= 1.05 USER MOD Single : A 63 ASN :FLIP amide:sc= -1.48 F(o=-4.3!,f=-1.5) USER MOD Single : A 67 SER OG : rot 72:sc= 1.01 USER MOD Single : A 70 MET CE :methyl 154:sc= -0.209 (180deg=-1.13) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 78 HIS : no HD1:sc= -0.0155 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 49 N PRO A 5 9.293 -8.171 -4.737 1.00 21.43 N ATOM 50 CA PRO A 5 8.733 -7.802 -6.042 1.00 62.05 C ATOM 51 C PRO A 5 8.431 -6.296 -6.168 1.00 65.24 C ATOM 52 O PRO A 5 8.044 -5.823 -7.237 1.00 42.20 O ATOM 53 CB PRO A 5 7.441 -8.620 -6.063 1.00 4.34 C ATOM 54 CG PRO A 5 6.982 -8.625 -4.639 1.00 22.45 C ATOM 55 CD PRO A 5 8.228 -8.531 -3.781 1.00 63.33 C ATOM 0 HA PRO A 5 9.418 -8.000 -6.867 1.00 62.05 H new ATOM 0 HB2 PRO A 5 6.696 -8.170 -6.719 1.00 4.34 H new ATOM 0 HB3 PRO A 5 7.617 -9.632 -6.428 1.00 4.34 H new ATOM 0 HG2 PRO A 5 6.314 -7.786 -4.445 1.00 22.45 H new ATOM 0 HG3 PRO A 5 6.425 -9.535 -4.415 1.00 22.45 H new ATOM 0 HD2 PRO A 5 8.120 -7.777 -3.001 1.00 63.33 H new ATOM 0 HD3 PRO A 5 8.442 -9.477 -3.283 1.00 63.33 H new ATOM 63 N MET A 6 8.604 -5.556 -5.065 1.00 3.54 N ATOM 64 CA MET A 6 8.313 -4.113 -5.022 1.00 11.31 C ATOM 65 C MET A 6 6.856 -3.794 -5.405 1.00 3.44 C ATOM 66 O MET A 6 6.559 -2.681 -5.831 1.00 0.23 O ATOM 67 CB MET A 6 9.267 -3.335 -5.947 1.00 53.05 C ATOM 68 CG MET A 6 10.719 -3.357 -5.506 1.00 54.01 C ATOM 69 SD MET A 6 11.774 -2.392 -6.607 1.00 54.15 S ATOM 70 CE MET A 6 13.351 -2.508 -5.767 1.00 0.54 C ATOM 0 H MET A 6 8.947 -5.935 -4.182 1.00 3.54 H new ATOM 0 HA MET A 6 8.465 -3.799 -3.989 1.00 11.31 H new ATOM 0 HB2 MET A 6 9.198 -3.750 -6.953 1.00 53.05 H new ATOM 0 HB3 MET A 6 8.933 -2.299 -6.006 1.00 53.05 H new ATOM 0 HG2 MET A 6 10.796 -2.963 -4.493 1.00 54.01 H new ATOM 0 HG3 MET A 6 11.073 -4.387 -5.475 1.00 54.01 H new ATOM 0 HE1 MET A 6 14.105 -1.958 -6.331 1.00 0.54 H new ATOM 0 HE2 MET A 6 13.263 -2.082 -4.768 1.00 0.54 H new ATOM 0 HE3 MET A 6 13.647 -3.554 -5.691 1.00 0.54 H new ATOM 80 N THR A 7 5.942 -4.745 -5.216 1.00 4.13 N ATOM 81 CA THR A 7 4.543 -4.559 -5.648 1.00 34.21 C ATOM 82 C THR A 7 3.829 -3.448 -4.863 1.00 44.14 C ATOM 83 O THR A 7 2.761 -2.991 -5.263 1.00 20.23 O ATOM 84 CB THR A 7 3.717 -5.869 -5.561 1.00 12.30 C ATOM 85 OG1 THR A 7 3.850 -6.473 -4.266 1.00 70.21 O ATOM 86 CG2 THR A 7 4.155 -6.857 -6.636 1.00 42.24 C ATOM 0 H THR A 7 6.134 -5.644 -4.773 1.00 4.13 H new ATOM 0 HA THR A 7 4.603 -4.258 -6.694 1.00 34.21 H new ATOM 0 HB THR A 7 2.670 -5.612 -5.723 1.00 12.30 H new ATOM 0 HG1 THR A 7 3.603 -7.420 -4.320 1.00 70.21 H new ATOM 0 HG21 THR A 7 3.562 -7.768 -6.556 1.00 42.24 H new ATOM 0 HG22 THR A 7 4.007 -6.413 -7.620 1.00 42.24 H new ATOM 0 HG23 THR A 7 5.210 -7.097 -6.501 1.00 42.24 H new ATOM 94 N PHE A 8 4.416 -3.024 -3.744 1.00 74.32 N ATOM 95 CA PHE A 8 3.930 -1.847 -3.009 1.00 35.14 C ATOM 96 C PHE A 8 4.563 -0.556 -3.560 1.00 50.00 C ATOM 97 O PHE A 8 3.868 0.350 -4.025 1.00 42.11 O ATOM 98 CB PHE A 8 4.250 -1.988 -1.512 1.00 24.25 C ATOM 99 CG PHE A 8 3.883 -0.774 -0.687 1.00 45.41 C ATOM 100 CD1 PHE A 8 2.556 -0.462 -0.437 1.00 75.32 C ATOM 101 CD2 PHE A 8 4.867 0.055 -0.162 1.00 74.40 C ATOM 102 CE1 PHE A 8 2.218 0.647 0.315 1.00 61.03 C ATOM 103 CE2 PHE A 8 4.534 1.166 0.591 1.00 53.10 C ATOM 104 CZ PHE A 8 3.207 1.463 0.830 1.00 23.43 C ATOM 0 H PHE A 8 5.229 -3.475 -3.323 1.00 74.32 H new ATOM 0 HA PHE A 8 2.850 -1.786 -3.141 1.00 35.14 H new ATOM 0 HB2 PHE A 8 3.721 -2.856 -1.118 1.00 24.25 H new ATOM 0 HB3 PHE A 8 5.316 -2.185 -1.396 1.00 24.25 H new ATOM 0 HD1 PHE A 8 1.776 -1.094 -0.835 1.00 75.32 H new ATOM 0 HD2 PHE A 8 5.907 -0.172 -0.345 1.00 74.40 H new ATOM 0 HE1 PHE A 8 1.179 0.876 0.500 1.00 61.03 H new ATOM 0 HE2 PHE A 8 5.311 1.800 0.992 1.00 53.10 H new ATOM 0 HZ PHE A 8 2.943 2.330 1.417 1.00 23.43 H new ATOM 114 N TYR A 9 5.893 -0.494 -3.508 1.00 2.03 N ATOM 115 CA TYR A 9 6.652 0.681 -3.959 1.00 54.05 C ATOM 116 C TYR A 9 6.364 1.029 -5.435 1.00 22.31 C ATOM 117 O TYR A 9 6.134 2.190 -5.776 1.00 54.32 O ATOM 118 CB TYR A 9 8.154 0.423 -3.750 1.00 34.30 C ATOM 119 CG TYR A 9 9.058 1.532 -4.256 1.00 41.31 C ATOM 120 CD1 TYR A 9 9.093 2.773 -3.629 1.00 44.22 C ATOM 121 CD2 TYR A 9 9.878 1.332 -5.360 1.00 74.24 C ATOM 122 CE1 TYR A 9 9.919 3.781 -4.091 1.00 52.40 C ATOM 123 CE2 TYR A 9 10.704 2.335 -5.825 1.00 44.45 C ATOM 124 CZ TYR A 9 10.722 3.558 -5.190 1.00 63.44 C ATOM 125 OH TYR A 9 11.545 4.557 -5.659 1.00 53.20 O ATOM 0 H TYR A 9 6.477 -1.252 -3.154 1.00 2.03 H new ATOM 0 HA TYR A 9 6.336 1.539 -3.365 1.00 54.05 H new ATOM 0 HB2 TYR A 9 8.340 0.276 -2.686 1.00 34.30 H new ATOM 0 HB3 TYR A 9 8.424 -0.506 -4.252 1.00 34.30 H new ATOM 0 HD1 TYR A 9 8.466 2.952 -2.768 1.00 44.22 H new ATOM 0 HD2 TYR A 9 9.869 0.376 -5.862 1.00 74.24 H new ATOM 0 HE1 TYR A 9 9.935 4.739 -3.593 1.00 52.40 H new ATOM 0 HE2 TYR A 9 11.335 2.162 -6.684 1.00 44.45 H new ATOM 0 HH TYR A 9 11.138 4.972 -6.448 1.00 53.20 H new ATOM 135 N ASN A 10 6.374 0.022 -6.301 1.00 75.43 N ATOM 136 CA ASN A 10 6.104 0.224 -7.732 1.00 33.23 C ATOM 137 C ASN A 10 4.676 0.743 -7.975 1.00 54.35 C ATOM 138 O ASN A 10 4.460 1.662 -8.766 1.00 53.33 O ATOM 139 CB ASN A 10 6.325 -1.090 -8.493 1.00 53.43 C ATOM 140 CG ASN A 10 6.072 -0.959 -9.985 1.00 14.11 C ATOM 141 OD1 ASN A 10 4.967 -1.185 -10.464 1.00 53.11 O ATOM 142 ND2 ASN A 10 7.093 -0.592 -10.729 1.00 75.10 N ATOM 0 H ASN A 10 6.566 -0.946 -6.043 1.00 75.43 H new ATOM 0 HA ASN A 10 6.796 0.981 -8.100 1.00 33.23 H new ATOM 0 HB2 ASN A 10 7.348 -1.430 -8.332 1.00 53.43 H new ATOM 0 HB3 ASN A 10 5.666 -1.856 -8.084 1.00 53.43 H new ATOM 0 HD21 ASN A 10 6.978 -0.488 -11.737 1.00 75.10 H new ATOM 0 HD22 ASN A 10 8.000 -0.412 -10.298 1.00 75.10 H new ATOM 149 N PHE A 11 3.708 0.155 -7.273 1.00 53.33 N ATOM 150 CA PHE A 11 2.297 0.523 -7.432 1.00 12.33 C ATOM 151 C PHE A 11 2.060 2.009 -7.115 1.00 72.42 C ATOM 152 O PHE A 11 1.457 2.732 -7.912 1.00 65.53 O ATOM 153 CB PHE A 11 1.413 -0.359 -6.537 1.00 0.25 C ATOM 154 CG PHE A 11 -0.069 -0.103 -6.693 1.00 53.51 C ATOM 155 CD1 PHE A 11 -0.764 -0.614 -7.781 1.00 72.21 C ATOM 156 CD2 PHE A 11 -0.768 0.646 -5.754 1.00 64.21 C ATOM 157 CE1 PHE A 11 -2.121 -0.387 -7.927 1.00 22.13 C ATOM 158 CE2 PHE A 11 -2.123 0.877 -5.897 1.00 53.34 C ATOM 159 CZ PHE A 11 -2.800 0.360 -6.985 1.00 61.31 C ATOM 0 H PHE A 11 3.873 -0.581 -6.586 1.00 53.33 H new ATOM 0 HA PHE A 11 2.027 0.359 -8.475 1.00 12.33 H new ATOM 0 HB2 PHE A 11 1.616 -1.406 -6.762 1.00 0.25 H new ATOM 0 HB3 PHE A 11 1.692 -0.197 -5.496 1.00 0.25 H new ATOM 0 HD1 PHE A 11 -0.238 -1.196 -8.523 1.00 72.21 H new ATOM 0 HD2 PHE A 11 -0.245 1.053 -4.901 1.00 64.21 H new ATOM 0 HE1 PHE A 11 -2.649 -0.794 -8.777 1.00 22.13 H new ATOM 0 HE2 PHE A 11 -2.652 1.461 -5.159 1.00 53.34 H new ATOM 0 HZ PHE A 11 -3.859 0.540 -7.098 1.00 61.31 H new ATOM 169 N ILE A 12 2.545 2.465 -5.959 1.00 24.25 N ATOM 170 CA ILE A 12 2.348 3.860 -5.542 1.00 74.14 C ATOM 171 C ILE A 12 3.044 4.849 -6.501 1.00 71.02 C ATOM 172 O ILE A 12 2.529 5.941 -6.762 1.00 52.45 O ATOM 173 CB ILE A 12 2.833 4.101 -4.085 1.00 40.40 C ATOM 174 CG1 ILE A 12 2.442 5.512 -3.610 1.00 32.54 C ATOM 175 CG2 ILE A 12 4.341 3.891 -3.960 1.00 62.22 C ATOM 176 CD1 ILE A 12 0.948 5.744 -3.548 1.00 35.15 C ATOM 0 H ILE A 12 3.073 1.896 -5.297 1.00 24.25 H new ATOM 0 HA ILE A 12 1.274 4.044 -5.581 1.00 74.14 H new ATOM 0 HB ILE A 12 2.340 3.370 -3.444 1.00 40.40 H new ATOM 0 HG12 ILE A 12 2.868 5.683 -2.621 1.00 32.54 H new ATOM 0 HG13 ILE A 12 2.887 6.247 -4.281 1.00 32.54 H new ATOM 0 HG21 ILE A 12 4.649 4.067 -2.929 1.00 62.22 H new ATOM 0 HG22 ILE A 12 4.591 2.869 -4.244 1.00 62.22 H new ATOM 0 HG23 ILE A 12 4.861 4.587 -4.618 1.00 62.22 H new ATOM 0 HD11 ILE A 12 0.751 6.760 -3.205 1.00 35.15 H new ATOM 0 HD12 ILE A 12 0.517 5.606 -4.540 1.00 35.15 H new ATOM 0 HD13 ILE A 12 0.498 5.034 -2.855 1.00 35.15 H new ATOM 188 N MET A 13 4.202 4.459 -7.046 1.00 4.22 N ATOM 189 CA MET A 13 4.918 5.310 -8.009 1.00 74.24 C ATOM 190 C MET A 13 4.121 5.487 -9.309 1.00 54.35 C ATOM 191 O MET A 13 4.407 6.388 -10.101 1.00 63.43 O ATOM 192 CB MET A 13 6.310 4.755 -8.328 1.00 40.55 C ATOM 193 CG MET A 13 7.277 4.779 -7.151 1.00 65.10 C ATOM 194 SD MET A 13 8.990 4.542 -7.666 1.00 15.41 S ATOM 195 CE MET A 13 8.853 3.024 -8.606 1.00 74.24 C ATOM 0 H MET A 13 4.661 3.571 -6.841 1.00 4.22 H new ATOM 0 HA MET A 13 5.033 6.285 -7.536 1.00 74.24 H new ATOM 0 HB2 MET A 13 6.208 3.728 -8.679 1.00 40.55 H new ATOM 0 HB3 MET A 13 6.739 5.331 -9.148 1.00 40.55 H new ATOM 0 HG2 MET A 13 7.186 5.731 -6.628 1.00 65.10 H new ATOM 0 HG3 MET A 13 7.002 3.998 -6.442 1.00 65.10 H new ATOM 0 HE1 MET A 13 9.842 2.717 -8.947 1.00 74.24 H new ATOM 0 HE2 MET A 13 8.428 2.243 -7.976 1.00 74.24 H new ATOM 0 HE3 MET A 13 8.206 3.187 -9.468 1.00 74.24 H new ATOM 205 N GLY A 14 3.125 4.627 -9.526 1.00 13.30 N ATOM 206 CA GLY A 14 2.237 4.781 -10.673 1.00 42.11 C ATOM 207 C GLY A 14 1.482 6.111 -10.658 1.00 50.50 C ATOM 208 O GLY A 14 0.971 6.562 -11.685 1.00 3.51 O ATOM 0 H GLY A 14 2.916 3.827 -8.929 1.00 13.30 H new ATOM 0 HA2 GLY A 14 2.820 4.709 -11.591 1.00 42.11 H new ATOM 0 HA3 GLY A 14 1.520 3.960 -10.685 1.00 42.11 H new ATOM 212 N PHE A 15 1.406 6.733 -9.480 1.00 73.41 N ATOM 213 CA PHE A 15 0.762 8.046 -9.320 1.00 71.24 C ATOM 214 C PHE A 15 1.809 9.158 -9.103 1.00 12.31 C ATOM 215 O PHE A 15 1.465 10.337 -8.972 1.00 44.31 O ATOM 216 CB PHE A 15 -0.209 8.007 -8.132 1.00 45.54 C ATOM 217 CG PHE A 15 -1.214 6.881 -8.198 1.00 3.13 C ATOM 218 CD1 PHE A 15 -2.400 7.030 -8.902 1.00 61.24 C ATOM 219 CD2 PHE A 15 -0.970 5.673 -7.555 1.00 23.43 C ATOM 220 CE1 PHE A 15 -3.322 6.000 -8.963 1.00 1.44 C ATOM 221 CE2 PHE A 15 -1.888 4.641 -7.614 1.00 44.23 C ATOM 222 CZ PHE A 15 -3.065 4.805 -8.318 1.00 35.15 C ATOM 0 H PHE A 15 1.784 6.348 -8.614 1.00 73.41 H new ATOM 0 HA PHE A 15 0.213 8.270 -10.235 1.00 71.24 H new ATOM 0 HB2 PHE A 15 0.365 7.915 -7.210 1.00 45.54 H new ATOM 0 HB3 PHE A 15 -0.744 8.955 -8.081 1.00 45.54 H new ATOM 0 HD1 PHE A 15 -2.606 7.961 -9.409 1.00 61.24 H new ATOM 0 HD2 PHE A 15 -0.052 5.539 -7.002 1.00 23.43 H new ATOM 0 HE1 PHE A 15 -4.242 6.130 -9.514 1.00 1.44 H new ATOM 0 HE2 PHE A 15 -1.685 3.708 -7.110 1.00 44.23 H new ATOM 0 HZ PHE A 15 -3.784 4.000 -8.364 1.00 35.15 H new ATOM 232 N GLN A 16 3.087 8.776 -9.074 1.00 61.35 N ATOM 233 CA GLN A 16 4.184 9.719 -8.823 1.00 22.24 C ATOM 234 C GLN A 16 4.594 10.454 -10.109 1.00 30.44 C ATOM 235 O GLN A 16 5.598 10.129 -10.743 1.00 23.13 O ATOM 236 CB GLN A 16 5.393 8.985 -8.213 1.00 53.42 C ATOM 237 CG GLN A 16 6.591 9.882 -7.894 1.00 45.35 C ATOM 238 CD GLN A 16 6.279 10.946 -6.859 1.00 50.32 C ATOM 239 OE1 GLN A 16 5.446 10.751 -5.985 1.00 31.41 O ATOM 240 NE2 GLN A 16 6.942 12.081 -6.951 1.00 35.43 N ATOM 0 H GLN A 16 3.391 7.814 -9.222 1.00 61.35 H new ATOM 0 HA GLN A 16 3.830 10.464 -8.111 1.00 22.24 H new ATOM 0 HB2 GLN A 16 5.075 8.488 -7.297 1.00 53.42 H new ATOM 0 HB3 GLN A 16 5.714 8.205 -8.904 1.00 53.42 H new ATOM 0 HG2 GLN A 16 7.414 9.264 -7.535 1.00 45.35 H new ATOM 0 HG3 GLN A 16 6.931 10.364 -8.811 1.00 45.35 H new ATOM 0 HE21 GLN A 16 7.630 12.211 -7.692 1.00 35.43 H new ATOM 0 HE22 GLN A 16 6.767 12.830 -6.281 1.00 35.43 H new ATOM 249 N ASN A 17 3.783 11.430 -10.505 1.00 31.51 N ATOM 250 CA ASN A 17 4.058 12.246 -11.698 1.00 73.41 C ATOM 251 C ASN A 17 3.614 13.697 -11.469 1.00 51.12 C ATOM 252 O ASN A 17 4.406 14.633 -11.580 1.00 3.31 O ATOM 253 CB ASN A 17 3.339 11.665 -12.925 1.00 15.10 C ATOM 254 CG ASN A 17 3.835 10.276 -13.294 1.00 3.02 C ATOM 255 OD1 ASN A 17 3.341 9.274 -12.796 1.00 33.34 O ATOM 256 ND2 ASN A 17 4.814 10.202 -14.174 1.00 55.21 N ATOM 0 H ASN A 17 2.923 11.681 -10.018 1.00 31.51 H new ATOM 0 HA ASN A 17 5.132 12.232 -11.882 1.00 73.41 H new ATOM 0 HB2 ASN A 17 2.268 11.623 -12.727 1.00 15.10 H new ATOM 0 HB3 ASN A 17 3.480 12.334 -13.774 1.00 15.10 H new ATOM 0 HD21 ASN A 17 5.179 9.292 -14.456 1.00 55.21 H new ATOM 0 HD22 ASN A 17 5.207 11.055 -14.573 1.00 55.21 H new ATOM 263 N ASP A 18 2.334 13.870 -11.150 1.00 14.23 N ATOM 264 CA ASP A 18 1.773 15.189 -10.840 1.00 61.40 C ATOM 265 C ASP A 18 1.725 15.428 -9.323 1.00 52.33 C ATOM 266 O ASP A 18 2.094 14.554 -8.532 1.00 74.31 O ATOM 267 CB ASP A 18 0.364 15.295 -11.429 1.00 62.13 C ATOM 268 CG ASP A 18 0.357 15.086 -12.932 1.00 54.12 C ATOM 269 OD1 ASP A 18 0.279 13.918 -13.376 1.00 41.41 O ATOM 270 OD2 ASP A 18 0.443 16.084 -13.675 1.00 65.55 O ATOM 0 H ASP A 18 1.658 13.108 -11.098 1.00 14.23 H new ATOM 0 HA ASP A 18 2.416 15.951 -11.282 1.00 61.40 H new ATOM 0 HB2 ASP A 18 -0.282 14.555 -10.957 1.00 62.13 H new ATOM 0 HB3 ASP A 18 -0.052 16.275 -11.198 1.00 62.13 H new ATOM 275 N ASN A 19 1.281 16.616 -8.915 1.00 61.00 N ATOM 276 CA ASN A 19 1.092 16.916 -7.494 1.00 42.11 C ATOM 277 C ASN A 19 -0.158 16.190 -6.966 1.00 20.41 C ATOM 278 O ASN A 19 -1.287 16.657 -7.136 1.00 35.45 O ATOM 279 CB ASN A 19 0.975 18.435 -7.278 1.00 61.35 C ATOM 280 CG ASN A 19 1.061 18.835 -5.812 1.00 2.22 C ATOM 281 OD1 ASN A 19 0.654 18.097 -4.920 1.00 14.42 O ATOM 282 ND2 ASN A 19 1.611 20.003 -5.550 1.00 73.13 N ATOM 0 H ASN A 19 1.046 17.384 -9.544 1.00 61.00 H new ATOM 0 HA ASN A 19 1.960 16.561 -6.938 1.00 42.11 H new ATOM 0 HB2 ASN A 19 1.767 18.938 -7.833 1.00 61.35 H new ATOM 0 HB3 ASN A 19 0.027 18.783 -7.689 1.00 61.35 H new ATOM 0 HD21 ASN A 19 1.708 20.316 -4.584 1.00 73.13 H new ATOM 0 HD22 ASN A 19 1.940 20.594 -6.313 1.00 73.13 H new ATOM 289 N THR A 20 0.053 15.019 -6.366 1.00 31.34 N ATOM 290 CA THR A 20 -1.051 14.182 -5.871 1.00 72.32 C ATOM 291 C THR A 20 -0.838 13.780 -4.405 1.00 50.21 C ATOM 292 O THR A 20 0.300 13.691 -3.940 1.00 51.02 O ATOM 293 CB THR A 20 -1.201 12.881 -6.703 1.00 32.43 C ATOM 294 OG1 THR A 20 -0.079 12.011 -6.472 1.00 23.41 O ATOM 295 CG2 THR A 20 -1.315 13.180 -8.195 1.00 11.21 C ATOM 0 H THR A 20 0.980 14.623 -6.208 1.00 31.34 H new ATOM 0 HA THR A 20 -1.953 14.787 -5.965 1.00 72.32 H new ATOM 0 HB THR A 20 -2.119 12.389 -6.381 1.00 32.43 H new ATOM 0 HG1 THR A 20 -0.185 11.193 -7.001 1.00 23.41 H new ATOM 0 HG21 THR A 20 -1.419 12.246 -8.746 1.00 11.21 H new ATOM 0 HG22 THR A 20 -2.189 13.806 -8.375 1.00 11.21 H new ATOM 0 HG23 THR A 20 -0.419 13.702 -8.531 1.00 11.21 H new ATOM 303 N PRO A 21 -1.930 13.519 -3.653 1.00 20.04 N ATOM 304 CA PRO A 21 -1.836 12.986 -2.280 1.00 74.42 C ATOM 305 C PRO A 21 -1.002 11.692 -2.211 1.00 62.35 C ATOM 306 O PRO A 21 -0.381 11.385 -1.191 1.00 34.03 O ATOM 307 CB PRO A 21 -3.300 12.707 -1.910 1.00 0.14 C ATOM 308 CG PRO A 21 -4.087 13.648 -2.760 1.00 53.52 C ATOM 309 CD PRO A 21 -3.332 13.751 -4.059 1.00 4.11 C ATOM 0 HA PRO A 21 -1.336 13.679 -1.603 1.00 74.42 H new ATOM 0 HB2 PRO A 21 -3.570 11.670 -2.112 1.00 0.14 H new ATOM 0 HB3 PRO A 21 -3.482 12.883 -0.850 1.00 0.14 H new ATOM 0 HG2 PRO A 21 -5.098 13.276 -2.923 1.00 53.52 H new ATOM 0 HG3 PRO A 21 -4.179 14.623 -2.282 1.00 53.52 H new ATOM 0 HD2 PRO A 21 -3.670 13.008 -4.782 1.00 4.11 H new ATOM 0 HD3 PRO A 21 -3.460 14.729 -4.523 1.00 4.11 H new ATOM 317 N PHE A 22 -0.992 10.946 -3.317 1.00 14.32 N ATOM 318 CA PHE A 22 -0.217 9.705 -3.423 1.00 24.45 C ATOM 319 C PHE A 22 1.293 9.992 -3.435 1.00 52.41 C ATOM 320 O PHE A 22 2.088 9.222 -2.892 1.00 4.04 O ATOM 321 CB PHE A 22 -0.613 8.950 -4.699 1.00 73.35 C ATOM 322 CG PHE A 22 -2.081 8.603 -4.773 1.00 3.44 C ATOM 323 CD1 PHE A 22 -2.992 9.491 -5.335 1.00 41.23 C ATOM 324 CD2 PHE A 22 -2.550 7.391 -4.282 1.00 22.00 C ATOM 325 CE1 PHE A 22 -4.336 9.175 -5.407 1.00 34.53 C ATOM 326 CE2 PHE A 22 -3.893 7.072 -4.354 1.00 55.22 C ATOM 327 CZ PHE A 22 -4.787 7.964 -4.915 1.00 23.24 C ATOM 0 H PHE A 22 -1.516 11.181 -4.160 1.00 14.32 H new ATOM 0 HA PHE A 22 -0.440 9.090 -2.551 1.00 24.45 H new ATOM 0 HB2 PHE A 22 -0.349 9.557 -5.565 1.00 73.35 H new ATOM 0 HB3 PHE A 22 -0.029 8.032 -4.763 1.00 73.35 H new ATOM 0 HD1 PHE A 22 -2.645 10.439 -5.720 1.00 41.23 H new ATOM 0 HD2 PHE A 22 -1.858 6.690 -3.839 1.00 22.00 H new ATOM 0 HE1 PHE A 22 -5.033 9.873 -5.847 1.00 34.53 H new ATOM 0 HE2 PHE A 22 -4.244 6.125 -3.972 1.00 55.22 H new ATOM 0 HZ PHE A 22 -5.837 7.716 -4.969 1.00 23.24 H new ATOM 337 N GLY A 23 1.677 11.113 -4.052 1.00 0.12 N ATOM 338 CA GLY A 23 3.083 11.511 -4.098 1.00 34.43 C ATOM 339 C GLY A 23 3.695 11.706 -2.714 1.00 51.22 C ATOM 340 O GLY A 23 4.903 11.514 -2.524 1.00 53.33 O ATOM 0 H GLY A 23 1.039 11.755 -4.522 1.00 0.12 H new ATOM 0 HA2 GLY A 23 3.652 10.753 -4.637 1.00 34.43 H new ATOM 0 HA3 GLY A 23 3.174 12.439 -4.663 1.00 34.43 H new ATOM 344 N ILE A 24 2.864 12.090 -1.745 1.00 54.43 N ATOM 345 CA ILE A 24 3.311 12.239 -0.356 1.00 14.14 C ATOM 346 C ILE A 24 3.773 10.892 0.215 1.00 44.33 C ATOM 347 O ILE A 24 4.756 10.816 0.952 1.00 2.13 O ATOM 348 CB ILE A 24 2.184 12.822 0.540 1.00 44.20 C ATOM 349 CG1 ILE A 24 1.697 14.170 -0.018 1.00 20.03 C ATOM 350 CG2 ILE A 24 2.659 12.979 1.987 1.00 54.40 C ATOM 351 CD1 ILE A 24 2.779 15.231 -0.095 1.00 63.23 C ATOM 0 H ILE A 24 1.878 12.304 -1.894 1.00 54.43 H new ATOM 0 HA ILE A 24 4.150 12.934 -0.358 1.00 14.14 H new ATOM 0 HB ILE A 24 1.349 12.121 0.534 1.00 44.20 H new ATOM 0 HG12 ILE A 24 1.285 14.012 -1.015 1.00 20.03 H new ATOM 0 HG13 ILE A 24 0.884 14.539 0.608 1.00 20.03 H new ATOM 0 HG21 ILE A 24 1.851 13.389 2.593 1.00 54.40 H new ATOM 0 HG22 ILE A 24 2.951 12.006 2.382 1.00 54.40 H new ATOM 0 HG23 ILE A 24 3.514 13.654 2.018 1.00 54.40 H new ATOM 0 HD11 ILE A 24 2.358 16.152 -0.498 1.00 63.23 H new ATOM 0 HD12 ILE A 24 3.175 15.420 0.903 1.00 63.23 H new ATOM 0 HD13 ILE A 24 3.583 14.885 -0.745 1.00 63.23 H new ATOM 363 N LEU A 25 3.060 9.830 -0.143 1.00 22.15 N ATOM 364 CA LEU A 25 3.408 8.478 0.294 1.00 53.53 C ATOM 365 C LEU A 25 4.607 7.944 -0.511 1.00 13.32 C ATOM 366 O LEU A 25 5.576 7.445 0.062 1.00 14.30 O ATOM 367 CB LEU A 25 2.179 7.557 0.146 1.00 42.02 C ATOM 368 CG LEU A 25 2.264 6.164 0.813 1.00 52.20 C ATOM 369 CD1 LEU A 25 3.100 5.187 -0.007 1.00 71.53 C ATOM 370 CD2 LEU A 25 2.813 6.275 2.233 1.00 53.55 C ATOM 0 H LEU A 25 2.233 9.877 -0.738 1.00 22.15 H new ATOM 0 HA LEU A 25 3.701 8.500 1.344 1.00 53.53 H new ATOM 0 HB2 LEU A 25 1.314 8.077 0.557 1.00 42.02 H new ATOM 0 HB3 LEU A 25 1.989 7.413 -0.918 1.00 42.02 H new ATOM 0 HG LEU A 25 1.249 5.768 0.859 1.00 52.20 H new ATOM 0 HD11 LEU A 25 3.132 4.222 0.499 1.00 71.53 H new ATOM 0 HD12 LEU A 25 2.653 5.065 -0.994 1.00 71.53 H new ATOM 0 HD13 LEU A 25 4.113 5.575 -0.113 1.00 71.53 H new ATOM 0 HD21 LEU A 25 2.864 5.283 2.682 1.00 53.55 H new ATOM 0 HD22 LEU A 25 3.811 6.712 2.204 1.00 53.55 H new ATOM 0 HD23 LEU A 25 2.157 6.910 2.828 1.00 53.55 H new ATOM 382 N ALA A 26 4.536 8.078 -1.835 1.00 3.20 N ATOM 383 CA ALA A 26 5.580 7.567 -2.740 1.00 3.04 C ATOM 384 C ALA A 26 6.989 8.065 -2.366 1.00 3.24 C ATOM 385 O ALA A 26 7.876 7.265 -2.058 1.00 31.12 O ATOM 386 CB ALA A 26 5.256 7.947 -4.181 1.00 50.42 C ATOM 0 H ALA A 26 3.762 8.539 -2.313 1.00 3.20 H new ATOM 0 HA ALA A 26 5.588 6.482 -2.636 1.00 3.04 H new ATOM 0 HB1 ALA A 26 6.034 7.565 -4.842 1.00 50.42 H new ATOM 0 HB2 ALA A 26 4.296 7.516 -4.464 1.00 50.42 H new ATOM 0 HB3 ALA A 26 5.207 9.032 -4.269 1.00 50.42 H new ATOM 392 N GLU A 27 7.191 9.385 -2.377 1.00 54.33 N ATOM 393 CA GLU A 27 8.515 9.964 -2.093 1.00 12.32 C ATOM 394 C GLU A 27 8.906 9.834 -0.610 1.00 64.13 C ATOM 395 O GLU A 27 10.043 10.125 -0.233 1.00 51.04 O ATOM 396 CB GLU A 27 8.568 11.438 -2.527 1.00 54.11 C ATOM 397 CG GLU A 27 8.385 11.637 -4.027 1.00 62.31 C ATOM 398 CD GLU A 27 8.618 13.072 -4.467 1.00 40.42 C ATOM 399 OE1 GLU A 27 9.785 13.440 -4.721 1.00 73.01 O ATOM 400 OE2 GLU A 27 7.640 13.844 -4.559 1.00 4.42 O ATOM 0 H GLU A 27 6.464 10.072 -2.577 1.00 54.33 H new ATOM 0 HA GLU A 27 9.240 9.393 -2.673 1.00 12.32 H new ATOM 0 HB2 GLU A 27 7.793 11.992 -1.998 1.00 54.11 H new ATOM 0 HB3 GLU A 27 9.526 11.863 -2.226 1.00 54.11 H new ATOM 0 HG2 GLU A 27 9.073 10.982 -4.562 1.00 62.31 H new ATOM 0 HG3 GLU A 27 7.376 11.336 -4.308 1.00 62.31 H new ATOM 407 N HIS A 28 7.969 9.399 0.229 1.00 62.30 N ATOM 408 CA HIS A 28 8.254 9.193 1.654 1.00 72.11 C ATOM 409 C HIS A 28 8.721 7.749 1.918 1.00 31.43 C ATOM 410 O HIS A 28 9.685 7.524 2.649 1.00 71.05 O ATOM 411 CB HIS A 28 7.018 9.522 2.498 1.00 43.02 C ATOM 412 CG HIS A 28 7.307 9.682 3.959 1.00 62.11 C ATOM 413 ND1 HIS A 28 7.784 10.854 4.501 1.00 53.45 N ATOM 414 CD2 HIS A 28 7.176 8.821 4.996 1.00 11.14 C ATOM 415 CE1 HIS A 28 7.933 10.712 5.800 1.00 24.13 C ATOM 416 NE2 HIS A 28 7.570 9.491 6.128 1.00 60.22 N ATOM 0 H HIS A 28 7.011 9.183 -0.047 1.00 62.30 H new ATOM 0 HA HIS A 28 9.061 9.867 1.942 1.00 72.11 H new ATOM 0 HB2 HIS A 28 6.569 10.442 2.124 1.00 43.02 H new ATOM 0 HB3 HIS A 28 6.280 8.731 2.368 1.00 43.02 H new ATOM 0 HD2 HIS A 28 6.827 7.800 4.943 1.00 11.14 H new ATOM 0 HE1 HIS A 28 8.292 11.469 6.481 1.00 24.13 H new ATOM 0 HE2 HIS A 28 7.580 9.104 7.072 1.00 60.22 H new ATOM 425 N VAL A 29 8.038 6.774 1.314 1.00 32.21 N ATOM 426 CA VAL A 29 8.434 5.364 1.441 1.00 41.12 C ATOM 427 C VAL A 29 9.671 5.051 0.587 1.00 42.11 C ATOM 428 O VAL A 29 10.380 4.080 0.841 1.00 10.24 O ATOM 429 CB VAL A 29 7.282 4.399 1.058 1.00 30.20 C ATOM 430 CG1 VAL A 29 6.083 4.598 1.983 1.00 1.55 C ATOM 431 CG2 VAL A 29 6.886 4.577 -0.407 1.00 44.22 C ATOM 0 H VAL A 29 7.213 6.930 0.735 1.00 32.21 H new ATOM 0 HA VAL A 29 8.678 5.207 2.492 1.00 41.12 H new ATOM 0 HB VAL A 29 7.637 3.376 1.183 1.00 30.20 H new ATOM 0 HG11 VAL A 29 5.286 3.912 1.698 1.00 1.55 H new ATOM 0 HG12 VAL A 29 6.381 4.400 3.013 1.00 1.55 H new ATOM 0 HG13 VAL A 29 5.726 5.624 1.900 1.00 1.55 H new ATOM 0 HG21 VAL A 29 6.076 3.889 -0.651 1.00 44.22 H new ATOM 0 HG22 VAL A 29 6.554 5.602 -0.572 1.00 44.22 H new ATOM 0 HG23 VAL A 29 7.745 4.367 -1.044 1.00 44.22 H new ATOM 441 N SER A 30 9.918 5.882 -0.430 1.00 43.24 N ATOM 442 CA SER A 30 11.136 5.768 -1.250 1.00 32.45 C ATOM 443 C SER A 30 12.395 5.878 -0.383 1.00 1.01 C ATOM 444 O SER A 30 13.433 5.290 -0.692 1.00 20.44 O ATOM 445 CB SER A 30 11.161 6.860 -2.330 1.00 24.33 C ATOM 446 OG SER A 30 12.348 6.800 -3.109 1.00 42.23 O ATOM 0 H SER A 30 9.295 6.640 -0.708 1.00 43.24 H new ATOM 0 HA SER A 30 11.124 4.788 -1.728 1.00 32.45 H new ATOM 0 HB2 SER A 30 10.293 6.749 -2.980 1.00 24.33 H new ATOM 0 HB3 SER A 30 11.084 7.840 -1.859 1.00 24.33 H new ATOM 0 HG SER A 30 12.330 7.507 -3.787 1.00 42.23 H new ATOM 452 N GLU A 31 12.290 6.624 0.715 1.00 54.01 N ATOM 453 CA GLU A 31 13.406 6.787 1.646 1.00 3.24 C ATOM 454 C GLU A 31 12.908 7.053 3.079 1.00 64.21 C ATOM 455 O GLU A 31 12.748 8.202 3.492 1.00 42.13 O ATOM 456 CB GLU A 31 14.326 7.929 1.181 1.00 20.41 C ATOM 457 CG GLU A 31 15.648 8.014 1.942 1.00 23.54 C ATOM 458 CD GLU A 31 16.530 9.159 1.469 1.00 21.51 C ATOM 459 OE1 GLU A 31 16.975 9.133 0.302 1.00 43.24 O ATOM 460 OE2 GLU A 31 16.773 10.099 2.257 1.00 64.25 O ATOM 0 H GLU A 31 11.443 7.126 0.982 1.00 54.01 H new ATOM 0 HA GLU A 31 13.972 5.856 1.656 1.00 3.24 H new ATOM 0 HB2 GLU A 31 14.538 7.801 0.119 1.00 20.41 H new ATOM 0 HB3 GLU A 31 13.796 8.875 1.289 1.00 20.41 H new ATOM 0 HG2 GLU A 31 15.442 8.136 3.005 1.00 23.54 H new ATOM 0 HG3 GLU A 31 16.188 7.074 1.828 1.00 23.54 H new ATOM 467 N ASP A 32 12.625 5.984 3.821 1.00 25.50 N ATOM 468 CA ASP A 32 12.279 6.103 5.239 1.00 43.04 C ATOM 469 C ASP A 32 13.571 6.170 6.070 1.00 54.33 C ATOM 470 O ASP A 32 13.785 7.095 6.855 1.00 14.42 O ATOM 471 CB ASP A 32 11.408 4.908 5.676 1.00 33.23 C ATOM 472 CG ASP A 32 12.182 3.595 5.717 1.00 63.51 C ATOM 473 OD1 ASP A 32 12.720 3.182 4.665 1.00 33.14 O ATOM 474 OD2 ASP A 32 12.304 3.004 6.810 1.00 54.25 O ATOM 0 H ASP A 32 12.628 5.028 3.467 1.00 25.50 H new ATOM 0 HA ASP A 32 11.705 7.015 5.401 1.00 43.04 H new ATOM 0 HB2 ASP A 32 10.992 5.110 6.663 1.00 33.23 H new ATOM 0 HB3 ASP A 32 10.567 4.807 4.990 1.00 33.23 H new ATOM 479 N LYS A 33 14.421 5.172 5.843 1.00 64.41 N ATOM 480 CA LYS A 33 15.745 5.038 6.450 1.00 12.44 C ATOM 481 C LYS A 33 16.562 4.074 5.578 1.00 1.52 C ATOM 482 O LYS A 33 17.643 4.422 5.092 1.00 72.22 O ATOM 483 CB LYS A 33 15.670 4.498 7.899 1.00 2.13 C ATOM 484 CG LYS A 33 15.078 5.478 8.915 1.00 13.55 C ATOM 485 CD LYS A 33 15.152 4.952 10.350 1.00 63.42 C ATOM 486 CE LYS A 33 14.368 3.660 10.535 1.00 55.53 C ATOM 487 NZ LYS A 33 14.410 3.180 11.943 1.00 4.14 N ATOM 0 H LYS A 33 14.200 4.405 5.208 1.00 64.41 H new ATOM 0 HA LYS A 33 16.213 6.021 6.502 1.00 12.44 H new ATOM 0 HB2 LYS A 33 15.072 3.586 7.902 1.00 2.13 H new ATOM 0 HB3 LYS A 33 16.674 4.222 8.222 1.00 2.13 H new ATOM 0 HG2 LYS A 33 15.610 6.427 8.852 1.00 13.55 H new ATOM 0 HG3 LYS A 33 14.038 5.678 8.658 1.00 13.55 H new ATOM 0 HD2 LYS A 33 16.195 4.783 10.619 1.00 63.42 H new ATOM 0 HD3 LYS A 33 14.766 5.709 11.032 1.00 63.42 H new ATOM 0 HE2 LYS A 33 13.332 3.819 10.237 1.00 55.53 H new ATOM 0 HE3 LYS A 33 14.775 2.892 9.878 1.00 55.53 H new ATOM 0 HZ1 LYS A 33 13.864 2.299 12.026 1.00 4.14 H new ATOM 0 HZ2 LYS A 33 15.397 3.004 12.220 1.00 4.14 H new ATOM 0 HZ3 LYS A 33 13.998 3.902 12.568 1.00 4.14 H new ATOM 501 N ALA A 34 15.996 2.867 5.382 1.00 63.41 N ATOM 502 CA ALA A 34 16.556 1.829 4.484 1.00 1.44 C ATOM 503 C ALA A 34 15.955 0.438 4.769 1.00 4.43 C ATOM 504 O ALA A 34 16.599 -0.581 4.513 1.00 51.43 O ATOM 505 CB ALA A 34 18.073 1.740 4.621 1.00 20.04 C ATOM 0 H ALA A 34 15.133 2.580 5.843 1.00 63.41 H new ATOM 0 HA ALA A 34 16.295 2.129 3.469 1.00 1.44 H new ATOM 0 HB1 ALA A 34 18.454 0.970 3.950 1.00 20.04 H new ATOM 0 HB2 ALA A 34 18.519 2.700 4.362 1.00 20.04 H new ATOM 0 HB3 ALA A 34 18.331 1.486 5.649 1.00 20.04 H new ATOM 511 N PHE A 35 14.716 0.377 5.263 1.00 0.05 N ATOM 512 CA PHE A 35 14.174 -0.896 5.769 1.00 34.00 C ATOM 513 C PHE A 35 12.861 -1.330 5.086 1.00 40.13 C ATOM 514 O PHE A 35 11.766 -1.009 5.556 1.00 10.33 O ATOM 515 CB PHE A 35 13.971 -0.815 7.289 1.00 14.44 C ATOM 516 CG PHE A 35 15.245 -0.542 8.049 1.00 73.41 C ATOM 517 CD1 PHE A 35 16.119 -1.576 8.361 1.00 50.43 C ATOM 518 CD2 PHE A 35 15.569 0.747 8.449 1.00 34.30 C ATOM 519 CE1 PHE A 35 17.289 -1.328 9.052 1.00 41.32 C ATOM 520 CE2 PHE A 35 16.737 0.998 9.140 1.00 12.02 C ATOM 521 CZ PHE A 35 17.597 -0.040 9.444 1.00 63.53 C ATOM 0 H PHE A 35 14.079 1.171 5.325 1.00 0.05 H new ATOM 0 HA PHE A 35 14.913 -1.659 5.525 1.00 34.00 H new ATOM 0 HB2 PHE A 35 13.249 -0.029 7.510 1.00 14.44 H new ATOM 0 HB3 PHE A 35 13.540 -1.752 7.641 1.00 14.44 H new ATOM 0 HD1 PHE A 35 15.881 -2.585 8.060 1.00 50.43 H new ATOM 0 HD2 PHE A 35 14.900 1.562 8.217 1.00 34.30 H new ATOM 0 HE1 PHE A 35 17.962 -2.140 9.285 1.00 41.32 H new ATOM 0 HE2 PHE A 35 16.979 2.006 9.443 1.00 12.02 H new ATOM 0 HZ PHE A 35 18.509 0.156 9.988 1.00 63.53 H new ATOM 531 N PRO A 36 12.952 -2.075 3.963 1.00 42.14 N ATOM 532 CA PRO A 36 11.798 -2.774 3.388 1.00 0.22 C ATOM 533 C PRO A 36 11.426 -3.988 4.251 1.00 41.34 C ATOM 534 O PRO A 36 12.063 -5.041 4.167 1.00 24.40 O ATOM 535 CB PRO A 36 12.283 -3.214 1.987 1.00 34.23 C ATOM 536 CG PRO A 36 13.595 -2.519 1.781 1.00 45.53 C ATOM 537 CD PRO A 36 14.161 -2.279 3.154 1.00 70.32 C ATOM 0 HA PRO A 36 10.905 -2.151 3.338 1.00 0.22 H new ATOM 0 HB2 PRO A 36 12.400 -4.296 1.934 1.00 34.23 H new ATOM 0 HB3 PRO A 36 11.565 -2.933 1.217 1.00 34.23 H new ATOM 0 HG2 PRO A 36 14.270 -3.131 1.183 1.00 45.53 H new ATOM 0 HG3 PRO A 36 13.458 -1.579 1.246 1.00 45.53 H new ATOM 0 HD2 PRO A 36 14.747 -3.128 3.506 1.00 70.32 H new ATOM 0 HD3 PRO A 36 14.817 -1.408 3.177 1.00 70.32 H new ATOM 545 N ARG A 37 10.414 -3.827 5.101 1.00 31.21 N ATOM 546 CA ARG A 37 10.094 -4.831 6.123 1.00 2.12 C ATOM 547 C ARG A 37 9.762 -6.217 5.550 1.00 5.05 C ATOM 548 O ARG A 37 10.467 -7.188 5.835 1.00 73.33 O ATOM 549 CB ARG A 37 8.959 -4.338 7.033 1.00 11.34 C ATOM 550 CG ARG A 37 9.422 -3.341 8.094 1.00 64.34 C ATOM 551 CD ARG A 37 10.506 -3.953 8.981 1.00 1.14 C ATOM 552 NE ARG A 37 10.939 -3.060 10.054 1.00 35.04 N ATOM 553 CZ ARG A 37 12.084 -3.174 10.674 1.00 62.33 C ATOM 554 NH1 ARG A 37 12.948 -4.064 10.297 1.00 31.12 N ATOM 555 NH2 ARG A 37 12.372 -2.393 11.661 1.00 42.43 N ATOM 0 H ARG A 37 9.800 -3.013 5.105 1.00 31.21 H new ATOM 0 HA ARG A 37 11.003 -4.958 6.711 1.00 2.12 H new ATOM 0 HB2 ARG A 37 8.188 -3.872 6.420 1.00 11.34 H new ATOM 0 HB3 ARG A 37 8.500 -5.195 7.526 1.00 11.34 H new ATOM 0 HG2 ARG A 37 9.806 -2.442 7.611 1.00 64.34 H new ATOM 0 HG3 ARG A 37 8.574 -3.036 8.707 1.00 64.34 H new ATOM 0 HD2 ARG A 37 10.131 -4.879 9.416 1.00 1.14 H new ATOM 0 HD3 ARG A 37 11.366 -4.215 8.365 1.00 1.14 H new ATOM 0 HE ARG A 37 10.313 -2.306 10.335 1.00 35.04 H new ATOM 0 HH11 ARG A 37 12.736 -4.680 9.512 1.00 31.12 H new ATOM 0 HH12 ARG A 37 13.840 -4.148 10.785 1.00 31.12 H new ATOM 0 HH21 ARG A 37 11.704 -1.682 11.961 1.00 42.43 H new ATOM 0 HH22 ARG A 37 13.267 -2.487 12.141 1.00 42.43 H new ATOM 569 N LEU A 38 8.700 -6.324 4.758 1.00 63.31 N ATOM 570 CA LEU A 38 8.248 -7.638 4.289 1.00 23.32 C ATOM 571 C LEU A 38 7.222 -7.518 3.150 1.00 25.41 C ATOM 572 O LEU A 38 6.119 -7.008 3.346 1.00 23.12 O ATOM 573 CB LEU A 38 7.638 -8.421 5.469 1.00 71.33 C ATOM 574 CG LEU A 38 7.343 -9.907 5.203 1.00 64.41 C ATOM 575 CD1 LEU A 38 8.627 -10.664 4.859 1.00 43.35 C ATOM 576 CD2 LEU A 38 6.643 -10.540 6.407 1.00 31.11 C ATOM 0 H LEU A 38 8.142 -5.535 4.430 1.00 63.31 H new ATOM 0 HA LEU A 38 9.112 -8.172 3.895 1.00 23.32 H new ATOM 0 HB2 LEU A 38 8.318 -8.351 6.318 1.00 71.33 H new ATOM 0 HB3 LEU A 38 6.709 -7.932 5.764 1.00 71.33 H new ATOM 0 HG LEU A 38 6.674 -9.974 4.345 1.00 64.41 H new ATOM 0 HD11 LEU A 38 8.393 -11.713 4.675 1.00 43.35 H new ATOM 0 HD12 LEU A 38 9.077 -10.230 3.966 1.00 43.35 H new ATOM 0 HD13 LEU A 38 9.327 -10.589 5.691 1.00 43.35 H new ATOM 0 HD21 LEU A 38 6.442 -11.591 6.200 1.00 31.11 H new ATOM 0 HD22 LEU A 38 7.284 -10.459 7.285 1.00 31.11 H new ATOM 0 HD23 LEU A 38 5.703 -10.022 6.595 1.00 31.11 H new ATOM 588 N GLU A 39 7.597 -7.979 1.956 1.00 61.32 N ATOM 589 CA GLU A 39 6.685 -7.998 0.801 1.00 43.03 C ATOM 590 C GLU A 39 5.926 -9.337 0.704 1.00 73.33 C ATOM 591 O GLU A 39 5.182 -9.572 -0.252 1.00 5.12 O ATOM 592 CB GLU A 39 7.469 -7.736 -0.497 1.00 23.41 C ATOM 593 CG GLU A 39 7.907 -6.283 -0.688 1.00 25.31 C ATOM 594 CD GLU A 39 6.737 -5.342 -0.952 1.00 33.45 C ATOM 595 OE1 GLU A 39 6.334 -5.198 -2.132 1.00 14.42 O ATOM 596 OE2 GLU A 39 6.203 -4.760 0.015 1.00 12.24 O ATOM 0 H GLU A 39 8.528 -8.346 1.759 1.00 61.32 H new ATOM 0 HA GLU A 39 5.949 -7.206 0.942 1.00 43.03 H new ATOM 0 HB2 GLU A 39 8.353 -8.374 -0.508 1.00 23.41 H new ATOM 0 HB3 GLU A 39 6.852 -8.031 -1.346 1.00 23.41 H new ATOM 0 HG2 GLU A 39 8.442 -5.950 0.202 1.00 25.31 H new ATOM 0 HG3 GLU A 39 8.608 -6.226 -1.521 1.00 25.31 H new ATOM 603 N GLU A 40 6.126 -10.210 1.699 1.00 72.25 N ATOM 604 CA GLU A 40 5.416 -11.498 1.770 1.00 32.30 C ATOM 605 C GLU A 40 3.898 -11.252 1.763 1.00 74.21 C ATOM 606 O GLU A 40 3.190 -11.658 0.839 1.00 13.13 O ATOM 607 CB GLU A 40 5.847 -12.259 3.043 1.00 1.13 C ATOM 608 CG GLU A 40 5.710 -13.786 2.982 1.00 21.33 C ATOM 609 CD GLU A 40 4.282 -14.296 3.120 1.00 30.34 C ATOM 610 OE1 GLU A 40 3.737 -14.257 4.243 1.00 2.04 O ATOM 611 OE2 GLU A 40 3.712 -14.771 2.116 1.00 73.21 O ATOM 0 H GLU A 40 6.775 -10.049 2.469 1.00 72.25 H new ATOM 0 HA GLU A 40 5.670 -12.107 0.903 1.00 32.30 H new ATOM 0 HB2 GLU A 40 6.887 -12.014 3.256 1.00 1.13 H new ATOM 0 HB3 GLU A 40 5.255 -11.892 3.882 1.00 1.13 H new ATOM 0 HG2 GLU A 40 6.118 -14.138 2.034 1.00 21.33 H new ATOM 0 HG3 GLU A 40 6.318 -14.225 3.773 1.00 21.33 H new ATOM 618 N ARG A 41 3.413 -10.566 2.798 1.00 1.42 N ATOM 619 CA ARG A 41 2.021 -10.106 2.852 1.00 1.12 C ATOM 620 C ARG A 41 1.967 -8.633 3.281 1.00 43.32 C ATOM 621 O ARG A 41 2.351 -8.285 4.400 1.00 74.42 O ATOM 622 CB ARG A 41 1.204 -10.976 3.817 1.00 54.41 C ATOM 623 CG ARG A 41 1.238 -12.454 3.458 1.00 13.11 C ATOM 624 CD ARG A 41 0.495 -13.317 4.465 1.00 63.22 C ATOM 625 NE ARG A 41 0.736 -14.737 4.223 1.00 73.33 N ATOM 626 CZ ARG A 41 -0.195 -15.644 4.168 1.00 35.11 C ATOM 627 NH1 ARG A 41 -1.442 -15.317 4.281 1.00 62.23 N ATOM 628 NH2 ARG A 41 0.124 -16.879 3.969 1.00 55.04 N ATOM 0 H ARG A 41 3.966 -10.314 3.617 1.00 1.42 H new ATOM 0 HA ARG A 41 1.585 -10.196 1.857 1.00 1.12 H new ATOM 0 HB2 ARG A 41 1.587 -10.845 4.829 1.00 54.41 H new ATOM 0 HB3 ARG A 41 0.170 -10.632 3.821 1.00 54.41 H new ATOM 0 HG2 ARG A 41 0.799 -12.594 2.470 1.00 13.11 H new ATOM 0 HG3 ARG A 41 2.275 -12.785 3.396 1.00 13.11 H new ATOM 0 HD2 ARG A 41 0.814 -13.058 5.475 1.00 63.22 H new ATOM 0 HD3 ARG A 41 -0.574 -13.111 4.406 1.00 63.22 H new ATOM 0 HE ARG A 41 1.701 -15.038 4.088 1.00 73.33 H new ATOM 0 HH11 ARG A 41 -1.703 -14.340 4.415 1.00 62.23 H new ATOM 0 HH12 ARG A 41 -2.164 -16.036 4.236 1.00 62.23 H new ATOM 0 HH21 ARG A 41 1.103 -17.141 3.856 1.00 55.04 H new ATOM 0 HH22 ARG A 41 -0.603 -17.593 3.925 1.00 55.04 H new ATOM 642 N HIS A 42 1.474 -7.770 2.393 1.00 42.43 N ATOM 643 CA HIS A 42 1.475 -6.319 2.632 1.00 4.20 C ATOM 644 C HIS A 42 0.584 -5.912 3.822 1.00 12.04 C ATOM 645 O HIS A 42 0.538 -4.738 4.200 1.00 35.13 O ATOM 646 CB HIS A 42 1.042 -5.585 1.359 1.00 60.43 C ATOM 647 CG HIS A 42 1.990 -5.789 0.215 1.00 51.01 C ATOM 648 ND1 HIS A 42 1.918 -6.864 -0.646 1.00 0.44 N ATOM 649 CD2 HIS A 42 3.049 -5.056 -0.198 1.00 53.31 C ATOM 650 CE1 HIS A 42 2.888 -6.782 -1.532 1.00 23.12 C ATOM 651 NE2 HIS A 42 3.587 -5.695 -1.284 1.00 33.05 N ATOM 0 H HIS A 42 1.067 -8.047 1.499 1.00 42.43 H new ATOM 0 HA HIS A 42 2.493 -6.031 2.894 1.00 4.20 H new ATOM 0 HB2 HIS A 42 0.050 -5.929 1.067 1.00 60.43 H new ATOM 0 HB3 HIS A 42 0.960 -4.519 1.571 1.00 60.43 H new ATOM 0 HD2 HIS A 42 3.404 -4.138 0.246 1.00 53.31 H new ATOM 0 HE1 HIS A 42 3.078 -7.487 -2.328 1.00 23.12 H new ATOM 0 HE2 HIS A 42 4.399 -5.379 -1.815 1.00 33.05 H new ATOM 660 N GLN A 43 -0.113 -6.882 4.411 1.00 15.44 N ATOM 661 CA GLN A 43 -0.898 -6.650 5.626 1.00 13.11 C ATOM 662 C GLN A 43 -0.013 -6.111 6.765 1.00 34.55 C ATOM 663 O GLN A 43 -0.462 -5.309 7.587 1.00 51.12 O ATOM 664 CB GLN A 43 -1.591 -7.949 6.069 1.00 41.55 C ATOM 665 CG GLN A 43 -2.496 -7.779 7.287 1.00 13.54 C ATOM 666 CD GLN A 43 -3.151 -9.078 7.727 1.00 10.05 C ATOM 667 OE1 GLN A 43 -2.617 -9.813 8.549 1.00 30.23 O ATOM 668 NE2 GLN A 43 -4.316 -9.368 7.187 1.00 21.05 N ATOM 0 H GLN A 43 -0.151 -7.841 4.066 1.00 15.44 H new ATOM 0 HA GLN A 43 -1.656 -5.900 5.398 1.00 13.11 H new ATOM 0 HB2 GLN A 43 -2.183 -8.336 5.239 1.00 41.55 H new ATOM 0 HB3 GLN A 43 -0.831 -8.697 6.294 1.00 41.55 H new ATOM 0 HG2 GLN A 43 -1.911 -7.375 8.114 1.00 13.54 H new ATOM 0 HG3 GLN A 43 -3.271 -7.047 7.058 1.00 13.54 H new ATOM 0 HE21 GLN A 43 -4.734 -8.735 6.505 1.00 21.05 H new ATOM 0 HE22 GLN A 43 -4.801 -10.226 7.450 1.00 21.05 H new ATOM 677 N VAL A 44 1.249 -6.553 6.807 1.00 44.23 N ATOM 678 CA VAL A 44 2.203 -6.055 7.806 1.00 60.53 C ATOM 679 C VAL A 44 2.386 -4.531 7.684 1.00 32.33 C ATOM 680 O VAL A 44 2.381 -3.810 8.683 1.00 64.32 O ATOM 681 CB VAL A 44 3.581 -6.763 7.693 1.00 3.43 C ATOM 682 CG1 VAL A 44 3.438 -8.259 7.970 1.00 33.43 C ATOM 683 CG2 VAL A 44 4.221 -6.524 6.325 1.00 30.32 C ATOM 0 H VAL A 44 1.632 -7.249 6.167 1.00 44.23 H new ATOM 0 HA VAL A 44 1.784 -6.284 8.786 1.00 60.53 H new ATOM 0 HB VAL A 44 4.241 -6.332 8.446 1.00 3.43 H new ATOM 0 HG11 VAL A 44 4.413 -8.739 7.887 1.00 33.43 H new ATOM 0 HG12 VAL A 44 3.046 -8.407 8.976 1.00 33.43 H new ATOM 0 HG13 VAL A 44 2.753 -8.699 7.245 1.00 33.43 H new ATOM 0 HG21 VAL A 44 5.184 -7.033 6.280 1.00 30.32 H new ATOM 0 HG22 VAL A 44 3.567 -6.914 5.544 1.00 30.32 H new ATOM 0 HG23 VAL A 44 4.369 -5.455 6.174 1.00 30.32 H new ATOM 693 N ILE A 45 2.527 -4.051 6.446 1.00 15.24 N ATOM 694 CA ILE A 45 2.602 -2.615 6.167 1.00 22.12 C ATOM 695 C ILE A 45 1.307 -1.926 6.607 1.00 15.13 C ATOM 696 O ILE A 45 1.325 -0.970 7.379 1.00 34.14 O ATOM 697 CB ILE A 45 2.827 -2.346 4.654 1.00 1.52 C ATOM 698 CG1 ILE A 45 4.075 -3.088 4.150 1.00 45.43 C ATOM 699 CG2 ILE A 45 2.944 -0.845 4.378 1.00 64.12 C ATOM 700 CD1 ILE A 45 4.313 -2.935 2.661 1.00 74.44 C ATOM 0 H ILE A 45 2.592 -4.640 5.616 1.00 15.24 H new ATOM 0 HA ILE A 45 3.448 -2.213 6.725 1.00 22.12 H new ATOM 0 HB ILE A 45 1.961 -2.724 4.111 1.00 1.52 H new ATOM 0 HG12 ILE A 45 4.948 -2.720 4.689 1.00 45.43 H new ATOM 0 HG13 ILE A 45 3.978 -4.148 4.387 1.00 45.43 H new ATOM 0 HG21 ILE A 45 3.101 -0.682 3.312 1.00 64.12 H new ATOM 0 HG22 ILE A 45 2.027 -0.345 4.690 1.00 64.12 H new ATOM 0 HG23 ILE A 45 3.787 -0.437 4.935 1.00 64.12 H new ATOM 0 HD11 ILE A 45 5.210 -3.485 2.378 1.00 74.44 H new ATOM 0 HD12 ILE A 45 3.457 -3.330 2.113 1.00 74.44 H new ATOM 0 HD13 ILE A 45 4.443 -1.880 2.420 1.00 74.44 H new ATOM 712 N ARG A 46 0.189 -2.457 6.118 1.00 63.43 N ATOM 713 CA ARG A 46 -1.155 -1.960 6.451 1.00 42.32 C ATOM 714 C ARG A 46 -1.331 -1.722 7.964 1.00 1.43 C ATOM 715 O ARG A 46 -1.809 -0.669 8.391 1.00 12.40 O ATOM 716 CB ARG A 46 -2.191 -2.986 5.968 1.00 65.20 C ATOM 717 CG ARG A 46 -3.647 -2.603 6.223 1.00 21.34 C ATOM 718 CD ARG A 46 -4.580 -3.780 5.950 1.00 54.12 C ATOM 719 NE ARG A 46 -5.989 -3.401 5.991 1.00 1.35 N ATOM 720 CZ ARG A 46 -6.931 -4.119 6.534 1.00 11.34 C ATOM 721 NH1 ARG A 46 -6.647 -5.173 7.228 1.00 33.51 N ATOM 722 NH2 ARG A 46 -8.162 -3.753 6.413 1.00 34.01 N ATOM 0 H ARG A 46 0.184 -3.249 5.475 1.00 63.43 H new ATOM 0 HA ARG A 46 -1.296 -1.000 5.954 1.00 42.32 H new ATOM 0 HB2 ARG A 46 -2.054 -3.142 4.898 1.00 65.20 H new ATOM 0 HB3 ARG A 46 -1.991 -3.939 6.457 1.00 65.20 H new ATOM 0 HG2 ARG A 46 -3.764 -2.274 7.255 1.00 21.34 H new ATOM 0 HG3 ARG A 46 -3.922 -1.762 5.587 1.00 21.34 H new ATOM 0 HD2 ARG A 46 -4.350 -4.202 4.972 1.00 54.12 H new ATOM 0 HD3 ARG A 46 -4.397 -4.563 6.686 1.00 54.12 H new ATOM 0 HE ARG A 46 -6.254 -2.513 5.565 1.00 1.35 H new ATOM 0 HH11 ARG A 46 -5.674 -5.452 7.356 1.00 33.51 H new ATOM 0 HH12 ARG A 46 -7.396 -5.725 7.647 1.00 33.51 H new ATOM 0 HH21 ARG A 46 -8.394 -2.906 5.894 1.00 34.01 H new ATOM 0 HH22 ARG A 46 -8.904 -4.311 6.836 1.00 34.01 H new ATOM 736 N ALA A 47 -0.943 -2.708 8.764 1.00 74.01 N ATOM 737 CA ALA A 47 -1.112 -2.643 10.219 1.00 32.24 C ATOM 738 C ALA A 47 -0.176 -1.617 10.880 1.00 73.12 C ATOM 739 O ALA A 47 -0.605 -0.825 11.725 1.00 54.34 O ATOM 740 CB ALA A 47 -0.891 -4.023 10.829 1.00 53.31 C ATOM 0 H ALA A 47 -0.507 -3.568 8.432 1.00 74.01 H new ATOM 0 HA ALA A 47 -2.133 -2.311 10.410 1.00 32.24 H new ATOM 0 HB1 ALA A 47 -1.018 -3.967 11.910 1.00 53.31 H new ATOM 0 HB2 ALA A 47 -1.615 -4.724 10.414 1.00 53.31 H new ATOM 0 HB3 ALA A 47 0.118 -4.365 10.599 1.00 53.31 H new ATOM 746 N TYR A 48 1.098 -1.628 10.495 1.00 64.35 N ATOM 747 CA TYR A 48 2.110 -0.795 11.159 1.00 24.44 C ATOM 748 C TYR A 48 2.083 0.676 10.705 1.00 31.45 C ATOM 749 O TYR A 48 2.452 1.563 11.475 1.00 73.24 O ATOM 750 CB TYR A 48 3.507 -1.401 10.973 1.00 55.12 C ATOM 751 CG TYR A 48 3.683 -2.717 11.717 1.00 4.42 C ATOM 752 CD1 TYR A 48 3.378 -2.804 13.073 1.00 40.12 C ATOM 753 CD2 TYR A 48 4.132 -3.867 11.072 1.00 43.01 C ATOM 754 CE1 TYR A 48 3.522 -3.992 13.763 1.00 25.31 C ATOM 755 CE2 TYR A 48 4.276 -5.060 11.757 1.00 64.41 C ATOM 756 CZ TYR A 48 3.967 -5.116 13.102 1.00 33.02 C ATOM 757 OH TYR A 48 4.104 -6.303 13.790 1.00 45.23 O ATOM 0 H TYR A 48 1.458 -2.200 9.731 1.00 64.35 H new ATOM 0 HA TYR A 48 1.860 -0.787 12.220 1.00 24.44 H new ATOM 0 HB2 TYR A 48 3.689 -1.562 9.911 1.00 55.12 H new ATOM 0 HB3 TYR A 48 4.256 -0.689 11.321 1.00 55.12 H new ATOM 0 HD1 TYR A 48 3.023 -1.927 13.594 1.00 40.12 H new ATOM 0 HD2 TYR A 48 4.372 -3.827 10.020 1.00 43.01 H new ATOM 0 HE1 TYR A 48 3.287 -4.040 14.816 1.00 25.31 H new ATOM 0 HE2 TYR A 48 4.628 -5.942 11.243 1.00 64.41 H new ATOM 0 HH TYR A 48 4.427 -6.999 13.180 1.00 45.23 H new ATOM 767 N VAL A 49 1.641 0.952 9.477 1.00 54.40 N ATOM 768 CA VAL A 49 1.539 2.345 9.007 1.00 13.42 C ATOM 769 C VAL A 49 0.520 3.145 9.834 1.00 51.43 C ATOM 770 O VAL A 49 0.690 4.343 10.051 1.00 61.01 O ATOM 771 CB VAL A 49 1.171 2.451 7.504 1.00 30.40 C ATOM 772 CG1 VAL A 49 2.278 1.858 6.634 1.00 12.24 C ATOM 773 CG2 VAL A 49 -0.176 1.788 7.216 1.00 43.22 C ATOM 0 H VAL A 49 1.352 0.249 8.797 1.00 54.40 H new ATOM 0 HA VAL A 49 2.533 2.771 9.141 1.00 13.42 H new ATOM 0 HB VAL A 49 1.075 3.507 7.253 1.00 30.40 H new ATOM 0 HG11 VAL A 49 2.000 1.942 5.583 1.00 12.24 H new ATOM 0 HG12 VAL A 49 3.207 2.400 6.808 1.00 12.24 H new ATOM 0 HG13 VAL A 49 2.418 0.807 6.889 1.00 12.24 H new ATOM 0 HG21 VAL A 49 -0.407 1.879 6.155 1.00 43.22 H new ATOM 0 HG22 VAL A 49 -0.128 0.734 7.488 1.00 43.22 H new ATOM 0 HG23 VAL A 49 -0.955 2.278 7.800 1.00 43.22 H new ATOM 783 N MET A 50 -0.522 2.466 10.311 1.00 14.53 N ATOM 784 CA MET A 50 -1.543 3.101 11.154 1.00 14.43 C ATOM 785 C MET A 50 -1.024 3.343 12.583 1.00 62.54 C ATOM 786 O MET A 50 -1.655 4.040 13.379 1.00 24.55 O ATOM 787 CB MET A 50 -2.803 2.226 11.200 1.00 32.13 C ATOM 788 CG MET A 50 -3.422 1.964 9.832 1.00 63.43 C ATOM 789 SD MET A 50 -4.936 0.987 9.926 1.00 40.13 S ATOM 790 CE MET A 50 -4.328 -0.531 10.661 1.00 61.33 C ATOM 0 H MET A 50 -0.685 1.475 10.130 1.00 14.53 H new ATOM 0 HA MET A 50 -1.785 4.069 10.714 1.00 14.43 H new ATOM 0 HB2 MET A 50 -2.554 1.272 11.664 1.00 32.13 H new ATOM 0 HB3 MET A 50 -3.545 2.707 11.838 1.00 32.13 H new ATOM 0 HG2 MET A 50 -3.639 2.916 9.348 1.00 63.43 H new ATOM 0 HG3 MET A 50 -2.698 1.445 9.204 1.00 63.43 H new ATOM 0 HE1 MET A 50 -4.686 -1.384 10.084 1.00 61.33 H new ATOM 0 HE2 MET A 50 -3.238 -0.524 10.660 1.00 61.33 H new ATOM 0 HE3 MET A 50 -4.690 -0.609 11.686 1.00 61.33 H new ATOM 800 N SER A 51 0.126 2.750 12.899 1.00 23.43 N ATOM 801 CA SER A 51 0.738 2.875 14.229 1.00 33.53 C ATOM 802 C SER A 51 1.896 3.883 14.227 1.00 44.32 C ATOM 803 O SER A 51 1.930 4.811 15.038 1.00 33.44 O ATOM 804 CB SER A 51 1.258 1.506 14.697 1.00 11.12 C ATOM 805 OG SER A 51 1.860 1.585 15.982 1.00 62.51 O ATOM 0 H SER A 51 0.660 2.173 12.249 1.00 23.43 H new ATOM 0 HA SER A 51 -0.030 3.237 14.913 1.00 33.53 H new ATOM 0 HB2 SER A 51 0.434 0.793 14.724 1.00 11.12 H new ATOM 0 HB3 SER A 51 1.984 1.127 13.978 1.00 11.12 H new ATOM 0 HG SER A 51 2.178 0.697 16.249 1.00 62.51 H new ATOM 811 N ASN A 52 2.835 3.693 13.304 1.00 51.01 N ATOM 812 CA ASN A 52 4.057 4.506 13.242 1.00 3.31 C ATOM 813 C ASN A 52 3.805 5.902 12.643 1.00 64.30 C ATOM 814 O ASN A 52 4.243 6.914 13.194 1.00 72.22 O ATOM 815 CB ASN A 52 5.121 3.777 12.410 1.00 35.12 C ATOM 816 CG ASN A 52 5.407 2.376 12.928 1.00 20.41 C ATOM 817 OD1 ASN A 52 5.308 2.108 14.118 1.00 23.33 O ATOM 818 ND2 ASN A 52 5.765 1.471 12.039 1.00 11.43 N ATOM 0 H ASN A 52 2.776 2.977 12.580 1.00 51.01 H new ATOM 0 HA ASN A 52 4.405 4.646 14.265 1.00 3.31 H new ATOM 0 HB2 ASN A 52 4.789 3.717 11.374 1.00 35.12 H new ATOM 0 HB3 ASN A 52 6.043 4.358 12.416 1.00 35.12 H new ATOM 0 HD21 ASN A 52 5.968 0.517 12.336 1.00 11.43 H new ATOM 0 HD22 ASN A 52 5.839 1.725 11.054 1.00 11.43 H new ATOM 825 N TYR A 53 3.099 5.950 11.514 1.00 45.42 N ATOM 826 CA TYR A 53 2.913 7.205 10.771 1.00 23.02 C ATOM 827 C TYR A 53 1.785 8.069 11.354 1.00 53.12 C ATOM 828 O TYR A 53 0.893 7.576 12.045 1.00 20.32 O ATOM 829 CB TYR A 53 2.648 6.909 9.290 1.00 1.02 C ATOM 830 CG TYR A 53 3.843 6.289 8.586 1.00 45.43 C ATOM 831 CD1 TYR A 53 4.810 7.089 7.983 1.00 55.14 C ATOM 832 CD2 TYR A 53 4.014 4.909 8.533 1.00 2.14 C ATOM 833 CE1 TYR A 53 5.905 6.534 7.352 1.00 32.15 C ATOM 834 CE2 TYR A 53 5.109 4.347 7.901 1.00 3.11 C ATOM 835 CZ TYR A 53 6.051 5.165 7.313 1.00 3.11 C ATOM 836 OH TYR A 53 7.146 4.614 6.686 1.00 51.34 O ATOM 0 H TYR A 53 2.646 5.140 11.091 1.00 45.42 H new ATOM 0 HA TYR A 53 3.836 7.777 10.867 1.00 23.02 H new ATOM 0 HB2 TYR A 53 1.795 6.236 9.207 1.00 1.02 H new ATOM 0 HB3 TYR A 53 2.375 7.835 8.783 1.00 1.02 H new ATOM 0 HD1 TYR A 53 4.701 8.163 8.009 1.00 55.14 H new ATOM 0 HD2 TYR A 53 3.279 4.265 8.993 1.00 2.14 H new ATOM 0 HE1 TYR A 53 6.645 7.171 6.890 1.00 32.15 H new ATOM 0 HE2 TYR A 53 5.225 3.274 7.868 1.00 3.11 H new ATOM 0 HH TYR A 53 7.101 3.637 6.748 1.00 51.34 H new ATOM 846 N THR A 54 1.841 9.367 11.067 1.00 32.43 N ATOM 847 CA THR A 54 0.862 10.333 11.586 1.00 23.34 C ATOM 848 C THR A 54 -0.111 10.820 10.496 1.00 75.44 C ATOM 849 O THR A 54 -1.327 10.628 10.601 1.00 34.11 O ATOM 850 CB THR A 54 1.577 11.557 12.199 1.00 52.45 C ATOM 851 OG1 THR A 54 2.410 12.181 11.207 1.00 33.05 O ATOM 852 CG2 THR A 54 2.430 11.147 13.400 1.00 0.52 C ATOM 0 H THR A 54 2.559 9.782 10.473 1.00 32.43 H new ATOM 0 HA THR A 54 0.288 9.812 12.352 1.00 23.34 H new ATOM 0 HB THR A 54 0.818 12.262 12.538 1.00 52.45 H new ATOM 0 HG1 THR A 54 2.860 12.958 11.600 1.00 33.05 H new ATOM 0 HG21 THR A 54 2.923 12.027 13.814 1.00 0.52 H new ATOM 0 HG22 THR A 54 1.794 10.696 14.161 1.00 0.52 H new ATOM 0 HG23 THR A 54 3.183 10.425 13.082 1.00 0.52 H new ATOM 860 N ASP A 55 0.430 11.467 9.464 1.00 55.15 N ATOM 861 CA ASP A 55 -0.372 11.964 8.334 1.00 12.12 C ATOM 862 C ASP A 55 -1.191 10.845 7.663 1.00 53.23 C ATOM 863 O ASP A 55 -0.642 9.812 7.272 1.00 65.21 O ATOM 864 CB ASP A 55 0.545 12.606 7.284 1.00 4.32 C ATOM 865 CG ASP A 55 1.353 13.761 7.839 1.00 73.23 C ATOM 866 OD1 ASP A 55 2.439 13.521 8.406 1.00 75.24 O ATOM 867 OD2 ASP A 55 0.908 14.922 7.703 1.00 70.43 O ATOM 0 H ASP A 55 1.428 11.663 9.383 1.00 55.15 H new ATOM 0 HA ASP A 55 -1.068 12.700 8.735 1.00 12.12 H new ATOM 0 HB2 ASP A 55 1.224 11.850 6.890 1.00 4.32 H new ATOM 0 HB3 ASP A 55 -0.059 12.959 6.448 1.00 4.32 H new ATOM 872 N HIS A 56 -2.500 11.057 7.504 1.00 62.44 N ATOM 873 CA HIS A 56 -3.345 10.111 6.761 1.00 23.40 C ATOM 874 C HIS A 56 -2.947 10.072 5.277 1.00 1.32 C ATOM 875 O HIS A 56 -3.178 9.077 4.592 1.00 10.01 O ATOM 876 CB HIS A 56 -4.835 10.457 6.906 1.00 31.21 C ATOM 877 CG HIS A 56 -5.380 10.194 8.278 1.00 54.14 C ATOM 878 ND1 HIS A 56 -5.995 11.157 9.044 1.00 22.21 N ATOM 879 CD2 HIS A 56 -5.422 9.056 9.013 1.00 22.43 C ATOM 880 CE1 HIS A 56 -6.389 10.631 10.184 1.00 73.31 C ATOM 881 NE2 HIS A 56 -6.055 9.357 10.193 1.00 42.41 N ATOM 0 H HIS A 56 -2.997 11.867 7.875 1.00 62.44 H new ATOM 0 HA HIS A 56 -3.186 9.122 7.190 1.00 23.40 H new ATOM 0 HB2 HIS A 56 -4.981 11.509 6.661 1.00 31.21 H new ATOM 0 HB3 HIS A 56 -5.406 9.879 6.180 1.00 31.21 H new ATOM 0 HD2 HIS A 56 -5.030 8.092 8.724 1.00 22.43 H new ATOM 0 HE1 HIS A 56 -6.900 11.155 10.978 1.00 73.31 H new ATOM 0 HE2 HIS A 56 -6.237 8.701 10.953 1.00 42.41 H new ATOM 890 N GLN A 57 -2.338 11.159 4.796 1.00 5.22 N ATOM 891 CA GLN A 57 -1.750 11.188 3.448 1.00 71.24 C ATOM 892 C GLN A 57 -0.691 10.085 3.290 1.00 22.45 C ATOM 893 O GLN A 57 -0.329 9.700 2.179 1.00 54.24 O ATOM 894 CB GLN A 57 -1.124 12.563 3.166 1.00 73.41 C ATOM 895 CG GLN A 57 -2.122 13.717 3.221 1.00 33.13 C ATOM 896 CD GLN A 57 -3.195 13.628 2.146 1.00 31.33 C ATOM 897 OE1 GLN A 57 -2.952 14.245 1.007 1.00 71.23 O flip ATOM 898 NE2 GLN A 57 -4.241 13.018 2.337 1.00 54.31 N flip ATOM 0 H GLN A 57 -2.238 12.031 5.316 1.00 5.22 H new ATOM 0 HA GLN A 57 -2.547 11.008 2.727 1.00 71.24 H new ATOM 0 HB2 GLN A 57 -0.331 12.746 3.891 1.00 73.41 H new ATOM 0 HB3 GLN A 57 -0.658 12.545 2.181 1.00 73.41 H new ATOM 0 HG2 GLN A 57 -2.598 13.732 4.201 1.00 33.13 H new ATOM 0 HG3 GLN A 57 -1.585 14.660 3.113 1.00 33.13 H new ATOM 0 HE21 GLN A 57 -4.403 12.549 3.228 1.00 54.31 H new ATOM 0 HE22 GLN A 57 -4.950 12.979 1.604 1.00 54.31 H new ATOM 907 N LEU A 58 -0.182 9.603 4.424 1.00 73.24 N ATOM 908 CA LEU A 58 0.700 8.433 4.460 1.00 0.05 C ATOM 909 C LEU A 58 -0.095 7.175 4.854 1.00 24.22 C ATOM 910 O LEU A 58 -0.116 6.183 4.129 1.00 22.03 O ATOM 911 CB LEU A 58 1.844 8.664 5.462 1.00 51.11 C ATOM 912 CG LEU A 58 2.718 9.903 5.192 1.00 30.51 C ATOM 913 CD1 LEU A 58 3.737 10.103 6.310 1.00 23.13 C ATOM 914 CD2 LEU A 58 3.417 9.786 3.839 1.00 31.01 C ATOM 0 H LEU A 58 -0.368 10.010 5.341 1.00 73.24 H new ATOM 0 HA LEU A 58 1.122 8.285 3.466 1.00 0.05 H new ATOM 0 HB2 LEU A 58 1.417 8.752 6.461 1.00 51.11 H new ATOM 0 HB3 LEU A 58 2.485 7.782 5.466 1.00 51.11 H new ATOM 0 HG LEU A 58 2.068 10.777 5.166 1.00 30.51 H new ATOM 0 HD11 LEU A 58 4.343 10.984 6.097 1.00 23.13 H new ATOM 0 HD12 LEU A 58 3.216 10.241 7.257 1.00 23.13 H new ATOM 0 HD13 LEU A 58 4.382 9.227 6.376 1.00 23.13 H new ATOM 0 HD21 LEU A 58 4.029 10.671 3.668 1.00 31.01 H new ATOM 0 HD22 LEU A 58 4.051 8.900 3.833 1.00 31.01 H new ATOM 0 HD23 LEU A 58 2.670 9.703 3.050 1.00 31.01 H new ATOM 926 N ILE A 59 -0.763 7.244 6.007 1.00 62.52 N ATOM 927 CA ILE A 59 -1.534 6.115 6.548 1.00 52.42 C ATOM 928 C ILE A 59 -2.635 5.635 5.586 1.00 5.02 C ATOM 929 O ILE A 59 -2.582 4.512 5.076 1.00 12.21 O ATOM 930 CB ILE A 59 -2.198 6.488 7.898 1.00 54.44 C ATOM 931 CG1 ILE A 59 -1.145 6.957 8.911 1.00 13.33 C ATOM 932 CG2 ILE A 59 -2.990 5.305 8.457 1.00 34.44 C ATOM 933 CD1 ILE A 59 -1.731 7.387 10.240 1.00 53.22 C ATOM 0 H ILE A 59 -0.787 8.079 6.593 1.00 62.52 H new ATOM 0 HA ILE A 59 -0.816 5.307 6.690 1.00 52.42 H new ATOM 0 HB ILE A 59 -2.891 7.310 7.719 1.00 54.44 H new ATOM 0 HG12 ILE A 59 -0.432 6.150 9.082 1.00 13.33 H new ATOM 0 HG13 ILE A 59 -0.587 7.790 8.483 1.00 13.33 H new ATOM 0 HG21 ILE A 59 -3.448 5.589 9.405 1.00 34.44 H new ATOM 0 HG22 ILE A 59 -3.768 5.021 7.749 1.00 34.44 H new ATOM 0 HG23 ILE A 59 -2.319 4.461 8.616 1.00 34.44 H new ATOM 0 HD11 ILE A 59 -0.929 7.705 10.905 1.00 53.22 H new ATOM 0 HD12 ILE A 59 -2.422 8.215 10.082 1.00 53.22 H new ATOM 0 HD13 ILE A 59 -2.265 6.550 10.690 1.00 53.22 H new ATOM 945 N GLU A 60 -3.629 6.494 5.338 1.00 2.00 N ATOM 946 CA GLU A 60 -4.805 6.108 4.549 1.00 53.40 C ATOM 947 C GLU A 60 -4.434 5.796 3.097 1.00 75.31 C ATOM 948 O GLU A 60 -4.949 4.844 2.514 1.00 1.43 O ATOM 949 CB GLU A 60 -5.888 7.198 4.607 1.00 11.42 C ATOM 950 CG GLU A 60 -7.201 6.787 3.939 1.00 33.41 C ATOM 951 CD GLU A 60 -8.325 7.788 4.165 1.00 0.20 C ATOM 952 OE1 GLU A 60 -8.957 7.746 5.243 1.00 44.31 O ATOM 953 OE2 GLU A 60 -8.589 8.612 3.267 1.00 74.40 O ATOM 0 H GLU A 60 -3.644 7.458 5.671 1.00 2.00 H new ATOM 0 HA GLU A 60 -5.207 5.197 4.992 1.00 53.40 H new ATOM 0 HB2 GLU A 60 -6.083 7.451 5.649 1.00 11.42 H new ATOM 0 HB3 GLU A 60 -5.511 8.100 4.125 1.00 11.42 H new ATOM 0 HG2 GLU A 60 -7.036 6.671 2.868 1.00 33.41 H new ATOM 0 HG3 GLU A 60 -7.507 5.813 4.322 1.00 33.41 H new ATOM 960 N THR A 61 -3.535 6.590 2.519 1.00 51.01 N ATOM 961 CA THR A 61 -3.039 6.333 1.162 1.00 41.52 C ATOM 962 C THR A 61 -2.470 4.910 1.044 1.00 40.30 C ATOM 963 O THR A 61 -2.720 4.214 0.058 1.00 62.31 O ATOM 964 CB THR A 61 -1.948 7.350 0.746 1.00 31.32 C ATOM 965 OG1 THR A 61 -2.465 8.686 0.828 1.00 54.14 O ATOM 966 CG2 THR A 61 -1.453 7.090 -0.675 1.00 62.01 C ATOM 0 H THR A 61 -3.134 7.415 2.965 1.00 51.01 H new ATOM 0 HA THR A 61 -3.892 6.442 0.492 1.00 41.52 H new ATOM 0 HB THR A 61 -1.109 7.232 1.431 1.00 31.32 H new ATOM 0 HG1 THR A 61 -1.781 9.279 1.203 1.00 54.14 H new ATOM 0 HG21 THR A 61 -0.688 7.822 -0.934 1.00 62.01 H new ATOM 0 HG22 THR A 61 -1.030 6.087 -0.735 1.00 62.01 H new ATOM 0 HG23 THR A 61 -2.287 7.175 -1.372 1.00 62.01 H new ATOM 974 N THR A 62 -1.725 4.476 2.064 1.00 35.43 N ATOM 975 CA THR A 62 -1.145 3.123 2.078 1.00 52.20 C ATOM 976 C THR A 62 -2.229 2.039 2.077 1.00 4.15 C ATOM 977 O THR A 62 -2.333 1.262 1.127 1.00 72.23 O ATOM 978 CB THR A 62 -0.214 2.896 3.299 1.00 31.41 C ATOM 979 OG1 THR A 62 0.929 3.756 3.219 1.00 33.34 O ATOM 980 CG2 THR A 62 0.253 1.443 3.385 1.00 43.51 C ATOM 0 H THR A 62 -1.508 5.036 2.889 1.00 35.43 H new ATOM 0 HA THR A 62 -0.555 3.046 1.165 1.00 52.20 H new ATOM 0 HB THR A 62 -0.788 3.129 4.196 1.00 31.41 H new ATOM 0 HG1 THR A 62 0.687 4.652 3.532 1.00 33.34 H new ATOM 0 HG21 THR A 62 0.903 1.320 4.251 1.00 43.51 H new ATOM 0 HG22 THR A 62 -0.612 0.788 3.485 1.00 43.51 H new ATOM 0 HG23 THR A 62 0.802 1.183 2.480 1.00 43.51 H new ATOM 988 N ASN A 63 -3.050 1.989 3.130 1.00 62.15 N ATOM 989 CA ASN A 63 -4.059 0.927 3.254 1.00 75.34 C ATOM 990 C ASN A 63 -5.103 1.005 2.127 1.00 74.33 C ATOM 991 O ASN A 63 -5.656 -0.015 1.710 1.00 63.23 O ATOM 992 CB ASN A 63 -4.745 0.955 4.628 1.00 2.23 C ATOM 993 CG ASN A 63 -5.487 2.248 4.908 1.00 75.14 C ATOM 994 OD1 ASN A 63 -4.867 3.148 5.642 1.00 23.31 O flip ATOM 995 ND2 ASN A 63 -6.621 2.428 4.480 1.00 71.31 N flip ATOM 0 H ASN A 63 -3.039 2.659 3.899 1.00 62.15 H new ATOM 0 HA ASN A 63 -3.532 -0.023 3.161 1.00 75.34 H new ATOM 0 HB2 ASN A 63 -5.445 0.122 4.693 1.00 2.23 H new ATOM 0 HB3 ASN A 63 -3.994 0.801 5.403 1.00 2.23 H new ATOM 0 HD21 ASN A 63 -7.072 1.710 3.914 1.00 71.31 H new ATOM 0 HD22 ASN A 63 -7.113 3.296 4.690 1.00 71.31 H new ATOM 1002 N ARG A 64 -5.367 2.216 1.633 1.00 71.23 N ATOM 1003 CA ARG A 64 -6.251 2.398 0.475 1.00 31.23 C ATOM 1004 C ARG A 64 -5.646 1.730 -0.768 1.00 72.51 C ATOM 1005 O ARG A 64 -6.309 0.954 -1.460 1.00 74.52 O ATOM 1006 CB ARG A 64 -6.484 3.892 0.199 1.00 55.45 C ATOM 1007 CG ARG A 64 -7.447 4.166 -0.955 1.00 13.23 C ATOM 1008 CD ARG A 64 -7.492 5.648 -1.328 1.00 12.02 C ATOM 1009 NE ARG A 64 -7.958 6.496 -0.229 1.00 31.22 N ATOM 1010 CZ ARG A 64 -8.686 7.573 -0.395 1.00 34.42 C ATOM 1011 NH1 ARG A 64 -9.061 7.940 -1.580 1.00 54.14 N ATOM 1012 NH2 ARG A 64 -9.028 8.289 0.624 1.00 5.13 N ATOM 0 H ARG A 64 -4.985 3.082 2.013 1.00 71.23 H new ATOM 0 HA ARG A 64 -7.209 1.930 0.702 1.00 31.23 H new ATOM 0 HB2 ARG A 64 -6.872 4.362 1.103 1.00 55.45 H new ATOM 0 HB3 ARG A 64 -5.526 4.365 -0.020 1.00 55.45 H new ATOM 0 HG2 ARG A 64 -7.145 3.583 -1.825 1.00 13.23 H new ATOM 0 HG3 ARG A 64 -8.447 3.832 -0.679 1.00 13.23 H new ATOM 0 HD2 ARG A 64 -6.497 5.971 -1.634 1.00 12.02 H new ATOM 0 HD3 ARG A 64 -8.149 5.782 -2.188 1.00 12.02 H new ATOM 0 HE ARG A 64 -7.701 6.233 0.722 1.00 31.22 H new ATOM 0 HH11 ARG A 64 -8.790 7.389 -2.394 1.00 54.14 H new ATOM 0 HH12 ARG A 64 -9.628 8.780 -1.698 1.00 54.14 H new ATOM 0 HH21 ARG A 64 -8.731 8.017 1.561 1.00 5.13 H new ATOM 0 HH22 ARG A 64 -9.595 9.127 0.492 1.00 5.13 H new ATOM 1026 N ALA A 65 -4.375 2.036 -1.038 1.00 23.32 N ATOM 1027 CA ALA A 65 -3.648 1.426 -2.153 1.00 23.13 C ATOM 1028 C ALA A 65 -3.591 -0.101 -2.006 1.00 74.20 C ATOM 1029 O ALA A 65 -3.775 -0.833 -2.975 1.00 23.31 O ATOM 1030 CB ALA A 65 -2.239 2.007 -2.249 1.00 25.24 C ATOM 0 H ALA A 65 -3.827 2.705 -0.497 1.00 23.32 H new ATOM 0 HA ALA A 65 -4.185 1.655 -3.074 1.00 23.13 H new ATOM 0 HB1 ALA A 65 -1.711 1.544 -3.082 1.00 25.24 H new ATOM 0 HB2 ALA A 65 -2.299 3.083 -2.411 1.00 25.24 H new ATOM 0 HB3 ALA A 65 -1.700 1.809 -1.323 1.00 25.24 H new ATOM 1036 N ILE A 66 -3.349 -0.571 -0.782 1.00 50.42 N ATOM 1037 CA ILE A 66 -3.326 -2.009 -0.487 1.00 21.22 C ATOM 1038 C ILE A 66 -4.710 -2.646 -0.697 1.00 21.05 C ATOM 1039 O ILE A 66 -4.815 -3.781 -1.157 1.00 13.14 O ATOM 1040 CB ILE A 66 -2.841 -2.287 0.963 1.00 63.41 C ATOM 1041 CG1 ILE A 66 -1.407 -1.763 1.159 1.00 3.23 C ATOM 1042 CG2 ILE A 66 -2.917 -3.781 1.297 1.00 74.15 C ATOM 1043 CD1 ILE A 66 -0.391 -2.397 0.231 1.00 65.04 C ATOM 0 H ILE A 66 -3.165 0.024 0.026 1.00 50.42 H new ATOM 0 HA ILE A 66 -2.620 -2.461 -1.184 1.00 21.22 H new ATOM 0 HB ILE A 66 -3.504 -1.757 1.647 1.00 63.41 H new ATOM 0 HG12 ILE A 66 -1.401 -0.684 1.006 1.00 3.23 H new ATOM 0 HG13 ILE A 66 -1.103 -1.941 2.191 1.00 3.23 H new ATOM 0 HG21 ILE A 66 -2.571 -3.944 2.318 1.00 74.15 H new ATOM 0 HG22 ILE A 66 -3.948 -4.123 1.204 1.00 74.15 H new ATOM 0 HG23 ILE A 66 -2.286 -4.341 0.607 1.00 74.15 H new ATOM 0 HD11 ILE A 66 0.595 -1.977 0.429 1.00 65.04 H new ATOM 0 HD12 ILE A 66 -0.367 -3.474 0.399 1.00 65.04 H new ATOM 0 HD13 ILE A 66 -0.669 -2.197 -0.804 1.00 65.04 H new ATOM 1055 N SER A 67 -5.771 -1.907 -0.365 1.00 71.00 N ATOM 1056 CA SER A 67 -7.147 -2.389 -0.576 1.00 20.03 C ATOM 1057 C SER A 67 -7.441 -2.588 -2.065 1.00 52.41 C ATOM 1058 O SER A 67 -7.918 -3.645 -2.475 1.00 12.10 O ATOM 1059 CB SER A 67 -8.175 -1.421 0.038 1.00 13.41 C ATOM 1060 OG SER A 67 -8.077 -1.399 1.456 1.00 14.43 O ATOM 0 H SER A 67 -5.710 -0.977 0.049 1.00 71.00 H new ATOM 0 HA SER A 67 -7.234 -3.352 -0.074 1.00 20.03 H new ATOM 0 HB2 SER A 67 -8.014 -0.418 -0.356 1.00 13.41 H new ATOM 0 HB3 SER A 67 -9.181 -1.721 -0.255 1.00 13.41 H new ATOM 0 HG SER A 67 -7.255 -0.935 1.720 1.00 14.43 H new ATOM 1066 N LEU A 68 -7.146 -1.573 -2.877 1.00 63.14 N ATOM 1067 CA LEU A 68 -7.307 -1.680 -4.334 1.00 42.23 C ATOM 1068 C LEU A 68 -6.319 -2.701 -4.928 1.00 43.40 C ATOM 1069 O LEU A 68 -6.645 -3.411 -5.879 1.00 42.32 O ATOM 1070 CB LEU A 68 -7.135 -0.305 -5.011 1.00 44.44 C ATOM 1071 CG LEU A 68 -8.345 0.651 -4.913 1.00 32.45 C ATOM 1072 CD1 LEU A 68 -9.582 0.028 -5.561 1.00 44.21 C ATOM 1073 CD2 LEU A 68 -8.631 1.041 -3.462 1.00 20.14 C ATOM 0 H LEU A 68 -6.796 -0.670 -2.557 1.00 63.14 H new ATOM 0 HA LEU A 68 -8.319 -2.034 -4.530 1.00 42.23 H new ATOM 0 HB2 LEU A 68 -6.269 0.189 -4.571 1.00 44.44 H new ATOM 0 HB3 LEU A 68 -6.908 -0.466 -6.065 1.00 44.44 H new ATOM 0 HG LEU A 68 -8.094 1.561 -5.458 1.00 32.45 H new ATOM 0 HD11 LEU A 68 -10.422 0.718 -5.480 1.00 44.21 H new ATOM 0 HD12 LEU A 68 -9.379 -0.175 -6.612 1.00 44.21 H new ATOM 0 HD13 LEU A 68 -9.829 -0.904 -5.053 1.00 44.21 H new ATOM 0 HD21 LEU A 68 -9.488 1.714 -3.428 1.00 20.14 H new ATOM 0 HD22 LEU A 68 -8.850 0.145 -2.881 1.00 20.14 H new ATOM 0 HD23 LEU A 68 -7.759 1.542 -3.041 1.00 20.14 H new ATOM 1085 N TYR A 69 -5.120 -2.774 -4.350 1.00 51.31 N ATOM 1086 CA TYR A 69 -4.106 -3.757 -4.761 1.00 75.02 C ATOM 1087 C TYR A 69 -4.611 -5.198 -4.571 1.00 14.14 C ATOM 1088 O TYR A 69 -4.657 -5.979 -5.521 1.00 40.31 O ATOM 1089 CB TYR A 69 -2.809 -3.534 -3.961 1.00 62.44 C ATOM 1090 CG TYR A 69 -1.801 -4.671 -4.056 1.00 30.25 C ATOM 1091 CD1 TYR A 69 -1.062 -4.887 -5.217 1.00 45.15 C ATOM 1092 CD2 TYR A 69 -1.587 -5.525 -2.977 1.00 11.30 C ATOM 1093 CE1 TYR A 69 -0.143 -5.920 -5.296 1.00 74.20 C ATOM 1094 CE2 TYR A 69 -0.672 -6.557 -3.051 1.00 55.22 C ATOM 1095 CZ TYR A 69 0.047 -6.751 -4.211 1.00 32.13 C ATOM 1096 OH TYR A 69 0.960 -7.782 -4.285 1.00 73.11 O ATOM 0 H TYR A 69 -4.822 -2.162 -3.591 1.00 51.31 H new ATOM 0 HA TYR A 69 -3.904 -3.615 -5.823 1.00 75.02 H new ATOM 0 HB2 TYR A 69 -2.336 -2.616 -4.310 1.00 62.44 H new ATOM 0 HB3 TYR A 69 -3.066 -3.381 -2.913 1.00 62.44 H new ATOM 0 HD1 TYR A 69 -1.208 -4.239 -6.069 1.00 45.15 H new ATOM 0 HD2 TYR A 69 -2.147 -5.378 -2.065 1.00 11.30 H new ATOM 0 HE1 TYR A 69 0.423 -6.074 -6.203 1.00 74.20 H new ATOM 0 HE2 TYR A 69 -0.520 -7.209 -2.204 1.00 55.22 H new ATOM 0 HH TYR A 69 0.972 -8.270 -3.435 1.00 73.11 H new ATOM 1106 N MET A 70 -5.000 -5.539 -3.343 1.00 12.43 N ATOM 1107 CA MET A 70 -5.471 -6.894 -3.033 1.00 42.33 C ATOM 1108 C MET A 70 -6.790 -7.210 -3.758 1.00 5.53 C ATOM 1109 O MET A 70 -7.017 -8.344 -4.173 1.00 62.11 O ATOM 1110 CB MET A 70 -5.621 -7.080 -1.509 1.00 14.13 C ATOM 1111 CG MET A 70 -6.761 -6.287 -0.871 1.00 40.55 C ATOM 1112 SD MET A 70 -8.393 -7.000 -1.195 1.00 21.21 S ATOM 1113 CE MET A 70 -8.223 -8.598 -0.401 1.00 51.32 C ATOM 0 H MET A 70 -5.000 -4.901 -2.547 1.00 12.43 H new ATOM 0 HA MET A 70 -4.722 -7.599 -3.394 1.00 42.33 H new ATOM 0 HB2 MET A 70 -5.774 -8.139 -1.301 1.00 14.13 H new ATOM 0 HB3 MET A 70 -4.685 -6.793 -1.029 1.00 14.13 H new ATOM 0 HG2 MET A 70 -6.601 -6.236 0.206 1.00 40.55 H new ATOM 0 HG3 MET A 70 -6.738 -5.264 -1.246 1.00 40.55 H new ATOM 0 HE1 MET A 70 -9.206 -8.961 -0.100 1.00 51.32 H new ATOM 0 HE2 MET A 70 -7.773 -9.305 -1.098 1.00 51.32 H new ATOM 0 HE3 MET A 70 -7.587 -8.501 0.479 1.00 51.32 H new ATOM 1123 N ALA A 71 -7.646 -6.198 -3.921 1.00 22.14 N ATOM 1124 CA ALA A 71 -8.920 -6.365 -4.630 1.00 12.24 C ATOM 1125 C ALA A 71 -8.707 -6.638 -6.128 1.00 24.30 C ATOM 1126 O ALA A 71 -9.307 -7.558 -6.695 1.00 74.32 O ATOM 1127 CB ALA A 71 -9.799 -5.133 -4.436 1.00 35.34 C ATOM 0 H ALA A 71 -7.481 -5.254 -3.572 1.00 22.14 H new ATOM 0 HA ALA A 71 -9.423 -7.234 -4.205 1.00 12.24 H new ATOM 0 HB1 ALA A 71 -10.741 -5.271 -4.967 1.00 35.34 H new ATOM 0 HB2 ALA A 71 -9.999 -4.992 -3.374 1.00 35.34 H new ATOM 0 HB3 ALA A 71 -9.286 -4.255 -4.828 1.00 35.34 H new ATOM 1133 N ASN A 72 -7.848 -5.839 -6.766 1.00 52.50 N ATOM 1134 CA ASN A 72 -7.537 -6.013 -8.190 1.00 73.23 C ATOM 1135 C ASN A 72 -6.767 -7.323 -8.426 1.00 45.30 C ATOM 1136 O ASN A 72 -7.085 -8.085 -9.336 1.00 30.12 O ATOM 1137 CB ASN A 72 -6.726 -4.818 -8.712 1.00 72.15 C ATOM 1138 CG ASN A 72 -6.513 -4.862 -10.216 1.00 24.11 C ATOM 1139 OD1 ASN A 72 -7.348 -5.362 -10.963 1.00 63.11 O ATOM 1140 ND2 ASN A 72 -5.393 -4.341 -10.672 1.00 74.24 N ATOM 0 H ASN A 72 -7.355 -5.065 -6.321 1.00 52.50 H new ATOM 0 HA ASN A 72 -8.477 -6.065 -8.739 1.00 73.23 H new ATOM 0 HB2 ASN A 72 -7.240 -3.893 -8.449 1.00 72.15 H new ATOM 0 HB3 ASN A 72 -5.757 -4.797 -8.213 1.00 72.15 H new ATOM 0 HD21 ASN A 72 -5.199 -4.345 -11.673 1.00 74.24 H new ATOM 0 HD22 ASN A 72 -4.719 -3.933 -10.024 1.00 74.24 H new ATOM 1147 N LEU A 73 -5.758 -7.581 -7.591 1.00 11.33 N ATOM 1148 CA LEU A 73 -4.990 -8.834 -7.657 1.00 22.31 C ATOM 1149 C LEU A 73 -5.932 -10.037 -7.500 1.00 14.23 C ATOM 1150 O LEU A 73 -5.864 -11.000 -8.267 1.00 34.31 O ATOM 1151 CB LEU A 73 -3.898 -8.838 -6.565 1.00 42.22 C ATOM 1152 CG LEU A 73 -2.793 -9.917 -6.684 1.00 31.34 C ATOM 1153 CD1 LEU A 73 -3.304 -11.310 -6.314 1.00 33.05 C ATOM 1154 CD2 LEU A 73 -2.188 -9.919 -8.090 1.00 63.15 C ATOM 0 H LEU A 73 -5.451 -6.940 -6.859 1.00 11.33 H new ATOM 0 HA LEU A 73 -4.503 -8.909 -8.629 1.00 22.31 H new ATOM 0 HB2 LEU A 73 -3.418 -7.859 -6.562 1.00 42.22 H new ATOM 0 HB3 LEU A 73 -4.386 -8.957 -5.598 1.00 42.22 H new ATOM 0 HG LEU A 73 -2.013 -9.659 -5.967 1.00 31.34 H new ATOM 0 HD11 LEU A 73 -2.494 -12.033 -6.413 1.00 33.05 H new ATOM 0 HD12 LEU A 73 -3.662 -11.305 -5.285 1.00 33.05 H new ATOM 0 HD13 LEU A 73 -4.121 -11.587 -6.981 1.00 33.05 H new ATOM 0 HD21 LEU A 73 -1.414 -10.684 -8.152 1.00 63.15 H new ATOM 0 HD22 LEU A 73 -2.968 -10.132 -8.821 1.00 63.15 H new ATOM 0 HD23 LEU A 73 -1.751 -8.943 -8.299 1.00 63.15 H new ATOM 1166 N GLU A 74 -6.816 -9.963 -6.504 1.00 4.53 N ATOM 1167 CA GLU A 74 -7.847 -10.983 -6.282 1.00 52.23 C ATOM 1168 C GLU A 74 -8.697 -11.204 -7.541 1.00 13.20 C ATOM 1169 O GLU A 74 -8.860 -12.329 -8.002 1.00 64.24 O ATOM 1170 CB GLU A 74 -8.749 -10.557 -5.114 1.00 70.21 C ATOM 1171 CG GLU A 74 -9.946 -11.468 -4.871 1.00 52.21 C ATOM 1172 CD GLU A 74 -10.847 -10.945 -3.767 1.00 74.13 C ATOM 1173 OE1 GLU A 74 -11.720 -10.099 -4.060 1.00 32.31 O ATOM 1174 OE2 GLU A 74 -10.684 -11.367 -2.602 1.00 70.55 O ATOM 0 H GLU A 74 -6.839 -9.198 -5.830 1.00 4.53 H new ATOM 0 HA GLU A 74 -7.350 -11.923 -6.043 1.00 52.23 H new ATOM 0 HB2 GLU A 74 -8.149 -10.517 -4.205 1.00 70.21 H new ATOM 0 HB3 GLU A 74 -9.111 -9.546 -5.302 1.00 70.21 H new ATOM 0 HG2 GLU A 74 -10.521 -11.564 -5.792 1.00 52.21 H new ATOM 0 HG3 GLU A 74 -9.594 -12.466 -4.609 1.00 52.21 H new ATOM 1181 N HIS A 75 -9.219 -10.117 -8.102 1.00 21.21 N ATOM 1182 CA HIS A 75 -10.086 -10.194 -9.281 1.00 2.21 C ATOM 1183 C HIS A 75 -9.306 -10.617 -10.539 1.00 51.20 C ATOM 1184 O HIS A 75 -9.876 -11.190 -11.464 1.00 14.33 O ATOM 1185 CB HIS A 75 -10.777 -8.846 -9.519 1.00 14.13 C ATOM 1186 CG HIS A 75 -11.802 -8.880 -10.612 1.00 64.21 C ATOM 1187 ND1 HIS A 75 -13.082 -9.343 -10.424 1.00 51.25 N ATOM 1188 CD2 HIS A 75 -11.734 -8.501 -11.911 1.00 41.04 C ATOM 1189 CE1 HIS A 75 -13.756 -9.250 -11.550 1.00 5.14 C ATOM 1190 NE2 HIS A 75 -12.964 -8.741 -12.469 1.00 41.22 N ATOM 0 H HIS A 75 -9.058 -9.169 -7.761 1.00 21.21 H new ATOM 0 HA HIS A 75 -10.839 -10.958 -9.086 1.00 2.21 H new ATOM 0 HB2 HIS A 75 -11.256 -8.525 -8.594 1.00 14.13 H new ATOM 0 HB3 HIS A 75 -10.022 -8.099 -9.764 1.00 14.13 H new ATOM 0 HD2 HIS A 75 -10.872 -8.087 -12.413 1.00 41.04 H new ATOM 0 HE1 HIS A 75 -14.786 -9.542 -11.695 1.00 5.14 H new ATOM 0 HE2 HIS A 75 -13.222 -8.555 -13.438 1.00 41.22 H new ATOM 1199 N HIS A 76 -8.008 -10.334 -10.570 1.00 15.40 N ATOM 1200 CA HIS A 76 -7.160 -10.714 -11.707 1.00 4.33 C ATOM 1201 C HIS A 76 -6.732 -12.189 -11.607 1.00 32.20 C ATOM 1202 O HIS A 76 -6.610 -12.884 -12.616 1.00 11.24 O ATOM 1203 CB HIS A 76 -5.926 -9.806 -11.771 1.00 32.25 C ATOM 1204 CG HIS A 76 -5.161 -9.921 -13.054 1.00 32.22 C ATOM 1205 ND1 HIS A 76 -4.182 -10.867 -13.273 1.00 25.31 N ATOM 1206 CD2 HIS A 76 -5.238 -9.197 -14.195 1.00 64.41 C ATOM 1207 CE1 HIS A 76 -3.692 -10.718 -14.486 1.00 63.50 C ATOM 1208 NE2 HIS A 76 -4.315 -9.715 -15.067 1.00 1.04 N ATOM 0 H HIS A 76 -7.515 -9.843 -9.824 1.00 15.40 H new ATOM 0 HA HIS A 76 -7.740 -10.591 -12.622 1.00 4.33 H new ATOM 0 HB2 HIS A 76 -6.240 -8.771 -11.637 1.00 32.25 H new ATOM 0 HB3 HIS A 76 -5.264 -10.049 -10.940 1.00 32.25 H new ATOM 0 HD2 HIS A 76 -5.902 -8.367 -14.383 1.00 64.41 H new ATOM 0 HE1 HIS A 76 -2.911 -11.318 -14.929 1.00 63.50 H new ATOM 0 HE2 HIS A 76 -4.140 -9.377 -16.013 1.00 1.04 H new ATOM 1217 N HIS A 77 -6.497 -12.653 -10.379 1.00 51.44 N ATOM 1218 CA HIS A 77 -6.148 -14.057 -10.122 1.00 60.21 C ATOM 1219 C HIS A 77 -7.392 -14.953 -10.212 1.00 21.40 C ATOM 1220 O HIS A 77 -7.327 -16.089 -10.679 1.00 24.01 O ATOM 1221 CB HIS A 77 -5.502 -14.186 -8.734 1.00 11.21 C ATOM 1222 CG HIS A 77 -5.064 -15.579 -8.386 1.00 23.22 C ATOM 1223 ND1 HIS A 77 -5.838 -16.453 -7.653 1.00 72.40 N ATOM 1224 CD2 HIS A 77 -3.917 -16.244 -8.663 1.00 63.35 C ATOM 1225 CE1 HIS A 77 -5.189 -17.589 -7.496 1.00 61.41 C ATOM 1226 NE2 HIS A 77 -4.024 -17.490 -8.097 1.00 24.32 N ATOM 0 H HIS A 77 -6.542 -12.075 -9.540 1.00 51.44 H new ATOM 0 HA HIS A 77 -5.437 -14.384 -10.881 1.00 60.21 H new ATOM 0 HB2 HIS A 77 -4.638 -13.523 -8.684 1.00 11.21 H new ATOM 0 HB3 HIS A 77 -6.212 -13.842 -7.982 1.00 11.21 H new ATOM 0 HD2 HIS A 77 -3.076 -15.865 -9.224 1.00 63.35 H new ATOM 0 HE1 HIS A 77 -5.553 -18.455 -6.963 1.00 61.41 H new ATOM 0 HE2 HIS A 77 -3.314 -18.221 -8.136 1.00 24.32 H new ATOM 1235 N HIS A 78 -8.520 -14.427 -9.744 1.00 24.44 N ATOM 1236 CA HIS A 78 -9.809 -15.122 -9.831 1.00 11.25 C ATOM 1237 C HIS A 78 -10.428 -14.960 -11.233 1.00 62.32 C ATOM 1238 O HIS A 78 -11.178 -15.821 -11.697 1.00 14.01 O ATOM 1239 CB HIS A 78 -10.758 -14.573 -8.758 1.00 73.13 C ATOM 1240 CG HIS A 78 -12.113 -15.214 -8.738 1.00 2.12 C ATOM 1241 ND1 HIS A 78 -12.432 -16.293 -7.943 1.00 63.42 N ATOM 1242 CD2 HIS A 78 -13.239 -14.915 -9.424 1.00 15.44 C ATOM 1243 CE1 HIS A 78 -13.690 -16.629 -8.146 1.00 33.50 C ATOM 1244 NE2 HIS A 78 -14.202 -15.809 -9.040 1.00 74.01 N ATOM 0 H HIS A 78 -8.571 -13.512 -9.295 1.00 24.44 H new ATOM 0 HA HIS A 78 -9.648 -16.186 -9.659 1.00 11.25 H new ATOM 0 HB2 HIS A 78 -10.294 -14.703 -7.780 1.00 73.13 H new ATOM 0 HB3 HIS A 78 -10.880 -13.501 -8.913 1.00 73.13 H new ATOM 0 HD2 HIS A 78 -13.357 -14.118 -10.143 1.00 15.44 H new ATOM 0 HE1 HIS A 78 -14.213 -17.440 -7.661 1.00 33.50 H new ATOM 0 HE2 HIS A 78 -15.160 -15.836 -9.389 1.00 74.01 H new