USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 747 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 80 LYS NZ :NH3+ 177:sc= 1 (180deg=0) USER MOD Set 1.2: A 106 THR OG1 : rot 76:sc= 0.857 USER MOD Set 2.1: A 50 ASN : amide:sc= 0.251 X(o=0.49,f=0) USER MOD Set 2.2: A 52 ASN : amide:sc= 0.242 K(o=0.49,f=-0.38) USER MOD Set 3.1: A 44 SER OG : rot 120:sc= 0.0499 USER MOD Set 3.2: A 48 ASN : amide:sc= -3.46! C(o=-3.4!,f=-4.1!) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -120:sc= 0.0455 (180deg=-0.0116) USER MOD Set 4.2: A 67 TYR OH : rot -139:sc= 0.803 USER MOD Set 5.1: A 24 LYS NZ :NH3+ 157:sc= 1.19 (180deg=-0.144) USER MOD Set 5.2: A 69 TYR OH : rot 17:sc= 1.52 USER MOD Set 6.1: A 6 SER OG : rot 141:sc= 1.23 USER MOD Set 6.2: A 10 GLN : amide:sc= 1.07 K(o=2.3,f=0.8!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 159:sc= 0.45 USER MOD Single : A 13 SER OG : rot 2:sc= 1.03 USER MOD Single : A 14 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.211 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 87:sc= 0.527 USER MOD Single : A 22 SER OG : rot -99:sc= 1.48 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.225 K(o=-0.23,f=-1.1) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 1.96 (180deg=1.82) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -0.0264 (180deg=-0.328) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.439 K(o=0.44,f=-0.3) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 57 SER OG : rot -13:sc= 0.696 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0888 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= -0.0291 (180deg=-0.34) USER MOD Single : A 83 TYR OH : rot 139:sc= 0.0762 USER MOD Single : A 85 LYS NZ :NH3+ 159:sc= -0.101 (180deg=-0.486) USER MOD Single : A 86 TYR OH : rot 91:sc= -1.86! USER MOD Single : A 89 SER OG : rot -51:sc= 0.231 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.05 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0.997 K(o=1,f=-15!) USER MOD Single : A 97 ASN : amide:sc= 0.961 K(o=0.96,f=-0.076) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.16 K(o=1.2,f=-1.8) USER MOD Single : A 102 TYR OH : rot -129:sc= 1.22 USER MOD Single : A 103 GLN : amide:sc= -4.4! K(o=-4.4!,f=-0.032) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 4 -4.757 13.448 8.500 1.00 0.00 N ATOM 44 CA PRO A 4 -3.637 12.537 8.736 1.00 0.00 C ATOM 45 C PRO A 4 -3.667 11.988 10.159 1.00 0.00 C ATOM 46 O PRO A 4 -3.876 12.738 11.113 1.00 0.00 O ATOM 47 CB PRO A 4 -2.405 13.414 8.531 1.00 0.00 C ATOM 48 CG PRO A 4 -2.865 14.791 8.851 1.00 0.00 C ATOM 49 CD PRO A 4 -4.305 14.854 8.424 1.00 0.00 C ATOM 0 HA PRO A 4 -3.660 11.670 8.076 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.588 13.108 9.184 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.037 13.347 7.507 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.764 14.999 9.916 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.268 15.535 8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -4.889 15.498 9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.406 15.253 7.415 1.00 0.00 H new ATOM 57 N SER A 5 -3.459 10.691 10.303 1.00 0.00 N ATOM 58 CA SER A 5 -3.527 10.061 11.611 1.00 0.00 C ATOM 59 C SER A 5 -2.610 8.843 11.674 1.00 0.00 C ATOM 60 O SER A 5 -1.728 8.771 12.528 1.00 0.00 O ATOM 61 CB SER A 5 -4.976 9.662 11.929 1.00 0.00 C ATOM 62 OG SER A 5 -5.140 9.345 13.304 1.00 0.00 O ATOM 0 H SER A 5 -3.243 10.056 9.535 1.00 0.00 H new ATOM 0 HA SER A 5 -3.188 10.778 12.359 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.646 10.478 11.661 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.260 8.803 11.320 1.00 0.00 H new ATOM 0 HG SER A 5 -6.073 9.097 13.474 1.00 0.00 H new ATOM 68 N SER A 6 -2.803 7.902 10.754 1.00 0.00 N ATOM 69 CA SER A 6 -2.061 6.649 10.774 1.00 0.00 C ATOM 70 C SER A 6 -0.577 6.858 10.438 1.00 0.00 C ATOM 71 O SER A 6 0.267 6.879 11.335 1.00 0.00 O ATOM 72 CB SER A 6 -2.715 5.652 9.812 1.00 0.00 C ATOM 73 OG SER A 6 -4.100 5.517 10.099 1.00 0.00 O ATOM 0 H SER A 6 -3.468 7.985 9.985 1.00 0.00 H new ATOM 0 HA SER A 6 -2.096 6.243 11.785 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.582 5.989 8.784 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.224 4.682 9.895 1.00 0.00 H new ATOM 0 HG SER A 6 -4.602 5.441 9.261 1.00 0.00 H new ATOM 79 N ALA A 7 -0.258 7.033 9.160 1.00 0.00 N ATOM 80 CA ALA A 7 1.117 7.179 8.734 1.00 0.00 C ATOM 81 C ALA A 7 1.202 8.047 7.485 1.00 0.00 C ATOM 82 O ALA A 7 0.234 8.727 7.132 1.00 0.00 O ATOM 83 CB ALA A 7 1.708 5.811 8.462 1.00 0.00 C ATOM 0 H ALA A 7 -0.941 7.076 8.403 1.00 0.00 H new ATOM 0 HA ALA A 7 1.684 7.667 9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.744 5.920 8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.671 5.211 9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.135 5.317 7.678 1.00 0.00 H new ATOM 89 N SER A 8 2.347 8.020 6.813 1.00 0.00 N ATOM 90 CA SER A 8 2.511 8.748 5.562 1.00 0.00 C ATOM 91 C SER A 8 1.672 8.106 4.461 1.00 0.00 C ATOM 92 O SER A 8 1.400 8.712 3.430 1.00 0.00 O ATOM 93 CB SER A 8 3.980 8.771 5.153 1.00 0.00 C ATOM 94 OG SER A 8 4.796 9.206 6.224 1.00 0.00 O ATOM 0 H SER A 8 3.173 7.503 7.113 1.00 0.00 H new ATOM 0 HA SER A 8 2.171 9.773 5.710 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.289 7.775 4.837 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.113 9.433 4.297 1.00 0.00 H new ATOM 0 HG SER A 8 5.715 8.898 6.081 1.00 0.00 H new ATOM 100 N VAL A 9 1.274 6.869 4.685 1.00 0.00 N ATOM 101 CA VAL A 9 0.420 6.163 3.758 1.00 0.00 C ATOM 102 C VAL A 9 -0.447 5.175 4.530 1.00 0.00 C ATOM 103 O VAL A 9 -0.038 4.671 5.574 1.00 0.00 O ATOM 104 CB VAL A 9 1.262 5.435 2.690 1.00 0.00 C ATOM 105 CG1 VAL A 9 2.344 4.614 3.357 1.00 0.00 C ATOM 106 CG2 VAL A 9 0.397 4.566 1.785 1.00 0.00 C ATOM 0 H VAL A 9 1.533 6.330 5.511 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.223 6.877 3.243 1.00 0.00 H new ATOM 0 HB VAL A 9 1.730 6.188 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.934 4.103 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.992 5.270 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.887 3.877 4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.027 4.070 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.118 3.816 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.337 5.190 1.275 1.00 0.00 H new ATOM 116 N GLN A 10 -1.653 4.956 4.044 1.00 0.00 N ATOM 117 CA GLN A 10 -2.586 4.042 4.677 1.00 0.00 C ATOM 118 C GLN A 10 -3.396 3.318 3.615 1.00 0.00 C ATOM 119 O GLN A 10 -3.719 3.887 2.575 1.00 0.00 O ATOM 120 CB GLN A 10 -3.529 4.819 5.598 1.00 0.00 C ATOM 121 CG GLN A 10 -4.481 3.937 6.390 1.00 0.00 C ATOM 122 CD GLN A 10 -5.715 4.686 6.849 1.00 0.00 C ATOM 123 OE1 GLN A 10 -5.736 5.280 7.930 1.00 0.00 O ATOM 124 NE2 GLN A 10 -6.756 4.650 6.032 1.00 0.00 N ATOM 0 H GLN A 10 -2.014 5.405 3.202 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.028 3.313 5.265 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.935 5.412 6.293 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.111 5.519 4.999 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.782 3.088 5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.960 3.533 7.258 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.693 4.146 5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.621 5.126 6.287 1.00 0.00 H new ATOM 133 N LEU A 11 -3.701 2.059 3.854 1.00 0.00 N ATOM 134 CA LEU A 11 -4.610 1.332 2.988 1.00 0.00 C ATOM 135 C LEU A 11 -6.033 1.862 3.134 1.00 0.00 C ATOM 136 O LEU A 11 -6.521 2.066 4.246 1.00 0.00 O ATOM 137 CB LEU A 11 -4.608 -0.154 3.333 1.00 0.00 C ATOM 138 CG LEU A 11 -5.613 -0.984 2.537 1.00 0.00 C ATOM 139 CD1 LEU A 11 -4.951 -1.593 1.311 1.00 0.00 C ATOM 140 CD2 LEU A 11 -6.224 -2.057 3.419 1.00 0.00 C ATOM 0 H LEU A 11 -3.335 1.518 4.638 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.270 1.472 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.608 -0.554 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.820 -0.269 4.396 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.414 -0.330 2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.683 -2.181 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.566 -0.798 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.130 -2.238 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.939 -2.641 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.437 -2.713 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.736 -1.589 4.260 1.00 0.00 H new ATOM 152 N ASP A 12 -6.688 2.098 2.006 1.00 0.00 N ATOM 153 CA ASP A 12 -8.110 2.396 2.011 1.00 0.00 C ATOM 154 C ASP A 12 -8.868 1.087 2.075 1.00 0.00 C ATOM 155 O ASP A 12 -9.534 0.783 3.065 1.00 0.00 O ATOM 156 CB ASP A 12 -8.526 3.170 0.753 1.00 0.00 C ATOM 157 CG ASP A 12 -9.985 3.605 0.786 1.00 0.00 C ATOM 158 OD1 ASP A 12 -10.883 2.739 0.682 1.00 0.00 O ATOM 159 OD2 ASP A 12 -10.245 4.817 0.917 1.00 0.00 O ATOM 0 H ASP A 12 -6.259 2.089 1.081 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.339 3.021 2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.891 4.050 0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.357 2.546 -0.125 1.00 0.00 H new ATOM 164 N SER A 13 -8.720 0.305 1.017 1.00 0.00 N ATOM 165 CA SER A 13 -9.366 -1.001 0.902 1.00 0.00 C ATOM 166 C SER A 13 -8.767 -1.806 -0.239 1.00 0.00 C ATOM 167 O SER A 13 -8.250 -1.251 -1.214 1.00 0.00 O ATOM 168 CB SER A 13 -10.875 -0.863 0.664 1.00 0.00 C ATOM 169 OG SER A 13 -11.537 -0.291 1.780 1.00 0.00 O ATOM 0 H SER A 13 -8.148 0.555 0.210 1.00 0.00 H new ATOM 0 HA SER A 13 -9.198 -1.519 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.048 -0.245 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.300 -1.844 0.453 1.00 0.00 H new ATOM 0 HG SER A 13 -10.880 -0.076 2.475 1.00 0.00 H new ATOM 175 N TYR A 14 -8.851 -3.111 -0.100 1.00 0.00 N ATOM 176 CA TYR A 14 -8.456 -4.039 -1.140 1.00 0.00 C ATOM 177 C TYR A 14 -9.431 -5.199 -1.134 1.00 0.00 C ATOM 178 O TYR A 14 -10.098 -5.441 -0.128 1.00 0.00 O ATOM 179 CB TYR A 14 -7.022 -4.543 -0.925 1.00 0.00 C ATOM 180 CG TYR A 14 -6.806 -5.292 0.376 1.00 0.00 C ATOM 181 CD1 TYR A 14 -7.258 -6.591 0.539 1.00 0.00 C ATOM 182 CD2 TYR A 14 -6.138 -4.699 1.433 1.00 0.00 C ATOM 183 CE1 TYR A 14 -7.055 -7.277 1.720 1.00 0.00 C ATOM 184 CE2 TYR A 14 -5.930 -5.371 2.617 1.00 0.00 C ATOM 185 CZ TYR A 14 -6.391 -6.662 2.758 1.00 0.00 C ATOM 186 OH TYR A 14 -6.193 -7.335 3.940 1.00 0.00 O ATOM 0 H TYR A 14 -9.199 -3.563 0.746 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.476 -3.532 -2.105 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.752 -5.196 -1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.343 -3.691 -0.956 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.779 -7.076 -0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.772 -3.688 1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.415 -8.289 1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.408 -4.889 3.431 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.124 -8.296 3.762 1.00 0.00 H new ATOM 196 N ASN A 15 -9.536 -5.905 -2.241 1.00 0.00 N ATOM 197 CA ASN A 15 -10.417 -7.054 -2.296 1.00 0.00 C ATOM 198 C ASN A 15 -9.638 -8.314 -2.606 1.00 0.00 C ATOM 199 O ASN A 15 -8.531 -8.260 -3.151 1.00 0.00 O ATOM 200 CB ASN A 15 -11.517 -6.863 -3.341 1.00 0.00 C ATOM 201 CG ASN A 15 -12.468 -5.729 -3.009 1.00 0.00 C ATOM 202 OD1 ASN A 15 -12.683 -5.395 -1.843 1.00 0.00 O ATOM 203 ND2 ASN A 15 -13.052 -5.135 -4.034 1.00 0.00 N ATOM 0 H ASN A 15 -9.030 -5.708 -3.104 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.882 -7.152 -1.315 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.058 -6.671 -4.311 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.085 -7.789 -3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.708 -4.370 -3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.847 -5.441 -4.985 1.00 0.00 H new ATOM 210 N TYR A 16 -10.226 -9.433 -2.228 1.00 0.00 N ATOM 211 CA TYR A 16 -9.720 -10.747 -2.575 1.00 0.00 C ATOM 212 C TYR A 16 -10.908 -11.606 -2.959 1.00 0.00 C ATOM 213 O TYR A 16 -11.999 -11.439 -2.408 1.00 0.00 O ATOM 214 CB TYR A 16 -8.964 -11.394 -1.410 1.00 0.00 C ATOM 215 CG TYR A 16 -8.179 -12.645 -1.785 1.00 0.00 C ATOM 216 CD1 TYR A 16 -6.934 -12.559 -2.399 1.00 0.00 C ATOM 217 CD2 TYR A 16 -8.683 -13.912 -1.515 1.00 0.00 C ATOM 218 CE1 TYR A 16 -6.219 -13.695 -2.735 1.00 0.00 C ATOM 219 CE2 TYR A 16 -7.974 -15.052 -1.847 1.00 0.00 C ATOM 220 CZ TYR A 16 -6.744 -14.940 -2.458 1.00 0.00 C ATOM 221 OH TYR A 16 -6.035 -16.075 -2.794 1.00 0.00 O ATOM 0 H TYR A 16 -11.077 -9.455 -1.666 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.013 -10.655 -3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.276 -10.661 -0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.678 -11.649 -0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.517 -11.587 -2.618 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.647 -14.008 -1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.254 -13.607 -3.212 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.383 -16.027 -1.628 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.075 -15.883 -2.758 1.00 0.00 H new ATOM 231 N ASP A 17 -10.693 -12.506 -3.893 1.00 0.00 N ATOM 232 CA ASP A 17 -11.767 -13.324 -4.441 1.00 0.00 C ATOM 233 C ASP A 17 -11.208 -14.273 -5.478 1.00 0.00 C ATOM 234 O ASP A 17 -10.727 -13.832 -6.529 1.00 0.00 O ATOM 235 CB ASP A 17 -12.852 -12.447 -5.069 1.00 0.00 C ATOM 236 CG ASP A 17 -13.951 -13.260 -5.713 1.00 0.00 C ATOM 237 OD1 ASP A 17 -14.649 -14.001 -4.988 1.00 0.00 O ATOM 238 OD2 ASP A 17 -14.125 -13.157 -6.946 1.00 0.00 O ATOM 0 H ASP A 17 -9.776 -12.695 -4.296 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.215 -13.896 -3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.283 -11.802 -4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.400 -11.795 -5.817 1.00 0.00 H new ATOM 243 N GLY A 18 -11.278 -15.568 -5.193 1.00 0.00 N ATOM 244 CA GLY A 18 -10.561 -16.535 -5.994 1.00 0.00 C ATOM 245 C GLY A 18 -9.090 -16.207 -5.988 1.00 0.00 C ATOM 246 O GLY A 18 -8.398 -16.453 -5.002 1.00 0.00 O ATOM 0 H GLY A 18 -11.818 -15.963 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.721 -17.539 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.941 -16.529 -7.016 1.00 0.00 H new ATOM 250 N SER A 19 -8.612 -15.632 -7.075 1.00 0.00 N ATOM 251 CA SER A 19 -7.319 -14.996 -7.074 1.00 0.00 C ATOM 252 C SER A 19 -7.467 -13.544 -7.535 1.00 0.00 C ATOM 253 O SER A 19 -7.356 -13.237 -8.721 1.00 0.00 O ATOM 254 CB SER A 19 -6.370 -15.761 -7.995 1.00 0.00 C ATOM 255 OG SER A 19 -6.294 -17.132 -7.630 1.00 0.00 O ATOM 0 H SER A 19 -9.104 -15.595 -7.968 1.00 0.00 H new ATOM 0 HA SER A 19 -6.904 -15.003 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.712 -15.675 -9.026 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.377 -15.314 -7.950 1.00 0.00 H new ATOM 0 HG SER A 19 -5.682 -17.598 -8.236 1.00 0.00 H new ATOM 261 N THR A 20 -7.723 -12.664 -6.578 1.00 0.00 N ATOM 262 CA THR A 20 -7.828 -11.231 -6.830 1.00 0.00 C ATOM 263 C THR A 20 -7.245 -10.464 -5.660 1.00 0.00 C ATOM 264 O THR A 20 -7.504 -10.807 -4.516 1.00 0.00 O ATOM 265 CB THR A 20 -9.292 -10.781 -7.028 1.00 0.00 C ATOM 266 OG1 THR A 20 -9.888 -11.503 -8.116 1.00 0.00 O ATOM 267 CG2 THR A 20 -9.363 -9.278 -7.303 1.00 0.00 C ATOM 0 H THR A 20 -7.864 -12.923 -5.602 1.00 0.00 H new ATOM 0 HA THR A 20 -7.276 -11.023 -7.747 1.00 0.00 H new ATOM 0 HB THR A 20 -9.842 -10.994 -6.112 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.260 -12.347 -7.784 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.403 -8.982 -7.439 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.938 -8.733 -6.460 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.798 -9.046 -8.206 1.00 0.00 H new ATOM 275 N PHE A 21 -6.459 -9.449 -5.937 1.00 0.00 N ATOM 276 CA PHE A 21 -5.883 -8.631 -4.893 1.00 0.00 C ATOM 277 C PHE A 21 -6.031 -7.155 -5.227 1.00 0.00 C ATOM 278 O PHE A 21 -6.040 -6.772 -6.399 1.00 0.00 O ATOM 279 CB PHE A 21 -4.410 -9.025 -4.700 1.00 0.00 C ATOM 280 CG PHE A 21 -3.601 -8.137 -3.802 1.00 0.00 C ATOM 281 CD1 PHE A 21 -4.108 -7.711 -2.599 1.00 0.00 C ATOM 282 CD2 PHE A 21 -2.319 -7.750 -4.160 1.00 0.00 C ATOM 283 CE1 PHE A 21 -3.366 -6.911 -1.764 1.00 0.00 C ATOM 284 CE2 PHE A 21 -1.567 -6.945 -3.328 1.00 0.00 C ATOM 285 CZ PHE A 21 -2.094 -6.524 -2.126 1.00 0.00 C ATOM 0 H PHE A 21 -6.202 -9.168 -6.883 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.414 -8.802 -3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.376 -10.039 -4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.931 -9.051 -5.679 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.104 -8.009 -2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.904 -8.082 -5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.781 -6.585 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.570 -6.646 -3.618 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.512 -5.893 -1.470 1.00 0.00 H new ATOM 295 N SER A 22 -6.238 -6.365 -4.180 1.00 0.00 N ATOM 296 CA SER A 22 -6.082 -4.907 -4.213 1.00 0.00 C ATOM 297 C SER A 22 -7.377 -4.148 -4.484 1.00 0.00 C ATOM 298 O SER A 22 -8.445 -4.734 -4.670 1.00 0.00 O ATOM 299 CB SER A 22 -5.001 -4.483 -5.211 1.00 0.00 C ATOM 300 OG SER A 22 -3.761 -5.080 -4.889 1.00 0.00 O ATOM 0 H SER A 22 -6.524 -6.720 -3.268 1.00 0.00 H new ATOM 0 HA SER A 22 -5.771 -4.633 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.298 -4.771 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.900 -3.398 -5.206 1.00 0.00 H new ATOM 0 HG SER A 22 -3.205 -4.436 -4.402 1.00 0.00 H new ATOM 306 N GLY A 23 -7.244 -2.823 -4.481 1.00 0.00 N ATOM 307 CA GLY A 23 -8.371 -1.927 -4.616 1.00 0.00 C ATOM 308 C GLY A 23 -7.897 -0.494 -4.775 1.00 0.00 C ATOM 309 O GLY A 23 -7.853 0.032 -5.890 1.00 0.00 O ATOM 0 H GLY A 23 -6.347 -2.348 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.971 -2.215 -5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.014 -2.008 -3.740 1.00 0.00 H new ATOM 313 N LYS A 24 -7.515 0.138 -3.663 1.00 0.00 N ATOM 314 CA LYS A 24 -6.974 1.495 -3.704 1.00 0.00 C ATOM 315 C LYS A 24 -6.311 1.872 -2.378 1.00 0.00 C ATOM 316 O LYS A 24 -6.457 1.171 -1.373 1.00 0.00 O ATOM 317 CB LYS A 24 -8.052 2.520 -4.080 1.00 0.00 C ATOM 318 CG LYS A 24 -9.208 2.639 -3.095 1.00 0.00 C ATOM 319 CD LYS A 24 -10.197 1.494 -3.225 1.00 0.00 C ATOM 320 CE LYS A 24 -11.361 1.657 -2.267 1.00 0.00 C ATOM 321 NZ LYS A 24 -12.133 2.900 -2.533 1.00 0.00 N ATOM 0 H LYS A 24 -7.570 -0.267 -2.728 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.210 1.512 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.581 3.498 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.455 2.257 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.815 2.663 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.726 3.584 -3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.570 1.448 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.690 0.549 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.023 0.795 -2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.988 1.674 -1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.097 2.797 -2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.665 3.705 -2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.178 3.068 -3.558 1.00 0.00 H new ATOM 335 N ILE A 25 -5.592 2.993 -2.385 1.00 0.00 N ATOM 336 CA ILE A 25 -4.742 3.385 -1.265 1.00 0.00 C ATOM 337 C ILE A 25 -4.968 4.851 -0.871 1.00 0.00 C ATOM 338 O ILE A 25 -5.372 5.678 -1.692 1.00 0.00 O ATOM 339 CB ILE A 25 -3.250 3.173 -1.622 1.00 0.00 C ATOM 340 CG1 ILE A 25 -3.026 1.739 -2.108 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.353 3.474 -0.429 1.00 0.00 C ATOM 342 CD1 ILE A 25 -1.607 1.450 -2.541 1.00 0.00 C ATOM 0 H ILE A 25 -5.583 3.652 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.010 2.755 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.988 3.865 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.299 1.049 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.697 1.541 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.311 3.317 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.494 4.510 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.611 2.811 0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.531 0.414 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.335 2.113 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.930 1.614 -1.702 1.00 0.00 H new ATOM 354 N TYR A 26 -4.689 5.149 0.392 1.00 0.00 N ATOM 355 CA TYR A 26 -4.875 6.475 0.968 1.00 0.00 C ATOM 356 C TYR A 26 -3.500 7.027 1.381 1.00 0.00 C ATOM 357 O TYR A 26 -2.928 6.590 2.377 1.00 0.00 O ATOM 358 CB TYR A 26 -5.801 6.329 2.184 1.00 0.00 C ATOM 359 CG TYR A 26 -6.427 7.606 2.686 1.00 0.00 C ATOM 360 CD1 TYR A 26 -5.680 8.545 3.378 1.00 0.00 C ATOM 361 CD2 TYR A 26 -7.779 7.857 2.486 1.00 0.00 C ATOM 362 CE1 TYR A 26 -6.262 9.705 3.858 1.00 0.00 C ATOM 363 CE2 TYR A 26 -8.367 9.014 2.958 1.00 0.00 C ATOM 364 CZ TYR A 26 -7.606 9.935 3.643 1.00 0.00 C ATOM 365 OH TYR A 26 -8.191 11.089 4.117 1.00 0.00 O ATOM 0 H TYR A 26 -4.322 4.466 1.055 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.323 7.167 0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.598 5.631 1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.233 5.880 2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.628 8.369 3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.380 7.135 1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.668 10.427 4.398 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.418 9.196 2.791 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.142 11.095 3.879 1.00 0.00 H new ATOM 375 N VAL A 27 -2.963 7.980 0.628 1.00 0.00 N ATOM 376 CA VAL A 27 -1.548 8.329 0.763 1.00 0.00 C ATOM 377 C VAL A 27 -1.333 9.826 1.021 1.00 0.00 C ATOM 378 O VAL A 27 -2.076 10.664 0.525 1.00 0.00 O ATOM 379 CB VAL A 27 -0.776 7.904 -0.508 1.00 0.00 C ATOM 380 CG1 VAL A 27 -1.218 8.721 -1.704 1.00 0.00 C ATOM 381 CG2 VAL A 27 0.724 8.025 -0.316 1.00 0.00 C ATOM 0 H VAL A 27 -3.473 8.519 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.167 7.791 1.631 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.008 6.855 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.662 8.405 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.284 8.570 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.027 9.777 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.234 7.718 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.979 9.060 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.038 7.384 0.508 1.00 0.00 H new ATOM 391 N LYS A 28 -0.317 10.139 1.822 1.00 0.00 N ATOM 392 CA LYS A 28 0.094 11.513 2.089 1.00 0.00 C ATOM 393 C LYS A 28 1.067 11.955 1.003 1.00 0.00 C ATOM 394 O LYS A 28 1.756 11.123 0.417 1.00 0.00 O ATOM 395 CB LYS A 28 0.777 11.585 3.463 1.00 0.00 C ATOM 396 CG LYS A 28 1.161 12.985 3.922 1.00 0.00 C ATOM 397 CD LYS A 28 2.201 12.932 5.038 1.00 0.00 C ATOM 398 CE LYS A 28 1.726 12.112 6.235 1.00 0.00 C ATOM 399 NZ LYS A 28 0.873 12.902 7.164 1.00 0.00 N ATOM 0 H LYS A 28 0.247 9.441 2.307 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.776 12.170 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.111 11.146 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.676 10.969 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.556 13.552 3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.274 13.512 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.125 12.503 4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.433 13.946 5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.166 11.247 5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.592 11.731 6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.316 12.928 8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.771 13.872 6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.065 12.459 7.235 1.00 0.00 H new ATOM 413 N ASN A 29 1.116 13.241 0.713 1.00 0.00 N ATOM 414 CA ASN A 29 2.050 13.736 -0.290 1.00 0.00 C ATOM 415 C ASN A 29 3.267 14.384 0.364 1.00 0.00 C ATOM 416 O ASN A 29 3.153 15.355 1.109 1.00 0.00 O ATOM 417 CB ASN A 29 1.370 14.714 -1.267 1.00 0.00 C ATOM 418 CG ASN A 29 0.952 16.027 -0.642 1.00 0.00 C ATOM 419 OD1 ASN A 29 -0.103 16.134 -0.026 1.00 0.00 O ATOM 420 ND2 ASN A 29 1.751 17.045 -0.866 1.00 0.00 N ATOM 0 H ASN A 29 0.532 13.955 1.148 1.00 0.00 H new ATOM 0 HA ASN A 29 2.390 12.876 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.052 14.918 -2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.490 14.231 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.503 17.973 -0.522 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.619 16.908 -1.384 1.00 0.00 H new ATOM 427 N ILE A 30 4.434 13.805 0.112 1.00 0.00 N ATOM 428 CA ILE A 30 5.692 14.418 0.524 1.00 0.00 C ATOM 429 C ILE A 30 6.147 15.346 -0.588 1.00 0.00 C ATOM 430 O ILE A 30 6.504 16.505 -0.367 1.00 0.00 O ATOM 431 CB ILE A 30 6.796 13.367 0.775 1.00 0.00 C ATOM 432 CG1 ILE A 30 6.293 12.250 1.696 1.00 0.00 C ATOM 433 CG2 ILE A 30 8.042 14.019 1.356 1.00 0.00 C ATOM 434 CD1 ILE A 30 5.692 12.729 3.000 1.00 0.00 C ATOM 0 H ILE A 30 4.537 12.914 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 30 5.525 14.954 1.458 1.00 0.00 H new ATOM 0 HB ILE A 30 7.058 12.922 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.546 11.665 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.123 11.580 1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.805 13.259 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.421 14.766 0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.794 14.500 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.364 11.871 3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.440 13.288 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.838 13.374 2.792 1.00 0.00 H new ATOM 446 N ALA A 31 6.120 14.800 -1.790 1.00 0.00 N ATOM 447 CA ALA A 31 6.345 15.540 -2.999 1.00 0.00 C ATOM 448 C ALA A 31 5.199 15.215 -3.938 1.00 0.00 C ATOM 449 O ALA A 31 4.118 14.838 -3.480 1.00 0.00 O ATOM 450 CB ALA A 31 7.687 15.165 -3.612 1.00 0.00 C ATOM 0 H ALA A 31 5.937 13.809 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 31 6.379 16.612 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.841 15.736 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.486 15.391 -2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.697 14.100 -3.842 1.00 0.00 H new ATOM 456 N TYR A 32 5.408 15.323 -5.229 1.00 0.00 N ATOM 457 CA TYR A 32 4.352 14.983 -6.158 1.00 0.00 C ATOM 458 C TYR A 32 4.636 13.641 -6.808 1.00 0.00 C ATOM 459 O TYR A 32 3.772 12.757 -6.831 1.00 0.00 O ATOM 460 CB TYR A 32 4.197 16.082 -7.192 1.00 0.00 C ATOM 461 CG TYR A 32 2.877 16.030 -7.928 1.00 0.00 C ATOM 462 CD1 TYR A 32 1.684 15.939 -7.228 1.00 0.00 C ATOM 463 CD2 TYR A 32 2.822 16.084 -9.314 1.00 0.00 C ATOM 464 CE1 TYR A 32 0.471 15.902 -7.884 1.00 0.00 C ATOM 465 CE2 TYR A 32 1.613 16.046 -9.981 1.00 0.00 C ATOM 466 CZ TYR A 32 0.439 15.956 -9.259 1.00 0.00 C ATOM 467 OH TYR A 32 -0.770 15.925 -9.916 1.00 0.00 O ATOM 0 H TYR A 32 6.280 15.637 -5.655 1.00 0.00 H new ATOM 0 HA TYR A 32 3.410 14.896 -5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.293 17.050 -6.700 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.011 16.009 -7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.705 15.896 -6.149 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.739 16.157 -9.880 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.448 15.831 -7.322 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.586 16.086 -11.060 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.618 15.972 -10.883 1.00 0.00 H new ATOM 477 N SER A 33 5.855 13.484 -7.299 1.00 0.00 N ATOM 478 CA SER A 33 6.296 12.229 -7.884 1.00 0.00 C ATOM 479 C SER A 33 6.554 11.200 -6.783 1.00 0.00 C ATOM 480 O SER A 33 7.692 10.986 -6.364 1.00 0.00 O ATOM 481 CB SER A 33 7.569 12.458 -8.699 1.00 0.00 C ATOM 482 OG SER A 33 7.433 13.587 -9.546 1.00 0.00 O ATOM 0 H SER A 33 6.563 14.219 -7.303 1.00 0.00 H new ATOM 0 HA SER A 33 5.516 11.848 -8.543 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.415 12.603 -8.027 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.786 11.573 -9.298 1.00 0.00 H new ATOM 0 HG SER A 33 8.260 13.715 -10.056 1.00 0.00 H new ATOM 488 N LYS A 34 5.485 10.591 -6.295 1.00 0.00 N ATOM 489 CA LYS A 34 5.576 9.623 -5.226 1.00 0.00 C ATOM 490 C LYS A 34 5.424 8.222 -5.793 1.00 0.00 C ATOM 491 O LYS A 34 4.875 8.047 -6.883 1.00 0.00 O ATOM 492 CB LYS A 34 4.473 9.911 -4.214 1.00 0.00 C ATOM 493 CG LYS A 34 4.439 11.362 -3.779 1.00 0.00 C ATOM 494 CD LYS A 34 3.226 11.678 -2.921 1.00 0.00 C ATOM 495 CE LYS A 34 1.912 11.450 -3.660 1.00 0.00 C ATOM 496 NZ LYS A 34 1.743 12.370 -4.824 1.00 0.00 N ATOM 0 H LYS A 34 4.536 10.756 -6.630 1.00 0.00 H new ATOM 0 HA LYS A 34 6.546 9.692 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.509 9.644 -4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.615 9.277 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.346 11.593 -3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.435 12.003 -4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.247 11.058 -2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.278 12.716 -2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.869 10.418 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.081 11.588 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.905 12.087 -5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.621 13.344 -4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.586 12.320 -5.431 1.00 0.00 H new ATOM 510 N LYS A 35 5.919 7.230 -5.078 1.00 0.00 N ATOM 511 CA LYS A 35 5.753 5.856 -5.492 1.00 0.00 C ATOM 512 C LYS A 35 5.173 5.042 -4.355 1.00 0.00 C ATOM 513 O LYS A 35 5.725 5.002 -3.258 1.00 0.00 O ATOM 514 CB LYS A 35 7.082 5.252 -5.943 1.00 0.00 C ATOM 515 CG LYS A 35 7.749 6.019 -7.074 1.00 0.00 C ATOM 516 CD LYS A 35 8.817 5.185 -7.761 1.00 0.00 C ATOM 517 CE LYS A 35 8.206 3.986 -8.468 1.00 0.00 C ATOM 518 NZ LYS A 35 7.236 4.395 -9.521 1.00 0.00 N ATOM 0 H LYS A 35 6.438 7.353 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 35 5.067 5.835 -6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.761 5.214 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.914 4.224 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.997 6.321 -7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.196 6.932 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.355 5.800 -8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.546 4.845 -7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.998 3.387 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.703 3.352 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.062 3.595 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.341 4.683 -9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.626 5.193 -10.062 1.00 0.00 H new ATOM 532 N VAL A 36 4.058 4.401 -4.613 1.00 0.00 N ATOM 533 CA VAL A 36 3.438 3.569 -3.613 1.00 0.00 C ATOM 534 C VAL A 36 3.423 2.149 -4.111 1.00 0.00 C ATOM 535 O VAL A 36 2.941 1.858 -5.206 1.00 0.00 O ATOM 536 CB VAL A 36 2.015 4.028 -3.252 1.00 0.00 C ATOM 537 CG1 VAL A 36 1.351 3.029 -2.331 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.060 5.390 -2.588 1.00 0.00 C ATOM 0 H VAL A 36 3.564 4.440 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 36 4.023 3.648 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 36 1.432 4.096 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.345 3.371 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.294 2.060 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.934 2.935 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.048 5.706 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.658 5.332 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.506 6.113 -3.271 1.00 0.00 H new ATOM 548 N THR A 37 3.966 1.276 -3.309 1.00 0.00 N ATOM 549 CA THR A 37 4.222 -0.071 -3.742 1.00 0.00 C ATOM 550 C THR A 37 3.873 -1.065 -2.657 1.00 0.00 C ATOM 551 O THR A 37 4.285 -0.923 -1.511 1.00 0.00 O ATOM 552 CB THR A 37 5.693 -0.224 -4.163 1.00 0.00 C ATOM 553 OG1 THR A 37 6.524 0.645 -3.380 1.00 0.00 O ATOM 554 CG2 THR A 37 5.863 0.085 -5.641 1.00 0.00 C ATOM 0 H THR A 37 4.241 1.474 -2.347 1.00 0.00 H new ATOM 0 HA THR A 37 3.588 -0.279 -4.604 1.00 0.00 H new ATOM 0 HB THR A 37 5.995 -1.257 -3.989 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.459 0.539 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.911 -0.029 -5.918 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.255 -0.603 -6.229 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.545 1.109 -5.838 1.00 0.00 H new ATOM 562 N VAL A 38 3.100 -2.061 -3.024 1.00 0.00 N ATOM 563 CA VAL A 38 2.657 -3.059 -2.075 1.00 0.00 C ATOM 564 C VAL A 38 3.555 -4.260 -2.109 1.00 0.00 C ATOM 565 O VAL A 38 3.761 -4.880 -3.152 1.00 0.00 O ATOM 566 CB VAL A 38 1.208 -3.503 -2.323 1.00 0.00 C ATOM 567 CG1 VAL A 38 0.910 -4.857 -1.689 1.00 0.00 C ATOM 568 CG2 VAL A 38 0.254 -2.470 -1.786 1.00 0.00 C ATOM 0 H VAL A 38 2.763 -2.203 -3.976 1.00 0.00 H new ATOM 0 HA VAL A 38 2.702 -2.591 -1.092 1.00 0.00 H new ATOM 0 HB VAL A 38 1.076 -3.604 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.126 -5.132 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.574 -5.611 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.068 -4.797 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.771 -2.793 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.413 -2.350 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.428 -1.518 -2.288 1.00 0.00 H new ATOM 578 N VAL A 39 4.078 -4.576 -0.958 1.00 0.00 N ATOM 579 CA VAL A 39 4.914 -5.741 -0.810 1.00 0.00 C ATOM 580 C VAL A 39 4.097 -6.812 -0.153 1.00 0.00 C ATOM 581 O VAL A 39 3.759 -6.683 1.019 1.00 0.00 O ATOM 582 CB VAL A 39 6.158 -5.493 0.070 1.00 0.00 C ATOM 583 CG1 VAL A 39 7.397 -6.041 -0.614 1.00 0.00 C ATOM 584 CG2 VAL A 39 6.325 -4.018 0.392 1.00 0.00 C ATOM 0 H VAL A 39 3.941 -4.041 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 39 5.264 -6.020 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 39 6.017 -6.018 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.269 -5.861 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.280 -7.113 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.533 -5.543 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.210 -3.879 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.439 -3.454 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.446 -3.661 0.928 1.00 0.00 H new ATOM 594 N TYR A 40 3.725 -7.838 -0.889 1.00 0.00 N ATOM 595 CA TYR A 40 3.045 -8.939 -0.264 1.00 0.00 C ATOM 596 C TYR A 40 3.945 -10.104 -0.028 1.00 0.00 C ATOM 597 O TYR A 40 4.911 -10.359 -0.755 1.00 0.00 O ATOM 598 CB TYR A 40 1.836 -9.411 -1.050 1.00 0.00 C ATOM 599 CG TYR A 40 2.078 -9.762 -2.503 1.00 0.00 C ATOM 600 CD1 TYR A 40 3.147 -10.531 -2.943 1.00 0.00 C ATOM 601 CD2 TYR A 40 1.192 -9.312 -3.424 1.00 0.00 C ATOM 602 CE1 TYR A 40 3.305 -10.828 -4.282 1.00 0.00 C ATOM 603 CE2 TYR A 40 1.324 -9.597 -4.769 1.00 0.00 C ATOM 604 CZ TYR A 40 2.390 -10.358 -5.193 1.00 0.00 C ATOM 605 OH TYR A 40 2.535 -10.657 -6.527 1.00 0.00 O ATOM 0 H TYR A 40 3.879 -7.928 -1.893 1.00 0.00 H new ATOM 0 HA TYR A 40 2.707 -8.545 0.695 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.423 -10.287 -0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.075 -8.632 -1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.866 -10.902 -2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.356 -8.712 -3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.142 -11.426 -4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.600 -9.227 -5.480 1.00 0.00 H new ATOM 0 HH TYR A 40 1.803 -10.249 -7.035 1.00 0.00 H new ATOM 615 N ALA A 41 3.638 -10.786 1.029 1.00 0.00 N ATOM 616 CA ALA A 41 4.168 -12.072 1.244 1.00 0.00 C ATOM 617 C ALA A 41 3.255 -13.035 0.523 1.00 0.00 C ATOM 618 O ALA A 41 2.173 -13.396 1.006 1.00 0.00 O ATOM 619 CB ALA A 41 4.298 -12.341 2.712 1.00 0.00 C ATOM 0 H ALA A 41 3.010 -10.456 1.762 1.00 0.00 H new ATOM 0 HA ALA A 41 5.178 -12.181 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.709 -13.339 2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.963 -11.603 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.317 -12.277 3.182 1.00 0.00 H new ATOM 625 N ASP A 42 3.695 -13.297 -0.698 1.00 0.00 N ATOM 626 CA ASP A 42 2.975 -14.065 -1.733 1.00 0.00 C ATOM 627 C ASP A 42 2.542 -15.459 -1.247 1.00 0.00 C ATOM 628 O ASP A 42 2.547 -15.737 -0.050 1.00 0.00 O ATOM 629 CB ASP A 42 3.907 -14.180 -2.957 1.00 0.00 C ATOM 630 CG ASP A 42 3.215 -14.609 -4.244 1.00 0.00 C ATOM 631 OD1 ASP A 42 2.685 -13.743 -4.960 1.00 0.00 O ATOM 632 OD2 ASP A 42 3.240 -15.818 -4.555 1.00 0.00 O ATOM 0 H ASP A 42 4.605 -12.970 -1.021 1.00 0.00 H new ATOM 0 HA ASP A 42 2.053 -13.541 -1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.388 -13.216 -3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.697 -14.895 -2.729 1.00 0.00 H new ATOM 637 N GLY A 43 2.190 -16.346 -2.177 1.00 0.00 N ATOM 638 CA GLY A 43 1.788 -17.698 -1.822 1.00 0.00 C ATOM 639 C GLY A 43 2.872 -18.429 -1.050 1.00 0.00 C ATOM 640 O GLY A 43 2.621 -19.456 -0.421 1.00 0.00 O ATOM 0 H GLY A 43 2.176 -16.149 -3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.879 -17.660 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.550 -18.255 -2.728 1.00 0.00 H new ATOM 644 N SER A 44 4.083 -17.884 -1.103 1.00 0.00 N ATOM 645 CA SER A 44 5.195 -18.383 -0.317 1.00 0.00 C ATOM 646 C SER A 44 4.861 -18.323 1.177 1.00 0.00 C ATOM 647 O SER A 44 5.416 -19.082 1.973 1.00 0.00 O ATOM 648 CB SER A 44 6.449 -17.555 -0.621 1.00 0.00 C ATOM 649 OG SER A 44 7.588 -18.036 0.075 1.00 0.00 O ATOM 0 H SER A 44 4.316 -17.085 -1.693 1.00 0.00 H new ATOM 0 HA SER A 44 5.383 -19.424 -0.582 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.645 -17.575 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.271 -16.515 -0.349 1.00 0.00 H new ATOM 0 HG SER A 44 8.278 -18.299 -0.569 1.00 0.00 H new ATOM 655 N ASP A 45 3.956 -17.392 1.542 1.00 0.00 N ATOM 656 CA ASP A 45 3.437 -17.273 2.909 1.00 0.00 C ATOM 657 C ASP A 45 4.535 -16.755 3.817 1.00 0.00 C ATOM 658 O ASP A 45 4.435 -16.776 5.044 1.00 0.00 O ATOM 659 CB ASP A 45 2.891 -18.628 3.399 1.00 0.00 C ATOM 660 CG ASP A 45 2.200 -18.553 4.747 1.00 0.00 C ATOM 661 OD1 ASP A 45 1.500 -17.559 5.011 1.00 0.00 O ATOM 662 OD2 ASP A 45 2.328 -19.512 5.540 1.00 0.00 O ATOM 0 H ASP A 45 3.569 -16.705 0.895 1.00 0.00 H new ATOM 0 HA ASP A 45 2.609 -16.565 2.926 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.188 -19.015 2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.713 -19.341 3.461 1.00 0.00 H new ATOM 667 N ASN A 46 5.568 -16.239 3.173 1.00 0.00 N ATOM 668 CA ASN A 46 6.815 -15.902 3.832 1.00 0.00 C ATOM 669 C ASN A 46 7.564 -14.918 2.975 1.00 0.00 C ATOM 670 O ASN A 46 7.397 -14.901 1.750 1.00 0.00 O ATOM 671 CB ASN A 46 7.693 -17.144 4.008 1.00 0.00 C ATOM 672 CG ASN A 46 7.197 -18.106 5.076 1.00 0.00 C ATOM 673 OD1 ASN A 46 7.518 -17.957 6.253 1.00 0.00 O ATOM 674 ND2 ASN A 46 6.426 -19.105 4.672 1.00 0.00 N ATOM 0 H ASN A 46 5.563 -16.042 2.172 1.00 0.00 H new ATOM 0 HA ASN A 46 6.587 -15.482 4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.752 -17.673 3.057 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.705 -16.828 4.260 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.077 -19.785 5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.182 -19.194 3.686 1.00 0.00 H new ATOM 681 N TRP A 47 8.382 -14.096 3.590 1.00 0.00 N ATOM 682 CA TRP A 47 9.232 -13.241 2.842 1.00 0.00 C ATOM 683 C TRP A 47 10.610 -13.848 2.674 1.00 0.00 C ATOM 684 O TRP A 47 11.470 -13.713 3.539 1.00 0.00 O ATOM 685 CB TRP A 47 9.316 -11.874 3.457 1.00 0.00 C ATOM 686 CG TRP A 47 8.660 -10.952 2.542 1.00 0.00 C ATOM 687 CD1 TRP A 47 9.042 -10.736 1.271 1.00 0.00 C ATOM 688 CD2 TRP A 47 7.492 -10.197 2.763 1.00 0.00 C ATOM 689 NE1 TRP A 47 8.186 -9.867 0.668 1.00 0.00 N ATOM 690 CE2 TRP A 47 7.221 -9.526 1.574 1.00 0.00 C ATOM 691 CE3 TRP A 47 6.640 -10.012 3.846 1.00 0.00 C ATOM 692 CZ2 TRP A 47 6.141 -8.702 1.443 1.00 0.00 C ATOM 693 CZ3 TRP A 47 5.574 -9.189 3.700 1.00 0.00 C ATOM 694 CH2 TRP A 47 5.326 -8.547 2.510 1.00 0.00 C ATOM 0 H TRP A 47 8.467 -14.011 4.603 1.00 0.00 H new ATOM 0 HA TRP A 47 8.792 -13.130 1.851 1.00 0.00 H new ATOM 0 HB2 TRP A 47 8.830 -11.860 4.432 1.00 0.00 H new ATOM 0 HB3 TRP A 47 10.355 -11.586 3.615 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.902 -11.186 0.798 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.253 -9.529 -0.292 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.824 -10.514 4.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.943 -8.189 0.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.906 -9.034 4.535 1.00 0.00 H new ATOM 0 HH2 TRP A 47 4.462 -7.905 2.426 1.00 0.00 H new ATOM 705 N ASN A 48 10.815 -14.517 1.546 1.00 0.00 N ATOM 706 CA ASN A 48 12.094 -15.157 1.251 1.00 0.00 C ATOM 707 C ASN A 48 13.094 -14.165 0.671 1.00 0.00 C ATOM 708 O ASN A 48 14.056 -14.552 0.002 1.00 0.00 O ATOM 709 CB ASN A 48 11.910 -16.343 0.289 1.00 0.00 C ATOM 710 CG ASN A 48 11.112 -16.004 -0.954 1.00 0.00 C ATOM 711 OD1 ASN A 48 11.662 -15.541 -1.948 1.00 0.00 O ATOM 712 ND2 ASN A 48 9.811 -16.263 -0.921 1.00 0.00 N ATOM 0 H ASN A 48 10.110 -14.631 0.817 1.00 0.00 H new ATOM 0 HA ASN A 48 12.492 -15.531 2.195 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.891 -16.712 -0.010 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.412 -17.155 0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.233 -16.077 -1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.389 -16.648 -0.076 1.00 0.00 H new ATOM 719 N ASN A 49 12.856 -12.883 0.957 1.00 0.00 N ATOM 720 CA ASN A 49 13.687 -11.789 0.456 1.00 0.00 C ATOM 721 C ASN A 49 13.858 -11.903 -1.050 1.00 0.00 C ATOM 722 O ASN A 49 14.958 -12.139 -1.547 1.00 0.00 O ATOM 723 CB ASN A 49 15.053 -11.784 1.151 1.00 0.00 C ATOM 724 CG ASN A 49 14.951 -11.539 2.644 1.00 0.00 C ATOM 725 OD1 ASN A 49 14.078 -10.806 3.113 1.00 0.00 O ATOM 726 ND2 ASN A 49 15.839 -12.162 3.401 1.00 0.00 N ATOM 0 H ASN A 49 12.080 -12.575 1.543 1.00 0.00 H new ATOM 0 HA ASN A 49 13.187 -10.847 0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.548 -12.740 0.977 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.681 -11.014 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.818 -12.045 4.414 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.545 -12.760 2.972 1.00 0.00 H new ATOM 733 N ASN A 50 12.762 -11.741 -1.776 1.00 0.00 N ATOM 734 CA ASN A 50 12.773 -11.983 -3.211 1.00 0.00 C ATOM 735 C ASN A 50 12.499 -10.713 -4.002 1.00 0.00 C ATOM 736 O ASN A 50 13.344 -10.256 -4.770 1.00 0.00 O ATOM 737 CB ASN A 50 11.749 -13.066 -3.575 1.00 0.00 C ATOM 738 CG ASN A 50 11.688 -13.336 -5.067 1.00 0.00 C ATOM 739 OD1 ASN A 50 12.521 -14.063 -5.609 1.00 0.00 O ATOM 740 ND2 ASN A 50 10.682 -12.791 -5.735 1.00 0.00 N ATOM 0 H ASN A 50 11.861 -11.446 -1.400 1.00 0.00 H new ATOM 0 HA ASN A 50 13.772 -12.328 -3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.001 -13.989 -3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.763 -12.761 -3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.578 -12.968 -6.734 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.012 -12.194 -5.250 1.00 0.00 H new ATOM 747 N GLY A 51 11.326 -10.142 -3.800 1.00 0.00 N ATOM 748 CA GLY A 51 10.919 -8.990 -4.574 1.00 0.00 C ATOM 749 C GLY A 51 9.525 -9.176 -5.119 1.00 0.00 C ATOM 750 O GLY A 51 9.344 -9.457 -6.302 1.00 0.00 O ATOM 0 H GLY A 51 10.644 -10.457 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.954 -8.097 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.618 -8.833 -5.396 1.00 0.00 H new ATOM 754 N ASN A 52 8.542 -9.043 -4.246 1.00 0.00 N ATOM 755 CA ASN A 52 7.151 -9.279 -4.607 1.00 0.00 C ATOM 756 C ASN A 52 6.354 -7.995 -4.445 1.00 0.00 C ATOM 757 O ASN A 52 5.725 -7.771 -3.409 1.00 0.00 O ATOM 758 CB ASN A 52 6.556 -10.376 -3.722 1.00 0.00 C ATOM 759 CG ASN A 52 7.332 -11.675 -3.783 1.00 0.00 C ATOM 760 OD1 ASN A 52 7.943 -12.005 -4.798 1.00 0.00 O ATOM 761 ND2 ASN A 52 7.329 -12.412 -2.684 1.00 0.00 N ATOM 0 H ASN A 52 8.681 -8.770 -3.273 1.00 0.00 H new ATOM 0 HA ASN A 52 7.104 -9.602 -5.647 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.526 -10.026 -2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.526 -10.561 -4.026 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.847 -13.290 -2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.809 -12.102 -1.863 1.00 0.00 H new ATOM 768 N ILE A 53 6.391 -7.149 -5.462 1.00 0.00 N ATOM 769 CA ILE A 53 5.819 -5.827 -5.359 1.00 0.00 C ATOM 770 C ILE A 53 4.699 -5.598 -6.373 1.00 0.00 C ATOM 771 O ILE A 53 4.687 -6.179 -7.460 1.00 0.00 O ATOM 772 CB ILE A 53 6.915 -4.763 -5.559 1.00 0.00 C ATOM 773 CG1 ILE A 53 6.443 -3.404 -5.068 1.00 0.00 C ATOM 774 CG2 ILE A 53 7.369 -4.695 -7.011 1.00 0.00 C ATOM 775 CD1 ILE A 53 6.414 -3.324 -3.563 1.00 0.00 C ATOM 0 H ILE A 53 6.813 -7.360 -6.367 1.00 0.00 H new ATOM 0 HA ILE A 53 5.387 -5.741 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 53 7.778 -5.059 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 53 7.102 -2.629 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.446 -3.203 -5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.142 -3.934 -7.115 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.769 -5.663 -7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.521 -4.439 -7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.071 -2.336 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.735 -4.081 -3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.416 -3.498 -3.170 1.00 0.00 H new ATOM 787 N ILE A 54 3.756 -4.758 -5.988 1.00 0.00 N ATOM 788 CA ILE A 54 2.745 -4.254 -6.908 1.00 0.00 C ATOM 789 C ILE A 54 2.725 -2.729 -6.813 1.00 0.00 C ATOM 790 O ILE A 54 2.837 -2.173 -5.720 1.00 0.00 O ATOM 791 CB ILE A 54 1.334 -4.841 -6.620 1.00 0.00 C ATOM 792 CG1 ILE A 54 0.414 -4.627 -7.818 1.00 0.00 C ATOM 793 CG2 ILE A 54 0.706 -4.233 -5.379 1.00 0.00 C ATOM 794 CD1 ILE A 54 0.743 -5.522 -8.990 1.00 0.00 C ATOM 0 H ILE A 54 3.667 -4.406 -5.035 1.00 0.00 H new ATOM 0 HA ILE A 54 3.005 -4.570 -7.918 1.00 0.00 H new ATOM 0 HB ILE A 54 1.461 -5.909 -6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.617 -4.804 -7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.478 -3.586 -8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.278 -4.673 -5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.340 -4.433 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.605 -3.156 -5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.052 -5.319 -9.808 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.763 -5.328 -9.321 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.652 -6.565 -8.688 1.00 0.00 H new ATOM 806 N ALA A 55 2.630 -2.051 -7.946 1.00 0.00 N ATOM 807 CA ALA A 55 2.707 -0.598 -7.952 1.00 0.00 C ATOM 808 C ALA A 55 1.325 0.041 -8.012 1.00 0.00 C ATOM 809 O ALA A 55 0.428 -0.442 -8.703 1.00 0.00 O ATOM 810 CB ALA A 55 3.569 -0.109 -9.106 1.00 0.00 C ATOM 0 H ALA A 55 2.501 -2.477 -8.864 1.00 0.00 H new ATOM 0 HA ALA A 55 3.172 -0.293 -7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.613 0.980 -9.091 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.576 -0.514 -9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.137 -0.442 -10.050 1.00 0.00 H new ATOM 816 N ALA A 56 1.167 1.127 -7.270 1.00 0.00 N ATOM 817 CA ALA A 56 -0.079 1.867 -7.230 1.00 0.00 C ATOM 818 C ALA A 56 -0.049 3.022 -8.229 1.00 0.00 C ATOM 819 O ALA A 56 1.008 3.609 -8.479 1.00 0.00 O ATOM 820 CB ALA A 56 -0.306 2.392 -5.822 1.00 0.00 C ATOM 0 H ALA A 56 1.901 1.518 -6.680 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.899 1.203 -7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.242 2.949 -5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.356 1.555 -5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.517 3.049 -5.541 1.00 0.00 H new ATOM 826 N SER A 57 -1.202 3.336 -8.803 1.00 0.00 N ATOM 827 CA SER A 57 -1.331 4.440 -9.725 1.00 0.00 C ATOM 828 C SER A 57 -2.127 5.552 -9.067 1.00 0.00 C ATOM 829 O SER A 57 -2.998 5.292 -8.235 1.00 0.00 O ATOM 830 CB SER A 57 -2.020 3.963 -11.001 1.00 0.00 C ATOM 831 OG SER A 57 -3.301 3.410 -10.728 1.00 0.00 O ATOM 0 H SER A 57 -2.071 2.828 -8.638 1.00 0.00 H new ATOM 0 HA SER A 57 -0.345 4.823 -9.988 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.124 4.798 -11.693 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.398 3.216 -11.494 1.00 0.00 H new ATOM 0 HG SER A 57 -3.393 3.258 -9.764 1.00 0.00 H new ATOM 837 N PHE A 58 -1.820 6.782 -9.427 1.00 0.00 N ATOM 838 CA PHE A 58 -2.464 7.926 -8.815 1.00 0.00 C ATOM 839 C PHE A 58 -3.902 8.018 -9.291 1.00 0.00 C ATOM 840 O PHE A 58 -4.195 7.771 -10.460 1.00 0.00 O ATOM 841 CB PHE A 58 -1.785 9.269 -9.133 1.00 0.00 C ATOM 842 CG PHE A 58 -0.269 9.302 -9.166 1.00 0.00 C ATOM 843 CD1 PHE A 58 0.511 8.214 -8.803 1.00 0.00 C ATOM 844 CD2 PHE A 58 0.373 10.460 -9.582 1.00 0.00 C ATOM 845 CE1 PHE A 58 1.891 8.280 -8.858 1.00 0.00 C ATOM 846 CE2 PHE A 58 1.752 10.532 -9.635 1.00 0.00 C ATOM 847 CZ PHE A 58 2.511 9.441 -9.272 1.00 0.00 C ATOM 0 H PHE A 58 -1.129 7.015 -10.140 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.394 7.762 -7.740 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.149 9.607 -10.103 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.120 9.997 -8.395 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.034 7.303 -8.473 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.215 11.319 -9.869 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.484 7.422 -8.577 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.234 11.442 -9.960 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.589 9.494 -9.311 1.00 0.00 H new ATOM 857 N SER A 59 -4.785 8.392 -8.392 1.00 0.00 N ATOM 858 CA SER A 59 -6.180 8.568 -8.737 1.00 0.00 C ATOM 859 C SER A 59 -6.565 10.039 -8.579 1.00 0.00 C ATOM 860 O SER A 59 -7.204 10.615 -9.458 1.00 0.00 O ATOM 861 CB SER A 59 -7.068 7.671 -7.863 1.00 0.00 C ATOM 862 OG SER A 59 -8.421 7.701 -8.283 1.00 0.00 O ATOM 0 H SER A 59 -4.562 8.581 -7.415 1.00 0.00 H new ATOM 0 HA SER A 59 -6.332 8.276 -9.776 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.698 6.646 -7.901 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.002 7.996 -6.825 1.00 0.00 H new ATOM 0 HG SER A 59 -8.956 7.118 -7.705 1.00 0.00 H new ATOM 868 N GLY A 60 -6.149 10.652 -7.468 1.00 0.00 N ATOM 869 CA GLY A 60 -6.456 12.059 -7.242 1.00 0.00 C ATOM 870 C GLY A 60 -7.345 12.330 -6.024 1.00 0.00 C ATOM 871 O GLY A 60 -6.851 12.860 -5.036 1.00 0.00 O ATOM 0 H GLY A 60 -5.610 10.204 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.521 12.607 -7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.947 12.457 -8.130 1.00 0.00 H new ATOM 875 N PRO A 61 -8.642 11.910 -6.076 1.00 0.00 N ATOM 876 CA PRO A 61 -9.760 12.281 -5.184 1.00 0.00 C ATOM 877 C PRO A 61 -9.488 13.015 -3.862 1.00 0.00 C ATOM 878 O PRO A 61 -10.239 13.934 -3.523 1.00 0.00 O ATOM 879 CB PRO A 61 -10.399 10.919 -4.953 1.00 0.00 C ATOM 880 CG PRO A 61 -10.255 10.219 -6.272 1.00 0.00 C ATOM 881 CD PRO A 61 -9.175 10.951 -7.052 1.00 0.00 C ATOM 0 HA PRO A 61 -10.358 13.059 -5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.896 10.373 -4.155 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.446 11.014 -4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.983 9.174 -6.125 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.198 10.229 -6.818 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.403 10.268 -7.407 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.583 11.454 -7.928 1.00 0.00 H new ATOM 889 N ILE A 62 -8.484 12.630 -3.106 1.00 0.00 N ATOM 890 CA ILE A 62 -8.241 13.272 -1.809 1.00 0.00 C ATOM 891 C ILE A 62 -7.717 14.693 -2.007 1.00 0.00 C ATOM 892 O ILE A 62 -6.510 14.926 -2.075 1.00 0.00 O ATOM 893 CB ILE A 62 -7.248 12.503 -0.908 1.00 0.00 C ATOM 894 CG1 ILE A 62 -7.546 11.010 -0.923 1.00 0.00 C ATOM 895 CG2 ILE A 62 -7.337 13.019 0.522 1.00 0.00 C ATOM 896 CD1 ILE A 62 -6.728 10.222 0.069 1.00 0.00 C ATOM 0 H ILE A 62 -7.826 11.890 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.206 13.278 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.242 12.665 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.604 10.857 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.361 10.621 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.634 12.472 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.091 14.081 0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.349 12.874 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.993 9.167 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.668 10.345 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.931 10.584 1.077 1.00 0.00 H new ATOM 908 N SER A 63 -8.641 15.632 -2.110 1.00 0.00 N ATOM 909 CA SER A 63 -8.304 17.032 -2.291 1.00 0.00 C ATOM 910 C SER A 63 -8.741 17.824 -1.062 1.00 0.00 C ATOM 911 O SER A 63 -9.534 17.330 -0.255 1.00 0.00 O ATOM 912 CB SER A 63 -8.984 17.569 -3.553 1.00 0.00 C ATOM 913 OG SER A 63 -8.503 18.857 -3.897 1.00 0.00 O ATOM 0 H SER A 63 -9.643 15.446 -2.071 1.00 0.00 H new ATOM 0 HA SER A 63 -7.226 17.138 -2.409 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.810 16.882 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.062 17.612 -3.396 1.00 0.00 H new ATOM 0 HG SER A 63 -8.956 19.170 -4.708 1.00 0.00 H new ATOM 919 N GLY A 64 -8.220 19.035 -0.910 1.00 0.00 N ATOM 920 CA GLY A 64 -8.540 19.846 0.251 1.00 0.00 C ATOM 921 C GLY A 64 -7.838 19.339 1.491 1.00 0.00 C ATOM 922 O GLY A 64 -8.265 19.596 2.618 1.00 0.00 O ATOM 0 H GLY A 64 -7.579 19.472 -1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.251 20.880 0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.618 19.841 0.414 1.00 0.00 H new ATOM 926 N SER A 65 -6.763 18.596 1.278 1.00 0.00 N ATOM 927 CA SER A 65 -6.000 18.000 2.361 1.00 0.00 C ATOM 928 C SER A 65 -4.568 17.742 1.906 1.00 0.00 C ATOM 929 O SER A 65 -4.237 17.931 0.735 1.00 0.00 O ATOM 930 CB SER A 65 -6.660 16.688 2.805 1.00 0.00 C ATOM 931 OG SER A 65 -7.985 16.909 3.269 1.00 0.00 O ATOM 0 H SER A 65 -6.396 18.390 0.349 1.00 0.00 H new ATOM 0 HA SER A 65 -5.982 18.688 3.206 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.676 15.986 1.971 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.067 16.229 3.596 1.00 0.00 H new ATOM 0 HG SER A 65 -8.382 16.056 3.544 1.00 0.00 H new ATOM 937 N ASN A 66 -3.723 17.309 2.832 1.00 0.00 N ATOM 938 CA ASN A 66 -2.320 17.043 2.527 1.00 0.00 C ATOM 939 C ASN A 66 -2.129 15.580 2.139 1.00 0.00 C ATOM 940 O ASN A 66 -1.089 14.980 2.414 1.00 0.00 O ATOM 941 CB ASN A 66 -1.431 17.390 3.729 1.00 0.00 C ATOM 942 CG ASN A 66 -1.697 18.783 4.271 1.00 0.00 C ATOM 943 OD1 ASN A 66 -2.524 18.959 5.165 1.00 0.00 O ATOM 944 ND2 ASN A 66 -1.007 19.778 3.732 1.00 0.00 N ATOM 0 H ASN A 66 -3.983 17.134 3.803 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.028 17.671 1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.596 16.659 4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.384 17.312 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.152 20.734 4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.331 19.588 2.993 1.00 0.00 H new ATOM 951 N TYR A 67 -3.149 15.014 1.509 1.00 0.00 N ATOM 952 CA TYR A 67 -3.114 13.632 1.055 1.00 0.00 C ATOM 953 C TYR A 67 -3.532 13.548 -0.399 1.00 0.00 C ATOM 954 O TYR A 67 -3.826 14.560 -1.035 1.00 0.00 O ATOM 955 CB TYR A 67 -4.017 12.723 1.904 1.00 0.00 C ATOM 956 CG TYR A 67 -3.355 12.201 3.159 1.00 0.00 C ATOM 957 CD1 TYR A 67 -2.808 13.070 4.070 1.00 0.00 C ATOM 958 CD2 TYR A 67 -3.282 10.842 3.426 1.00 0.00 C ATOM 959 CE1 TYR A 67 -2.201 12.620 5.222 1.00 0.00 C ATOM 960 CE2 TYR A 67 -2.677 10.373 4.577 1.00 0.00 C ATOM 961 CZ TYR A 67 -2.137 11.268 5.473 1.00 0.00 C ATOM 962 OH TYR A 67 -1.533 10.816 6.626 1.00 0.00 O ATOM 0 H TYR A 67 -4.021 15.499 1.299 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.088 13.282 1.165 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.914 13.276 2.182 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.339 11.877 1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.855 14.132 3.879 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.705 10.139 2.723 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.778 13.324 5.924 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.628 9.312 4.772 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.991 10.025 6.423 1.00 0.00 H new ATOM 972 N GLU A 68 -3.547 12.335 -0.903 1.00 0.00 N ATOM 973 CA GLU A 68 -3.867 12.066 -2.294 1.00 0.00 C ATOM 974 C GLU A 68 -4.437 10.655 -2.417 1.00 0.00 C ATOM 975 O GLU A 68 -4.112 9.785 -1.610 1.00 0.00 O ATOM 976 CB GLU A 68 -2.594 12.221 -3.124 1.00 0.00 C ATOM 977 CG GLU A 68 -2.815 12.343 -4.618 1.00 0.00 C ATOM 978 CD GLU A 68 -1.541 12.751 -5.326 1.00 0.00 C ATOM 979 OE1 GLU A 68 -0.709 11.866 -5.620 1.00 0.00 O ATOM 980 OE2 GLU A 68 -1.344 13.966 -5.544 1.00 0.00 O ATOM 0 H GLU A 68 -3.337 11.499 -0.359 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.616 12.768 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.058 13.105 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.949 11.363 -2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.167 11.391 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.595 13.078 -4.814 1.00 0.00 H new ATOM 987 N TYR A 69 -5.285 10.425 -3.411 1.00 0.00 N ATOM 988 CA TYR A 69 -5.967 9.142 -3.530 1.00 0.00 C ATOM 989 C TYR A 69 -5.341 8.332 -4.633 1.00 0.00 C ATOM 990 O TYR A 69 -5.156 8.832 -5.739 1.00 0.00 O ATOM 991 CB TYR A 69 -7.453 9.335 -3.823 1.00 0.00 C ATOM 992 CG TYR A 69 -8.316 8.212 -3.295 1.00 0.00 C ATOM 993 CD1 TYR A 69 -8.276 7.880 -1.952 1.00 0.00 C ATOM 994 CD2 TYR A 69 -9.180 7.506 -4.121 1.00 0.00 C ATOM 995 CE1 TYR A 69 -9.064 6.878 -1.438 1.00 0.00 C ATOM 996 CE2 TYR A 69 -9.975 6.494 -3.616 1.00 0.00 C ATOM 997 CZ TYR A 69 -9.914 6.182 -2.273 1.00 0.00 C ATOM 998 OH TYR A 69 -10.707 5.177 -1.764 1.00 0.00 O ATOM 0 H TYR A 69 -5.516 11.101 -4.139 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.866 8.615 -2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.784 10.276 -3.383 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.596 9.419 -4.900 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.611 8.420 -1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.232 7.751 -5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.018 6.637 -0.386 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.641 5.950 -4.270 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.755 5.260 -0.789 1.00 0.00 H new ATOM 1008 N TRP A 70 -4.988 7.097 -4.334 1.00 0.00 N ATOM 1009 CA TRP A 70 -4.342 6.243 -5.307 1.00 0.00 C ATOM 1010 C TRP A 70 -5.132 4.957 -5.468 1.00 0.00 C ATOM 1011 O TRP A 70 -5.808 4.527 -4.541 1.00 0.00 O ATOM 1012 CB TRP A 70 -2.905 5.953 -4.870 1.00 0.00 C ATOM 1013 CG TRP A 70 -1.998 7.147 -4.969 1.00 0.00 C ATOM 1014 CD1 TRP A 70 -2.317 8.445 -4.811 1.00 0.00 C ATOM 1015 CD2 TRP A 70 -0.611 7.140 -5.239 1.00 0.00 C ATOM 1016 NE1 TRP A 70 -1.213 9.225 -4.985 1.00 0.00 N ATOM 1017 CE2 TRP A 70 -0.159 8.449 -5.244 1.00 0.00 C ATOM 1018 CE3 TRP A 70 0.264 6.148 -5.481 1.00 0.00 C ATOM 1019 CZ2 TRP A 70 1.157 8.790 -5.481 1.00 0.00 C ATOM 1020 CZ3 TRP A 70 1.587 6.453 -5.719 1.00 0.00 C ATOM 1021 CH2 TRP A 70 2.020 7.777 -5.716 1.00 0.00 C ATOM 0 H TRP A 70 -5.139 6.664 -3.423 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.311 6.749 -6.272 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.912 5.596 -3.840 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.502 5.148 -5.484 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.305 8.815 -4.580 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.195 10.243 -4.926 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.067 5.120 -5.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.482 9.820 -5.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.294 5.659 -5.909 1.00 0.00 H new ATOM 0 HH2 TRP A 70 3.060 7.997 -5.904 1.00 0.00 H new ATOM 1032 N THR A 71 -5.066 4.358 -6.641 1.00 0.00 N ATOM 1033 CA THR A 71 -5.811 3.142 -6.918 1.00 0.00 C ATOM 1034 C THR A 71 -4.901 2.083 -7.514 1.00 0.00 C ATOM 1035 O THR A 71 -3.941 2.411 -8.221 1.00 0.00 O ATOM 1036 CB THR A 71 -6.982 3.425 -7.881 1.00 0.00 C ATOM 1037 OG1 THR A 71 -6.550 4.288 -8.942 1.00 0.00 O ATOM 1038 CG2 THR A 71 -8.151 4.057 -7.142 1.00 0.00 C ATOM 0 H THR A 71 -4.502 4.694 -7.422 1.00 0.00 H new ATOM 0 HA THR A 71 -6.214 2.773 -5.975 1.00 0.00 H new ATOM 0 HB THR A 71 -7.314 2.476 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.300 4.461 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.964 4.247 -7.842 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.496 3.380 -6.360 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.832 4.997 -6.693 1.00 0.00 H new ATOM 1046 N PHE A 72 -5.174 0.817 -7.221 1.00 0.00 N ATOM 1047 CA PHE A 72 -4.385 -0.258 -7.791 1.00 0.00 C ATOM 1048 C PHE A 72 -5.122 -1.592 -7.721 1.00 0.00 C ATOM 1049 O PHE A 72 -5.828 -1.877 -6.755 1.00 0.00 O ATOM 1050 CB PHE A 72 -3.007 -0.358 -7.106 1.00 0.00 C ATOM 1051 CG PHE A 72 -3.007 -1.022 -5.751 1.00 0.00 C ATOM 1052 CD1 PHE A 72 -3.888 -0.631 -4.756 1.00 0.00 C ATOM 1053 CD2 PHE A 72 -2.111 -2.040 -5.477 1.00 0.00 C ATOM 1054 CE1 PHE A 72 -3.878 -1.244 -3.516 1.00 0.00 C ATOM 1055 CE2 PHE A 72 -2.096 -2.654 -4.241 1.00 0.00 C ATOM 1056 CZ PHE A 72 -2.981 -2.258 -3.259 1.00 0.00 C ATOM 0 H PHE A 72 -5.926 0.516 -6.600 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.226 -0.022 -8.843 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.333 -0.908 -7.762 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.599 0.647 -7.000 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.593 0.164 -4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.415 -2.358 -6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.572 -0.929 -2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.390 -3.446 -4.042 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.971 -2.741 -2.293 1.00 0.00 H new ATOM 1066 N SER A 73 -4.962 -2.390 -8.764 1.00 0.00 N ATOM 1067 CA SER A 73 -5.546 -3.720 -8.820 1.00 0.00 C ATOM 1068 C SER A 73 -4.449 -4.743 -9.093 1.00 0.00 C ATOM 1069 O SER A 73 -3.481 -4.447 -9.792 1.00 0.00 O ATOM 1070 CB SER A 73 -6.619 -3.783 -9.908 1.00 0.00 C ATOM 1071 OG SER A 73 -7.626 -2.806 -9.686 1.00 0.00 O ATOM 0 H SER A 73 -4.425 -2.135 -9.593 1.00 0.00 H new ATOM 0 HA SER A 73 -6.017 -3.948 -7.864 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.162 -3.624 -10.885 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.068 -4.776 -9.924 1.00 0.00 H new ATOM 0 HG SER A 73 -8.300 -2.864 -10.395 1.00 0.00 H new ATOM 1077 N ALA A 74 -4.592 -5.938 -8.536 1.00 0.00 N ATOM 1078 CA ALA A 74 -3.550 -6.942 -8.637 1.00 0.00 C ATOM 1079 C ALA A 74 -4.111 -8.326 -8.910 1.00 0.00 C ATOM 1080 O ALA A 74 -4.799 -8.905 -8.069 1.00 0.00 O ATOM 1081 CB ALA A 74 -2.735 -6.965 -7.358 1.00 0.00 C ATOM 0 H ALA A 74 -5.417 -6.232 -8.013 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.916 -6.672 -9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.953 -7.721 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.280 -5.987 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.385 -7.204 -6.516 1.00 0.00 H new ATOM 1087 N SER A 75 -3.830 -8.855 -10.086 1.00 0.00 N ATOM 1088 CA SER A 75 -4.120 -10.247 -10.357 1.00 0.00 C ATOM 1089 C SER A 75 -3.036 -11.098 -9.712 1.00 0.00 C ATOM 1090 O SER A 75 -1.930 -11.214 -10.236 1.00 0.00 O ATOM 1091 CB SER A 75 -4.188 -10.513 -11.866 1.00 0.00 C ATOM 1092 OG SER A 75 -4.560 -11.857 -12.137 1.00 0.00 O ATOM 0 H SER A 75 -3.405 -8.346 -10.861 1.00 0.00 H new ATOM 0 HA SER A 75 -5.093 -10.504 -9.939 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.907 -9.835 -12.325 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.219 -10.303 -12.318 1.00 0.00 H new ATOM 0 HG SER A 75 -4.597 -11.997 -13.106 1.00 0.00 H new ATOM 1098 N VAL A 76 -3.344 -11.662 -8.560 1.00 0.00 N ATOM 1099 CA VAL A 76 -2.371 -12.451 -7.822 1.00 0.00 C ATOM 1100 C VAL A 76 -2.663 -13.931 -7.978 1.00 0.00 C ATOM 1101 O VAL A 76 -3.786 -14.322 -8.289 1.00 0.00 O ATOM 1102 CB VAL A 76 -2.360 -12.096 -6.317 1.00 0.00 C ATOM 1103 CG1 VAL A 76 -1.892 -10.670 -6.105 1.00 0.00 C ATOM 1104 CG2 VAL A 76 -3.738 -12.290 -5.705 1.00 0.00 C ATOM 0 H VAL A 76 -4.258 -11.590 -8.114 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.391 -12.217 -8.238 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.662 -12.770 -5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.892 -10.442 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.883 -10.556 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.564 -9.986 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.705 -12.034 -4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.455 -11.645 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.043 -13.330 -5.817 1.00 0.00 H new ATOM 1114 N LYS A 77 -1.637 -14.741 -7.789 1.00 0.00 N ATOM 1115 CA LYS A 77 -1.791 -16.188 -7.793 1.00 0.00 C ATOM 1116 C LYS A 77 -1.768 -16.706 -6.364 1.00 0.00 C ATOM 1117 O LYS A 77 -2.017 -17.883 -6.109 1.00 0.00 O ATOM 1118 CB LYS A 77 -0.691 -16.869 -8.627 1.00 0.00 C ATOM 1119 CG LYS A 77 0.730 -16.694 -8.094 1.00 0.00 C ATOM 1120 CD LYS A 77 1.255 -15.279 -8.295 1.00 0.00 C ATOM 1121 CE LYS A 77 2.710 -15.152 -7.872 1.00 0.00 C ATOM 1122 NZ LYS A 77 3.603 -16.001 -8.701 1.00 0.00 N ATOM 0 H LYS A 77 -0.682 -14.421 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.749 -16.430 -8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.911 -17.935 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.732 -16.477 -9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.749 -16.938 -7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.393 -17.399 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.156 -15.000 -9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.647 -14.580 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.022 -14.111 -7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.810 -15.435 -6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.589 -15.694 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.509 -16.994 -8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.337 -15.910 -9.702 1.00 0.00 H new ATOM 1136 N GLY A 78 -1.466 -15.807 -5.437 1.00 0.00 N ATOM 1137 CA GLY A 78 -1.428 -16.157 -4.038 1.00 0.00 C ATOM 1138 C GLY A 78 -0.889 -15.024 -3.195 1.00 0.00 C ATOM 1139 O GLY A 78 0.015 -14.308 -3.618 1.00 0.00 O ATOM 0 H GLY A 78 -1.245 -14.831 -5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.431 -16.417 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.806 -17.041 -3.900 1.00 0.00 H new ATOM 1143 N ILE A 79 -1.459 -14.845 -2.016 1.00 0.00 N ATOM 1144 CA ILE A 79 -0.999 -13.830 -1.080 1.00 0.00 C ATOM 1145 C ILE A 79 -1.488 -14.174 0.312 1.00 0.00 C ATOM 1146 O ILE A 79 -2.598 -14.682 0.490 1.00 0.00 O ATOM 1147 CB ILE A 79 -1.475 -12.413 -1.469 1.00 0.00 C ATOM 1148 CG1 ILE A 79 -0.946 -11.358 -0.488 1.00 0.00 C ATOM 1149 CG2 ILE A 79 -2.994 -12.352 -1.549 1.00 0.00 C ATOM 1150 CD1 ILE A 79 -1.483 -9.969 -0.747 1.00 0.00 C ATOM 0 H ILE A 79 -2.250 -15.395 -1.680 1.00 0.00 H new ATOM 0 HA ILE A 79 0.091 -13.822 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.069 -12.190 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.206 -11.656 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.142 -11.334 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.304 -11.344 -1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.347 -13.058 -2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.420 -12.610 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.067 -9.276 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.201 -9.651 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.570 -9.977 -0.661 1.00 0.00 H new ATOM 1162 N LYS A 80 -0.648 -13.922 1.290 1.00 0.00 N ATOM 1163 CA LYS A 80 -0.941 -14.319 2.658 1.00 0.00 C ATOM 1164 C LYS A 80 -0.943 -13.126 3.598 1.00 0.00 C ATOM 1165 O LYS A 80 -1.858 -12.958 4.403 1.00 0.00 O ATOM 1166 CB LYS A 80 0.075 -15.361 3.134 1.00 0.00 C ATOM 1167 CG LYS A 80 0.182 -16.579 2.219 1.00 0.00 C ATOM 1168 CD LYS A 80 -1.169 -17.232 1.960 1.00 0.00 C ATOM 1169 CE LYS A 80 -1.817 -17.740 3.237 1.00 0.00 C ATOM 1170 NZ LYS A 80 -3.107 -18.421 2.952 1.00 0.00 N ATOM 0 H LYS A 80 0.245 -13.444 1.169 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.940 -14.756 2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.055 -14.890 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.201 -15.693 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.625 -16.279 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.855 -17.309 2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.832 -16.512 1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.042 -18.062 1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.141 -18.432 3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.986 -16.906 3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.501 -18.802 3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.776 -17.739 2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.948 -19.199 2.281 1.00 0.00 H new ATOM 1184 N GLU A 81 0.074 -12.292 3.485 1.00 0.00 N ATOM 1185 CA GLU A 81 0.220 -11.147 4.373 1.00 0.00 C ATOM 1186 C GLU A 81 0.988 -10.064 3.647 1.00 0.00 C ATOM 1187 O GLU A 81 1.618 -10.355 2.635 1.00 0.00 O ATOM 1188 CB GLU A 81 0.960 -11.564 5.647 1.00 0.00 C ATOM 1189 CG GLU A 81 2.462 -11.704 5.462 1.00 0.00 C ATOM 1190 CD GLU A 81 3.158 -12.310 6.662 1.00 0.00 C ATOM 1191 OE1 GLU A 81 3.425 -11.581 7.640 1.00 0.00 O ATOM 1192 OE2 GLU A 81 3.454 -13.521 6.629 1.00 0.00 O ATOM 0 H GLU A 81 0.813 -12.384 2.788 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.762 -10.769 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.766 -10.828 6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.556 -12.514 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.657 -12.323 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.890 -10.722 5.260 1.00 0.00 H new ATOM 1199 N PHE A 82 0.931 -8.822 4.115 1.00 0.00 N ATOM 1200 CA PHE A 82 1.696 -7.775 3.461 1.00 0.00 C ATOM 1201 C PHE A 82 1.698 -6.475 4.244 1.00 0.00 C ATOM 1202 O PHE A 82 1.000 -6.324 5.246 1.00 0.00 O ATOM 1203 CB PHE A 82 1.159 -7.521 2.042 1.00 0.00 C ATOM 1204 CG PHE A 82 -0.193 -6.863 1.980 1.00 0.00 C ATOM 1205 CD1 PHE A 82 -1.353 -7.620 2.022 1.00 0.00 C ATOM 1206 CD2 PHE A 82 -0.299 -5.485 1.862 1.00 0.00 C ATOM 1207 CE1 PHE A 82 -2.592 -7.013 1.951 1.00 0.00 C ATOM 1208 CE2 PHE A 82 -1.534 -4.875 1.787 1.00 0.00 C ATOM 1209 CZ PHE A 82 -2.681 -5.639 1.835 1.00 0.00 C ATOM 0 H PHE A 82 0.380 -8.524 4.920 1.00 0.00 H new ATOM 0 HA PHE A 82 2.726 -8.129 3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.874 -6.898 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.107 -8.473 1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.288 -8.694 2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.596 -4.882 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.490 -7.612 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.602 -3.801 1.691 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.649 -5.163 1.782 1.00 0.00 H new ATOM 1219 N TYR A 83 2.491 -5.542 3.748 1.00 0.00 N ATOM 1220 CA TYR A 83 2.527 -4.181 4.243 1.00 0.00 C ATOM 1221 C TYR A 83 3.044 -3.301 3.110 1.00 0.00 C ATOM 1222 O TYR A 83 3.738 -3.789 2.218 1.00 0.00 O ATOM 1223 CB TYR A 83 3.393 -4.066 5.514 1.00 0.00 C ATOM 1224 CG TYR A 83 4.896 -4.126 5.308 1.00 0.00 C ATOM 1225 CD1 TYR A 83 5.482 -5.041 4.443 1.00 0.00 C ATOM 1226 CD2 TYR A 83 5.729 -3.261 6.001 1.00 0.00 C ATOM 1227 CE1 TYR A 83 6.856 -5.085 4.271 1.00 0.00 C ATOM 1228 CE2 TYR A 83 7.098 -3.301 5.836 1.00 0.00 C ATOM 1229 CZ TYR A 83 7.655 -4.212 4.968 1.00 0.00 C ATOM 1230 OH TYR A 83 9.018 -4.248 4.795 1.00 0.00 O ATOM 0 H TYR A 83 3.138 -5.713 2.978 1.00 0.00 H new ATOM 0 HA TYR A 83 1.531 -3.853 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.152 -3.125 6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 83 3.108 -4.867 6.196 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.856 -5.730 3.895 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.298 -2.543 6.683 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.296 -5.801 3.593 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.730 -2.620 6.386 1.00 0.00 H new ATOM 0 HH TYR A 83 9.367 -3.333 4.757 1.00 0.00 H new ATOM 1240 N ILE A 84 2.686 -2.035 3.107 1.00 0.00 N ATOM 1241 CA ILE A 84 2.976 -1.192 1.958 1.00 0.00 C ATOM 1242 C ILE A 84 4.302 -0.457 2.103 1.00 0.00 C ATOM 1243 O ILE A 84 4.751 -0.150 3.207 1.00 0.00 O ATOM 1244 CB ILE A 84 1.866 -0.155 1.692 1.00 0.00 C ATOM 1245 CG1 ILE A 84 0.480 -0.796 1.794 1.00 0.00 C ATOM 1246 CG2 ILE A 84 2.052 0.472 0.316 1.00 0.00 C ATOM 1247 CD1 ILE A 84 -0.589 0.006 1.092 1.00 0.00 C ATOM 0 H ILE A 84 2.201 -1.568 3.873 1.00 0.00 H new ATOM 0 HA ILE A 84 3.034 -1.876 1.111 1.00 0.00 H new ATOM 0 HB ILE A 84 1.939 0.623 2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.516 -1.798 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.213 -0.907 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.263 1.202 0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.022 0.967 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.005 -0.305 -0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.550 -0.497 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.649 1.000 1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.341 0.095 0.034 1.00 0.00 H new ATOM 1259 N LYS A 85 4.897 -0.170 0.957 1.00 0.00 N ATOM 1260 CA LYS A 85 6.134 0.580 0.861 1.00 0.00 C ATOM 1261 C LYS A 85 5.840 1.967 0.322 1.00 0.00 C ATOM 1262 O LYS A 85 5.402 2.118 -0.823 1.00 0.00 O ATOM 1263 CB LYS A 85 7.119 -0.118 -0.082 1.00 0.00 C ATOM 1264 CG LYS A 85 8.008 -1.156 0.575 1.00 0.00 C ATOM 1265 CD LYS A 85 9.131 -0.514 1.369 1.00 0.00 C ATOM 1266 CE LYS A 85 10.212 -1.525 1.713 1.00 0.00 C ATOM 1267 NZ LYS A 85 10.916 -2.023 0.500 1.00 0.00 N ATOM 0 H LYS A 85 4.525 -0.458 0.052 1.00 0.00 H new ATOM 0 HA LYS A 85 6.578 0.644 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.555 -0.598 -0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.751 0.638 -0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.408 -1.783 1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.430 -1.809 -0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.565 0.304 0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.730 -0.081 2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.934 -1.068 2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.766 -2.366 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.842 -2.412 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.346 -2.767 0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.053 -1.238 -0.169 1.00 0.00 H new ATOM 1281 N TYR A 86 6.054 2.972 1.145 1.00 0.00 N ATOM 1282 CA TYR A 86 5.920 4.343 0.702 1.00 0.00 C ATOM 1283 C TYR A 86 7.270 4.832 0.212 1.00 0.00 C ATOM 1284 O TYR A 86 8.146 5.178 1.010 1.00 0.00 O ATOM 1285 CB TYR A 86 5.393 5.228 1.831 1.00 0.00 C ATOM 1286 CG TYR A 86 5.094 6.645 1.400 1.00 0.00 C ATOM 1287 CD1 TYR A 86 4.421 6.904 0.217 1.00 0.00 C ATOM 1288 CD2 TYR A 86 5.482 7.723 2.178 1.00 0.00 C ATOM 1289 CE1 TYR A 86 4.147 8.195 -0.179 1.00 0.00 C ATOM 1290 CE2 TYR A 86 5.208 9.020 1.789 1.00 0.00 C ATOM 1291 CZ TYR A 86 4.540 9.248 0.608 1.00 0.00 C ATOM 1292 OH TYR A 86 4.270 10.535 0.205 1.00 0.00 O ATOM 0 H TYR A 86 6.321 2.865 2.124 1.00 0.00 H new ATOM 0 HA TYR A 86 5.199 4.395 -0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.485 4.782 2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 86 6.126 5.249 2.637 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.106 6.080 -0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.008 7.547 3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.624 8.378 -1.106 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.516 9.850 2.408 1.00 0.00 H new ATOM 0 HH TYR A 86 3.406 10.818 0.571 1.00 0.00 H new ATOM 1302 N GLU A 87 7.437 4.854 -1.098 1.00 0.00 N ATOM 1303 CA GLU A 87 8.716 5.151 -1.694 1.00 0.00 C ATOM 1304 C GLU A 87 8.695 6.550 -2.278 1.00 0.00 C ATOM 1305 O GLU A 87 7.994 6.830 -3.250 1.00 0.00 O ATOM 1306 CB GLU A 87 9.046 4.120 -2.770 1.00 0.00 C ATOM 1307 CG GLU A 87 10.522 4.060 -3.108 1.00 0.00 C ATOM 1308 CD GLU A 87 10.855 2.955 -4.088 1.00 0.00 C ATOM 1309 OE1 GLU A 87 10.829 1.766 -3.691 1.00 0.00 O ATOM 1310 OE2 GLU A 87 11.164 3.265 -5.256 1.00 0.00 O ATOM 0 H GLU A 87 6.693 4.667 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 87 9.490 5.104 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.717 3.137 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.482 4.354 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.833 5.017 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.094 3.912 -2.192 1.00 0.00 H new ATOM 1317 N VAL A 88 9.446 7.434 -1.663 1.00 0.00 N ATOM 1318 CA VAL A 88 9.470 8.819 -2.066 1.00 0.00 C ATOM 1319 C VAL A 88 10.802 9.124 -2.726 1.00 0.00 C ATOM 1320 O VAL A 88 11.779 8.409 -2.515 1.00 0.00 O ATOM 1321 CB VAL A 88 9.263 9.732 -0.834 1.00 0.00 C ATOM 1322 CG1 VAL A 88 9.021 11.178 -1.240 1.00 0.00 C ATOM 1323 CG2 VAL A 88 8.110 9.207 0.007 1.00 0.00 C ATOM 0 H VAL A 88 10.054 7.214 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 88 8.664 9.006 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 88 10.176 9.714 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.880 11.788 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.880 11.547 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.129 11.236 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.968 9.853 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.199 9.196 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.336 8.195 0.342 1.00 0.00 H new ATOM 1333 N SER A 89 10.849 10.191 -3.507 1.00 0.00 N ATOM 1334 CA SER A 89 12.078 10.620 -4.150 1.00 0.00 C ATOM 1335 C SER A 89 12.937 11.372 -3.133 1.00 0.00 C ATOM 1336 O SER A 89 13.639 12.329 -3.454 1.00 0.00 O ATOM 1337 CB SER A 89 11.748 11.490 -5.361 1.00 0.00 C ATOM 1338 OG SER A 89 12.894 11.760 -6.151 1.00 0.00 O ATOM 0 H SER A 89 10.042 10.780 -3.712 1.00 0.00 H new ATOM 0 HA SER A 89 12.642 9.757 -4.505 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.996 10.990 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.311 12.430 -5.024 1.00 0.00 H new ATOM 0 HG SER A 89 13.614 12.096 -5.578 1.00 0.00 H new ATOM 1344 N GLY A 90 12.833 10.923 -1.891 1.00 0.00 N ATOM 1345 CA GLY A 90 13.563 11.505 -0.800 1.00 0.00 C ATOM 1346 C GLY A 90 13.576 10.599 0.416 1.00 0.00 C ATOM 1347 O GLY A 90 14.626 10.362 1.008 1.00 0.00 O ATOM 0 H GLY A 90 12.235 10.142 -1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.587 11.706 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.117 12.463 -0.534 1.00 0.00 H new ATOM 1351 N LYS A 91 12.406 10.076 0.785 1.00 0.00 N ATOM 1352 CA LYS A 91 12.286 9.248 1.982 1.00 0.00 C ATOM 1353 C LYS A 91 11.630 7.914 1.694 1.00 0.00 C ATOM 1354 O LYS A 91 11.348 7.561 0.549 1.00 0.00 O ATOM 1355 CB LYS A 91 11.444 9.934 3.047 1.00 0.00 C ATOM 1356 CG LYS A 91 11.983 11.255 3.529 1.00 0.00 C ATOM 1357 CD LYS A 91 13.453 11.184 3.914 1.00 0.00 C ATOM 1358 CE LYS A 91 13.677 10.332 5.150 1.00 0.00 C ATOM 1359 NZ LYS A 91 15.120 10.224 5.489 1.00 0.00 N ATOM 0 H LYS A 91 11.533 10.211 0.274 1.00 0.00 H new ATOM 0 HA LYS A 91 13.307 9.093 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.441 10.090 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.349 9.264 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.852 12.003 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.402 11.588 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.026 10.774 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.829 12.191 4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.137 10.764 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.266 9.336 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.234 9.635 6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.632 9.789 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.506 11.172 5.671 1.00 0.00 H new ATOM 1373 N THR A 92 11.386 7.186 2.771 1.00 0.00 N ATOM 1374 CA THR A 92 10.665 5.918 2.721 1.00 0.00 C ATOM 1375 C THR A 92 9.926 5.682 4.032 1.00 0.00 C ATOM 1376 O THR A 92 10.443 5.978 5.109 1.00 0.00 O ATOM 1377 CB THR A 92 11.595 4.716 2.464 1.00 0.00 C ATOM 1378 OG1 THR A 92 12.521 5.030 1.412 1.00 0.00 O ATOM 1379 CG2 THR A 92 10.798 3.467 2.079 1.00 0.00 C ATOM 0 H THR A 92 11.682 7.456 3.709 1.00 0.00 H new ATOM 0 HA THR A 92 9.965 5.993 1.889 1.00 0.00 H new ATOM 0 HB THR A 92 12.136 4.510 3.387 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.110 4.263 1.255 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.483 2.638 1.905 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.114 3.209 2.887 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.229 3.664 1.171 1.00 0.00 H new ATOM 1387 N TYR A 93 8.727 5.148 3.926 1.00 0.00 N ATOM 1388 CA TYR A 93 7.918 4.801 5.089 1.00 0.00 C ATOM 1389 C TYR A 93 7.136 3.531 4.777 1.00 0.00 C ATOM 1390 O TYR A 93 7.409 2.859 3.781 1.00 0.00 O ATOM 1391 CB TYR A 93 6.945 5.933 5.464 1.00 0.00 C ATOM 1392 CG TYR A 93 7.578 7.295 5.595 1.00 0.00 C ATOM 1393 CD1 TYR A 93 8.232 7.686 6.754 1.00 0.00 C ATOM 1394 CD2 TYR A 93 7.509 8.186 4.549 1.00 0.00 C ATOM 1395 CE1 TYR A 93 8.801 8.941 6.861 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.073 9.446 4.639 1.00 0.00 C ATOM 1397 CZ TYR A 93 8.719 9.819 5.800 1.00 0.00 C ATOM 1398 OH TYR A 93 9.287 11.073 5.903 1.00 0.00 O ATOM 0 H TYR A 93 8.280 4.940 3.033 1.00 0.00 H new ATOM 0 HA TYR A 93 8.581 4.644 5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.161 5.984 4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.462 5.680 6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.298 7.000 7.585 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.004 7.896 3.639 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.307 9.233 7.770 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.008 10.132 3.807 1.00 0.00 H new ATOM 0 HH TYR A 93 9.142 11.567 5.069 1.00 0.00 H new ATOM 1408 N TYR A 94 6.147 3.231 5.598 1.00 0.00 N ATOM 1409 CA TYR A 94 5.400 1.985 5.482 1.00 0.00 C ATOM 1410 C TYR A 94 3.930 2.194 5.829 1.00 0.00 C ATOM 1411 O TYR A 94 3.571 3.171 6.490 1.00 0.00 O ATOM 1412 CB TYR A 94 5.939 0.923 6.449 1.00 0.00 C ATOM 1413 CG TYR A 94 7.346 0.417 6.198 1.00 0.00 C ATOM 1414 CD1 TYR A 94 7.690 -0.226 5.014 1.00 0.00 C ATOM 1415 CD2 TYR A 94 8.310 0.510 7.195 1.00 0.00 C ATOM 1416 CE1 TYR A 94 8.953 -0.758 4.831 1.00 0.00 C ATOM 1417 CE2 TYR A 94 9.579 -0.003 7.013 1.00 0.00 C ATOM 1418 CZ TYR A 94 9.897 -0.639 5.833 1.00 0.00 C ATOM 1419 OH TYR A 94 11.154 -1.178 5.668 1.00 0.00 O ATOM 0 H TYR A 94 5.838 3.836 6.359 1.00 0.00 H new ATOM 0 HA TYR A 94 5.510 1.655 4.449 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.901 1.333 7.458 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.262 0.069 6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.958 -0.311 4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.062 0.992 8.129 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.200 -1.264 3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.320 0.094 7.793 1.00 0.00 H new ATOM 0 HH TYR A 94 11.693 -1.003 6.468 1.00 0.00 H new ATOM 1429 N ASP A 95 3.097 1.267 5.380 1.00 0.00 N ATOM 1430 CA ASP A 95 1.747 1.110 5.913 1.00 0.00 C ATOM 1431 C ASP A 95 1.578 -0.334 6.343 1.00 0.00 C ATOM 1432 O ASP A 95 1.651 -1.249 5.523 1.00 0.00 O ATOM 1433 CB ASP A 95 0.660 1.484 4.905 1.00 0.00 C ATOM 1434 CG ASP A 95 -0.732 1.246 5.470 1.00 0.00 C ATOM 1435 OD1 ASP A 95 -1.038 1.782 6.557 1.00 0.00 O ATOM 1436 OD2 ASP A 95 -1.524 0.516 4.837 1.00 0.00 O ATOM 0 H ASP A 95 3.333 0.605 4.641 1.00 0.00 H new ATOM 0 HA ASP A 95 1.631 1.792 6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.766 2.532 4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.789 0.898 3.995 1.00 0.00 H new ATOM 1441 N ASN A 96 1.384 -0.536 7.630 1.00 0.00 N ATOM 1442 CA ASN A 96 1.405 -1.872 8.201 1.00 0.00 C ATOM 1443 C ASN A 96 0.429 -1.957 9.364 1.00 0.00 C ATOM 1444 O ASN A 96 -0.589 -2.642 9.282 1.00 0.00 O ATOM 1445 CB ASN A 96 2.841 -2.189 8.669 1.00 0.00 C ATOM 1446 CG ASN A 96 3.015 -3.555 9.325 1.00 0.00 C ATOM 1447 OD1 ASN A 96 2.117 -4.081 9.980 1.00 0.00 O ATOM 1448 ND2 ASN A 96 4.198 -4.129 9.173 1.00 0.00 N ATOM 0 H ASN A 96 1.209 0.209 8.304 1.00 0.00 H new ATOM 0 HA ASN A 96 1.101 -2.603 7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.510 -2.126 7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 96 3.156 -1.420 9.375 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.385 -5.034 9.605 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.922 -3.667 8.623 1.00 0.00 H new ATOM 1455 N ASN A 97 0.766 -1.219 10.420 1.00 0.00 N ATOM 1456 CA ASN A 97 0.079 -1.237 11.713 1.00 0.00 C ATOM 1457 C ASN A 97 1.080 -0.775 12.750 1.00 0.00 C ATOM 1458 O ASN A 97 0.882 0.209 13.458 1.00 0.00 O ATOM 1459 CB ASN A 97 -0.400 -2.646 12.093 1.00 0.00 C ATOM 1460 CG ASN A 97 -1.906 -2.739 12.203 1.00 0.00 C ATOM 1461 OD1 ASN A 97 -2.485 -2.503 13.266 1.00 0.00 O ATOM 1462 ND2 ASN A 97 -2.544 -3.098 11.108 1.00 0.00 N ATOM 0 H ASN A 97 1.552 -0.569 10.400 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.799 -0.594 11.660 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.049 -3.359 11.346 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.048 -2.934 13.044 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.560 -3.191 11.117 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.022 -3.283 10.251 1.00 0.00 H new ATOM 1469 N ASN A 98 2.178 -1.515 12.771 1.00 0.00 N ATOM 1470 CA ASN A 98 3.337 -1.258 13.613 1.00 0.00 C ATOM 1471 C ASN A 98 4.306 -2.403 13.379 1.00 0.00 C ATOM 1472 O ASN A 98 5.489 -2.200 13.118 1.00 0.00 O ATOM 1473 CB ASN A 98 2.964 -1.174 15.097 1.00 0.00 C ATOM 1474 CG ASN A 98 4.157 -0.848 15.977 1.00 0.00 C ATOM 1475 OD1 ASN A 98 5.100 -0.184 15.550 1.00 0.00 O ATOM 1476 ND2 ASN A 98 4.120 -1.311 17.214 1.00 0.00 N ATOM 0 H ASN A 98 2.291 -2.340 12.182 1.00 0.00 H new ATOM 0 HA ASN A 98 3.778 -0.295 13.354 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.197 -0.412 15.233 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.531 -2.123 15.414 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.892 -1.121 17.853 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.319 -1.858 17.530 1.00 0.00 H new ATOM 1483 N SER A 99 3.760 -3.611 13.457 1.00 0.00 N ATOM 1484 CA SER A 99 4.456 -4.826 13.063 1.00 0.00 C ATOM 1485 C SER A 99 3.458 -5.983 13.070 1.00 0.00 C ATOM 1486 O SER A 99 3.565 -6.917 13.871 1.00 0.00 O ATOM 1487 CB SER A 99 5.638 -5.114 13.998 1.00 0.00 C ATOM 1488 OG SER A 99 6.438 -6.179 13.504 1.00 0.00 O ATOM 0 H SER A 99 2.813 -3.774 13.799 1.00 0.00 H new ATOM 0 HA SER A 99 4.865 -4.702 12.060 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.248 -4.217 14.104 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.266 -5.366 14.991 1.00 0.00 H new ATOM 0 HG SER A 99 7.184 -6.340 14.118 1.00 0.00 H new ATOM 1494 N ALA A 100 2.475 -5.898 12.178 1.00 0.00 N ATOM 1495 CA ALA A 100 1.367 -6.847 12.155 1.00 0.00 C ATOM 1496 C ALA A 100 1.198 -7.475 10.776 1.00 0.00 C ATOM 1497 O ALA A 100 1.020 -8.689 10.664 1.00 0.00 O ATOM 1498 CB ALA A 100 0.083 -6.144 12.569 1.00 0.00 C ATOM 0 H ALA A 100 2.424 -5.177 11.458 1.00 0.00 H new ATOM 0 HA ALA A 100 1.590 -7.648 12.860 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.743 -6.855 12.551 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.196 -5.744 13.577 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.125 -5.329 11.876 1.00 0.00 H new ATOM 1504 N ASN A 101 1.261 -6.636 9.737 1.00 0.00 N ATOM 1505 CA ASN A 101 1.013 -7.062 8.351 1.00 0.00 C ATOM 1506 C ASN A 101 -0.461 -7.371 8.142 1.00 0.00 C ATOM 1507 O ASN A 101 -1.145 -7.860 9.040 1.00 0.00 O ATOM 1508 CB ASN A 101 1.863 -8.275 7.955 1.00 0.00 C ATOM 1509 CG ASN A 101 3.346 -7.964 7.932 1.00 0.00 C ATOM 1510 OD1 ASN A 101 3.753 -6.815 7.765 1.00 0.00 O ATOM 1511 ND2 ASN A 101 4.169 -8.989 8.059 1.00 0.00 N ATOM 0 H ASN A 101 1.484 -5.645 9.830 1.00 0.00 H new ATOM 0 HA ASN A 101 1.303 -6.232 7.707 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.677 -9.089 8.656 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.554 -8.625 6.970 1.00 0.00 H new ATOM 0 HD21 ASN A 101 5.177 -8.841 8.020 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.796 -9.928 8.196 1.00 0.00 H new ATOM 1518 N TYR A 102 -0.955 -7.061 6.958 1.00 0.00 N ATOM 1519 CA TYR A 102 -2.340 -7.332 6.618 1.00 0.00 C ATOM 1520 C TYR A 102 -2.499 -8.794 6.239 1.00 0.00 C ATOM 1521 O TYR A 102 -1.968 -9.237 5.221 1.00 0.00 O ATOM 1522 CB TYR A 102 -2.796 -6.440 5.461 1.00 0.00 C ATOM 1523 CG TYR A 102 -2.789 -4.965 5.791 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -3.894 -4.366 6.383 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -1.681 -4.172 5.514 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -3.896 -3.020 6.688 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -1.675 -2.824 5.820 1.00 0.00 C ATOM 1528 CZ TYR A 102 -2.785 -2.253 6.406 1.00 0.00 C ATOM 1529 OH TYR A 102 -2.787 -0.912 6.718 1.00 0.00 O ATOM 0 H TYR A 102 -0.416 -6.620 6.213 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.961 -7.114 7.487 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.148 -6.614 4.602 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.803 -6.732 5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.765 -4.963 6.608 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.811 -4.616 5.053 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.764 -2.569 7.146 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.806 -2.221 5.601 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.511 -0.393 5.934 1.00 0.00 H new ATOM 1539 N GLN A 103 -3.193 -9.544 7.085 1.00 0.00 N ATOM 1540 CA GLN A 103 -3.449 -10.953 6.823 1.00 0.00 C ATOM 1541 C GLN A 103 -4.601 -11.101 5.841 1.00 0.00 C ATOM 1542 O GLN A 103 -5.753 -10.819 6.176 1.00 0.00 O ATOM 1543 CB GLN A 103 -3.780 -11.697 8.120 1.00 0.00 C ATOM 1544 CG GLN A 103 -2.678 -12.631 8.612 1.00 0.00 C ATOM 1545 CD GLN A 103 -1.529 -11.920 9.314 1.00 0.00 C ATOM 1546 OE1 GLN A 103 -0.915 -12.472 10.222 1.00 0.00 O ATOM 1547 NE2 GLN A 103 -1.228 -10.698 8.906 1.00 0.00 N ATOM 0 H GLN A 103 -3.589 -9.199 7.959 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.547 -11.388 6.392 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -3.994 -10.965 8.899 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -4.690 -12.277 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.113 -13.360 9.296 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.282 -13.188 7.763 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.759 -10.268 8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.465 -10.186 9.349 1.00 0.00 H new ATOM 1556 N VAL A 104 -4.289 -11.548 4.636 1.00 0.00 N ATOM 1557 CA VAL A 104 -5.296 -11.688 3.602 1.00 0.00 C ATOM 1558 C VAL A 104 -6.089 -12.969 3.811 1.00 0.00 C ATOM 1559 O VAL A 104 -5.533 -14.002 4.194 1.00 0.00 O ATOM 1560 CB VAL A 104 -4.672 -11.703 2.194 1.00 0.00 C ATOM 1561 CG1 VAL A 104 -5.763 -11.683 1.138 1.00 0.00 C ATOM 1562 CG2 VAL A 104 -3.723 -10.527 2.014 1.00 0.00 C ATOM 0 H VAL A 104 -3.348 -11.819 4.352 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.957 -10.824 3.675 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.095 -12.621 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.310 -11.694 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.399 -12.560 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.364 -10.781 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.293 -10.556 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.271 -9.594 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.925 -10.587 2.754 1.00 0.00 H new ATOM 1572 N SER A 105 -7.380 -12.901 3.547 1.00 0.00 N ATOM 1573 CA SER A 105 -8.262 -14.028 3.784 1.00 0.00 C ATOM 1574 C SER A 105 -8.343 -14.884 2.528 1.00 0.00 C ATOM 1575 O SER A 105 -8.968 -14.496 1.540 1.00 0.00 O ATOM 1576 CB SER A 105 -9.651 -13.537 4.198 1.00 0.00 C ATOM 1577 OG SER A 105 -10.434 -14.595 4.726 1.00 0.00 O ATOM 0 H SER A 105 -7.842 -12.075 3.167 1.00 0.00 H new ATOM 0 HA SER A 105 -7.862 -14.634 4.597 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.553 -12.747 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.157 -13.102 3.336 1.00 0.00 H new ATOM 0 HG SER A 105 -11.315 -14.253 4.984 1.00 0.00 H new ATOM 1583 N THR A 106 -7.695 -16.038 2.568 1.00 0.00 N ATOM 1584 CA THR A 106 -7.603 -16.895 1.402 1.00 0.00 C ATOM 1585 C THR A 106 -8.749 -17.907 1.378 1.00 0.00 C ATOM 1586 O THR A 106 -8.550 -19.048 1.843 1.00 0.00 O ATOM 1587 CB THR A 106 -6.255 -17.644 1.381 1.00 0.00 C ATOM 1588 OG1 THR A 106 -5.206 -16.784 1.862 1.00 0.00 O ATOM 1589 CG2 THR A 106 -5.918 -18.105 -0.028 1.00 0.00 C ATOM 1590 OXT THR A 106 -9.846 -17.558 0.895 1.00 0.00 O ATOM 0 H THR A 106 -7.225 -16.401 3.398 1.00 0.00 H new ATOM 0 HA THR A 106 -7.673 -16.260 0.518 1.00 0.00 H new ATOM 0 HB THR A 106 -6.341 -18.517 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.264 -16.711 2.838 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.963 -18.631 -0.020 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.699 -18.775 -0.388 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.850 -17.240 -0.687 1.00 0.00 H new