USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 641 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 71 GLN : amide:sc= 1.25 K(o=1.3,f=-2.5!) USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 13 ASN : amide:sc= 0.637 K(o=0.64,f=-7.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 69:sc= 1.23 USER MOD Single : A 37 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.2!) USER MOD Single : A 40 GLN : amide:sc= 0.444 K(o=0.44,f=-1.2) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.0926 F(o=-0.87,f=-0.093) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= -2! (180deg=-2.5!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.18) USER MOD Single : A 56 HIS : no HD1:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 59 TYR OH : rot -110:sc= -0.313 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0492) USER MOD Single : A 73 THR OG1 : rot 43:sc= 1.28 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.69) USER MOD Single : A 83 THR OG1 : rot -15:sc= 0.733 USER MOD Single : A 85 SER OG : rot -17:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -20.873 12.134 7.973 1.00 0.00 N ATOM 58 CA GLU A 5 -20.076 10.890 7.992 1.00 0.00 C ATOM 59 C GLU A 5 -20.763 9.764 7.181 1.00 0.00 C ATOM 60 O GLU A 5 -20.122 9.055 6.404 1.00 0.00 O ATOM 61 CB GLU A 5 -19.930 10.464 9.460 1.00 0.00 C ATOM 62 CG GLU A 5 -19.269 11.494 10.387 1.00 0.00 C ATOM 63 CD GLU A 5 -17.743 11.401 10.438 1.00 0.00 C ATOM 64 OE1 GLU A 5 -17.154 11.139 9.366 1.00 0.00 O ATOM 65 OE2 GLU A 5 -17.205 11.564 11.552 1.00 0.00 O ATOM 0 HA GLU A 5 -19.104 11.068 7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -20.920 10.231 9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -19.348 9.543 9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -19.550 12.495 10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.664 11.366 11.395 1.00 0.00 H new ATOM 72 N ALA A 6 -22.018 9.505 7.547 1.00 0.00 N ATOM 73 CA ALA A 6 -22.955 8.594 6.857 1.00 0.00 C ATOM 74 C ALA A 6 -23.556 9.161 5.553 1.00 0.00 C ATOM 75 O ALA A 6 -23.273 10.290 5.155 1.00 0.00 O ATOM 76 CB ALA A 6 -24.069 8.272 7.862 1.00 0.00 C ATOM 0 H ALA A 6 -22.436 9.940 8.369 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.404 7.708 6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -24.792 7.599 7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -23.638 7.794 8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -24.569 9.194 8.158 1.00 0.00 H new ATOM 82 N GLN A 7 -24.407 8.333 4.935 1.00 0.00 N ATOM 83 CA GLN A 7 -25.246 8.663 3.764 1.00 0.00 C ATOM 84 C GLN A 7 -26.279 7.530 3.552 1.00 0.00 C ATOM 85 O GLN A 7 -27.162 7.394 4.392 1.00 0.00 O ATOM 86 CB GLN A 7 -24.399 8.979 2.519 1.00 0.00 C ATOM 87 CG GLN A 7 -25.193 9.863 1.550 1.00 0.00 C ATOM 88 CD GLN A 7 -24.403 10.261 0.301 1.00 0.00 C ATOM 89 OE1 GLN A 7 -23.603 9.521 -0.252 1.00 0.00 O ATOM 90 NE2 GLN A 7 -24.614 11.474 -0.159 1.00 0.00 N ATOM 0 H GLN A 7 -24.539 7.371 5.247 1.00 0.00 H new ATOM 0 HA GLN A 7 -25.799 9.583 3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -23.480 9.485 2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -24.108 8.053 2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -26.097 9.335 1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -25.512 10.765 2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -25.283 12.087 0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -24.109 11.802 -0.982 1.00 0.00 H new ATOM 99 N TYR A 8 -26.037 6.600 2.621 1.00 0.00 N ATOM 100 CA TYR A 8 -26.945 5.457 2.343 1.00 0.00 C ATOM 101 C TYR A 8 -27.171 4.486 3.523 1.00 0.00 C ATOM 102 O TYR A 8 -28.306 4.167 3.854 1.00 0.00 O ATOM 103 CB TYR A 8 -26.444 4.717 1.090 1.00 0.00 C ATOM 104 CG TYR A 8 -27.262 3.489 0.653 1.00 0.00 C ATOM 105 CD1 TYR A 8 -28.644 3.415 0.819 1.00 0.00 C ATOM 106 CD2 TYR A 8 -26.594 2.421 0.066 1.00 0.00 C ATOM 107 CE1 TYR A 8 -29.341 2.289 0.407 1.00 0.00 C ATOM 108 CE2 TYR A 8 -27.286 1.292 -0.351 1.00 0.00 C ATOM 109 CZ TYR A 8 -28.664 1.228 -0.179 1.00 0.00 C ATOM 110 OH TYR A 8 -29.353 0.123 -0.559 1.00 0.00 O ATOM 0 H TYR A 8 -25.205 6.610 2.031 1.00 0.00 H new ATOM 0 HA TYR A 8 -27.934 5.883 2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -26.419 5.425 0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -25.417 4.399 1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -29.175 4.239 1.271 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -25.523 2.470 -0.067 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -30.411 2.237 0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -26.757 0.468 -0.806 1.00 0.00 H new ATOM 0 HH TYR A 8 -28.736 -0.528 -0.953 1.00 0.00 H new ATOM 120 N VAL A 9 -26.069 3.930 4.029 1.00 0.00 N ATOM 121 CA VAL A 9 -26.004 2.993 5.183 1.00 0.00 C ATOM 122 C VAL A 9 -26.883 1.726 5.014 1.00 0.00 C ATOM 123 O VAL A 9 -27.902 1.547 5.679 1.00 0.00 O ATOM 124 CB VAL A 9 -26.302 3.688 6.539 1.00 0.00 C ATOM 125 CG1 VAL A 9 -25.803 2.838 7.713 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.731 5.104 6.677 1.00 0.00 C ATOM 0 H VAL A 9 -25.147 4.121 3.636 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.967 2.656 5.197 1.00 0.00 H new ATOM 0 HB VAL A 9 -27.388 3.784 6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.024 3.347 8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -26.303 1.870 7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.726 2.692 7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.990 5.507 7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.646 5.071 6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.150 5.743 5.899 1.00 0.00 H new ATOM 136 N ALA A 10 -26.449 0.839 4.120 1.00 0.00 N ATOM 137 CA ALA A 10 -27.014 -0.524 4.011 1.00 0.00 C ATOM 138 C ALA A 10 -25.908 -1.596 4.100 1.00 0.00 C ATOM 139 O ALA A 10 -25.136 -1.731 3.148 1.00 0.00 O ATOM 140 CB ALA A 10 -27.827 -0.662 2.720 1.00 0.00 C ATOM 0 H ALA A 10 -25.703 1.033 3.452 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.687 -0.685 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -28.236 -1.670 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -28.642 0.061 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -27.181 -0.475 1.862 1.00 0.00 H new ATOM 146 N PRO A 11 -25.705 -2.196 5.290 1.00 0.00 N ATOM 147 CA PRO A 11 -24.642 -3.196 5.536 1.00 0.00 C ATOM 148 C PRO A 11 -24.864 -4.538 4.811 1.00 0.00 C ATOM 149 O PRO A 11 -25.457 -4.570 3.733 1.00 0.00 O ATOM 150 CB PRO A 11 -24.578 -3.299 7.065 1.00 0.00 C ATOM 151 CG PRO A 11 -26.015 -3.027 7.501 1.00 0.00 C ATOM 152 CD PRO A 11 -26.473 -1.941 6.526 1.00 0.00 C ATOM 0 HA PRO A 11 -23.684 -2.890 5.115 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.241 -4.284 7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.886 -2.571 7.488 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -26.634 -3.921 7.429 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -26.065 -2.687 8.536 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.546 -2.000 6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.270 -0.945 6.919 1.00 0.00 H new ATOM 160 N THR A 12 -24.292 -5.619 5.345 1.00 0.00 N ATOM 161 CA THR A 12 -24.384 -6.968 4.733 1.00 0.00 C ATOM 162 C THR A 12 -24.086 -8.051 5.786 1.00 0.00 C ATOM 163 O THR A 12 -24.987 -8.465 6.511 1.00 0.00 O ATOM 164 CB THR A 12 -23.455 -7.165 3.512 1.00 0.00 C ATOM 165 OG1 THR A 12 -23.232 -5.942 2.804 1.00 0.00 O ATOM 166 CG2 THR A 12 -24.037 -8.211 2.558 1.00 0.00 C ATOM 0 H THR A 12 -23.752 -5.596 6.210 1.00 0.00 H new ATOM 0 HA THR A 12 -25.406 -7.061 4.367 1.00 0.00 H new ATOM 0 HB THR A 12 -22.495 -7.513 3.894 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.640 -6.109 2.041 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.370 -8.336 1.705 1.00 0.00 H new ATOM 0 HG22 THR A 12 -24.141 -9.162 3.080 1.00 0.00 H new ATOM 0 HG23 THR A 12 -25.015 -7.880 2.208 1.00 0.00 H new ATOM 174 N ASN A 13 -22.803 -8.363 5.976 1.00 0.00 N ATOM 175 CA ASN A 13 -22.353 -9.423 6.899 1.00 0.00 C ATOM 176 C ASN A 13 -21.690 -8.831 8.158 1.00 0.00 C ATOM 177 O ASN A 13 -21.514 -7.615 8.264 1.00 0.00 O ATOM 178 CB ASN A 13 -21.394 -10.359 6.136 1.00 0.00 C ATOM 179 CG ASN A 13 -19.997 -9.789 5.842 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.720 -8.602 5.948 1.00 0.00 O ATOM 181 ND2 ASN A 13 -19.046 -10.668 5.623 1.00 0.00 N ATOM 0 H ASN A 13 -22.038 -7.889 5.495 1.00 0.00 H new ATOM 0 HA ASN A 13 -23.214 -9.994 7.248 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -21.277 -11.277 6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.860 -10.633 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.077 -10.361 5.541 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.277 -11.658 5.535 1.00 0.00 H new ATOM 188 N ALA A 14 -21.198 -9.729 9.012 1.00 0.00 N ATOM 189 CA ALA A 14 -20.418 -9.389 10.220 1.00 0.00 C ATOM 190 C ALA A 14 -19.306 -8.360 9.950 1.00 0.00 C ATOM 191 O ALA A 14 -19.439 -7.235 10.415 1.00 0.00 O ATOM 192 CB ALA A 14 -19.835 -10.664 10.836 1.00 0.00 C ATOM 0 H ALA A 14 -21.328 -10.733 8.889 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.104 -8.919 10.925 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.261 -10.408 11.726 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.646 -11.340 11.109 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.183 -11.153 10.112 1.00 0.00 H new ATOM 198 N VAL A 15 -18.467 -8.630 8.946 1.00 0.00 N ATOM 199 CA VAL A 15 -17.338 -7.757 8.535 1.00 0.00 C ATOM 200 C VAL A 15 -17.818 -6.325 8.218 1.00 0.00 C ATOM 201 O VAL A 15 -17.412 -5.376 8.887 1.00 0.00 O ATOM 202 CB VAL A 15 -16.588 -8.392 7.343 1.00 0.00 C ATOM 203 CG1 VAL A 15 -15.445 -7.511 6.830 1.00 0.00 C ATOM 204 CG2 VAL A 15 -16.006 -9.761 7.716 1.00 0.00 C ATOM 0 H VAL A 15 -18.546 -9.474 8.379 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.641 -7.673 9.369 1.00 0.00 H new ATOM 0 HB VAL A 15 -17.332 -8.501 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.952 -8.005 5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.845 -6.552 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.724 -7.348 7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -15.485 -10.181 6.856 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.306 -9.646 8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.813 -10.431 8.014 1.00 0.00 H new ATOM 214 N GLU A 16 -18.797 -6.242 7.314 1.00 0.00 N ATOM 215 CA GLU A 16 -19.460 -4.987 6.902 1.00 0.00 C ATOM 216 C GLU A 16 -19.929 -4.152 8.108 1.00 0.00 C ATOM 217 O GLU A 16 -19.345 -3.108 8.391 1.00 0.00 O ATOM 218 CB GLU A 16 -20.643 -5.316 5.982 1.00 0.00 C ATOM 219 CG GLU A 16 -20.219 -5.694 4.558 1.00 0.00 C ATOM 220 CD GLU A 16 -20.026 -4.476 3.647 1.00 0.00 C ATOM 221 OE1 GLU A 16 -20.893 -3.575 3.703 1.00 0.00 O ATOM 222 OE2 GLU A 16 -19.020 -4.473 2.911 1.00 0.00 O ATOM 0 H GLU A 16 -19.165 -7.062 6.832 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.731 -4.381 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.212 -6.139 6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.310 -4.455 5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.289 -6.260 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.972 -6.351 4.123 1.00 0.00 H new ATOM 229 N SER A 17 -20.805 -4.751 8.916 1.00 0.00 N ATOM 230 CA SER A 17 -21.404 -4.112 10.109 1.00 0.00 C ATOM 231 C SER A 17 -20.388 -3.788 11.219 1.00 0.00 C ATOM 232 O SER A 17 -20.320 -2.648 11.675 1.00 0.00 O ATOM 233 CB SER A 17 -22.514 -5.002 10.679 1.00 0.00 C ATOM 234 OG SER A 17 -23.486 -5.284 9.664 1.00 0.00 O ATOM 0 H SER A 17 -21.129 -5.707 8.766 1.00 0.00 H new ATOM 0 HA SER A 17 -21.809 -3.159 9.768 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.088 -5.932 11.055 1.00 0.00 H new ATOM 0 HB3 SER A 17 -22.992 -4.506 11.524 1.00 0.00 H new ATOM 0 HG SER A 17 -24.191 -5.854 10.036 1.00 0.00 H new ATOM 240 N LYS A 18 -19.508 -4.748 11.506 1.00 0.00 N ATOM 241 CA LYS A 18 -18.441 -4.656 12.528 1.00 0.00 C ATOM 242 C LYS A 18 -17.515 -3.465 12.235 1.00 0.00 C ATOM 243 O LYS A 18 -17.496 -2.499 12.996 1.00 0.00 O ATOM 244 CB LYS A 18 -17.637 -5.965 12.523 1.00 0.00 C ATOM 245 CG LYS A 18 -16.651 -6.127 13.685 1.00 0.00 C ATOM 246 CD LYS A 18 -17.366 -6.520 14.979 1.00 0.00 C ATOM 247 CE LYS A 18 -16.348 -6.826 16.080 1.00 0.00 C ATOM 248 NZ LYS A 18 -17.014 -7.361 17.277 1.00 0.00 N ATOM 0 H LYS A 18 -19.511 -5.646 11.022 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.890 -4.502 13.509 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.335 -6.802 12.540 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.084 -6.030 11.586 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.911 -6.887 13.432 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.110 -5.193 13.837 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.024 -5.712 15.298 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.995 -7.393 14.804 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.616 -7.546 15.714 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.802 -5.919 16.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.303 -7.561 18.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.695 -6.662 17.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.515 -8.239 17.032 1.00 0.00 H new ATOM 262 N LEU A 19 -16.906 -3.474 11.050 1.00 0.00 N ATOM 263 CA LEU A 19 -16.014 -2.381 10.627 1.00 0.00 C ATOM 264 C LEU A 19 -16.730 -1.043 10.407 1.00 0.00 C ATOM 265 O LEU A 19 -16.200 -0.021 10.830 1.00 0.00 O ATOM 266 CB LEU A 19 -15.130 -2.758 9.430 1.00 0.00 C ATOM 267 CG LEU A 19 -13.896 -3.625 9.740 1.00 0.00 C ATOM 268 CD1 LEU A 19 -13.007 -2.996 10.819 1.00 0.00 C ATOM 269 CD2 LEU A 19 -14.250 -5.079 10.063 1.00 0.00 C ATOM 0 H LEU A 19 -17.010 -4.221 10.363 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.350 -2.227 11.477 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.746 -3.287 8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.791 -1.839 8.952 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.312 -3.656 8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.149 -3.642 11.005 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.660 -2.020 10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.579 -2.879 11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.338 -5.638 10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.902 -5.109 10.936 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.762 -5.527 9.211 1.00 0.00 H new ATOM 281 N ALA A 20 -17.979 -1.070 9.935 1.00 0.00 N ATOM 282 CA ALA A 20 -18.835 0.138 9.887 1.00 0.00 C ATOM 283 C ALA A 20 -19.007 0.781 11.277 1.00 0.00 C ATOM 284 O ALA A 20 -18.755 1.974 11.441 1.00 0.00 O ATOM 285 CB ALA A 20 -20.204 -0.191 9.284 1.00 0.00 C ATOM 0 H ALA A 20 -18.429 -1.913 9.578 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.330 0.862 9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.816 0.710 9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -20.074 -0.570 8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.698 -0.948 9.894 1.00 0.00 H new ATOM 291 N GLU A 21 -19.271 -0.059 12.282 1.00 0.00 N ATOM 292 CA GLU A 21 -19.319 0.328 13.707 1.00 0.00 C ATOM 293 C GLU A 21 -17.964 0.878 14.196 1.00 0.00 C ATOM 294 O GLU A 21 -17.905 2.004 14.689 1.00 0.00 O ATOM 295 CB GLU A 21 -19.770 -0.885 14.532 1.00 0.00 C ATOM 296 CG GLU A 21 -20.003 -0.566 16.014 1.00 0.00 C ATOM 297 CD GLU A 21 -20.353 -1.815 16.833 1.00 0.00 C ATOM 298 OE1 GLU A 21 -19.666 -2.847 16.656 1.00 0.00 O ATOM 299 OE2 GLU A 21 -21.276 -1.694 17.667 1.00 0.00 O ATOM 0 H GLU A 21 -19.462 -1.049 12.131 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.038 1.138 13.835 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.691 -1.282 14.105 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.017 -1.669 14.452 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.108 -0.102 16.428 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.809 0.162 16.104 1.00 0.00 H new ATOM 306 N ILE A 22 -16.887 0.146 13.902 1.00 0.00 N ATOM 307 CA ILE A 22 -15.497 0.549 14.219 1.00 0.00 C ATOM 308 C ILE A 22 -15.189 1.945 13.640 1.00 0.00 C ATOM 309 O ILE A 22 -14.978 2.882 14.407 1.00 0.00 O ATOM 310 CB ILE A 22 -14.501 -0.539 13.742 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.745 -1.904 14.417 1.00 0.00 C ATOM 312 CG2 ILE A 22 -13.024 -0.125 13.845 1.00 0.00 C ATOM 313 CD1 ILE A 22 -14.741 -1.926 15.954 1.00 0.00 C ATOM 0 H ILE A 22 -16.947 -0.757 13.431 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.381 0.632 15.300 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.711 -0.652 12.678 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -15.707 -2.286 14.074 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.982 -2.599 14.065 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.392 -0.940 13.492 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.851 0.760 13.232 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.781 0.100 14.883 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -14.923 -2.942 16.304 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -13.773 -1.584 16.320 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -15.524 -1.267 16.329 1.00 0.00 H new ATOM 325 N TRP A 23 -15.401 2.105 12.334 1.00 0.00 N ATOM 326 CA TRP A 23 -15.193 3.377 11.617 1.00 0.00 C ATOM 327 C TRP A 23 -15.998 4.542 12.202 1.00 0.00 C ATOM 328 O TRP A 23 -15.393 5.459 12.752 1.00 0.00 O ATOM 329 CB TRP A 23 -15.468 3.218 10.114 1.00 0.00 C ATOM 330 CG TRP A 23 -14.483 2.270 9.417 1.00 0.00 C ATOM 331 CD1 TRP A 23 -14.819 1.287 8.582 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.129 2.127 9.684 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.755 0.520 8.335 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.708 0.999 9.006 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.228 2.855 10.460 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.392 0.568 9.119 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -10.917 2.420 10.584 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.504 1.275 9.922 1.00 0.00 C ATOM 0 H TRP A 23 -15.726 1.350 11.731 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.142 3.632 11.754 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.482 2.845 9.974 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.420 4.197 9.637 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -15.804 1.134 8.167 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.745 -0.301 7.730 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.550 3.755 10.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.061 -0.311 8.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.219 2.973 11.195 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.486 0.930 10.030 1.00 0.00 H new ATOM 349 N GLU A 24 -17.310 4.349 12.340 1.00 0.00 N ATOM 350 CA GLU A 24 -18.214 5.389 12.883 1.00 0.00 C ATOM 351 C GLU A 24 -17.915 5.864 14.314 1.00 0.00 C ATOM 352 O GLU A 24 -18.349 6.953 14.687 1.00 0.00 O ATOM 353 CB GLU A 24 -19.686 4.999 12.732 1.00 0.00 C ATOM 354 CG GLU A 24 -20.174 3.769 13.504 1.00 0.00 C ATOM 355 CD GLU A 24 -21.536 3.253 13.021 1.00 0.00 C ATOM 356 OE1 GLU A 24 -21.916 3.570 11.868 1.00 0.00 O ATOM 357 OE2 GLU A 24 -22.181 2.554 13.829 1.00 0.00 O ATOM 0 H GLU A 24 -17.782 3.481 12.085 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.004 6.258 12.259 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.293 5.851 13.038 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.883 4.832 11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.436 2.972 13.409 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.241 4.016 14.563 1.00 0.00 H new ATOM 364 N ARG A 25 -17.361 4.950 15.109 1.00 0.00 N ATOM 365 CA ARG A 25 -16.840 5.210 16.461 1.00 0.00 C ATOM 366 C ARG A 25 -15.465 5.913 16.403 1.00 0.00 C ATOM 367 O ARG A 25 -15.371 7.113 16.657 1.00 0.00 O ATOM 368 CB ARG A 25 -16.765 3.847 17.160 1.00 0.00 C ATOM 369 CG ARG A 25 -16.597 3.915 18.676 1.00 0.00 C ATOM 370 CD ARG A 25 -16.424 2.491 19.207 1.00 0.00 C ATOM 371 NE ARG A 25 -16.503 2.473 20.677 1.00 0.00 N ATOM 372 CZ ARG A 25 -16.293 1.416 21.466 1.00 0.00 C ATOM 373 NH1 ARG A 25 -15.780 0.280 21.010 1.00 0.00 N ATOM 374 NH2 ARG A 25 -16.472 1.525 22.773 1.00 0.00 N ATOM 0 H ARG A 25 -17.256 3.976 14.826 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.489 5.887 17.016 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.673 3.288 16.934 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.931 3.284 16.741 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.731 4.524 18.935 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.467 4.387 19.133 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.195 1.845 18.788 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.463 2.091 18.884 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.741 3.352 21.137 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -15.531 0.192 20.025 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.635 -0.505 21.645 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -16.769 2.414 23.175 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.313 0.720 23.378 1.00 0.00 H new ATOM 388 N VAL A 26 -14.479 5.209 15.845 1.00 0.00 N ATOM 389 CA VAL A 26 -13.052 5.609 15.804 1.00 0.00 C ATOM 390 C VAL A 26 -12.817 6.952 15.078 1.00 0.00 C ATOM 391 O VAL A 26 -12.144 7.821 15.627 1.00 0.00 O ATOM 392 CB VAL A 26 -12.203 4.456 15.216 1.00 0.00 C ATOM 393 CG1 VAL A 26 -10.722 4.811 15.023 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.261 3.225 16.128 1.00 0.00 C ATOM 0 H VAL A 26 -14.647 4.312 15.390 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.726 5.790 16.828 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.639 4.256 14.237 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.193 3.953 14.608 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.636 5.656 14.339 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.283 5.077 15.985 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.658 2.425 15.698 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.872 3.483 17.113 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.294 2.890 16.222 1.00 0.00 H new ATOM 404 N LEU A 27 -13.480 7.148 13.939 1.00 0.00 N ATOM 405 CA LEU A 27 -13.330 8.365 13.113 1.00 0.00 C ATOM 406 C LEU A 27 -13.819 9.686 13.748 1.00 0.00 C ATOM 407 O LEU A 27 -13.426 10.767 13.310 1.00 0.00 O ATOM 408 CB LEU A 27 -13.893 8.097 11.704 1.00 0.00 C ATOM 409 CG LEU A 27 -15.178 8.814 11.262 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.400 8.510 9.784 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.417 8.389 12.057 1.00 0.00 C ATOM 0 H LEU A 27 -14.140 6.472 13.555 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.260 8.559 13.038 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.113 8.349 10.986 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.070 7.025 11.620 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.045 9.880 11.446 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.308 9.008 9.443 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.549 8.871 9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.502 7.434 9.645 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.288 8.934 11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.580 7.319 11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.266 8.611 13.113 1.00 0.00 H new ATOM 423 N GLY A 28 -14.599 9.542 14.827 1.00 0.00 N ATOM 424 CA GLY A 28 -15.281 10.658 15.513 1.00 0.00 C ATOM 425 C GLY A 28 -16.781 10.370 15.663 1.00 0.00 C ATOM 426 O GLY A 28 -17.600 10.868 14.892 1.00 0.00 O ATOM 0 H GLY A 28 -14.780 8.635 15.258 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.836 10.813 16.496 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.138 11.580 14.949 1.00 0.00 H new ATOM 430 N VAL A 29 -17.055 9.437 16.574 1.00 0.00 N ATOM 431 CA VAL A 29 -18.381 8.929 16.999 1.00 0.00 C ATOM 432 C VAL A 29 -19.620 9.706 16.504 1.00 0.00 C ATOM 433 O VAL A 29 -20.084 10.669 17.114 1.00 0.00 O ATOM 434 CB VAL A 29 -18.346 8.622 18.514 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.151 9.854 19.407 1.00 0.00 C ATOM 436 CG2 VAL A 29 -19.544 7.774 18.954 1.00 0.00 C ATOM 0 H VAL A 29 -16.302 8.972 17.081 1.00 0.00 H new ATOM 0 HA VAL A 29 -18.547 7.995 16.462 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.445 8.026 18.661 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.139 9.547 20.453 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.206 10.337 19.159 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.970 10.555 19.244 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.480 7.582 20.025 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -20.468 8.309 18.736 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.537 6.827 18.414 1.00 0.00 H new ATOM 446 N SER A 30 -20.063 9.291 15.321 1.00 0.00 N ATOM 447 CA SER A 30 -21.203 9.919 14.612 1.00 0.00 C ATOM 448 C SER A 30 -22.171 8.944 13.921 1.00 0.00 C ATOM 449 O SER A 30 -23.383 9.052 14.092 1.00 0.00 O ATOM 450 CB SER A 30 -20.730 10.918 13.548 1.00 0.00 C ATOM 451 OG SER A 30 -19.944 11.984 14.086 1.00 0.00 O ATOM 0 H SER A 30 -19.649 8.508 14.815 1.00 0.00 H new ATOM 0 HA SER A 30 -21.746 10.412 15.418 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.146 10.388 12.796 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.599 11.336 13.040 1.00 0.00 H new ATOM 0 HG SER A 30 -19.083 11.632 14.395 1.00 0.00 H new ATOM 457 N GLY A 31 -21.612 8.026 13.118 1.00 0.00 N ATOM 458 CA GLY A 31 -22.400 7.095 12.278 1.00 0.00 C ATOM 459 C GLY A 31 -21.991 7.217 10.802 1.00 0.00 C ATOM 460 O GLY A 31 -21.963 8.319 10.259 1.00 0.00 O ATOM 0 H GLY A 31 -20.603 7.904 13.029 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.247 6.071 12.619 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -23.463 7.312 12.385 1.00 0.00 H new ATOM 464 N ILE A 32 -21.625 6.085 10.198 1.00 0.00 N ATOM 465 CA ILE A 32 -21.143 6.040 8.796 1.00 0.00 C ATOM 466 C ILE A 32 -21.929 5.050 7.920 1.00 0.00 C ATOM 467 O ILE A 32 -22.624 4.165 8.416 1.00 0.00 O ATOM 468 CB ILE A 32 -19.623 5.799 8.647 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.114 4.475 9.229 1.00 0.00 C ATOM 470 CG2 ILE A 32 -18.811 6.980 9.175 1.00 0.00 C ATOM 471 CD1 ILE A 32 -18.966 3.389 8.161 1.00 0.00 C ATOM 0 H ILE A 32 -21.650 5.173 10.654 1.00 0.00 H new ATOM 0 HA ILE A 32 -21.336 7.048 8.430 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.467 5.713 7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -18.151 4.640 9.712 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.803 4.131 10.000 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -17.748 6.774 9.053 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -19.072 7.879 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.033 7.131 10.232 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -18.603 2.471 8.623 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -19.934 3.202 7.695 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -18.256 3.719 7.403 1.00 0.00 H new ATOM 483 N GLY A 33 -21.732 5.214 6.609 1.00 0.00 N ATOM 484 CA GLY A 33 -22.302 4.311 5.589 1.00 0.00 C ATOM 485 C GLY A 33 -21.229 3.386 5.002 1.00 0.00 C ATOM 486 O GLY A 33 -20.035 3.650 5.103 1.00 0.00 O ATOM 0 H GLY A 33 -21.174 5.974 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.097 3.713 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.754 4.900 4.791 1.00 0.00 H new ATOM 490 N ILE A 34 -21.687 2.315 4.364 1.00 0.00 N ATOM 491 CA ILE A 34 -20.818 1.394 3.588 1.00 0.00 C ATOM 492 C ILE A 34 -20.018 2.144 2.498 1.00 0.00 C ATOM 493 O ILE A 34 -18.836 1.882 2.293 1.00 0.00 O ATOM 494 CB ILE A 34 -21.685 0.257 3.006 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.542 -0.444 4.080 1.00 0.00 C ATOM 496 CG2 ILE A 34 -20.895 -0.754 2.160 1.00 0.00 C ATOM 497 CD1 ILE A 34 -21.849 -0.915 5.368 1.00 0.00 C ATOM 0 H ILE A 34 -22.671 2.047 4.361 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.072 0.957 4.251 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.370 0.752 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.344 0.238 4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -23.011 -1.313 3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.571 -1.522 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.429 -0.240 1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.123 -1.218 2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.581 -1.387 6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.068 -1.633 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.406 -0.059 5.877 1.00 0.00 H new ATOM 509 N LEU A 35 -20.691 3.085 1.839 1.00 0.00 N ATOM 510 CA LEU A 35 -20.082 4.102 0.949 1.00 0.00 C ATOM 511 C LEU A 35 -19.043 5.015 1.630 1.00 0.00 C ATOM 512 O LEU A 35 -18.188 5.601 0.971 1.00 0.00 O ATOM 513 CB LEU A 35 -21.186 4.994 0.351 1.00 0.00 C ATOM 514 CG LEU A 35 -21.937 4.463 -0.884 1.00 0.00 C ATOM 515 CD1 LEU A 35 -20.990 4.236 -2.065 1.00 0.00 C ATOM 516 CD2 LEU A 35 -22.777 3.216 -0.587 1.00 0.00 C ATOM 0 H LEU A 35 -21.705 3.173 1.904 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.551 3.535 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.920 5.190 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -20.738 5.952 0.086 1.00 0.00 H new ATOM 0 HG LEU A 35 -22.643 5.243 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -21.556 3.861 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.510 5.177 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.229 3.507 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -23.281 2.891 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.128 2.418 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -23.520 3.451 0.175 1.00 0.00 H new ATOM 528 N ASP A 36 -19.132 5.090 2.960 1.00 0.00 N ATOM 529 CA ASP A 36 -18.345 5.973 3.843 1.00 0.00 C ATOM 530 C ASP A 36 -18.507 7.459 3.459 1.00 0.00 C ATOM 531 O ASP A 36 -19.555 7.860 2.956 1.00 0.00 O ATOM 532 CB ASP A 36 -16.887 5.476 3.860 1.00 0.00 C ATOM 533 CG ASP A 36 -16.727 4.122 4.565 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.532 4.166 5.798 1.00 0.00 O ATOM 535 OD2 ASP A 36 -16.854 3.079 3.885 1.00 0.00 O ATOM 0 H ASP A 36 -19.787 4.509 3.483 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.722 5.922 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.525 5.392 2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -16.262 6.216 4.359 1.00 0.00 H new ATOM 540 N ASN A 37 -17.594 8.283 3.959 1.00 0.00 N ATOM 541 CA ASN A 37 -17.399 9.658 3.465 1.00 0.00 C ATOM 542 C ASN A 37 -16.176 9.776 2.525 1.00 0.00 C ATOM 543 O ASN A 37 -15.955 10.832 1.939 1.00 0.00 O ATOM 544 CB ASN A 37 -17.293 10.562 4.702 1.00 0.00 C ATOM 545 CG ASN A 37 -16.824 11.988 4.404 1.00 0.00 C ATOM 546 OD1 ASN A 37 -15.631 12.255 4.359 1.00 0.00 O ATOM 547 ND2 ASN A 37 -17.742 12.904 4.184 1.00 0.00 N ATOM 0 H ASN A 37 -16.964 8.025 4.718 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.242 9.968 2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.267 10.607 5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.603 10.106 5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.465 13.862 3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -18.730 12.656 4.227 1.00 0.00 H new ATOM 554 N PHE A 38 -15.504 8.647 2.282 1.00 0.00 N ATOM 555 CA PHE A 38 -14.213 8.492 1.572 1.00 0.00 C ATOM 556 C PHE A 38 -13.007 9.320 2.059 1.00 0.00 C ATOM 557 O PHE A 38 -11.911 8.783 2.201 1.00 0.00 O ATOM 558 CB PHE A 38 -14.361 8.505 0.039 1.00 0.00 C ATOM 559 CG PHE A 38 -14.946 9.764 -0.602 1.00 0.00 C ATOM 560 CD1 PHE A 38 -16.314 9.856 -0.833 1.00 0.00 C ATOM 561 CD2 PHE A 38 -14.094 10.758 -1.067 1.00 0.00 C ATOM 562 CE1 PHE A 38 -16.829 10.941 -1.529 1.00 0.00 C ATOM 563 CE2 PHE A 38 -14.610 11.844 -1.766 1.00 0.00 C ATOM 564 CZ PHE A 38 -15.978 11.937 -1.995 1.00 0.00 C ATOM 0 H PHE A 38 -15.867 7.747 2.596 1.00 0.00 H new ATOM 0 HA PHE A 38 -13.926 7.487 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.376 8.332 -0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.988 7.660 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.976 9.083 -0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -13.032 10.687 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -17.892 11.012 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.948 12.615 -2.131 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.379 12.782 -2.534 1.00 0.00 H new ATOM 574 N PHE A 39 -13.267 10.563 2.451 1.00 0.00 N ATOM 575 CA PHE A 39 -12.278 11.509 3.003 1.00 0.00 C ATOM 576 C PHE A 39 -11.857 11.141 4.447 1.00 0.00 C ATOM 577 O PHE A 39 -10.903 10.389 4.650 1.00 0.00 O ATOM 578 CB PHE A 39 -12.896 12.910 2.881 1.00 0.00 C ATOM 579 CG PHE A 39 -11.914 14.057 3.122 1.00 0.00 C ATOM 580 CD1 PHE A 39 -11.263 14.620 2.031 1.00 0.00 C ATOM 581 CD2 PHE A 39 -11.824 14.661 4.371 1.00 0.00 C ATOM 582 CE1 PHE A 39 -10.543 15.798 2.180 1.00 0.00 C ATOM 583 CE2 PHE A 39 -11.093 15.832 4.523 1.00 0.00 C ATOM 584 CZ PHE A 39 -10.460 16.407 3.427 1.00 0.00 C ATOM 0 H PHE A 39 -14.204 10.963 2.395 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.343 11.470 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.325 13.019 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.717 12.995 3.593 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.317 14.140 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.322 14.220 5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.048 16.241 1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.016 16.297 5.495 1.00 0.00 H new ATOM 0 HZ PHE A 39 -9.904 17.326 3.544 1.00 0.00 H new ATOM 594 N GLN A 40 -12.680 11.530 5.421 1.00 0.00 N ATOM 595 CA GLN A 40 -12.392 11.396 6.872 1.00 0.00 C ATOM 596 C GLN A 40 -12.461 9.982 7.492 1.00 0.00 C ATOM 597 O GLN A 40 -12.426 9.833 8.713 1.00 0.00 O ATOM 598 CB GLN A 40 -13.281 12.390 7.636 1.00 0.00 C ATOM 599 CG GLN A 40 -14.777 12.101 7.465 1.00 0.00 C ATOM 600 CD GLN A 40 -15.611 13.349 7.160 1.00 0.00 C ATOM 601 OE1 GLN A 40 -15.181 14.324 6.560 1.00 0.00 O ATOM 602 NE2 GLN A 40 -16.879 13.279 7.490 1.00 0.00 N ATOM 0 H GLN A 40 -13.587 11.957 5.233 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.332 11.627 6.974 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.028 12.357 8.696 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.069 13.401 7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.909 11.380 6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.155 11.635 8.375 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -17.231 12.463 7.990 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.512 14.041 7.246 1.00 0.00 H new ATOM 611 N ILE A 41 -12.323 8.960 6.650 1.00 0.00 N ATOM 612 CA ILE A 41 -12.411 7.549 7.091 1.00 0.00 C ATOM 613 C ILE A 41 -11.027 6.889 7.246 1.00 0.00 C ATOM 614 O ILE A 41 -10.780 6.202 8.235 1.00 0.00 O ATOM 615 CB ILE A 41 -13.401 6.716 6.244 1.00 0.00 C ATOM 616 CG1 ILE A 41 -13.034 6.573 4.761 1.00 0.00 C ATOM 617 CG2 ILE A 41 -14.828 7.253 6.381 1.00 0.00 C ATOM 618 CD1 ILE A 41 -12.299 5.256 4.503 1.00 0.00 C ATOM 0 H ILE A 41 -12.149 9.073 5.651 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.838 7.568 8.094 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.334 5.711 6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.938 6.614 4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.406 7.410 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -15.504 6.649 5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -15.136 7.205 7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.862 8.288 6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.050 5.179 3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.383 5.229 5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.939 4.421 4.787 1.00 0.00 H new ATOM 630 N GLY A 42 -10.152 7.114 6.250 1.00 0.00 N ATOM 631 CA GLY A 42 -8.724 6.743 6.330 1.00 0.00 C ATOM 632 C GLY A 42 -7.912 7.620 7.299 1.00 0.00 C ATOM 633 O GLY A 42 -6.969 7.144 7.928 1.00 0.00 O ATOM 0 H GLY A 42 -10.412 7.557 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.645 5.702 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.283 6.811 5.335 1.00 0.00 H new ATOM 637 N GLY A 43 -8.215 8.927 7.252 1.00 0.00 N ATOM 638 CA GLY A 43 -7.665 9.945 8.170 1.00 0.00 C ATOM 639 C GLY A 43 -6.152 10.195 8.058 1.00 0.00 C ATOM 640 O GLY A 43 -5.328 9.431 8.563 1.00 0.00 O ATOM 0 H GLY A 43 -8.860 9.316 6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.184 10.887 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.890 9.645 9.193 1.00 0.00 H new ATOM 644 N HIS A 44 -5.859 11.432 7.670 1.00 0.00 N ATOM 645 CA HIS A 44 -4.488 11.943 7.435 1.00 0.00 C ATOM 646 C HIS A 44 -3.756 12.398 8.720 1.00 0.00 C ATOM 647 O HIS A 44 -3.164 13.475 8.800 1.00 0.00 O ATOM 648 CB HIS A 44 -4.542 13.029 6.343 1.00 0.00 C ATOM 649 CG HIS A 44 -5.368 14.266 6.724 1.00 0.00 C ATOM 650 ND1 HIS A 44 -6.695 14.369 6.686 1.00 0.00 N flip ATOM 651 CD2 HIS A 44 -4.889 15.373 7.285 1.00 0.00 C flip ATOM 652 CE1 HIS A 44 -7.035 15.522 7.251 1.00 0.00 C flip ATOM 653 NE2 HIS A 44 -5.918 16.148 7.613 1.00 0.00 N flip ATOM 0 H HIS A 44 -6.578 12.135 7.502 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.872 11.116 7.080 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.525 13.343 6.109 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.958 12.594 5.434 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.846 15.602 7.446 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.042 15.887 7.392 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.861 17.062 8.063 1.00 0.00 H new ATOM 662 N SER A 45 -3.845 11.538 9.731 1.00 0.00 N ATOM 663 CA SER A 45 -3.264 11.723 11.081 1.00 0.00 C ATOM 664 C SER A 45 -2.919 10.346 11.690 1.00 0.00 C ATOM 665 O SER A 45 -2.704 9.385 10.949 1.00 0.00 O ATOM 666 CB SER A 45 -4.263 12.522 11.941 1.00 0.00 C ATOM 667 OG SER A 45 -5.430 11.743 12.239 1.00 0.00 O ATOM 0 H SER A 45 -4.342 10.652 9.640 1.00 0.00 H new ATOM 0 HA SER A 45 -2.334 12.290 11.035 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.782 12.831 12.869 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.554 13.431 11.415 1.00 0.00 H new ATOM 0 HG SER A 45 -6.046 12.273 12.787 1.00 0.00 H new ATOM 673 N LEU A 46 -2.965 10.221 13.021 1.00 0.00 N ATOM 674 CA LEU A 46 -2.789 8.942 13.751 1.00 0.00 C ATOM 675 C LEU A 46 -3.755 7.819 13.320 1.00 0.00 C ATOM 676 O LEU A 46 -3.484 6.637 13.538 1.00 0.00 O ATOM 677 CB LEU A 46 -2.841 9.139 15.277 1.00 0.00 C ATOM 678 CG LEU A 46 -4.188 9.595 15.854 1.00 0.00 C ATOM 679 CD1 LEU A 46 -4.286 9.141 17.311 1.00 0.00 C ATOM 680 CD2 LEU A 46 -4.337 11.118 15.809 1.00 0.00 C ATOM 0 H LEU A 46 -3.128 11.015 13.640 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.791 8.606 13.470 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.564 8.199 15.754 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.083 9.872 15.554 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.979 9.152 15.249 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.241 9.461 17.728 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.215 8.054 17.359 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.472 9.583 17.885 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.303 11.402 16.226 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.540 11.579 16.393 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.274 11.459 14.776 1.00 0.00 H new ATOM 692 N LYS A 47 -4.850 8.200 12.660 1.00 0.00 N ATOM 693 CA LYS A 47 -5.801 7.263 12.022 1.00 0.00 C ATOM 694 C LYS A 47 -5.089 6.211 11.154 1.00 0.00 C ATOM 695 O LYS A 47 -5.134 5.033 11.499 1.00 0.00 O ATOM 696 CB LYS A 47 -6.785 8.025 11.134 1.00 0.00 C ATOM 697 CG LYS A 47 -7.716 8.984 11.878 1.00 0.00 C ATOM 698 CD LYS A 47 -8.766 8.235 12.700 1.00 0.00 C ATOM 699 CE LYS A 47 -9.844 9.196 13.207 1.00 0.00 C ATOM 700 NZ LYS A 47 -10.649 9.734 12.099 1.00 0.00 N ATOM 0 H LYS A 47 -5.113 9.179 12.547 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.325 6.755 12.832 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.220 8.592 10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.392 7.303 10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.128 9.624 12.536 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.214 9.637 11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.224 7.456 12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.288 7.739 13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.494 8.677 13.912 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.375 10.017 13.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.480 10.229 12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.075 10.400 11.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.963 8.954 11.487 1.00 0.00 H new ATOM 714 N ALA A 48 -4.213 6.672 10.257 1.00 0.00 N ATOM 715 CA ALA A 48 -3.433 5.803 9.352 1.00 0.00 C ATOM 716 C ALA A 48 -2.683 4.655 10.054 1.00 0.00 C ATOM 717 O ALA A 48 -2.880 3.498 9.683 1.00 0.00 O ATOM 718 CB ALA A 48 -2.461 6.662 8.534 1.00 0.00 C ATOM 0 H ALA A 48 -4.019 7.666 10.132 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.155 5.312 8.700 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.884 6.023 7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.023 7.388 7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.784 7.187 9.208 1.00 0.00 H new ATOM 724 N MET A 49 -1.981 4.958 11.150 1.00 0.00 N ATOM 725 CA MET A 49 -1.284 3.938 11.969 1.00 0.00 C ATOM 726 C MET A 49 -2.218 3.011 12.772 1.00 0.00 C ATOM 727 O MET A 49 -2.051 1.792 12.736 1.00 0.00 O ATOM 728 CB MET A 49 -0.177 4.532 12.857 1.00 0.00 C ATOM 729 CG MET A 49 -0.618 5.714 13.726 1.00 0.00 C ATOM 730 SD MET A 49 0.601 6.245 14.982 1.00 0.00 S ATOM 731 CE MET A 49 0.194 5.116 16.298 1.00 0.00 C ATOM 0 H MET A 49 -1.875 5.910 11.501 1.00 0.00 H new ATOM 0 HA MET A 49 -0.801 3.298 11.231 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.210 3.746 13.506 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.647 4.854 12.220 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.840 6.560 13.076 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.546 5.448 14.232 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.847 5.301 17.151 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.844 5.264 16.596 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.330 4.091 15.953 1.00 0.00 H new ATOM 741 N ALA A 50 -3.269 3.578 13.367 1.00 0.00 N ATOM 742 CA ALA A 50 -4.322 2.806 14.065 1.00 0.00 C ATOM 743 C ALA A 50 -5.076 1.847 13.119 1.00 0.00 C ATOM 744 O ALA A 50 -5.325 0.686 13.450 1.00 0.00 O ATOM 745 CB ALA A 50 -5.303 3.775 14.733 1.00 0.00 C ATOM 0 H ALA A 50 -3.423 4.586 13.384 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.836 2.186 14.819 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.080 3.209 15.248 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.769 4.395 15.453 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.760 4.411 13.975 1.00 0.00 H new ATOM 751 N VAL A 51 -5.362 2.336 11.913 1.00 0.00 N ATOM 752 CA VAL A 51 -5.936 1.533 10.812 1.00 0.00 C ATOM 753 C VAL A 51 -4.916 0.469 10.358 1.00 0.00 C ATOM 754 O VAL A 51 -5.239 -0.712 10.391 1.00 0.00 O ATOM 755 CB VAL A 51 -6.424 2.411 9.642 1.00 0.00 C ATOM 756 CG1 VAL A 51 -7.118 1.566 8.569 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.427 3.479 10.090 1.00 0.00 C ATOM 0 H VAL A 51 -5.203 3.312 11.661 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.823 1.022 11.185 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.529 2.890 9.245 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.451 2.212 7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.419 0.826 8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.978 1.059 9.006 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.739 4.069 9.228 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.298 2.997 10.534 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.959 4.132 10.827 1.00 0.00 H new ATOM 767 N ALA A 52 -3.659 0.860 10.138 1.00 0.00 N ATOM 768 CA ALA A 52 -2.564 -0.077 9.795 1.00 0.00 C ATOM 769 C ALA A 52 -2.431 -1.246 10.788 1.00 0.00 C ATOM 770 O ALA A 52 -2.351 -2.396 10.362 1.00 0.00 O ATOM 771 CB ALA A 52 -1.230 0.668 9.706 1.00 0.00 C ATOM 0 H ALA A 52 -3.362 1.834 10.190 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.823 -0.503 8.826 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.437 -0.035 9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.293 1.436 8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.009 1.134 10.666 1.00 0.00 H new ATOM 777 N ALA A 53 -2.597 -0.953 12.080 1.00 0.00 N ATOM 778 CA ALA A 53 -2.648 -1.969 13.150 1.00 0.00 C ATOM 779 C ALA A 53 -3.734 -3.035 12.909 1.00 0.00 C ATOM 780 O ALA A 53 -3.399 -4.206 12.734 1.00 0.00 O ATOM 781 CB ALA A 53 -2.835 -1.285 14.508 1.00 0.00 C ATOM 0 H ALA A 53 -2.701 0.002 12.422 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.696 -2.501 13.144 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.872 -2.040 15.294 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.000 -0.609 14.693 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.766 -0.719 14.505 1.00 0.00 H new ATOM 787 N GLN A 54 -4.993 -2.613 12.766 1.00 0.00 N ATOM 788 CA GLN A 54 -6.113 -3.533 12.449 1.00 0.00 C ATOM 789 C GLN A 54 -6.000 -4.188 11.056 1.00 0.00 C ATOM 790 O GLN A 54 -6.296 -5.371 10.893 1.00 0.00 O ATOM 791 CB GLN A 54 -7.482 -2.865 12.669 1.00 0.00 C ATOM 792 CG GLN A 54 -7.788 -1.702 11.721 1.00 0.00 C ATOM 793 CD GLN A 54 -9.113 -1.009 12.038 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.182 -1.408 11.605 1.00 0.00 O ATOM 795 NE2 GLN A 54 -9.046 0.080 12.771 1.00 0.00 N ATOM 0 H GLN A 54 -5.273 -1.637 12.863 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.033 -4.354 13.161 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.261 -3.620 12.559 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.533 -2.502 13.695 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.980 -0.973 11.776 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.814 -2.072 10.696 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.145 0.401 13.126 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.895 0.604 12.985 1.00 0.00 H new ATOM 804 N VAL A 55 -5.464 -3.437 10.096 1.00 0.00 N ATOM 805 CA VAL A 55 -5.154 -3.913 8.730 1.00 0.00 C ATOM 806 C VAL A 55 -4.058 -5.006 8.707 1.00 0.00 C ATOM 807 O VAL A 55 -3.989 -5.804 7.775 1.00 0.00 O ATOM 808 CB VAL A 55 -4.913 -2.707 7.791 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.512 -3.099 6.366 1.00 0.00 C ATOM 810 CG2 VAL A 55 -6.203 -1.897 7.643 1.00 0.00 C ATOM 0 H VAL A 55 -5.224 -2.456 10.240 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.022 -4.437 8.330 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.100 -2.149 8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.361 -2.199 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.587 -3.675 6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.302 -3.702 5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.026 -1.049 6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.984 -2.530 7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.519 -1.534 8.621 1.00 0.00 H new ATOM 820 N HIS A 56 -3.175 -4.976 9.699 1.00 0.00 N ATOM 821 CA HIS A 56 -2.212 -6.061 9.972 1.00 0.00 C ATOM 822 C HIS A 56 -2.875 -7.265 10.677 1.00 0.00 C ATOM 823 O HIS A 56 -3.073 -8.301 10.055 1.00 0.00 O ATOM 824 CB HIS A 56 -1.045 -5.460 10.769 1.00 0.00 C ATOM 825 CG HIS A 56 0.209 -6.336 10.903 1.00 0.00 C ATOM 826 ND1 HIS A 56 1.142 -6.166 11.836 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.662 -7.246 10.041 1.00 0.00 C ATOM 828 CE1 HIS A 56 2.174 -6.953 11.544 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.877 -7.618 10.433 1.00 0.00 N ATOM 0 H HIS A 56 -3.099 -4.194 10.349 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.831 -6.472 9.037 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.757 -4.520 10.298 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.403 -5.219 11.770 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.134 -7.617 9.175 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.090 -7.036 12.110 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.477 -8.296 9.963 1.00 0.00 H new ATOM 838 N ARG A 57 -3.388 -7.056 11.889 1.00 0.00 N ATOM 839 CA ARG A 57 -3.939 -8.143 12.737 1.00 0.00 C ATOM 840 C ARG A 57 -5.273 -8.800 12.324 1.00 0.00 C ATOM 841 O ARG A 57 -5.434 -10.009 12.472 1.00 0.00 O ATOM 842 CB ARG A 57 -3.981 -7.709 14.211 1.00 0.00 C ATOM 843 CG ARG A 57 -4.782 -6.425 14.439 1.00 0.00 C ATOM 844 CD ARG A 57 -4.559 -5.870 15.844 1.00 0.00 C ATOM 845 NE ARG A 57 -4.805 -4.419 15.796 1.00 0.00 N ATOM 846 CZ ARG A 57 -5.730 -3.733 16.469 1.00 0.00 C ATOM 847 NH1 ARG A 57 -6.533 -4.306 17.355 1.00 0.00 N ATOM 848 NH2 ARG A 57 -5.818 -2.421 16.311 1.00 0.00 N ATOM 0 H ARG A 57 -3.439 -6.134 12.321 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.225 -8.950 12.572 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.416 -8.511 14.807 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.962 -7.562 14.569 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.492 -5.677 13.701 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.843 -6.625 14.290 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.232 -6.349 16.556 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.542 -6.075 16.179 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.200 -3.878 15.179 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.455 -5.306 17.542 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.228 -3.747 17.850 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.180 -1.940 15.677 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.524 -1.892 16.823 1.00 0.00 H new ATOM 862 N GLU A 58 -6.214 -7.997 11.831 1.00 0.00 N ATOM 863 CA GLU A 58 -7.569 -8.457 11.455 1.00 0.00 C ATOM 864 C GLU A 58 -7.770 -8.534 9.929 1.00 0.00 C ATOM 865 O GLU A 58 -8.569 -9.336 9.449 1.00 0.00 O ATOM 866 CB GLU A 58 -8.597 -7.514 12.100 1.00 0.00 C ATOM 867 CG GLU A 58 -10.041 -8.015 11.980 1.00 0.00 C ATOM 868 CD GLU A 58 -11.037 -7.007 12.556 1.00 0.00 C ATOM 869 OE1 GLU A 58 -11.444 -6.109 11.786 1.00 0.00 O ATOM 870 OE2 GLU A 58 -11.381 -7.162 13.749 1.00 0.00 O ATOM 0 H GLU A 58 -6.066 -7.000 11.676 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.705 -9.474 11.823 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.351 -7.386 13.154 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.521 -6.532 11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.276 -8.201 10.932 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.141 -8.966 12.503 1.00 0.00 H new ATOM 877 N TYR A 59 -7.170 -7.587 9.211 1.00 0.00 N ATOM 878 CA TYR A 59 -7.202 -7.559 7.734 1.00 0.00 C ATOM 879 C TYR A 59 -6.122 -8.420 7.052 1.00 0.00 C ATOM 880 O TYR A 59 -6.285 -8.787 5.893 1.00 0.00 O ATOM 881 CB TYR A 59 -7.087 -6.124 7.204 1.00 0.00 C ATOM 882 CG TYR A 59 -8.296 -5.193 7.387 1.00 0.00 C ATOM 883 CD1 TYR A 59 -9.058 -5.144 8.552 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.606 -4.335 6.339 1.00 0.00 C ATOM 885 CE1 TYR A 59 -10.119 -4.258 8.660 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.669 -3.448 6.443 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.430 -3.413 7.602 1.00 0.00 C ATOM 888 OH TYR A 59 -11.507 -2.590 7.684 1.00 0.00 O ATOM 0 H TYR A 59 -6.647 -6.816 9.626 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.169 -7.992 7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.229 -5.657 7.686 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.864 -6.177 6.138 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.821 -5.800 9.376 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.015 -4.358 5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.704 -4.225 9.567 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.903 -2.786 5.622 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.203 -2.899 7.067 1.00 0.00 H new ATOM 898 N GLN A 60 -4.994 -8.601 7.747 1.00 0.00 N ATOM 899 CA GLN A 60 -3.755 -9.290 7.318 1.00 0.00 C ATOM 900 C GLN A 60 -2.962 -8.636 6.166 1.00 0.00 C ATOM 901 O GLN A 60 -1.742 -8.516 6.258 1.00 0.00 O ATOM 902 CB GLN A 60 -4.015 -10.784 7.089 1.00 0.00 C ATOM 903 CG GLN A 60 -2.718 -11.599 7.126 1.00 0.00 C ATOM 904 CD GLN A 60 -2.973 -13.109 7.162 1.00 0.00 C ATOM 905 OE1 GLN A 60 -3.785 -13.683 6.452 1.00 0.00 O ATOM 906 NE2 GLN A 60 -2.220 -13.795 7.994 1.00 0.00 N ATOM 0 H GLN A 60 -4.909 -8.245 8.699 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.072 -9.172 8.159 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.699 -11.155 7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.505 -10.924 6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.116 -11.357 6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.137 -11.311 8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.543 -13.313 8.585 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.313 -14.809 8.048 1.00 0.00 H new ATOM 915 N VAL A 61 -3.678 -8.056 5.203 1.00 0.00 N ATOM 916 CA VAL A 61 -3.119 -7.419 3.982 1.00 0.00 C ATOM 917 C VAL A 61 -2.108 -6.271 4.255 1.00 0.00 C ATOM 918 O VAL A 61 -1.376 -5.866 3.354 1.00 0.00 O ATOM 919 CB VAL A 61 -4.227 -6.961 2.997 1.00 0.00 C ATOM 920 CG1 VAL A 61 -3.688 -6.920 1.562 1.00 0.00 C ATOM 921 CG2 VAL A 61 -5.503 -7.814 2.988 1.00 0.00 C ATOM 0 H VAL A 61 -4.696 -8.008 5.240 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.543 -8.213 3.507 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.508 -5.974 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.479 -6.597 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.854 -6.220 1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.347 -7.914 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.209 -7.405 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.254 -8.839 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.954 -7.805 3.980 1.00 0.00 H new ATOM 931 N GLU A 62 -2.187 -5.647 5.437 1.00 0.00 N ATOM 932 CA GLU A 62 -1.220 -4.650 5.963 1.00 0.00 C ATOM 933 C GLU A 62 -0.781 -3.547 4.968 1.00 0.00 C ATOM 934 O GLU A 62 0.383 -3.422 4.592 1.00 0.00 O ATOM 935 CB GLU A 62 -0.054 -5.438 6.592 1.00 0.00 C ATOM 936 CG GLU A 62 0.916 -4.625 7.461 1.00 0.00 C ATOM 937 CD GLU A 62 2.107 -4.028 6.699 1.00 0.00 C ATOM 938 OE1 GLU A 62 2.837 -4.808 6.047 1.00 0.00 O ATOM 939 OE2 GLU A 62 2.340 -2.816 6.907 1.00 0.00 O ATOM 0 H GLU A 62 -2.954 -5.823 6.086 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.720 -4.045 6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.470 -6.241 7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.515 -5.909 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.364 -3.815 7.939 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.295 -5.266 8.257 1.00 0.00 H new ATOM 946 N LEU A 63 -1.732 -2.681 4.623 1.00 0.00 N ATOM 947 CA LEU A 63 -1.482 -1.553 3.695 1.00 0.00 C ATOM 948 C LEU A 63 -2.107 -0.199 4.111 1.00 0.00 C ATOM 949 O LEU A 63 -3.228 0.128 3.702 1.00 0.00 O ATOM 950 CB LEU A 63 -1.771 -1.959 2.234 1.00 0.00 C ATOM 951 CG LEU A 63 -3.225 -2.209 1.792 1.00 0.00 C ATOM 952 CD1 LEU A 63 -3.250 -2.488 0.289 1.00 0.00 C ATOM 953 CD2 LEU A 63 -3.893 -3.381 2.511 1.00 0.00 C ATOM 0 H LEU A 63 -2.691 -2.730 4.968 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.415 -1.343 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.363 -1.179 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.206 -2.868 2.029 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.785 -1.310 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.277 -2.666 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.847 -1.629 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.645 -3.368 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.914 -3.496 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.333 -4.295 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.909 -3.188 3.584 1.00 0.00 H new ATOM 965 N PRO A 64 -1.385 0.595 4.923 1.00 0.00 N ATOM 966 CA PRO A 64 -1.828 1.940 5.353 1.00 0.00 C ATOM 967 C PRO A 64 -1.928 2.919 4.175 1.00 0.00 C ATOM 968 O PRO A 64 -1.194 2.801 3.194 1.00 0.00 O ATOM 969 CB PRO A 64 -0.796 2.395 6.385 1.00 0.00 C ATOM 970 CG PRO A 64 0.472 1.642 5.982 1.00 0.00 C ATOM 971 CD PRO A 64 -0.055 0.290 5.491 1.00 0.00 C ATOM 0 HA PRO A 64 -2.832 1.911 5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.648 3.474 6.355 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.106 2.144 7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.019 2.168 5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.154 1.525 6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.606 -0.145 4.742 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.127 -0.428 6.308 1.00 0.00 H new ATOM 979 N LEU A 65 -2.880 3.843 4.301 1.00 0.00 N ATOM 980 CA LEU A 65 -3.328 4.822 3.278 1.00 0.00 C ATOM 981 C LEU A 65 -3.932 4.190 2.005 1.00 0.00 C ATOM 982 O LEU A 65 -5.038 4.553 1.611 1.00 0.00 O ATOM 983 CB LEU A 65 -2.228 5.850 2.963 1.00 0.00 C ATOM 984 CG LEU A 65 -2.736 7.081 2.195 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.956 8.317 2.640 1.00 0.00 C ATOM 986 CD2 LEU A 65 -2.571 6.907 0.682 1.00 0.00 C ATOM 0 H LEU A 65 -3.400 3.945 5.172 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.163 5.356 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.771 6.178 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.446 5.365 2.379 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.797 7.199 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.316 9.190 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.099 8.472 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.896 8.172 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.940 7.796 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.517 6.764 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.138 6.037 0.352 1.00 0.00 H new ATOM 998 N LYS A 66 -3.290 3.146 1.488 1.00 0.00 N ATOM 999 CA LYS A 66 -3.726 2.378 0.303 1.00 0.00 C ATOM 1000 C LYS A 66 -5.183 1.893 0.400 1.00 0.00 C ATOM 1001 O LYS A 66 -6.063 2.531 -0.175 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.767 1.211 0.061 1.00 0.00 C ATOM 1003 CG LYS A 66 -1.417 1.666 -0.496 1.00 0.00 C ATOM 1004 CD LYS A 66 -0.461 0.474 -0.593 1.00 0.00 C ATOM 1005 CE LYS A 66 0.817 0.817 -1.363 1.00 0.00 C ATOM 1006 NZ LYS A 66 0.558 0.962 -2.804 1.00 0.00 N ATOM 0 H LYS A 66 -2.422 2.792 1.889 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.696 3.054 -0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.608 0.676 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.225 0.508 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.553 2.114 -1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.989 2.434 0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.199 0.138 0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.967 -0.356 -1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.240 1.743 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.560 0.036 -1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.462 1.025 -3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.024 0.137 -3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.004 1.826 -2.972 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.461 0.950 1.303 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.834 0.436 1.503 1.00 0.00 C ATOM 1022 C VAL A 67 -7.766 1.399 2.287 1.00 0.00 C ATOM 1023 O VAL A 67 -8.927 1.095 2.531 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.722 -0.993 2.083 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.677 -1.087 3.613 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -7.752 -1.931 1.453 1.00 0.00 C ATOM 0 H VAL A 67 -4.761 0.523 1.910 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.349 0.380 0.544 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.730 -1.338 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.598 -2.132 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.813 -0.537 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.588 -0.658 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.647 -2.927 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.756 -1.555 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.589 -1.980 0.376 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.308 2.641 2.436 1.00 0.00 N ATOM 1037 CA LEU A 68 -7.956 3.705 3.230 1.00 0.00 C ATOM 1038 C LEU A 68 -8.506 4.835 2.338 1.00 0.00 C ATOM 1039 O LEU A 68 -9.554 5.406 2.627 1.00 0.00 O ATOM 1040 CB LEU A 68 -6.940 4.320 4.208 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.528 3.498 5.440 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -5.705 2.249 5.107 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -5.715 4.396 6.373 1.00 0.00 C ATOM 0 H LEU A 68 -6.444 2.954 1.994 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.785 3.244 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.036 4.553 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.349 5.267 4.561 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.447 3.146 5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.453 1.723 6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.287 1.591 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.789 2.543 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.414 3.828 7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.827 4.754 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.323 5.247 6.680 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.710 5.202 1.333 1.00 0.00 N ATOM 1056 CA PHE A 69 -8.040 6.224 0.321 1.00 0.00 C ATOM 1057 C PHE A 69 -8.364 5.631 -1.060 1.00 0.00 C ATOM 1058 O PHE A 69 -9.345 6.028 -1.680 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.864 7.201 0.199 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.778 8.186 1.370 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -6.225 7.808 2.590 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -7.237 9.485 1.192 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -6.131 8.730 3.626 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -7.132 10.409 2.223 1.00 0.00 C ATOM 1065 CZ PHE A 69 -6.580 10.032 3.441 1.00 0.00 C ATOM 0 H PHE A 69 -6.789 4.788 1.190 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.942 6.734 0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.934 6.635 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.958 7.760 -0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.869 6.798 2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.676 9.777 0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.709 8.434 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.480 11.421 2.078 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.500 10.750 4.243 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.541 4.687 -1.523 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.781 3.947 -2.782 1.00 0.00 C ATOM 1077 C ALA A 70 -8.969 2.971 -2.686 1.00 0.00 C ATOM 1078 O ALA A 70 -9.647 2.715 -3.677 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.513 3.209 -3.220 1.00 0.00 C ATOM 0 H ALA A 70 -6.686 4.408 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.045 4.688 -3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.708 2.670 -4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.710 3.929 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.217 2.502 -2.445 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.144 2.375 -1.505 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.342 1.570 -1.177 1.00 0.00 C ATOM 1087 C GLN A 71 -11.125 2.125 0.038 1.00 0.00 C ATOM 1088 O GLN A 71 -11.380 1.397 1.000 1.00 0.00 O ATOM 1089 CB GLN A 71 -9.935 0.102 -0.999 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.663 -0.566 -2.349 1.00 0.00 C ATOM 1091 CD GLN A 71 -9.250 -2.026 -2.176 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -10.020 -2.892 -1.785 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -8.002 -2.308 -2.464 1.00 0.00 N ATOM 0 H GLN A 71 -8.466 2.431 -0.745 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.041 1.637 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.043 0.042 -0.375 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.726 -0.436 -0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.557 -0.510 -2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.876 -0.023 -2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.375 -1.572 -2.789 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.659 -3.263 -2.363 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.706 3.330 -0.098 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.302 4.082 1.027 1.00 0.00 C ATOM 1104 C PRO A 72 -13.721 3.626 1.438 1.00 0.00 C ATOM 1105 O PRO A 72 -14.477 4.364 2.073 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.288 5.517 0.502 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.650 5.343 -0.973 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.915 4.062 -1.366 1.00 0.00 C ATOM 0 HA PRO A 72 -11.745 3.933 1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.010 6.145 1.024 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.311 5.983 0.626 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.727 5.249 -1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.323 6.194 -1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.502 3.471 -2.069 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.966 4.286 -1.852 1.00 0.00 H new ATOM 1116 N THR A 73 -14.001 2.353 1.185 1.00 0.00 N ATOM 1117 CA THR A 73 -15.324 1.727 1.392 1.00 0.00 C ATOM 1118 C THR A 73 -15.168 0.320 1.975 1.00 0.00 C ATOM 1119 O THR A 73 -14.416 -0.505 1.455 1.00 0.00 O ATOM 1120 CB THR A 73 -16.185 1.697 0.108 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.379 0.942 0.350 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.463 1.175 -1.141 1.00 0.00 C ATOM 0 H THR A 73 -13.305 1.702 0.821 1.00 0.00 H new ATOM 0 HA THR A 73 -15.858 2.352 2.108 1.00 0.00 H new ATOM 0 HB THR A 73 -16.423 2.736 -0.119 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.742 1.177 1.229 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.147 1.191 -1.990 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.603 1.809 -1.356 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.126 0.153 -0.966 1.00 0.00 H new ATOM 1130 N ILE A 74 -16.014 0.042 2.964 1.00 0.00 N ATOM 1131 CA ILE A 74 -16.082 -1.290 3.596 1.00 0.00 C ATOM 1132 C ILE A 74 -16.487 -2.422 2.622 1.00 0.00 C ATOM 1133 O ILE A 74 -16.094 -3.562 2.832 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.858 -1.197 4.928 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -16.205 -2.008 6.062 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.362 -1.458 4.809 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -16.100 -3.533 5.905 1.00 0.00 C ATOM 0 H ILE A 74 -16.669 0.720 3.353 1.00 0.00 H new ATOM 0 HA ILE A 74 -15.077 -1.613 3.869 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.781 -0.147 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.197 -1.620 6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.762 -1.806 6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.825 -1.372 5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.806 -0.727 4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.527 -2.461 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.617 -3.957 6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.098 -3.957 5.799 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.510 -3.768 5.019 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.107 -2.067 1.492 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.395 -3.009 0.387 1.00 0.00 C ATOM 1151 C LYS A 75 -16.084 -3.620 -0.153 1.00 0.00 C ATOM 1152 O LYS A 75 -15.775 -4.776 0.138 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.221 -2.242 -0.660 1.00 0.00 C ATOM 1154 CG LYS A 75 -18.603 -3.029 -1.923 1.00 0.00 C ATOM 1155 CD LYS A 75 -17.666 -2.765 -3.110 1.00 0.00 C ATOM 1156 CE LYS A 75 -17.807 -1.342 -3.662 1.00 0.00 C ATOM 1157 NZ LYS A 75 -16.907 -1.116 -4.802 1.00 0.00 N ATOM 0 H LYS A 75 -17.428 -1.116 1.310 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.983 -3.866 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.136 -1.889 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.658 -1.359 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.597 -4.095 -1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.622 -2.770 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.635 -2.930 -2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.878 -3.482 -3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.838 -1.171 -3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.587 -0.621 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.027 -0.144 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.922 -1.256 -4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.134 -1.788 -5.562 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.218 -2.751 -0.675 1.00 0.00 N ATOM 1172 CA ALA A 76 -13.863 -3.119 -1.140 1.00 0.00 C ATOM 1173 C ALA A 76 -12.973 -3.713 -0.031 1.00 0.00 C ATOM 1174 O ALA A 76 -12.322 -4.737 -0.245 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.204 -1.889 -1.763 1.00 0.00 C ATOM 0 H ALA A 76 -15.431 -1.760 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.973 -3.910 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.204 -2.148 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.802 -1.544 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.136 -1.096 -1.018 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.101 -3.177 1.186 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.443 -3.735 2.390 1.00 0.00 C ATOM 1183 C LEU A 77 -12.845 -5.199 2.649 1.00 0.00 C ATOM 1184 O LEU A 77 -11.980 -6.064 2.774 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.737 -2.894 3.643 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.302 -1.424 3.564 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.693 -0.688 4.845 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.795 -1.283 3.352 1.00 0.00 C ATOM 0 H LEU A 77 -13.661 -2.345 1.373 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.373 -3.703 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.808 -2.928 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.241 -3.357 4.496 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.812 -0.986 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.379 0.354 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.774 -0.733 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.205 -1.159 5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.532 -0.226 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.265 -1.750 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.511 -1.772 2.420 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.147 -5.481 2.572 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.710 -6.844 2.663 1.00 0.00 C ATOM 1202 C ALA A 78 -14.221 -7.766 1.534 1.00 0.00 C ATOM 1203 O ALA A 78 -13.934 -8.931 1.796 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.241 -6.795 2.683 1.00 0.00 C ATOM 0 H ALA A 78 -14.858 -4.761 2.442 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.350 -7.269 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.637 -7.808 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.575 -6.217 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.602 -6.325 1.768 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.071 -7.235 0.322 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.427 -7.960 -0.796 1.00 0.00 C ATOM 1212 C GLN A 79 -11.952 -8.321 -0.537 1.00 0.00 C ATOM 1213 O GLN A 79 -11.527 -9.442 -0.803 1.00 0.00 O ATOM 1214 CB GLN A 79 -13.590 -7.187 -2.111 1.00 0.00 C ATOM 1215 CG GLN A 79 -14.923 -7.487 -2.812 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.169 -7.066 -2.025 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -16.732 -5.996 -2.202 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -16.654 -7.943 -1.173 1.00 0.00 N ATOM 0 H GLN A 79 -14.387 -6.296 0.078 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.949 -8.913 -0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -13.522 -6.118 -1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.767 -7.439 -2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.932 -6.982 -3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -14.980 -8.557 -3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.178 -8.834 -1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.506 -7.732 -0.654 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.208 -7.396 0.066 1.00 0.00 N ATOM 1228 CA TYR A 80 -9.836 -7.667 0.545 1.00 0.00 C ATOM 1229 C TYR A 80 -9.731 -8.668 1.713 1.00 0.00 C ATOM 1230 O TYR A 80 -8.911 -9.586 1.688 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.119 -6.354 0.881 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.337 -5.775 -0.305 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -8.864 -5.739 -1.593 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -6.998 -5.461 -0.112 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -8.050 -5.425 -2.675 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -6.182 -5.140 -1.188 1.00 0.00 C ATOM 1237 CZ TYR A 80 -6.711 -5.119 -2.474 1.00 0.00 C ATOM 1238 OH TYR A 80 -6.001 -4.548 -3.478 1.00 0.00 O ATOM 0 H TYR A 80 -11.527 -6.443 0.240 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.336 -8.164 -0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.853 -5.622 1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.434 -6.523 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.910 -5.956 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.587 -5.467 0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.460 -5.419 -3.674 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.140 -4.907 -1.027 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.080 -4.395 -3.181 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.666 -8.585 2.656 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.568 -9.389 3.898 1.00 0.00 C ATOM 1250 C VAL A 81 -11.404 -10.677 3.965 1.00 0.00 C ATOM 1251 O VAL A 81 -10.878 -11.734 4.302 1.00 0.00 O ATOM 1252 CB VAL A 81 -10.758 -8.533 5.166 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -9.719 -7.416 5.190 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -12.157 -7.933 5.325 1.00 0.00 C ATOM 0 H VAL A 81 -11.489 -7.986 2.599 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.541 -9.752 3.858 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.627 -9.214 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.855 -6.812 6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.719 -7.849 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.840 -6.788 4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -12.199 -7.347 6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -12.376 -7.289 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.894 -8.735 5.372 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.633 -10.618 3.463 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.595 -11.736 3.502 1.00 0.00 C ATOM 1266 C ALA A 82 -13.868 -12.262 2.078 1.00 0.00 C ATOM 1267 O ALA A 82 -15.002 -12.365 1.602 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.865 -11.252 4.215 1.00 0.00 C ATOM 0 H ALA A 82 -13.003 -9.783 3.009 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.189 -12.579 4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.591 -12.064 4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.616 -10.937 5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.291 -10.411 3.668 1.00 0.00 H new ATOM 1274 N THR A 83 -12.762 -12.533 1.387 1.00 0.00 N ATOM 1275 CA THR A 83 -12.727 -13.024 -0.012 1.00 0.00 C ATOM 1276 C THR A 83 -11.360 -13.679 -0.295 1.00 0.00 C ATOM 1277 O THR A 83 -11.333 -14.818 -0.750 1.00 0.00 O ATOM 1278 CB THR A 83 -13.058 -11.920 -1.041 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.339 -11.345 -0.756 1.00 0.00 O ATOM 1280 CG2 THR A 83 -13.064 -12.422 -2.490 1.00 0.00 C ATOM 0 H THR A 83 -11.831 -12.417 1.787 1.00 0.00 H new ATOM 0 HA THR A 83 -13.510 -13.774 -0.125 1.00 0.00 H new ATOM 0 HB THR A 83 -12.265 -11.177 -0.948 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.826 -11.924 -0.133 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.303 -11.596 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.081 -12.820 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.812 -13.207 -2.600 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.260 -12.951 -0.068 1.00 0.00 N ATOM 1289 CA ARG A 84 -8.917 -13.577 -0.104 1.00 0.00 C ATOM 1290 C ARG A 84 -8.171 -13.664 1.244 1.00 0.00 C ATOM 1291 O ARG A 84 -7.420 -14.611 1.456 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.006 -13.003 -1.208 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.448 -11.590 -0.988 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.477 -10.474 -1.195 1.00 0.00 C ATOM 1295 NE ARG A 84 -8.828 -10.279 -2.612 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.100 -9.635 -3.528 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.032 -8.916 -3.207 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -8.524 -9.586 -4.781 1.00 0.00 N ATOM 0 H ARG A 84 -10.262 -11.952 0.138 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.152 -14.610 -0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.164 -13.683 -1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.566 -13.004 -2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.051 -11.521 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.612 -11.430 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.379 -10.709 -0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.082 -9.542 -0.791 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.715 -10.675 -2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.742 -8.841 -2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.501 -8.438 -3.935 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.401 -10.038 -5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.974 -9.096 -5.487 1.00 0.00 H new ATOM 1312 N SER A 85 -8.349 -12.652 2.105 1.00 0.00 N ATOM 1313 CA SER A 85 -7.807 -12.589 3.493 1.00 0.00 C ATOM 1314 C SER A 85 -6.290 -12.356 3.616 1.00 0.00 C ATOM 1315 O SER A 85 -5.922 -11.630 4.565 1.00 0.00 O ATOM 1316 CB SER A 85 -8.156 -13.815 4.351 1.00 0.00 C ATOM 1317 OG SER A 85 -9.574 -14.008 4.406 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.550 -12.775 2.699 1.00 99.99 O ATOM 0 H SER A 85 -8.889 -11.823 1.858 1.00 0.00 H new ATOM 0 HA SER A 85 -8.316 -11.702 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.679 -14.703 3.936 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.763 -13.683 5.359 1.00 0.00 H new ATOM 0 HG SER A 85 -10.027 -13.184 4.129 1.00 0.00 H new