USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 652 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 Single : A 1 GLY N :NH3+ -135:sc= 0.178 (180deg=3.99e-05) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00625 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.18) USER MOD Single : A 13 THR OG1 : rot 11:sc= 0.598 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.6) USER MOD Single : A 35 CYS SG : rot 180:sc= -1.58 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0493 K(o=-0.049,f=-1.3) USER MOD Single : A 45 HIS : no HD1:sc=-0.00185 K(o=-0.0018,f=-1.4) USER MOD Single : A 46 CYS SG : rot 180:sc= -3.04 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -3.3! C(o=-3.3!,f=-6.3!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.03 K(o=-1,f=-7.3!) USER MOD Single : A 52 ASN : amide:sc= -0.426 K(o=-0.43,f=-5.1!) USER MOD Single : A 54 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.126 (180deg=-0.412) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 45:sc= 0.349 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00868 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= 0.0241 (180deg=-0.55) USER MOD Single : A 82 LYS NZ :NH3+ 158:sc= 0.213 (180deg=0.0655) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.245 -12.384 21.640 1.00 0.00 N ATOM 2 CA GLY A 1 18.314 -12.675 23.060 1.00 0.00 C ATOM 3 C GLY A 1 18.542 -11.431 23.896 1.00 0.00 C ATOM 4 O GLY A 1 17.684 -10.551 23.960 1.00 0.00 O ATOM 0 H1 GLY A 1 17.444 -12.897 21.219 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.113 -11.362 21.501 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.128 -12.685 21.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.388 -13.156 23.375 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.120 -13.385 23.244 1.00 0.00 H new ATOM 8 N SER A 2 19.703 -11.358 24.540 1.00 0.00 N ATOM 9 CA SER A 2 20.040 -10.215 25.381 1.00 0.00 C ATOM 10 C SER A 2 20.277 -8.968 24.534 1.00 0.00 C ATOM 11 O SER A 2 21.402 -8.691 24.119 1.00 0.00 O ATOM 12 CB SER A 2 21.283 -10.520 26.218 1.00 0.00 C ATOM 13 OG SER A 2 21.037 -11.576 27.131 1.00 0.00 O ATOM 0 H SER A 2 20.426 -12.077 24.495 1.00 0.00 H new ATOM 0 HA SER A 2 19.199 -10.026 26.048 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.111 -10.788 25.561 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.586 -9.626 26.764 1.00 0.00 H new ATOM 0 HG SER A 2 21.847 -11.753 27.653 1.00 0.00 H new ATOM 19 N SER A 3 19.207 -8.220 24.281 1.00 0.00 N ATOM 20 CA SER A 3 19.297 -7.005 23.480 1.00 0.00 C ATOM 21 C SER A 3 19.805 -7.316 22.076 1.00 0.00 C ATOM 22 O SER A 3 20.582 -6.553 21.502 1.00 0.00 O ATOM 23 CB SER A 3 20.221 -5.990 24.157 1.00 0.00 C ATOM 24 OG SER A 3 19.500 -5.162 25.052 1.00 0.00 O ATOM 0 H SER A 3 18.269 -8.434 24.619 1.00 0.00 H new ATOM 0 HA SER A 3 18.297 -6.578 23.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.009 -6.515 24.697 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.708 -5.375 23.400 1.00 0.00 H new ATOM 0 HG SER A 3 20.113 -4.524 25.473 1.00 0.00 H new ATOM 30 N GLY A 4 19.361 -8.443 21.528 1.00 0.00 N ATOM 31 CA GLY A 4 19.781 -8.836 20.196 1.00 0.00 C ATOM 32 C GLY A 4 18.619 -9.280 19.329 1.00 0.00 C ATOM 33 O GLY A 4 17.914 -10.232 19.665 1.00 0.00 O ATOM 0 H GLY A 4 18.718 -9.091 21.983 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.289 -7.999 19.717 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.505 -9.647 20.271 1.00 0.00 H new ATOM 37 N SER A 5 18.418 -8.589 18.212 1.00 0.00 N ATOM 38 CA SER A 5 17.329 -8.914 17.297 1.00 0.00 C ATOM 39 C SER A 5 17.866 -9.550 16.019 1.00 0.00 C ATOM 40 O SER A 5 18.214 -8.854 15.065 1.00 0.00 O ATOM 41 CB SER A 5 16.528 -7.656 16.957 1.00 0.00 C ATOM 42 OG SER A 5 15.790 -7.830 15.760 1.00 0.00 O ATOM 0 H SER A 5 18.995 -7.801 17.918 1.00 0.00 H new ATOM 0 HA SER A 5 16.673 -9.631 17.791 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.848 -7.421 17.776 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.204 -6.808 16.851 1.00 0.00 H new ATOM 0 HG SER A 5 15.285 -7.013 15.565 1.00 0.00 H new ATOM 48 N SER A 6 17.931 -10.878 16.008 1.00 0.00 N ATOM 49 CA SER A 6 18.429 -11.609 14.849 1.00 0.00 C ATOM 50 C SER A 6 17.279 -12.245 14.073 1.00 0.00 C ATOM 51 O SER A 6 16.178 -12.411 14.597 1.00 0.00 O ATOM 52 CB SER A 6 19.421 -12.688 15.288 1.00 0.00 C ATOM 53 OG SER A 6 20.532 -12.117 15.956 1.00 0.00 O ATOM 0 H SER A 6 17.645 -11.469 16.789 1.00 0.00 H new ATOM 0 HA SER A 6 18.938 -10.901 14.195 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.922 -13.399 15.947 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.764 -13.247 14.417 1.00 0.00 H new ATOM 0 HG SER A 6 21.150 -12.827 16.228 1.00 0.00 H new ATOM 59 N GLY A 7 17.544 -12.599 12.819 1.00 0.00 N ATOM 60 CA GLY A 7 16.523 -13.213 11.990 1.00 0.00 C ATOM 61 C GLY A 7 16.499 -12.644 10.585 1.00 0.00 C ATOM 62 O GLY A 7 15.972 -11.556 10.357 1.00 0.00 O ATOM 0 H GLY A 7 18.447 -12.472 12.363 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.697 -14.288 11.941 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.547 -13.069 12.454 1.00 0.00 H new ATOM 66 N GLY A 8 17.072 -13.383 9.639 1.00 0.00 N ATOM 67 CA GLY A 8 17.104 -12.928 8.261 1.00 0.00 C ATOM 68 C GLY A 8 18.313 -13.448 7.508 1.00 0.00 C ATOM 69 O GLY A 8 19.013 -12.684 6.842 1.00 0.00 O ATOM 0 H GLY A 8 17.514 -14.288 9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.196 -13.253 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 8 17.108 -11.838 8.241 1.00 0.00 H new ATOM 73 N TYR A 9 18.560 -14.748 7.614 1.00 0.00 N ATOM 74 CA TYR A 9 19.696 -15.368 6.940 1.00 0.00 C ATOM 75 C TYR A 9 19.236 -16.504 6.032 1.00 0.00 C ATOM 76 O TYR A 9 18.201 -17.133 6.256 1.00 0.00 O ATOM 77 CB TYR A 9 20.699 -15.895 7.968 1.00 0.00 C ATOM 78 CG TYR A 9 20.085 -16.816 8.997 1.00 0.00 C ATOM 79 CD1 TYR A 9 19.386 -16.306 10.085 1.00 0.00 C ATOM 80 CD2 TYR A 9 20.203 -18.195 8.884 1.00 0.00 C ATOM 81 CE1 TYR A 9 18.823 -17.143 11.029 1.00 0.00 C ATOM 82 CE2 TYR A 9 19.643 -19.040 9.822 1.00 0.00 C ATOM 83 CZ TYR A 9 18.954 -18.509 10.893 1.00 0.00 C ATOM 84 OH TYR A 9 18.395 -19.347 11.830 1.00 0.00 O ATOM 0 H TYR A 9 17.990 -15.394 8.160 1.00 0.00 H new ATOM 0 HA TYR A 9 20.181 -14.610 6.325 1.00 0.00 H new ATOM 0 HB2 TYR A 9 21.495 -16.426 7.447 1.00 0.00 H new ATOM 0 HB3 TYR A 9 21.161 -15.050 8.479 1.00 0.00 H new ATOM 0 HD1 TYR A 9 19.281 -15.237 10.194 1.00 0.00 H new ATOM 0 HD2 TYR A 9 20.742 -18.614 8.048 1.00 0.00 H new ATOM 0 HE1 TYR A 9 18.283 -16.730 11.868 1.00 0.00 H new ATOM 0 HE2 TYR A 9 19.744 -20.110 9.718 1.00 0.00 H new ATOM 0 HH TYR A 9 18.578 -20.278 11.586 1.00 0.00 H new ATOM 94 N PRO A 10 20.024 -16.776 4.981 1.00 0.00 N ATOM 95 CA PRO A 10 21.257 -16.034 4.704 1.00 0.00 C ATOM 96 C PRO A 10 20.984 -14.602 4.255 1.00 0.00 C ATOM 97 O PRO A 10 20.110 -14.359 3.425 1.00 0.00 O ATOM 98 CB PRO A 10 21.907 -16.835 3.573 1.00 0.00 C ATOM 99 CG PRO A 10 20.773 -17.529 2.901 1.00 0.00 C ATOM 100 CD PRO A 10 19.771 -17.827 3.982 1.00 0.00 C ATOM 0 HA PRO A 10 21.883 -15.939 5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 10 22.438 -16.182 2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 10 22.634 -17.548 3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 10 20.335 -16.900 2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 10 21.109 -18.446 2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 10 18.749 -17.785 3.605 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.916 -18.823 4.401 1.00 0.00 H new ATOM 108 N ASN A 11 21.739 -13.659 4.808 1.00 0.00 N ATOM 109 CA ASN A 11 21.578 -12.251 4.464 1.00 0.00 C ATOM 110 C ASN A 11 21.501 -12.066 2.951 1.00 0.00 C ATOM 111 O ASN A 11 22.308 -12.620 2.206 1.00 0.00 O ATOM 112 CB ASN A 11 22.738 -11.430 5.030 1.00 0.00 C ATOM 113 CG ASN A 11 24.006 -11.580 4.213 1.00 0.00 C ATOM 114 OD1 ASN A 11 24.689 -12.602 4.288 1.00 0.00 O ATOM 115 ND2 ASN A 11 24.327 -10.560 3.426 1.00 0.00 N ATOM 0 H ASN A 11 22.469 -13.844 5.496 1.00 0.00 H new ATOM 0 HA ASN A 11 20.644 -11.900 4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 11 22.453 -10.378 5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 11 22.932 -11.740 6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 11 25.169 -10.604 2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 11 23.732 -9.732 3.395 1.00 0.00 H new ATOM 122 N GLY A 12 20.523 -11.283 2.505 1.00 0.00 N ATOM 123 CA GLY A 12 20.358 -11.039 1.084 1.00 0.00 C ATOM 124 C GLY A 12 19.467 -9.846 0.801 1.00 0.00 C ATOM 125 O GLY A 12 18.439 -9.972 0.135 1.00 0.00 O ATOM 0 H GLY A 12 19.842 -10.814 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 12 21.336 -10.874 0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 12 19.934 -11.926 0.613 1.00 0.00 H new ATOM 129 N THR A 13 19.861 -8.681 1.308 1.00 0.00 N ATOM 130 CA THR A 13 19.090 -7.461 1.109 1.00 0.00 C ATOM 131 C THR A 13 17.598 -7.719 1.280 1.00 0.00 C ATOM 132 O THR A 13 16.781 -7.243 0.492 1.00 0.00 O ATOM 133 CB THR A 13 19.339 -6.862 -0.289 1.00 0.00 C ATOM 134 OG1 THR A 13 18.897 -7.775 -1.299 1.00 0.00 O ATOM 135 CG2 THR A 13 20.814 -6.550 -0.489 1.00 0.00 C ATOM 0 H THR A 13 20.710 -8.558 1.860 1.00 0.00 H new ATOM 0 HA THR A 13 19.422 -6.750 1.866 1.00 0.00 H new ATOM 0 HB THR A 13 18.774 -5.933 -0.368 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.374 -8.493 -0.885 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.965 -6.128 -1.483 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.139 -5.832 0.263 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.396 -7.466 -0.391 1.00 0.00 H new ATOM 143 N SER A 14 17.248 -8.474 2.317 1.00 0.00 N ATOM 144 CA SER A 14 15.853 -8.798 2.590 1.00 0.00 C ATOM 145 C SER A 14 15.219 -7.747 3.496 1.00 0.00 C ATOM 146 O SER A 14 14.473 -8.075 4.418 1.00 0.00 O ATOM 147 CB SER A 14 15.745 -10.179 3.240 1.00 0.00 C ATOM 148 OG SER A 14 16.483 -10.233 4.448 1.00 0.00 O ATOM 0 H SER A 14 17.911 -8.872 2.981 1.00 0.00 H new ATOM 0 HA SER A 14 15.316 -8.808 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.698 -10.410 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 14 16.114 -10.939 2.551 1.00 0.00 H new ATOM 0 HG SER A 14 16.396 -11.125 4.845 1.00 0.00 H new ATOM 154 N ALA A 15 15.521 -6.481 3.225 1.00 0.00 N ATOM 155 CA ALA A 15 14.980 -5.381 4.013 1.00 0.00 C ATOM 156 C ALA A 15 13.693 -4.846 3.397 1.00 0.00 C ATOM 157 O ALA A 15 13.414 -5.075 2.221 1.00 0.00 O ATOM 158 CB ALA A 15 16.010 -4.268 4.141 1.00 0.00 C ATOM 0 H ALA A 15 16.138 -6.192 2.465 1.00 0.00 H new ATOM 0 HA ALA A 15 14.745 -5.760 5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.593 -3.453 4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.903 -4.653 4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.273 -3.900 3.149 1.00 0.00 H new ATOM 164 N ALA A 16 12.911 -4.131 4.200 1.00 0.00 N ATOM 165 CA ALA A 16 11.653 -3.562 3.732 1.00 0.00 C ATOM 166 C ALA A 16 11.898 -2.406 2.768 1.00 0.00 C ATOM 167 O ALA A 16 12.615 -1.458 3.089 1.00 0.00 O ATOM 168 CB ALA A 16 10.812 -3.098 4.913 1.00 0.00 C ATOM 0 H ALA A 16 13.127 -3.932 5.177 1.00 0.00 H new ATOM 0 HA ALA A 16 11.109 -4.339 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.876 -2.675 4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.599 -3.946 5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.359 -2.340 5.473 1.00 0.00 H new ATOM 174 N LEU A 17 11.299 -2.492 1.585 1.00 0.00 N ATOM 175 CA LEU A 17 11.453 -1.453 0.573 1.00 0.00 C ATOM 176 C LEU A 17 10.098 -0.876 0.174 1.00 0.00 C ATOM 177 O LEU A 17 9.371 -1.467 -0.624 1.00 0.00 O ATOM 178 CB LEU A 17 12.163 -2.015 -0.660 1.00 0.00 C ATOM 179 CG LEU A 17 12.200 -1.104 -1.887 1.00 0.00 C ATOM 180 CD1 LEU A 17 10.943 -1.283 -2.724 1.00 0.00 C ATOM 181 CD2 LEU A 17 12.361 0.350 -1.467 1.00 0.00 C ATOM 0 H LEU A 17 10.703 -3.270 1.303 1.00 0.00 H new ATOM 0 HA LEU A 17 12.057 -0.652 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.188 -2.260 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.676 -2.949 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 17 13.060 -1.383 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.988 -0.626 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.871 -2.319 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.068 -1.032 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.385 0.984 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.522 0.641 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.291 0.467 -0.911 1.00 0.00 H new ATOM 193 N ARG A 18 9.767 0.283 0.734 1.00 0.00 N ATOM 194 CA ARG A 18 8.500 0.941 0.437 1.00 0.00 C ATOM 195 C ARG A 18 8.443 1.375 -1.025 1.00 0.00 C ATOM 196 O ARG A 18 9.264 2.171 -1.478 1.00 0.00 O ATOM 197 CB ARG A 18 8.304 2.154 1.348 1.00 0.00 C ATOM 198 CG ARG A 18 8.375 1.821 2.829 1.00 0.00 C ATOM 199 CD ARG A 18 7.189 0.976 3.268 1.00 0.00 C ATOM 200 NE ARG A 18 6.058 1.799 3.688 1.00 0.00 N ATOM 201 CZ ARG A 18 5.933 2.310 4.908 1.00 0.00 C ATOM 202 NH1 ARG A 18 6.866 2.084 5.823 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.875 3.048 5.215 1.00 0.00 N ATOM 0 H ARG A 18 10.358 0.786 1.396 1.00 0.00 H new ATOM 0 HA ARG A 18 7.697 0.226 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.064 2.899 1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.337 2.607 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.301 1.286 3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.401 2.743 3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.881 0.328 2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.490 0.327 4.090 1.00 0.00 H new ATOM 0 HE ARG A 18 5.324 1.992 3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.681 1.517 5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.768 2.477 6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.155 3.224 4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.781 3.439 6.152 1.00 0.00 H new ATOM 217 N GLU A 19 7.468 0.844 -1.757 1.00 0.00 N ATOM 218 CA GLU A 19 7.305 1.176 -3.167 1.00 0.00 C ATOM 219 C GLU A 19 6.263 2.275 -3.351 1.00 0.00 C ATOM 220 O GLU A 19 5.365 2.441 -2.524 1.00 0.00 O ATOM 221 CB GLU A 19 6.899 -0.066 -3.963 1.00 0.00 C ATOM 222 CG GLU A 19 7.837 -1.246 -3.770 1.00 0.00 C ATOM 223 CD GLU A 19 9.008 -1.223 -4.733 1.00 0.00 C ATOM 224 OE1 GLU A 19 9.507 -0.119 -5.036 1.00 0.00 O ATOM 225 OE2 GLU A 19 9.426 -2.310 -5.184 1.00 0.00 O ATOM 0 H GLU A 19 6.780 0.183 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 19 8.262 1.541 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.892 -0.362 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.861 0.188 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.213 -1.243 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.280 -2.174 -3.903 1.00 0.00 H new ATOM 232 N THR A 20 6.387 3.025 -4.442 1.00 0.00 N ATOM 233 CA THR A 20 5.458 4.109 -4.735 1.00 0.00 C ATOM 234 C THR A 20 4.889 3.980 -6.143 1.00 0.00 C ATOM 235 O THR A 20 5.604 3.635 -7.083 1.00 0.00 O ATOM 236 CB THR A 20 6.136 5.484 -4.591 1.00 0.00 C ATOM 237 OG1 THR A 20 7.091 5.671 -5.641 1.00 0.00 O ATOM 238 CG2 THR A 20 6.827 5.609 -3.241 1.00 0.00 C ATOM 0 H THR A 20 7.123 2.901 -5.138 1.00 0.00 H new ATOM 0 HA THR A 20 4.647 4.035 -4.011 1.00 0.00 H new ATOM 0 HB THR A 20 5.366 6.253 -4.659 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.517 6.548 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.299 6.589 -3.163 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.092 5.496 -2.444 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.586 4.832 -3.148 1.00 0.00 H new ATOM 246 N GLY A 21 3.596 4.261 -6.282 1.00 0.00 N ATOM 247 CA GLY A 21 2.953 4.171 -7.580 1.00 0.00 C ATOM 248 C GLY A 21 1.783 5.124 -7.715 1.00 0.00 C ATOM 249 O GLY A 21 1.929 6.330 -7.515 1.00 0.00 O ATOM 0 H GLY A 21 2.983 4.549 -5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.684 4.385 -8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.606 3.150 -7.740 1.00 0.00 H new ATOM 253 N VAL A 22 0.618 4.584 -8.057 1.00 0.00 N ATOM 254 CA VAL A 22 -0.583 5.396 -8.219 1.00 0.00 C ATOM 255 C VAL A 22 -1.842 4.553 -8.052 1.00 0.00 C ATOM 256 O VAL A 22 -1.838 3.352 -8.326 1.00 0.00 O ATOM 257 CB VAL A 22 -0.615 6.081 -9.598 1.00 0.00 C ATOM 258 CG1 VAL A 22 -1.069 5.102 -10.670 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.520 7.303 -9.564 1.00 0.00 C ATOM 0 H VAL A 22 0.480 3.588 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.556 6.161 -7.443 1.00 0.00 H new ATOM 0 HB VAL A 22 0.394 6.411 -9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.085 5.604 -11.638 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.378 4.260 -10.710 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.069 4.740 -10.432 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.531 7.775 -10.546 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.532 6.999 -9.296 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.146 8.012 -8.825 1.00 0.00 H new ATOM 269 N ILE A 23 -2.919 5.189 -7.603 1.00 0.00 N ATOM 270 CA ILE A 23 -4.186 4.498 -7.402 1.00 0.00 C ATOM 271 C ILE A 23 -4.920 4.301 -8.724 1.00 0.00 C ATOM 272 O ILE A 23 -5.699 5.155 -9.146 1.00 0.00 O ATOM 273 CB ILE A 23 -5.100 5.269 -6.431 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.450 5.358 -5.048 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.462 4.598 -6.340 1.00 0.00 C ATOM 276 CD1 ILE A 23 -4.522 4.068 -4.263 1.00 0.00 C ATOM 0 H ILE A 23 -2.939 6.182 -7.372 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.950 3.525 -6.971 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.240 6.280 -6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.405 5.645 -5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.936 6.149 -4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.096 5.154 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.926 4.581 -7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.341 3.577 -5.978 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.042 4.205 -3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.565 3.790 -4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.010 3.278 -4.813 1.00 0.00 H new ATOM 288 N GLU A 24 -4.667 3.167 -9.371 1.00 0.00 N ATOM 289 CA GLU A 24 -5.306 2.858 -10.645 1.00 0.00 C ATOM 290 C GLU A 24 -6.812 2.688 -10.472 1.00 0.00 C ATOM 291 O GLU A 24 -7.603 3.232 -11.243 1.00 0.00 O ATOM 292 CB GLU A 24 -4.704 1.586 -11.247 1.00 0.00 C ATOM 293 CG GLU A 24 -4.867 1.489 -12.754 1.00 0.00 C ATOM 294 CD GLU A 24 -3.950 0.453 -13.375 1.00 0.00 C ATOM 295 OE1 GLU A 24 -3.643 -0.550 -12.698 1.00 0.00 O ATOM 296 OE2 GLU A 24 -3.540 0.646 -14.539 1.00 0.00 O ATOM 0 H GLU A 24 -4.026 2.449 -9.035 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.128 3.693 -11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.643 1.545 -11.002 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.172 0.718 -10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.902 1.240 -12.988 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.665 2.462 -13.201 1.00 0.00 H new ATOM 303 N LYS A 25 -7.202 1.927 -9.455 1.00 0.00 N ATOM 304 CA LYS A 25 -8.613 1.685 -9.177 1.00 0.00 C ATOM 305 C LYS A 25 -8.888 1.728 -7.678 1.00 0.00 C ATOM 306 O LYS A 25 -8.003 1.453 -6.866 1.00 0.00 O ATOM 307 CB LYS A 25 -9.040 0.330 -9.746 1.00 0.00 C ATOM 308 CG LYS A 25 -10.478 0.301 -10.235 1.00 0.00 C ATOM 309 CD LYS A 25 -11.426 -0.182 -9.151 1.00 0.00 C ATOM 310 CE LYS A 25 -12.878 -0.079 -9.593 1.00 0.00 C ATOM 311 NZ LYS A 25 -13.280 -1.229 -10.450 1.00 0.00 N ATOM 0 H LYS A 25 -6.560 1.467 -8.809 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.193 2.474 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.379 0.068 -10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.910 -0.434 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.773 1.299 -10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.555 -0.352 -11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.194 -1.217 -8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.277 0.408 -8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.523 -0.037 -8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.026 0.851 -10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.276 -1.122 -10.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.682 -1.254 -11.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.164 -2.115 -9.919 1.00 0.00 H new ATOM 325 N LEU A 26 -10.119 2.071 -7.316 1.00 0.00 N ATOM 326 CA LEU A 26 -10.512 2.148 -5.913 1.00 0.00 C ATOM 327 C LEU A 26 -11.969 1.738 -5.732 1.00 0.00 C ATOM 328 O LEU A 26 -12.831 2.093 -6.538 1.00 0.00 O ATOM 329 CB LEU A 26 -10.300 3.567 -5.381 1.00 0.00 C ATOM 330 CG LEU A 26 -10.112 3.695 -3.869 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.639 3.591 -3.504 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.695 5.009 -3.369 1.00 0.00 C ATOM 0 H LEU A 26 -10.863 2.300 -7.975 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.887 1.457 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.425 3.991 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.156 4.175 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.644 2.876 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.524 3.684 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.251 2.625 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.085 4.389 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.552 5.083 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.191 5.841 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.760 5.045 -3.597 1.00 0.00 H new ATOM 344 N LEU A 27 -12.240 0.989 -4.669 1.00 0.00 N ATOM 345 CA LEU A 27 -13.594 0.531 -4.380 1.00 0.00 C ATOM 346 C LEU A 27 -13.960 0.796 -2.923 1.00 0.00 C ATOM 347 O LEU A 27 -13.188 1.402 -2.178 1.00 0.00 O ATOM 348 CB LEU A 27 -13.726 -0.962 -4.687 1.00 0.00 C ATOM 349 CG LEU A 27 -13.432 -1.379 -6.129 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.952 -1.677 -6.307 1.00 0.00 C ATOM 351 CD2 LEU A 27 -14.272 -2.587 -6.516 1.00 0.00 C ATOM 0 H LEU A 27 -11.539 0.686 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.282 1.089 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.053 -1.509 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.740 -1.275 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.696 -0.552 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.762 -1.972 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.370 -0.786 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.661 -2.487 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.050 -2.870 -7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.039 -3.420 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.330 -2.338 -6.428 1.00 0.00 H new ATOM 363 N THR A 28 -15.140 0.336 -2.521 1.00 0.00 N ATOM 364 CA THR A 28 -15.608 0.522 -1.153 1.00 0.00 C ATOM 365 C THR A 28 -14.984 -0.505 -0.214 1.00 0.00 C ATOM 366 O THR A 28 -14.962 -0.316 1.002 1.00 0.00 O ATOM 367 CB THR A 28 -17.142 0.417 -1.064 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.749 1.512 -1.760 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.601 0.415 0.386 1.00 0.00 C ATOM 0 H THR A 28 -15.790 -0.169 -3.124 1.00 0.00 H new ATOM 0 HA THR A 28 -15.302 1.523 -0.848 1.00 0.00 H new ATOM 0 HB THR A 28 -17.447 -0.522 -1.527 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.724 1.437 -1.700 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.688 0.340 0.424 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.160 -0.436 0.906 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.284 1.339 0.869 1.00 0.00 H new ATOM 377 N SER A 29 -14.478 -1.592 -0.787 1.00 0.00 N ATOM 378 CA SER A 29 -13.856 -2.651 0.000 1.00 0.00 C ATOM 379 C SER A 29 -12.335 -2.563 -0.076 1.00 0.00 C ATOM 380 O SER A 29 -11.639 -2.790 0.913 1.00 0.00 O ATOM 381 CB SER A 29 -14.324 -4.022 -0.492 1.00 0.00 C ATOM 382 OG SER A 29 -15.617 -4.328 0.001 1.00 0.00 O ATOM 0 H SER A 29 -14.486 -1.763 -1.793 1.00 0.00 H new ATOM 0 HA SER A 29 -14.158 -2.523 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.334 -4.036 -1.582 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.618 -4.788 -0.170 1.00 0.00 H new ATOM 0 HG SER A 29 -15.893 -5.208 -0.329 1.00 0.00 H new ATOM 388 N TYR A 30 -11.827 -2.232 -1.258 1.00 0.00 N ATOM 389 CA TYR A 30 -10.388 -2.116 -1.465 1.00 0.00 C ATOM 390 C TYR A 30 -10.083 -1.391 -2.773 1.00 0.00 C ATOM 391 O TYR A 30 -10.989 -0.933 -3.468 1.00 0.00 O ATOM 392 CB TYR A 30 -9.739 -3.501 -1.474 1.00 0.00 C ATOM 393 CG TYR A 30 -10.552 -4.546 -2.205 1.00 0.00 C ATOM 394 CD1 TYR A 30 -11.191 -4.245 -3.401 1.00 0.00 C ATOM 395 CD2 TYR A 30 -10.681 -5.833 -1.699 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.936 -5.196 -4.072 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.422 -6.791 -2.364 1.00 0.00 C ATOM 398 CZ TYR A 30 -12.047 -6.467 -3.550 1.00 0.00 C ATOM 399 OH TYR A 30 -12.787 -7.418 -4.215 1.00 0.00 O ATOM 0 H TYR A 30 -12.390 -2.039 -2.087 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.974 -1.534 -0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.755 -3.429 -1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.584 -3.827 -0.446 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.104 -3.251 -3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.194 -6.089 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.428 -4.945 -5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.511 -7.788 -1.958 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.763 -8.260 -3.714 1.00 0.00 H new ATOM 409 N GLY A 31 -8.798 -1.291 -3.101 1.00 0.00 N ATOM 410 CA GLY A 31 -8.395 -0.622 -4.324 1.00 0.00 C ATOM 411 C GLY A 31 -7.100 -1.174 -4.886 1.00 0.00 C ATOM 412 O GLY A 31 -6.387 -1.916 -4.210 1.00 0.00 O ATOM 0 H GLY A 31 -8.030 -1.661 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.184 -0.726 -5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.278 0.444 -4.130 1.00 0.00 H new ATOM 416 N PHE A 32 -6.795 -0.812 -6.128 1.00 0.00 N ATOM 417 CA PHE A 32 -5.578 -1.278 -6.783 1.00 0.00 C ATOM 418 C PHE A 32 -4.618 -0.119 -7.035 1.00 0.00 C ATOM 419 O PHE A 32 -5.040 0.988 -7.371 1.00 0.00 O ATOM 420 CB PHE A 32 -5.918 -1.971 -8.104 1.00 0.00 C ATOM 421 CG PHE A 32 -6.810 -3.167 -7.941 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.178 -3.012 -7.786 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.282 -4.448 -7.944 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.002 -4.111 -7.635 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.100 -5.552 -7.794 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.462 -5.383 -7.640 1.00 0.00 C ATOM 0 H PHE A 32 -7.374 -0.198 -6.701 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.090 -1.993 -6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.402 -1.254 -8.767 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.993 -2.281 -8.591 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.606 -2.020 -7.783 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.218 -4.586 -8.065 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.067 -3.976 -7.513 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.675 -6.545 -7.797 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.104 -6.244 -7.524 1.00 0.00 H new ATOM 436 N ILE A 33 -3.326 -0.382 -6.871 1.00 0.00 N ATOM 437 CA ILE A 33 -2.306 0.638 -7.082 1.00 0.00 C ATOM 438 C ILE A 33 -1.339 0.228 -8.187 1.00 0.00 C ATOM 439 O ILE A 33 -0.655 -0.789 -8.079 1.00 0.00 O ATOM 440 CB ILE A 33 -1.509 0.912 -5.792 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.411 1.555 -4.737 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.312 1.803 -6.089 1.00 0.00 C ATOM 443 CD1 ILE A 33 -2.004 1.232 -3.316 1.00 0.00 C ATOM 0 H ILE A 33 -2.961 -1.293 -6.593 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.826 1.549 -7.378 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.142 -0.036 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.401 2.637 -4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.437 1.223 -4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.241 1.988 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.339 1.309 -6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.658 2.751 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.687 1.721 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.042 0.153 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.989 1.589 -3.138 1.00 0.00 H new ATOM 455 N GLN A 34 -1.286 1.029 -9.246 1.00 0.00 N ATOM 456 CA GLN A 34 -0.401 0.749 -10.371 1.00 0.00 C ATOM 457 C GLN A 34 1.035 1.149 -10.046 1.00 0.00 C ATOM 458 O GLN A 34 1.361 2.336 -9.989 1.00 0.00 O ATOM 459 CB GLN A 34 -0.879 1.491 -11.620 1.00 0.00 C ATOM 460 CG GLN A 34 -0.004 1.254 -12.841 1.00 0.00 C ATOM 461 CD GLN A 34 -0.527 0.141 -13.726 1.00 0.00 C ATOM 462 OE1 GLN A 34 -1.020 0.387 -14.827 1.00 0.00 O ATOM 463 NE2 GLN A 34 -0.421 -1.094 -13.250 1.00 0.00 N ATOM 0 H GLN A 34 -1.845 1.876 -9.349 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.426 -0.324 -10.563 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.899 1.181 -11.848 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.910 2.560 -11.408 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.061 2.174 -13.421 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.008 1.010 -12.517 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.006 -1.253 -12.332 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.755 -1.884 -13.802 1.00 0.00 H new ATOM 472 N CYS A 35 1.887 0.153 -9.833 1.00 0.00 N ATOM 473 CA CYS A 35 3.288 0.401 -9.512 1.00 0.00 C ATOM 474 C CYS A 35 4.008 1.054 -10.688 1.00 0.00 C ATOM 475 O CYS A 35 4.232 0.422 -11.720 1.00 0.00 O ATOM 476 CB CYS A 35 3.986 -0.906 -9.134 1.00 0.00 C ATOM 477 SG CYS A 35 3.223 -1.774 -7.743 1.00 0.00 S ATOM 0 H CYS A 35 1.633 -0.834 -9.877 1.00 0.00 H new ATOM 0 HA CYS A 35 3.325 1.083 -8.662 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.992 -1.566 -10.001 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.026 -0.692 -8.889 1.00 0.00 H new ATOM 0 HG CYS A 35 3.882 -2.868 -7.500 1.00 0.00 H new ATOM 483 N SER A 36 4.366 2.324 -10.525 1.00 0.00 N ATOM 484 CA SER A 36 5.055 3.064 -11.575 1.00 0.00 C ATOM 485 C SER A 36 6.545 2.734 -11.585 1.00 0.00 C ATOM 486 O SER A 36 7.328 3.371 -12.288 1.00 0.00 O ATOM 487 CB SER A 36 4.857 4.569 -11.382 1.00 0.00 C ATOM 488 OG SER A 36 3.567 4.972 -11.808 1.00 0.00 O ATOM 0 H SER A 36 4.190 2.861 -9.676 1.00 0.00 H new ATOM 0 HA SER A 36 4.628 2.768 -12.533 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.993 4.825 -10.331 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.616 5.114 -11.944 1.00 0.00 H new ATOM 0 HG SER A 36 3.465 5.937 -11.673 1.00 0.00 H new ATOM 494 N GLU A 37 6.927 1.731 -10.800 1.00 0.00 N ATOM 495 CA GLU A 37 8.323 1.316 -10.718 1.00 0.00 C ATOM 496 C GLU A 37 8.524 -0.048 -11.373 1.00 0.00 C ATOM 497 O GLU A 37 9.515 -0.275 -12.067 1.00 0.00 O ATOM 498 CB GLU A 37 8.778 1.265 -9.258 1.00 0.00 C ATOM 499 CG GLU A 37 8.492 2.543 -8.486 1.00 0.00 C ATOM 500 CD GLU A 37 9.499 2.794 -7.381 1.00 0.00 C ATOM 501 OE1 GLU A 37 9.897 1.821 -6.707 1.00 0.00 O ATOM 502 OE2 GLU A 37 9.889 3.965 -7.191 1.00 0.00 O ATOM 0 H GLU A 37 6.291 1.192 -10.213 1.00 0.00 H new ATOM 0 HA GLU A 37 8.926 2.050 -11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.282 0.431 -8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.849 1.064 -9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.496 3.388 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.492 2.487 -8.056 1.00 0.00 H new ATOM 509 N ARG A 38 7.577 -0.952 -11.146 1.00 0.00 N ATOM 510 CA ARG A 38 7.650 -2.294 -11.711 1.00 0.00 C ATOM 511 C ARG A 38 6.675 -2.447 -12.875 1.00 0.00 C ATOM 512 O ARG A 38 6.671 -3.468 -13.562 1.00 0.00 O ATOM 513 CB ARG A 38 7.347 -3.340 -10.637 1.00 0.00 C ATOM 514 CG ARG A 38 5.885 -3.385 -10.226 1.00 0.00 C ATOM 515 CD ARG A 38 5.554 -4.670 -9.483 1.00 0.00 C ATOM 516 NE ARG A 38 5.814 -5.855 -10.296 1.00 0.00 N ATOM 517 CZ ARG A 38 5.867 -7.087 -9.802 1.00 0.00 C ATOM 518 NH1 ARG A 38 5.678 -7.295 -8.507 1.00 0.00 N ATOM 519 NH2 ARG A 38 6.109 -8.115 -10.606 1.00 0.00 N ATOM 0 H ARG A 38 6.750 -0.779 -10.575 1.00 0.00 H new ATOM 0 HA ARG A 38 8.662 -2.450 -12.084 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.643 -4.322 -11.005 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.957 -3.133 -9.758 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.658 -2.528 -9.592 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.254 -3.303 -11.111 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.144 -4.722 -8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.505 -4.657 -9.186 1.00 0.00 H new ATOM 0 HE ARG A 38 5.963 -5.730 -11.297 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.491 -6.508 -7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.719 -8.242 -8.131 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.254 -7.959 -11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.150 -9.061 -10.226 1.00 0.00 H new ATOM 533 N GLN A 39 5.852 -1.426 -13.090 1.00 0.00 N ATOM 534 CA GLN A 39 4.873 -1.448 -14.170 1.00 0.00 C ATOM 535 C GLN A 39 3.865 -2.574 -13.966 1.00 0.00 C ATOM 536 O GLN A 39 3.465 -3.242 -14.920 1.00 0.00 O ATOM 537 CB GLN A 39 5.574 -1.613 -15.519 1.00 0.00 C ATOM 538 CG GLN A 39 6.522 -0.473 -15.855 1.00 0.00 C ATOM 539 CD GLN A 39 5.840 0.650 -16.611 1.00 0.00 C ATOM 540 OE1 GLN A 39 4.616 0.672 -16.741 1.00 0.00 O ATOM 541 NE2 GLN A 39 6.631 1.591 -17.114 1.00 0.00 N ATOM 0 H GLN A 39 5.844 -0.573 -12.531 1.00 0.00 H new ATOM 0 HA GLN A 39 4.337 -0.499 -14.161 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.131 -2.550 -15.517 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.821 -1.692 -16.303 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.950 -0.078 -14.934 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.349 -0.857 -16.452 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.641 1.533 -16.982 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.229 2.372 -17.632 1.00 0.00 H new ATOM 550 N ALA A 40 3.457 -2.779 -12.718 1.00 0.00 N ATOM 551 CA ALA A 40 2.494 -3.823 -12.390 1.00 0.00 C ATOM 552 C ALA A 40 1.395 -3.289 -11.479 1.00 0.00 C ATOM 553 O ALA A 40 1.659 -2.514 -10.560 1.00 0.00 O ATOM 554 CB ALA A 40 3.198 -5.004 -11.737 1.00 0.00 C ATOM 0 H ALA A 40 3.779 -2.235 -11.917 1.00 0.00 H new ATOM 0 HA ALA A 40 2.029 -4.159 -13.317 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.467 -5.776 -11.497 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.942 -5.409 -12.423 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.690 -4.674 -10.822 1.00 0.00 H new ATOM 560 N ARG A 41 0.161 -3.708 -11.739 1.00 0.00 N ATOM 561 CA ARG A 41 -0.979 -3.270 -10.943 1.00 0.00 C ATOM 562 C ARG A 41 -1.110 -4.108 -9.674 1.00 0.00 C ATOM 563 O ARG A 41 -1.409 -5.301 -9.733 1.00 0.00 O ATOM 564 CB ARG A 41 -2.267 -3.363 -11.763 1.00 0.00 C ATOM 565 CG ARG A 41 -2.849 -4.766 -11.826 1.00 0.00 C ATOM 566 CD ARG A 41 -3.677 -4.969 -13.085 1.00 0.00 C ATOM 567 NE ARG A 41 -3.814 -6.382 -13.428 1.00 0.00 N ATOM 568 CZ ARG A 41 -4.689 -7.198 -12.850 1.00 0.00 C ATOM 569 NH1 ARG A 41 -5.501 -6.742 -11.906 1.00 0.00 N ATOM 570 NH2 ARG A 41 -4.753 -8.471 -13.216 1.00 0.00 N ATOM 0 H ARG A 41 -0.075 -4.351 -12.495 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.813 -2.231 -10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.010 -2.690 -11.335 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.068 -3.015 -12.777 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.042 -5.498 -11.798 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.470 -4.943 -10.948 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.666 -4.533 -12.943 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.211 -4.438 -13.915 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.204 -6.764 -14.151 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.455 -5.763 -11.622 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.172 -7.370 -11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.130 -8.825 -13.942 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.425 -9.096 -12.771 1.00 0.00 H new ATOM 584 N LEU A 42 -0.883 -3.475 -8.528 1.00 0.00 N ATOM 585 CA LEU A 42 -0.974 -4.161 -7.244 1.00 0.00 C ATOM 586 C LEU A 42 -2.384 -4.059 -6.671 1.00 0.00 C ATOM 587 O LEU A 42 -3.219 -3.309 -7.179 1.00 0.00 O ATOM 588 CB LEU A 42 0.034 -3.573 -6.256 1.00 0.00 C ATOM 589 CG LEU A 42 1.420 -4.218 -6.247 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.241 -3.703 -5.075 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.302 -5.735 -6.192 1.00 0.00 C ATOM 0 H LEU A 42 -0.635 -2.488 -8.462 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.742 -5.214 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.151 -2.512 -6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.386 -3.647 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 42 1.932 -3.946 -7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.224 -4.173 -5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.355 -2.622 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.733 -3.944 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.298 -6.177 -6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.770 -6.026 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.753 -6.089 -7.064 1.00 0.00 H new ATOM 603 N PHE A 43 -2.643 -4.816 -5.610 1.00 0.00 N ATOM 604 CA PHE A 43 -3.952 -4.809 -4.967 1.00 0.00 C ATOM 605 C PHE A 43 -3.827 -4.469 -3.485 1.00 0.00 C ATOM 606 O PHE A 43 -3.400 -5.297 -2.680 1.00 0.00 O ATOM 607 CB PHE A 43 -4.632 -6.170 -5.134 1.00 0.00 C ATOM 608 CG PHE A 43 -5.527 -6.537 -3.985 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.337 -5.585 -3.388 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.559 -7.836 -3.503 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.160 -5.921 -2.330 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.380 -8.178 -2.446 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.183 -7.219 -1.859 1.00 0.00 C ATOM 0 H PHE A 43 -1.964 -5.442 -5.177 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.562 -4.044 -5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.218 -6.164 -6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.867 -6.938 -5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.325 -4.569 -3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.935 -8.590 -3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.785 -5.169 -1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.394 -9.194 -2.079 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.827 -7.484 -1.034 1.00 0.00 H new ATOM 623 N PHE A 44 -4.204 -3.244 -3.132 1.00 0.00 N ATOM 624 CA PHE A 44 -4.134 -2.793 -1.747 1.00 0.00 C ATOM 625 C PHE A 44 -5.510 -2.840 -1.089 1.00 0.00 C ATOM 626 O PHE A 44 -6.518 -2.496 -1.707 1.00 0.00 O ATOM 627 CB PHE A 44 -3.572 -1.371 -1.680 1.00 0.00 C ATOM 628 CG PHE A 44 -4.630 -0.306 -1.726 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.223 0.151 -0.560 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.031 0.239 -2.935 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.198 1.130 -0.600 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.004 1.220 -2.981 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.588 1.666 -1.812 1.00 0.00 C ATOM 0 H PHE A 44 -4.561 -2.547 -3.785 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.469 -3.465 -1.205 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.995 -1.260 -0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.882 -1.222 -2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.920 -0.262 0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.578 -0.107 -3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.655 1.476 0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.307 1.637 -3.930 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.348 2.432 -1.845 1.00 0.00 H new ATOM 643 N HIS A 45 -5.543 -3.268 0.169 1.00 0.00 N ATOM 644 CA HIS A 45 -6.795 -3.360 0.912 1.00 0.00 C ATOM 645 C HIS A 45 -7.057 -2.078 1.697 1.00 0.00 C ATOM 646 O HIS A 45 -6.135 -1.484 2.258 1.00 0.00 O ATOM 647 CB HIS A 45 -6.762 -4.557 1.862 1.00 0.00 C ATOM 648 CG HIS A 45 -8.088 -5.236 2.018 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.258 -4.552 2.273 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.425 -6.545 1.951 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.257 -5.412 2.358 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.779 -6.628 2.166 1.00 0.00 N ATOM 0 H HIS A 45 -4.718 -3.556 0.695 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.605 -3.497 0.195 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.034 -5.281 1.496 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.416 -4.224 2.841 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.754 -7.370 1.763 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.290 -5.163 2.552 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.326 -7.489 2.176 1.00 0.00 H new ATOM 661 N CYS A 46 -8.316 -1.658 1.732 1.00 0.00 N ATOM 662 CA CYS A 46 -8.698 -0.446 2.448 1.00 0.00 C ATOM 663 C CYS A 46 -8.230 -0.500 3.898 1.00 0.00 C ATOM 664 O CYS A 46 -8.208 0.516 4.592 1.00 0.00 O ATOM 665 CB CYS A 46 -10.215 -0.255 2.396 1.00 0.00 C ATOM 666 SG CYS A 46 -10.821 0.420 0.832 1.00 0.00 S ATOM 0 H CYS A 46 -9.090 -2.138 1.273 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.215 0.401 1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.698 -1.216 2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.515 0.409 3.207 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.114 0.543 0.884 1.00 0.00 H new ATOM 672 N SER A 47 -7.856 -1.693 4.350 1.00 0.00 N ATOM 673 CA SER A 47 -7.393 -1.881 5.719 1.00 0.00 C ATOM 674 C SER A 47 -5.927 -1.483 5.857 1.00 0.00 C ATOM 675 O SER A 47 -5.495 -1.018 6.911 1.00 0.00 O ATOM 676 CB SER A 47 -7.580 -3.338 6.148 1.00 0.00 C ATOM 677 OG SER A 47 -6.480 -4.134 5.743 1.00 0.00 O ATOM 0 H SER A 47 -7.865 -2.544 3.787 1.00 0.00 H new ATOM 0 HA SER A 47 -7.988 -1.239 6.368 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.691 -3.390 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.498 -3.733 5.714 1.00 0.00 H new ATOM 0 HG SER A 47 -6.623 -5.060 6.030 1.00 0.00 H new ATOM 683 N GLN A 48 -5.166 -1.670 4.782 1.00 0.00 N ATOM 684 CA GLN A 48 -3.748 -1.331 4.782 1.00 0.00 C ATOM 685 C GLN A 48 -3.546 0.166 4.989 1.00 0.00 C ATOM 686 O GLN A 48 -2.789 0.586 5.864 1.00 0.00 O ATOM 687 CB GLN A 48 -3.097 -1.770 3.469 1.00 0.00 C ATOM 688 CG GLN A 48 -3.295 -3.244 3.155 1.00 0.00 C ATOM 689 CD GLN A 48 -2.779 -4.150 4.256 1.00 0.00 C ATOM 690 OE1 GLN A 48 -2.032 -3.716 5.134 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.174 -5.417 4.215 1.00 0.00 N ATOM 0 H GLN A 48 -5.508 -2.054 3.901 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.274 -1.860 5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.507 -1.175 2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.029 -1.557 3.514 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.356 -3.439 2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.784 -3.485 2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.794 -5.734 3.469 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.858 -6.073 4.929 1.00 0.00 H new ATOM 700 N TYR A 49 -4.227 0.967 4.177 1.00 0.00 N ATOM 701 CA TYR A 49 -4.120 2.418 4.269 1.00 0.00 C ATOM 702 C TYR A 49 -4.357 2.893 5.699 1.00 0.00 C ATOM 703 O TYR A 49 -5.373 2.569 6.312 1.00 0.00 O ATOM 704 CB TYR A 49 -5.124 3.085 3.326 1.00 0.00 C ATOM 705 CG TYR A 49 -4.992 4.590 3.268 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.743 5.197 3.231 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.117 5.405 3.248 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.618 6.572 3.179 1.00 0.00 C ATOM 709 CE2 TYR A 49 -6.002 6.781 3.195 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.750 7.359 3.160 1.00 0.00 C ATOM 711 OH TYR A 49 -4.630 8.729 3.107 1.00 0.00 O ATOM 0 H TYR A 49 -4.859 0.636 3.448 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.110 2.701 3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.994 2.678 2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.134 2.829 3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.854 4.583 3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.099 4.955 3.274 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.639 7.028 3.153 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.887 7.400 3.181 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.522 9.135 3.099 1.00 0.00 H new ATOM 721 N ASN A 50 -3.410 3.663 6.224 1.00 0.00 N ATOM 722 CA ASN A 50 -3.514 4.183 7.583 1.00 0.00 C ATOM 723 C ASN A 50 -4.449 5.388 7.634 1.00 0.00 C ATOM 724 O ASN A 50 -5.247 5.528 8.559 1.00 0.00 O ATOM 725 CB ASN A 50 -2.131 4.574 8.109 1.00 0.00 C ATOM 726 CG ASN A 50 -1.576 5.804 7.417 1.00 0.00 C ATOM 727 OD1 ASN A 50 -1.699 5.956 6.202 1.00 0.00 O ATOM 728 ND2 ASN A 50 -0.960 6.690 8.191 1.00 0.00 N ATOM 0 H ASN A 50 -2.562 3.941 5.730 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.927 3.397 8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.192 4.760 9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.443 3.740 7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.566 7.537 7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.881 6.523 9.194 1.00 0.00 H new ATOM 735 N GLY A 51 -4.343 6.255 6.632 1.00 0.00 N ATOM 736 CA GLY A 51 -5.185 7.437 6.581 1.00 0.00 C ATOM 737 C GLY A 51 -6.657 7.094 6.474 1.00 0.00 C ATOM 738 O GLY A 51 -7.119 6.119 7.065 1.00 0.00 O ATOM 0 H GLY A 51 -3.689 6.161 5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.019 8.037 7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.895 8.050 5.728 1.00 0.00 H new ATOM 742 N ASN A 52 -7.397 7.901 5.720 1.00 0.00 N ATOM 743 CA ASN A 52 -8.828 7.679 5.540 1.00 0.00 C ATOM 744 C ASN A 52 -9.176 7.554 4.060 1.00 0.00 C ATOM 745 O ASN A 52 -9.074 8.519 3.302 1.00 0.00 O ATOM 746 CB ASN A 52 -9.625 8.824 6.167 1.00 0.00 C ATOM 747 CG ASN A 52 -11.123 8.617 6.053 1.00 0.00 C ATOM 748 OD1 ASN A 52 -11.582 7.572 5.592 1.00 0.00 O ATOM 749 ND2 ASN A 52 -11.892 9.615 6.472 1.00 0.00 N ATOM 0 H ASN A 52 -7.030 8.714 5.224 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.092 6.746 6.038 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.353 8.919 7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.353 9.761 5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -12.907 9.533 6.419 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.467 10.463 6.847 1.00 0.00 H new ATOM 756 N LEU A 53 -9.589 6.358 3.655 1.00 0.00 N ATOM 757 CA LEU A 53 -9.954 6.105 2.265 1.00 0.00 C ATOM 758 C LEU A 53 -10.606 7.334 1.641 1.00 0.00 C ATOM 759 O LEU A 53 -10.294 7.706 0.510 1.00 0.00 O ATOM 760 CB LEU A 53 -10.905 4.909 2.177 1.00 0.00 C ATOM 761 CG LEU A 53 -10.249 3.546 1.954 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.464 3.537 0.651 1.00 0.00 C ATOM 763 CD2 LEU A 53 -9.345 3.190 3.125 1.00 0.00 C ATOM 0 H LEU A 53 -9.680 5.548 4.269 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.043 5.879 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.486 4.864 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.609 5.089 1.364 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.035 2.794 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.004 2.559 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.137 3.745 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.687 4.301 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.887 2.217 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.565 3.945 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.934 3.153 4.041 1.00 0.00 H new ATOM 775 N GLN A 54 -11.511 7.961 2.386 1.00 0.00 N ATOM 776 CA GLN A 54 -12.205 9.149 1.906 1.00 0.00 C ATOM 777 C GLN A 54 -11.235 10.107 1.221 1.00 0.00 C ATOM 778 O GLN A 54 -11.492 10.579 0.113 1.00 0.00 O ATOM 779 CB GLN A 54 -12.908 9.859 3.064 1.00 0.00 C ATOM 780 CG GLN A 54 -14.003 9.028 3.712 1.00 0.00 C ATOM 781 CD GLN A 54 -14.943 9.861 4.561 1.00 0.00 C ATOM 782 OE1 GLN A 54 -14.735 11.061 4.743 1.00 0.00 O ATOM 783 NE2 GLN A 54 -15.985 9.227 5.087 1.00 0.00 N ATOM 0 H GLN A 54 -11.780 7.665 3.324 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.951 8.832 1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.168 10.123 3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.339 10.792 2.700 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.575 8.519 2.936 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.549 8.255 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -16.119 8.231 4.910 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.651 9.736 5.668 1.00 0.00 H new ATOM 792 N ASP A 55 -10.121 10.389 1.887 1.00 0.00 N ATOM 793 CA ASP A 55 -9.112 11.290 1.343 1.00 0.00 C ATOM 794 C ASP A 55 -8.461 10.689 0.101 1.00 0.00 C ATOM 795 O ASP A 55 -8.140 11.402 -0.851 1.00 0.00 O ATOM 796 CB ASP A 55 -8.046 11.594 2.397 1.00 0.00 C ATOM 797 CG ASP A 55 -8.508 12.627 3.406 1.00 0.00 C ATOM 798 OD1 ASP A 55 -9.155 13.612 2.993 1.00 0.00 O ATOM 799 OD2 ASP A 55 -8.223 12.449 4.609 1.00 0.00 O ATOM 0 H ASP A 55 -9.894 10.006 2.805 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.605 12.220 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.782 10.674 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.142 11.951 1.903 1.00 0.00 H new ATOM 804 N LEU A 56 -8.266 9.375 0.119 1.00 0.00 N ATOM 805 CA LEU A 56 -7.652 8.678 -1.006 1.00 0.00 C ATOM 806 C LEU A 56 -8.576 8.680 -2.219 1.00 0.00 C ATOM 807 O LEU A 56 -9.799 8.675 -2.081 1.00 0.00 O ATOM 808 CB LEU A 56 -7.310 7.239 -0.613 1.00 0.00 C ATOM 809 CG LEU A 56 -6.114 6.614 -1.332 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.874 7.477 -1.156 1.00 0.00 C ATOM 811 CD2 LEU A 56 -5.862 5.203 -0.820 1.00 0.00 C ATOM 0 H LEU A 56 -8.524 8.771 0.900 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.735 9.204 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.118 7.212 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.185 6.616 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.343 6.557 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.033 7.016 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.058 8.468 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.641 7.567 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.007 4.773 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.654 5.236 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.744 4.588 -1.000 1.00 0.00 H new ATOM 823 N LYS A 57 -7.983 8.684 -3.408 1.00 0.00 N ATOM 824 CA LYS A 57 -8.751 8.683 -4.647 1.00 0.00 C ATOM 825 C LYS A 57 -7.936 8.091 -5.792 1.00 0.00 C ATOM 826 O LYS A 57 -6.715 7.967 -5.699 1.00 0.00 O ATOM 827 CB LYS A 57 -9.189 10.106 -5.001 1.00 0.00 C ATOM 828 CG LYS A 57 -8.030 11.064 -5.214 1.00 0.00 C ATOM 829 CD LYS A 57 -8.447 12.270 -6.038 1.00 0.00 C ATOM 830 CE LYS A 57 -7.281 12.828 -6.840 1.00 0.00 C ATOM 831 NZ LYS A 57 -6.847 11.891 -7.913 1.00 0.00 N ATOM 0 H LYS A 57 -6.972 8.688 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.635 8.064 -4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.795 10.076 -5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.825 10.490 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.649 11.396 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.214 10.544 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.254 11.988 -6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.840 13.044 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.569 13.781 -7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.443 13.028 -6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.251 12.399 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.303 11.110 -7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.683 11.508 -8.399 1.00 0.00 H new ATOM 845 N VAL A 58 -8.620 7.728 -6.873 1.00 0.00 N ATOM 846 CA VAL A 58 -7.959 7.152 -8.038 1.00 0.00 C ATOM 847 C VAL A 58 -7.217 8.220 -8.834 1.00 0.00 C ATOM 848 O VAL A 58 -7.833 9.073 -9.471 1.00 0.00 O ATOM 849 CB VAL A 58 -8.967 6.445 -8.963 1.00 0.00 C ATOM 850 CG1 VAL A 58 -8.330 6.135 -10.309 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.494 5.177 -8.308 1.00 0.00 C ATOM 0 H VAL A 58 -9.631 7.823 -6.966 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.244 6.419 -7.665 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.810 7.115 -9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.057 5.636 -10.949 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.008 7.063 -10.781 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.468 5.484 -10.162 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.205 4.691 -8.976 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.664 4.500 -8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.991 5.431 -7.372 1.00 0.00 H new ATOM 861 N GLY A 59 -5.889 8.166 -8.792 1.00 0.00 N ATOM 862 CA GLY A 59 -5.084 9.134 -9.514 1.00 0.00 C ATOM 863 C GLY A 59 -4.182 9.936 -8.597 1.00 0.00 C ATOM 864 O GLY A 59 -3.681 10.994 -8.979 1.00 0.00 O ATOM 0 H GLY A 59 -5.357 7.469 -8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.475 8.616 -10.255 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.740 9.813 -10.059 1.00 0.00 H new ATOM 868 N ASP A 60 -3.977 9.435 -7.385 1.00 0.00 N ATOM 869 CA ASP A 60 -3.130 10.112 -6.410 1.00 0.00 C ATOM 870 C ASP A 60 -1.951 9.231 -6.009 1.00 0.00 C ATOM 871 O ASP A 60 -2.099 8.021 -5.833 1.00 0.00 O ATOM 872 CB ASP A 60 -3.943 10.493 -5.172 1.00 0.00 C ATOM 873 CG ASP A 60 -4.588 11.859 -5.300 1.00 0.00 C ATOM 874 OD1 ASP A 60 -4.303 12.558 -6.294 1.00 0.00 O ATOM 875 OD2 ASP A 60 -5.377 12.229 -4.406 1.00 0.00 O ATOM 0 H ASP A 60 -4.386 8.561 -7.053 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.741 11.019 -6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.717 9.744 -5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.293 10.482 -4.297 1.00 0.00 H new ATOM 880 N ASP A 61 -0.782 9.845 -5.867 1.00 0.00 N ATOM 881 CA ASP A 61 0.423 9.116 -5.486 1.00 0.00 C ATOM 882 C ASP A 61 0.322 8.613 -4.049 1.00 0.00 C ATOM 883 O ASP A 61 -0.149 9.325 -3.163 1.00 0.00 O ATOM 884 CB ASP A 61 1.655 10.008 -5.642 1.00 0.00 C ATOM 885 CG ASP A 61 2.153 10.063 -7.073 1.00 0.00 C ATOM 886 OD1 ASP A 61 1.963 9.069 -7.806 1.00 0.00 O ATOM 887 OD2 ASP A 61 2.733 11.099 -7.460 1.00 0.00 O ATOM 0 H ASP A 61 -0.643 10.845 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 61 0.522 8.255 -6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.415 11.016 -5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.452 9.638 -4.997 1.00 0.00 H new ATOM 892 N VAL A 62 0.768 7.381 -3.827 1.00 0.00 N ATOM 893 CA VAL A 62 0.729 6.782 -2.498 1.00 0.00 C ATOM 894 C VAL A 62 1.850 5.764 -2.320 1.00 0.00 C ATOM 895 O VAL A 62 2.180 5.023 -3.245 1.00 0.00 O ATOM 896 CB VAL A 62 -0.623 6.092 -2.233 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.666 7.111 -1.799 1.00 0.00 C ATOM 898 CG2 VAL A 62 -1.086 5.336 -3.469 1.00 0.00 C ATOM 0 H VAL A 62 1.161 6.778 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 62 0.862 7.593 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.493 5.374 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.614 6.606 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.335 7.603 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.797 7.855 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.042 4.855 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.201 6.032 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.347 4.578 -3.730 1.00 0.00 H new ATOM 908 N GLU A 63 2.430 5.734 -1.125 1.00 0.00 N ATOM 909 CA GLU A 63 3.515 4.806 -0.827 1.00 0.00 C ATOM 910 C GLU A 63 2.998 3.592 -0.060 1.00 0.00 C ATOM 911 O GLU A 63 2.159 3.718 0.832 1.00 0.00 O ATOM 912 CB GLU A 63 4.607 5.507 -0.016 1.00 0.00 C ATOM 913 CG GLU A 63 5.931 4.762 -0.006 1.00 0.00 C ATOM 914 CD GLU A 63 6.813 5.155 1.163 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.381 4.975 2.320 1.00 0.00 O ATOM 916 OE2 GLU A 63 7.937 5.644 0.919 1.00 0.00 O ATOM 0 H GLU A 63 2.168 6.341 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 63 3.936 4.465 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.765 6.506 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.262 5.631 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.740 3.690 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.461 4.958 -0.938 1.00 0.00 H new ATOM 923 N PHE A 64 3.503 2.416 -0.416 1.00 0.00 N ATOM 924 CA PHE A 64 3.091 1.178 0.236 1.00 0.00 C ATOM 925 C PHE A 64 4.247 0.183 0.293 1.00 0.00 C ATOM 926 O PHE A 64 5.332 0.446 -0.225 1.00 0.00 O ATOM 927 CB PHE A 64 1.905 0.556 -0.505 1.00 0.00 C ATOM 928 CG PHE A 64 2.092 0.499 -1.994 1.00 0.00 C ATOM 929 CD1 PHE A 64 1.754 1.581 -2.790 1.00 0.00 C ATOM 930 CD2 PHE A 64 2.605 -0.638 -2.598 1.00 0.00 C ATOM 931 CE1 PHE A 64 1.925 1.532 -4.161 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.779 -0.693 -3.968 1.00 0.00 C ATOM 933 CZ PHE A 64 2.437 0.393 -4.751 1.00 0.00 C ATOM 0 H PHE A 64 4.198 2.294 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 64 2.789 1.417 1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.741 -0.454 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.006 1.130 -0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.352 2.474 -2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.872 -1.491 -1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.659 2.383 -4.770 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.182 -1.584 -4.426 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.570 0.351 -5.822 1.00 0.00 H new ATOM 943 N GLU A 65 4.005 -0.959 0.928 1.00 0.00 N ATOM 944 CA GLU A 65 5.026 -1.993 1.055 1.00 0.00 C ATOM 945 C GLU A 65 4.539 -3.314 0.467 1.00 0.00 C ATOM 946 O GLU A 65 3.464 -3.802 0.814 1.00 0.00 O ATOM 947 CB GLU A 65 5.408 -2.186 2.524 1.00 0.00 C ATOM 948 CG GLU A 65 5.877 -3.594 2.851 1.00 0.00 C ATOM 949 CD GLU A 65 6.847 -3.630 4.016 1.00 0.00 C ATOM 950 OE1 GLU A 65 7.387 -2.561 4.371 1.00 0.00 O ATOM 951 OE2 GLU A 65 7.065 -4.726 4.573 1.00 0.00 O ATOM 0 H GLU A 65 3.112 -1.192 1.362 1.00 0.00 H new ATOM 0 HA GLU A 65 5.905 -1.670 0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.198 -1.480 2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.548 -1.944 3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.013 -4.216 3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.354 -4.027 1.972 1.00 0.00 H new ATOM 958 N VAL A 66 5.339 -3.888 -0.427 1.00 0.00 N ATOM 959 CA VAL A 66 4.991 -5.152 -1.064 1.00 0.00 C ATOM 960 C VAL A 66 5.292 -6.331 -0.145 1.00 0.00 C ATOM 961 O VAL A 66 6.436 -6.544 0.255 1.00 0.00 O ATOM 962 CB VAL A 66 5.753 -5.341 -2.389 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.425 -6.692 -3.005 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.429 -4.212 -3.355 1.00 0.00 C ATOM 0 H VAL A 66 6.232 -3.497 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 66 3.921 -5.119 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 66 6.823 -5.314 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.972 -6.808 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.713 -7.486 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.354 -6.752 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.976 -4.361 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.359 -4.205 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.720 -3.259 -2.912 1.00 0.00 H new ATOM 974 N SER A 67 4.256 -7.095 0.186 1.00 0.00 N ATOM 975 CA SER A 67 4.407 -8.252 1.060 1.00 0.00 C ATOM 976 C SER A 67 3.863 -9.512 0.394 1.00 0.00 C ATOM 977 O SER A 67 3.362 -9.467 -0.729 1.00 0.00 O ATOM 978 CB SER A 67 3.687 -8.012 2.389 1.00 0.00 C ATOM 979 OG SER A 67 4.306 -8.731 3.442 1.00 0.00 O ATOM 0 H SER A 67 3.303 -6.933 -0.138 1.00 0.00 H new ATOM 0 HA SER A 67 5.471 -8.394 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.690 -6.947 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.644 -8.316 2.301 1.00 0.00 H new ATOM 0 HG SER A 67 3.828 -8.559 4.280 1.00 0.00 H new ATOM 985 N SER A 68 3.964 -10.636 1.097 1.00 0.00 N ATOM 986 CA SER A 68 3.485 -11.910 0.573 1.00 0.00 C ATOM 987 C SER A 68 2.376 -12.477 1.455 1.00 0.00 C ATOM 988 O SER A 68 2.631 -12.961 2.558 1.00 0.00 O ATOM 989 CB SER A 68 4.638 -12.911 0.477 1.00 0.00 C ATOM 990 OG SER A 68 5.341 -13.000 1.704 1.00 0.00 O ATOM 0 H SER A 68 4.373 -10.690 2.030 1.00 0.00 H new ATOM 0 HA SER A 68 3.080 -11.736 -0.424 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.250 -13.892 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.322 -12.608 -0.316 1.00 0.00 H new ATOM 0 HG SER A 68 4.701 -13.051 2.445 1.00 0.00 H new ATOM 996 N ASP A 69 1.145 -12.414 0.959 1.00 0.00 N ATOM 997 CA ASP A 69 -0.004 -12.922 1.700 1.00 0.00 C ATOM 998 C ASP A 69 0.270 -14.325 2.233 1.00 0.00 C ATOM 999 O ASP A 69 1.271 -14.950 1.879 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.247 -12.935 0.809 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.533 -12.936 1.610 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -2.541 -12.366 2.722 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.534 -13.504 1.126 1.00 0.00 O ATOM 0 H ASP A 69 0.917 -12.017 0.048 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.181 -12.259 2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.231 -12.063 0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.221 -13.816 0.167 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.624 -14.814 3.086 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.477 -16.142 3.669 1.00 0.00 C ATOM 1010 C ARG A 70 -1.540 -17.094 3.128 1.00 0.00 C ATOM 1011 O ARG A 70 -1.440 -18.310 3.292 1.00 0.00 O ATOM 1012 CB ARG A 70 -0.574 -16.066 5.194 1.00 0.00 C ATOM 1013 CG ARG A 70 0.714 -15.618 5.864 1.00 0.00 C ATOM 1014 CD ARG A 70 1.259 -14.348 5.231 1.00 0.00 C ATOM 1015 NE ARG A 70 0.226 -13.327 5.075 1.00 0.00 N ATOM 1016 CZ ARG A 70 -0.160 -12.516 6.053 1.00 0.00 C ATOM 1017 NH1 ARG A 70 0.399 -12.606 7.252 1.00 0.00 N ATOM 1018 NH2 ARG A 70 -1.107 -11.613 5.834 1.00 0.00 N ATOM 0 H ARG A 70 -1.458 -14.310 3.389 1.00 0.00 H new ATOM 0 HA ARG A 70 0.505 -16.526 3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.373 -15.376 5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.853 -17.046 5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.533 -15.448 6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.458 -16.411 5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.068 -13.954 5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.686 -14.583 4.256 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.224 -13.232 4.164 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.127 -13.299 7.425 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.101 -11.982 8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.540 -11.541 4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.402 -10.991 6.586 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.557 -16.532 2.483 1.00 0.00 N ATOM 1033 CA ARG A 71 -3.639 -17.330 1.920 1.00 0.00 C ATOM 1034 C ARG A 71 -3.418 -17.571 0.429 1.00 0.00 C ATOM 1035 O ARG A 71 -3.650 -18.671 -0.075 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.984 -16.634 2.140 1.00 0.00 C ATOM 1037 CG ARG A 71 -5.179 -16.123 3.559 1.00 0.00 C ATOM 1038 CD ARG A 71 -5.091 -17.251 4.574 1.00 0.00 C ATOM 1039 NE ARG A 71 -5.744 -16.905 5.834 1.00 0.00 N ATOM 1040 CZ ARG A 71 -7.061 -16.793 5.973 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -7.860 -16.998 4.935 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -7.580 -16.475 7.152 1.00 0.00 N ATOM 0 H ARG A 71 -2.654 -15.527 2.337 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.648 -18.293 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.069 -15.797 1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.788 -17.330 1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.423 -15.371 3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.150 -15.634 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.553 -18.148 4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.044 -17.489 4.762 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.157 -16.740 6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.464 -17.242 4.027 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.870 -16.911 5.044 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.968 -16.316 7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.591 -16.389 7.258 1.00 0.00 H new ATOM 1056 N THR A 72 -2.968 -16.535 -0.272 1.00 0.00 N ATOM 1057 CA THR A 72 -2.717 -16.633 -1.705 1.00 0.00 C ATOM 1058 C THR A 72 -1.229 -16.514 -2.011 1.00 0.00 C ATOM 1059 O THR A 72 -0.778 -16.874 -3.098 1.00 0.00 O ATOM 1060 CB THR A 72 -3.479 -15.544 -2.484 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.948 -14.253 -2.166 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.964 -15.583 -2.157 1.00 0.00 C ATOM 0 H THR A 72 -2.770 -15.618 0.129 1.00 0.00 H new ATOM 0 HA THR A 72 -3.073 -17.613 -2.023 1.00 0.00 H new ATOM 0 HB THR A 72 -3.354 -15.735 -3.550 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.436 -13.566 -2.666 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.481 -14.805 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.371 -16.557 -2.428 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.106 -15.415 -1.089 1.00 0.00 H new ATOM 1070 N GLY A 73 -0.468 -16.008 -1.045 1.00 0.00 N ATOM 1071 CA GLY A 73 0.962 -15.852 -1.232 1.00 0.00 C ATOM 1072 C GLY A 73 1.299 -14.906 -2.368 1.00 0.00 C ATOM 1073 O GLY A 73 2.422 -14.903 -2.871 1.00 0.00 O ATOM 0 H GLY A 73 -0.817 -15.703 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.407 -15.480 -0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.408 -16.827 -1.431 1.00 0.00 H new ATOM 1077 N LYS A 74 0.323 -14.101 -2.774 1.00 0.00 N ATOM 1078 CA LYS A 74 0.520 -13.146 -3.858 1.00 0.00 C ATOM 1079 C LYS A 74 1.040 -11.815 -3.323 1.00 0.00 C ATOM 1080 O LYS A 74 0.778 -11.433 -2.183 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.792 -12.926 -4.616 1.00 0.00 C ATOM 1082 CG LYS A 74 -1.408 -14.207 -5.150 1.00 0.00 C ATOM 1083 CD LYS A 74 -0.899 -14.533 -6.544 1.00 0.00 C ATOM 1084 CE LYS A 74 -1.460 -15.854 -7.048 1.00 0.00 C ATOM 1085 NZ LYS A 74 -1.155 -16.072 -8.489 1.00 0.00 N ATOM 0 H LYS A 74 -0.613 -14.091 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 74 1.263 -13.558 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.507 -12.438 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.611 -12.245 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.177 -15.031 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.493 -14.108 -5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.177 -13.733 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.190 -14.580 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.044 -16.673 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.540 -15.871 -6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.554 -16.983 -8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.573 -15.304 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.124 -16.082 -8.628 1.00 0.00 H new ATOM 1099 N PRO A 75 1.792 -11.092 -4.165 1.00 0.00 N ATOM 1100 CA PRO A 75 2.362 -9.792 -3.799 1.00 0.00 C ATOM 1101 C PRO A 75 1.297 -8.709 -3.665 1.00 0.00 C ATOM 1102 O PRO A 75 0.803 -8.185 -4.663 1.00 0.00 O ATOM 1103 CB PRO A 75 3.302 -9.476 -4.966 1.00 0.00 C ATOM 1104 CG PRO A 75 2.743 -10.235 -6.119 1.00 0.00 C ATOM 1105 CD PRO A 75 2.144 -11.486 -5.540 1.00 0.00 C ATOM 0 HA PRO A 75 2.859 -9.823 -2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.331 -8.406 -5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.324 -9.786 -4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.989 -9.648 -6.644 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.522 -10.474 -6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.268 -11.809 -6.102 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.853 -12.314 -5.552 1.00 0.00 H new ATOM 1113 N ILE A 76 0.950 -8.378 -2.426 1.00 0.00 N ATOM 1114 CA ILE A 76 -0.055 -7.356 -2.162 1.00 0.00 C ATOM 1115 C ILE A 76 0.553 -6.162 -1.435 1.00 0.00 C ATOM 1116 O ILE A 76 1.667 -6.238 -0.918 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.220 -7.915 -1.323 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.712 -8.392 0.040 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.910 -9.050 -2.064 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.742 -8.276 1.142 1.00 0.00 C ATOM 0 H ILE A 76 1.350 -8.803 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.438 -7.033 -3.130 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.947 -7.119 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.395 -9.432 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.169 -7.811 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.731 -9.434 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.301 -8.681 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.194 -9.849 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.314 -8.632 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.041 -7.234 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.614 -8.879 0.890 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.188 -5.059 -1.397 1.00 0.00 N ATOM 1133 CA ALA A 77 0.276 -3.849 -0.730 1.00 0.00 C ATOM 1134 C ALA A 77 -0.136 -3.839 0.738 1.00 0.00 C ATOM 1135 O ALA A 77 -1.143 -4.439 1.115 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.261 -2.615 -1.439 1.00 0.00 C ATOM 0 H ALA A 77 -1.112 -4.979 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 77 1.365 -3.835 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.094 -1.719 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.088 -2.608 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.351 -2.633 -1.425 1.00 0.00 H new ATOM 1142 N VAL A 78 0.649 -3.155 1.564 1.00 0.00 N ATOM 1143 CA VAL A 78 0.365 -3.067 2.992 1.00 0.00 C ATOM 1144 C VAL A 78 0.892 -1.762 3.577 1.00 0.00 C ATOM 1145 O VAL A 78 1.792 -1.135 3.018 1.00 0.00 O ATOM 1146 CB VAL A 78 0.984 -4.249 3.761 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.274 -5.547 3.407 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.474 -4.350 3.473 1.00 0.00 C ATOM 0 H VAL A 78 1.487 -2.654 1.269 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.719 -3.100 3.102 1.00 0.00 H new ATOM 0 HB VAL A 78 0.855 -4.073 4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.725 -6.371 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.781 -5.468 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.368 -5.733 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.895 -5.191 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.629 -4.503 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.968 -3.429 3.783 1.00 0.00 H new ATOM 1158 N LYS A 79 0.326 -1.356 4.709 1.00 0.00 N ATOM 1159 CA LYS A 79 0.739 -0.126 5.374 1.00 0.00 C ATOM 1160 C LYS A 79 0.806 1.032 4.383 1.00 0.00 C ATOM 1161 O LYS A 79 1.805 1.749 4.317 1.00 0.00 O ATOM 1162 CB LYS A 79 2.101 -0.317 6.044 1.00 0.00 C ATOM 1163 CG LYS A 79 2.142 -1.483 7.016 1.00 0.00 C ATOM 1164 CD LYS A 79 3.568 -1.833 7.407 1.00 0.00 C ATOM 1165 CE LYS A 79 4.244 -2.686 6.344 1.00 0.00 C ATOM 1166 NZ LYS A 79 5.400 -3.446 6.896 1.00 0.00 N ATOM 0 H LYS A 79 -0.421 -1.862 5.185 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.003 0.113 6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.857 -0.470 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.367 0.597 6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.570 -1.233 7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.664 -2.352 6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.140 -0.918 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.565 -2.368 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.519 -3.383 5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.585 -2.048 5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.620 -4.247 6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.228 -2.820 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.160 -3.803 7.843 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.263 1.210 3.615 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.326 2.283 2.628 1.00 0.00 C ATOM 1182 C LEU A 80 -0.255 3.649 3.303 1.00 0.00 C ATOM 1183 O LEU A 80 -0.677 3.810 4.447 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.613 2.173 1.808 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.464 2.351 0.297 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.365 0.999 -0.393 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.628 3.154 -0.264 1.00 0.00 C ATOM 0 H LEU A 80 -1.098 0.626 3.656 1.00 0.00 H new ATOM 0 HA LEU A 80 0.532 2.182 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.057 1.196 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.318 2.920 2.174 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.543 2.902 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.259 1.146 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.497 0.460 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.267 0.421 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.504 3.270 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.562 2.631 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.652 4.137 0.207 1.00 0.00 H new ATOM 1199 N VAL A 81 0.281 4.630 2.584 1.00 0.00 N ATOM 1200 CA VAL A 81 0.405 5.984 3.112 1.00 0.00 C ATOM 1201 C VAL A 81 0.458 7.010 1.986 1.00 0.00 C ATOM 1202 O VAL A 81 1.244 6.879 1.048 1.00 0.00 O ATOM 1203 CB VAL A 81 1.664 6.132 3.987 1.00 0.00 C ATOM 1204 CG1 VAL A 81 1.467 5.442 5.328 1.00 0.00 C ATOM 1205 CG2 VAL A 81 2.882 5.575 3.265 1.00 0.00 C ATOM 0 H VAL A 81 0.636 4.513 1.635 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.478 6.167 3.725 1.00 0.00 H new ATOM 0 HB VAL A 81 1.833 7.193 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.367 5.557 5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.621 5.892 5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.272 4.382 5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.763 5.688 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.724 4.519 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.033 6.119 2.333 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.383 8.033 2.085 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.432 9.085 1.077 1.00 0.00 C ATOM 1217 C LYS A 82 0.862 9.892 1.069 1.00 0.00 C ATOM 1218 O LYS A 82 1.224 10.512 2.069 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.622 10.012 1.334 1.00 0.00 C ATOM 1220 CG LYS A 82 -2.112 10.734 0.091 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.600 11.031 0.168 1.00 0.00 C ATOM 1222 CE LYS A 82 -4.074 11.819 -1.044 1.00 0.00 C ATOM 1223 NZ LYS A 82 -5.245 12.680 -0.721 1.00 0.00 N ATOM 0 H LYS A 82 -1.041 8.156 2.854 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.551 8.613 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.442 9.428 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.341 10.750 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.560 11.666 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.907 10.125 -0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.156 10.096 0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.813 11.595 1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.258 12.439 -1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.340 11.129 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.310 13.452 -1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.114 12.110 -0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.129 13.080 0.232 1.00 0.00 H new ATOM 1237 N ILE A 83 1.554 9.881 -0.066 1.00 0.00 N ATOM 1238 CA ILE A 83 2.806 10.615 -0.204 1.00 0.00 C ATOM 1239 C ILE A 83 2.610 12.097 0.094 1.00 0.00 C ATOM 1240 O ILE A 83 3.205 12.638 1.026 1.00 0.00 O ATOM 1241 CB ILE A 83 3.396 10.460 -1.618 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.251 9.015 -2.099 1.00 0.00 C ATOM 1243 CG2 ILE A 83 4.857 10.885 -1.632 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.231 8.640 -3.190 1.00 0.00 C ATOM 0 H ILE A 83 1.269 9.372 -0.903 1.00 0.00 H new ATOM 0 HA ILE A 83 3.502 10.191 0.520 1.00 0.00 H new ATOM 0 HB ILE A 83 2.843 11.107 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.388 8.343 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.236 8.863 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.260 10.770 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.935 11.929 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.424 10.262 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.071 7.602 -3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.079 9.288 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.250 8.760 -2.821 1.00 0.00 H new ATOM 1256 N SER A 84 1.771 12.750 -0.704 1.00 0.00 N ATOM 1257 CA SER A 84 1.498 14.171 -0.527 1.00 0.00 C ATOM 1258 C SER A 84 0.282 14.384 0.369 1.00 0.00 C ATOM 1259 O SER A 84 -0.857 14.368 -0.096 1.00 0.00 O ATOM 1260 CB SER A 84 1.268 14.840 -1.884 1.00 0.00 C ATOM 1261 OG SER A 84 2.497 15.103 -2.538 1.00 0.00 O ATOM 0 H SER A 84 1.269 12.317 -1.479 1.00 0.00 H new ATOM 0 HA SER A 84 2.365 14.625 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.650 14.197 -2.510 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.720 15.772 -1.745 1.00 0.00 H new ATOM 0 HG SER A 84 2.323 15.529 -3.403 1.00 0.00 H new ATOM 1267 N GLY A 85 0.533 14.582 1.660 1.00 0.00 N ATOM 1268 CA GLY A 85 -0.549 14.794 2.603 1.00 0.00 C ATOM 1269 C GLY A 85 -0.212 14.299 3.995 1.00 0.00 C ATOM 1270 O GLY A 85 -0.591 13.198 4.394 1.00 0.00 O ATOM 0 H GLY A 85 1.467 14.599 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.785 15.857 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.443 14.283 2.246 1.00 0.00 H new ATOM 1274 N PRO A 86 0.520 15.123 4.759 1.00 0.00 N ATOM 1275 CA PRO A 86 0.926 14.783 6.126 1.00 0.00 C ATOM 1276 C PRO A 86 -0.252 14.771 7.095 1.00 0.00 C ATOM 1277 O PRO A 86 -0.893 15.798 7.320 1.00 0.00 O ATOM 1278 CB PRO A 86 1.908 15.899 6.492 1.00 0.00 C ATOM 1279 CG PRO A 86 1.513 17.049 5.632 1.00 0.00 C ATOM 1280 CD PRO A 86 1.006 16.451 4.348 1.00 0.00 C ATOM 0 HA PRO A 86 1.354 13.782 6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.841 16.154 7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.938 15.598 6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.742 17.650 6.114 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.362 17.708 5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.209 17.053 3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.795 16.376 3.600 1.00 0.00 H new ATOM 1288 N SER A 87 -0.530 13.604 7.666 1.00 0.00 N ATOM 1289 CA SER A 87 -1.634 13.458 8.608 1.00 0.00 C ATOM 1290 C SER A 87 -1.362 14.243 9.888 1.00 0.00 C ATOM 1291 O SER A 87 -0.249 14.229 10.414 1.00 0.00 O ATOM 1292 CB SER A 87 -1.857 11.981 8.940 1.00 0.00 C ATOM 1293 OG SER A 87 -3.203 11.739 9.309 1.00 0.00 O ATOM 0 H SER A 87 -0.006 12.746 7.493 1.00 0.00 H new ATOM 0 HA SER A 87 -2.534 13.858 8.141 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.597 11.368 8.077 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.195 11.684 9.753 1.00 0.00 H new ATOM 0 HG SER A 87 -3.320 10.788 9.515 1.00 0.00 H new ATOM 1299 N SER A 88 -2.388 14.927 10.384 1.00 0.00 N ATOM 1300 CA SER A 88 -2.261 15.722 11.600 1.00 0.00 C ATOM 1301 C SER A 88 -3.411 15.434 12.560 1.00 0.00 C ATOM 1302 O SER A 88 -4.544 15.206 12.138 1.00 0.00 O ATOM 1303 CB SER A 88 -2.227 17.213 11.259 1.00 0.00 C ATOM 1304 OG SER A 88 -3.506 17.673 10.856 1.00 0.00 O ATOM 0 H SER A 88 -3.317 14.947 9.963 1.00 0.00 H new ATOM 0 HA SER A 88 -1.326 15.447 12.088 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.890 17.780 12.127 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.505 17.391 10.462 1.00 0.00 H new ATOM 0 HG SER A 88 -3.458 18.629 10.645 1.00 0.00 H new ATOM 1310 N GLY A 89 -3.110 15.446 13.855 1.00 0.00 N ATOM 1311 CA GLY A 89 -4.128 15.184 14.856 1.00 0.00 C ATOM 1312 C GLY A 89 -3.850 13.924 15.650 1.00 0.00 C ATOM 1313 O GLY A 89 -4.616 13.564 16.544 1.00 0.00 O ATOM 0 H GLY A 89 -2.179 15.632 14.229 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.190 16.033 15.537 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.099 15.095 14.368 1.00 0.00 H new TER 1317 GLY A 89