USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=12 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 79 GLN : amide:sc= 0.722 K(o=-1.7,f=-2.8) USER MOD Set 1.2: A 83 THR OG1 : rot -144:sc= -2.42! USER MOD Set 2.1: A 37 ASN : amide:sc= 0.682 K(o=1.7,f=-0.032) USER MOD Set 2.2: A 40 GLN : amide:sc= 0.993 K(o=1.7,f=-5.6!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 33:sc= 1.16 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.817 K(o=0.82,f=-6.7!) 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 57:sc= 1.3 USER MOD Single : A 44 HIS :FLIP no HD1:sc= 0.0489 F(o=-1.4,f=0.049) USER MOD Single : A 45 SER OG : rot 32:sc= 1.15 USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -1.36 (180deg=-1.88) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.7!) USER MOD Single : A 56 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 59 TYR OH : rot 100:sc= -0.144 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.965 K(o=0.97,f=-3.3!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -54:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -22.215 12.004 9.096 1.00 0.00 N ATOM 58 CA GLU A 5 -23.040 10.779 8.995 1.00 0.00 C ATOM 59 C GLU A 5 -22.978 10.047 7.632 1.00 0.00 C ATOM 60 O GLU A 5 -21.894 9.924 7.056 1.00 0.00 O ATOM 61 CB GLU A 5 -24.469 11.099 9.467 1.00 0.00 C ATOM 62 CG GLU A 5 -24.513 11.208 10.993 1.00 0.00 C ATOM 63 CD GLU A 5 -25.943 11.221 11.532 1.00 0.00 C ATOM 64 OE1 GLU A 5 -26.527 10.119 11.633 1.00 0.00 O ATOM 65 OE2 GLU A 5 -26.445 12.340 11.775 1.00 0.00 O ATOM 0 HA GLU A 5 -22.602 10.036 9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -24.806 12.034 9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -25.153 10.320 9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.970 10.371 11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -24.001 12.118 11.305 1.00 0.00 H new ATOM 72 N ALA A 6 -24.049 9.320 7.310 1.00 0.00 N ATOM 73 CA ALA A 6 -24.340 8.775 5.967 1.00 0.00 C ATOM 74 C ALA A 6 -25.866 8.607 5.779 1.00 0.00 C ATOM 75 O ALA A 6 -26.625 9.478 6.199 1.00 0.00 O ATOM 76 CB ALA A 6 -23.515 7.501 5.710 1.00 0.00 C ATOM 0 H ALA A 6 -24.767 9.082 7.994 1.00 0.00 H new ATOM 0 HA ALA A 6 -24.025 9.480 5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -23.743 7.114 4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -22.453 7.737 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -23.765 6.749 6.458 1.00 0.00 H new ATOM 82 N GLN A 7 -26.313 7.470 5.236 1.00 0.00 N ATOM 83 CA GLN A 7 -27.718 7.188 4.862 1.00 0.00 C ATOM 84 C GLN A 7 -27.827 5.705 4.449 1.00 0.00 C ATOM 85 O GLN A 7 -28.313 4.869 5.206 1.00 0.00 O ATOM 86 CB GLN A 7 -28.120 8.117 3.701 1.00 0.00 C ATOM 87 CG GLN A 7 -29.626 8.160 3.430 1.00 0.00 C ATOM 88 CD GLN A 7 -29.933 8.963 2.161 1.00 0.00 C ATOM 89 OE1 GLN A 7 -30.427 8.447 1.171 1.00 0.00 O ATOM 90 NE2 GLN A 7 -29.588 10.233 2.140 1.00 0.00 N ATOM 0 H GLN A 7 -25.690 6.688 5.034 1.00 0.00 H new ATOM 0 HA GLN A 7 -28.391 7.370 5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -27.772 9.126 3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -27.608 7.792 2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -30.009 7.145 3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -30.140 8.607 4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -29.175 10.663 2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -29.733 10.787 1.296 1.00 0.00 H new ATOM 99 N TYR A 8 -27.171 5.400 3.330 1.00 0.00 N ATOM 100 CA TYR A 8 -27.006 4.078 2.686 1.00 0.00 C ATOM 101 C TYR A 8 -26.167 3.023 3.446 1.00 0.00 C ATOM 102 O TYR A 8 -25.306 2.337 2.886 1.00 0.00 O ATOM 103 CB TYR A 8 -26.460 4.321 1.263 1.00 0.00 C ATOM 104 CG TYR A 8 -25.335 5.366 1.210 1.00 0.00 C ATOM 105 CD1 TYR A 8 -24.104 5.120 1.809 1.00 0.00 C ATOM 106 CD2 TYR A 8 -25.661 6.667 0.843 1.00 0.00 C ATOM 107 CE1 TYR A 8 -23.226 6.163 2.079 1.00 0.00 C ATOM 108 CE2 TYR A 8 -24.786 7.710 1.110 1.00 0.00 C ATOM 109 CZ TYR A 8 -23.573 7.465 1.739 1.00 0.00 C ATOM 110 OH TYR A 8 -22.859 8.520 2.210 1.00 0.00 O ATOM 0 H TYR A 8 -26.696 6.129 2.797 1.00 0.00 H new ATOM 0 HA TYR A 8 -27.992 3.614 2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -26.090 3.379 0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -27.277 4.645 0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -23.828 4.108 2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -26.600 6.866 0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -22.276 5.962 2.552 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -25.050 8.718 0.827 1.00 0.00 H new ATOM 0 HH TYR A 8 -21.919 8.261 2.307 1.00 0.00 H new ATOM 120 N VAL A 9 -26.454 2.855 4.733 1.00 0.00 N ATOM 121 CA VAL A 9 -25.747 1.879 5.588 1.00 0.00 C ATOM 122 C VAL A 9 -26.516 0.547 5.696 1.00 0.00 C ATOM 123 O VAL A 9 -27.392 0.360 6.537 1.00 0.00 O ATOM 124 CB VAL A 9 -25.328 2.526 6.932 1.00 0.00 C ATOM 125 CG1 VAL A 9 -26.492 3.070 7.772 1.00 0.00 C ATOM 126 CG2 VAL A 9 -24.433 1.591 7.756 1.00 0.00 C ATOM 0 H VAL A 9 -27.178 3.383 5.220 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.809 1.595 5.112 1.00 0.00 H new ATOM 0 HB VAL A 9 -24.747 3.404 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.104 3.504 8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.023 3.836 7.206 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -27.177 2.257 8.014 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.160 2.080 8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.972 0.669 7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.530 1.360 7.190 1.00 0.00 H new ATOM 136 N ALA A 10 -26.234 -0.322 4.726 1.00 0.00 N ATOM 137 CA ALA A 10 -26.787 -1.691 4.692 1.00 0.00 C ATOM 138 C ALA A 10 -25.676 -2.764 4.794 1.00 0.00 C ATOM 139 O ALA A 10 -25.159 -3.232 3.773 1.00 0.00 O ATOM 140 CB ALA A 10 -27.646 -1.852 3.431 1.00 0.00 C ATOM 0 H ALA A 10 -25.619 -0.106 3.941 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.421 -1.844 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -28.058 -2.860 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -28.460 -1.127 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -27.031 -1.683 2.547 1.00 0.00 H new ATOM 146 N PRO A 11 -25.238 -3.095 6.022 1.00 0.00 N ATOM 147 CA PRO A 11 -24.105 -4.013 6.253 1.00 0.00 C ATOM 148 C PRO A 11 -24.403 -5.463 5.848 1.00 0.00 C ATOM 149 O PRO A 11 -25.495 -5.980 6.075 1.00 0.00 O ATOM 150 CB PRO A 11 -23.794 -3.875 7.745 1.00 0.00 C ATOM 151 CG PRO A 11 -25.150 -3.533 8.363 1.00 0.00 C ATOM 152 CD PRO A 11 -25.810 -2.644 7.307 1.00 0.00 C ATOM 0 HA PRO A 11 -23.251 -3.751 5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -23.387 -4.798 8.157 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.059 -3.092 7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -25.739 -4.429 8.559 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -25.038 -3.011 9.314 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -26.894 -2.755 7.318 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -25.596 -1.591 7.487 1.00 0.00 H new ATOM 160 N THR A 12 -23.443 -6.029 5.124 1.00 0.00 N ATOM 161 CA THR A 12 -23.490 -7.425 4.633 1.00 0.00 C ATOM 162 C THR A 12 -23.136 -8.452 5.727 1.00 0.00 C ATOM 163 O THR A 12 -24.009 -9.130 6.261 1.00 0.00 O ATOM 164 CB THR A 12 -22.558 -7.606 3.418 1.00 0.00 C ATOM 165 OG1 THR A 12 -22.505 -6.406 2.639 1.00 0.00 O ATOM 166 CG2 THR A 12 -23.019 -8.774 2.540 1.00 0.00 C ATOM 0 H THR A 12 -22.594 -5.534 4.852 1.00 0.00 H new ATOM 0 HA THR A 12 -24.520 -7.615 4.332 1.00 0.00 H new ATOM 0 HB THR A 12 -21.560 -7.828 3.796 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.908 -6.539 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.344 -8.879 1.691 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.012 -9.694 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.029 -8.581 2.179 1.00 0.00 H new ATOM 174 N ASN A 13 -21.839 -8.581 6.008 1.00 0.00 N ATOM 175 CA ASN A 13 -21.282 -9.597 6.924 1.00 0.00 C ATOM 176 C ASN A 13 -20.607 -8.961 8.155 1.00 0.00 C ATOM 177 O ASN A 13 -20.509 -7.736 8.254 1.00 0.00 O ATOM 178 CB ASN A 13 -20.281 -10.459 6.128 1.00 0.00 C ATOM 179 CG ASN A 13 -18.964 -9.754 5.761 1.00 0.00 C ATOM 180 OD1 ASN A 13 -18.835 -8.538 5.737 1.00 0.00 O ATOM 181 ND2 ASN A 13 -17.906 -10.523 5.630 1.00 0.00 N ATOM 0 H ASN A 13 -21.127 -7.975 5.602 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.093 -10.215 7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.048 -11.350 6.711 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.764 -10.795 5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.983 -10.105 5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.008 -11.538 5.649 1.00 0.00 H new ATOM 188 N ALA A 14 -19.983 -9.823 8.962 1.00 0.00 N ATOM 189 CA ALA A 14 -19.147 -9.437 10.119 1.00 0.00 C ATOM 190 C ALA A 14 -18.148 -8.309 9.802 1.00 0.00 C ATOM 191 O ALA A 14 -18.361 -7.199 10.276 1.00 0.00 O ATOM 192 CB ALA A 14 -18.421 -10.673 10.662 1.00 0.00 C ATOM 0 H ALA A 14 -20.042 -10.833 8.833 1.00 0.00 H new ATOM 0 HA ALA A 14 -19.816 -9.035 10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.805 -10.388 11.515 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -19.154 -11.417 10.976 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -17.787 -11.095 9.882 1.00 0.00 H new ATOM 198 N VAL A 15 -17.281 -8.513 8.804 1.00 0.00 N ATOM 199 CA VAL A 15 -16.267 -7.517 8.377 1.00 0.00 C ATOM 200 C VAL A 15 -16.912 -6.162 8.011 1.00 0.00 C ATOM 201 O VAL A 15 -16.602 -5.156 8.646 1.00 0.00 O ATOM 202 CB VAL A 15 -15.383 -8.082 7.242 1.00 0.00 C ATOM 203 CG1 VAL A 15 -14.335 -7.076 6.744 1.00 0.00 C ATOM 204 CG2 VAL A 15 -14.637 -9.338 7.709 1.00 0.00 C ATOM 0 H VAL A 15 -17.255 -9.376 8.261 1.00 0.00 H new ATOM 0 HA VAL A 15 -15.611 -7.319 9.225 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.066 -8.313 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -13.745 -7.530 5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.837 -6.187 6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -13.678 -6.797 7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.021 -9.719 6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.002 -9.089 8.559 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -15.358 -10.100 8.006 1.00 0.00 H new ATOM 214 N GLU A 16 -17.924 -6.198 7.142 1.00 0.00 N ATOM 215 CA GLU A 16 -18.718 -5.008 6.755 1.00 0.00 C ATOM 216 C GLU A 16 -19.264 -4.241 7.975 1.00 0.00 C ATOM 217 O GLU A 16 -18.819 -3.127 8.242 1.00 0.00 O ATOM 218 CB GLU A 16 -19.879 -5.422 5.839 1.00 0.00 C ATOM 219 CG GLU A 16 -19.461 -5.666 4.384 1.00 0.00 C ATOM 220 CD GLU A 16 -19.373 -4.386 3.544 1.00 0.00 C ATOM 221 OE1 GLU A 16 -20.234 -3.497 3.738 1.00 0.00 O ATOM 222 OE2 GLU A 16 -18.441 -4.316 2.717 1.00 0.00 O ATOM 0 H GLU A 16 -18.226 -7.055 6.678 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.046 -4.336 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.335 -6.330 6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.643 -4.645 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.492 -6.165 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.175 -6.346 3.920 1.00 0.00 H new ATOM 229 N SER A 17 -20.021 -4.956 8.808 1.00 0.00 N ATOM 230 CA SER A 17 -20.696 -4.401 10.003 1.00 0.00 C ATOM 231 C SER A 17 -19.720 -3.905 11.084 1.00 0.00 C ATOM 232 O SER A 17 -19.660 -2.703 11.338 1.00 0.00 O ATOM 233 CB SER A 17 -21.665 -5.436 10.585 1.00 0.00 C ATOM 234 OG SER A 17 -22.426 -4.847 11.642 1.00 0.00 O ATOM 0 H SER A 17 -20.191 -5.953 8.678 1.00 0.00 H new ATOM 0 HA SER A 17 -21.249 -3.522 9.671 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.332 -5.802 9.805 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.110 -6.296 10.960 1.00 0.00 H new ATOM 0 HG SER A 17 -23.045 -5.512 12.009 1.00 0.00 H new ATOM 240 N LYS A 18 -18.799 -4.781 11.487 1.00 0.00 N ATOM 241 CA LYS A 18 -17.775 -4.534 12.525 1.00 0.00 C ATOM 242 C LYS A 18 -16.931 -3.289 12.193 1.00 0.00 C ATOM 243 O LYS A 18 -16.836 -2.358 12.992 1.00 0.00 O ATOM 244 CB LYS A 18 -16.865 -5.769 12.595 1.00 0.00 C ATOM 245 CG LYS A 18 -15.900 -5.804 13.784 1.00 0.00 C ATOM 246 CD LYS A 18 -16.605 -6.254 15.065 1.00 0.00 C ATOM 247 CE LYS A 18 -15.601 -6.400 16.208 1.00 0.00 C ATOM 248 NZ LYS A 18 -16.234 -7.009 17.386 1.00 0.00 N ATOM 0 H LYS A 18 -18.736 -5.719 11.090 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.267 -4.355 13.481 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -17.492 -6.660 12.630 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.284 -5.824 11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.075 -6.481 13.564 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.469 -4.814 13.933 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.372 -5.530 15.338 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.110 -7.204 14.894 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.761 -7.014 15.883 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.198 -5.422 16.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.533 -7.098 18.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.021 -6.409 17.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.597 -7.951 17.137 1.00 0.00 H new ATOM 262 N LEU A 19 -16.458 -3.241 10.949 1.00 0.00 N ATOM 263 CA LEU A 19 -15.651 -2.115 10.448 1.00 0.00 C ATOM 264 C LEU A 19 -16.455 -0.819 10.283 1.00 0.00 C ATOM 265 O LEU A 19 -16.049 0.191 10.846 1.00 0.00 O ATOM 266 CB LEU A 19 -14.908 -2.495 9.164 1.00 0.00 C ATOM 267 CG LEU A 19 -13.594 -3.288 9.310 1.00 0.00 C ATOM 268 CD1 LEU A 19 -12.485 -2.436 9.927 1.00 0.00 C ATOM 269 CD2 LEU A 19 -13.752 -4.611 10.067 1.00 0.00 C ATOM 0 H LEU A 19 -16.619 -3.974 10.258 1.00 0.00 H new ATOM 0 HA LEU A 19 -14.907 -1.902 11.216 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.587 -3.080 8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.688 -1.577 8.618 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.303 -3.552 8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.575 -3.030 10.013 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.295 -1.571 9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.793 -2.098 10.916 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.786 -5.112 10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.124 -4.413 11.072 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.459 -5.251 9.538 1.00 0.00 H new ATOM 281 N ALA A 20 -17.663 -0.892 9.717 1.00 0.00 N ATOM 282 CA ALA A 20 -18.578 0.272 9.642 1.00 0.00 C ATOM 283 C ALA A 20 -18.908 0.848 11.035 1.00 0.00 C ATOM 284 O ALA A 20 -18.851 2.061 11.240 1.00 0.00 O ATOM 285 CB ALA A 20 -19.867 -0.117 8.912 1.00 0.00 C ATOM 0 H ALA A 20 -18.039 -1.744 9.300 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.064 1.053 9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.532 0.745 8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.627 -0.448 7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.361 -0.925 9.451 1.00 0.00 H new ATOM 291 N GLU A 21 -19.093 -0.058 11.998 1.00 0.00 N ATOM 292 CA GLU A 21 -19.252 0.244 13.435 1.00 0.00 C ATOM 293 C GLU A 21 -18.020 0.978 13.998 1.00 0.00 C ATOM 294 O GLU A 21 -18.136 2.135 14.409 1.00 0.00 O ATOM 295 CB GLU A 21 -19.529 -1.068 14.181 1.00 0.00 C ATOM 296 CG GLU A 21 -19.833 -0.878 15.673 1.00 0.00 C ATOM 297 CD GLU A 21 -19.951 -2.211 16.423 1.00 0.00 C ATOM 298 OE1 GLU A 21 -19.109 -3.104 16.176 1.00 0.00 O ATOM 299 OE2 GLU A 21 -20.888 -2.307 17.245 1.00 0.00 O ATOM 0 H GLU A 21 -19.139 -1.057 11.799 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.095 0.920 13.576 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.372 -1.573 13.709 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.665 -1.724 14.076 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.045 -0.278 16.127 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.763 -0.320 15.783 1.00 0.00 H new ATOM 306 N ILE A 22 -16.845 0.353 13.918 1.00 0.00 N ATOM 307 CA ILE A 22 -15.601 0.981 14.416 1.00 0.00 C ATOM 308 C ILE A 22 -15.249 2.295 13.697 1.00 0.00 C ATOM 309 O ILE A 22 -14.961 3.282 14.368 1.00 0.00 O ATOM 310 CB ILE A 22 -14.403 0.016 14.550 1.00 0.00 C ATOM 311 CG1 ILE A 22 -13.950 -0.670 13.256 1.00 0.00 C ATOM 312 CG2 ILE A 22 -14.680 -1.024 15.641 1.00 0.00 C ATOM 313 CD1 ILE A 22 -13.020 0.206 12.415 1.00 0.00 C ATOM 0 H ILE A 22 -16.719 -0.577 13.519 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.836 1.261 15.443 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.563 0.653 14.828 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.440 -1.601 13.503 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.826 -0.934 12.664 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.828 -1.698 15.726 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.839 -0.519 16.594 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.571 -1.596 15.381 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.732 -0.332 11.512 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -13.536 1.126 12.141 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.128 0.449 12.993 1.00 0.00 H new ATOM 325 N TRP A 23 -15.508 2.365 12.390 1.00 0.00 N ATOM 326 CA TRP A 23 -15.366 3.605 11.600 1.00 0.00 C ATOM 327 C TRP A 23 -16.267 4.729 12.128 1.00 0.00 C ATOM 328 O TRP A 23 -15.742 5.707 12.655 1.00 0.00 O ATOM 329 CB TRP A 23 -15.612 3.368 10.102 1.00 0.00 C ATOM 330 CG TRP A 23 -14.534 2.534 9.400 1.00 0.00 C ATOM 331 CD1 TRP A 23 -14.779 1.549 8.536 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.161 2.543 9.624 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.644 0.922 8.229 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.638 1.493 8.884 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.317 3.339 10.392 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.278 1.211 8.938 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -10.957 3.061 10.446 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.441 1.986 9.729 1.00 0.00 C ATOM 0 H TRP A 23 -15.823 1.565 11.841 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.331 3.925 11.718 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.574 2.870 9.980 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.687 4.334 9.603 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -15.753 1.297 8.143 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.560 0.130 7.592 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.720 4.174 10.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -10.873 0.390 8.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.302 3.678 11.043 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.388 1.754 9.788 1.00 0.00 H new ATOM 349 N GLU A 24 -17.571 4.465 12.236 1.00 0.00 N ATOM 350 CA GLU A 24 -18.545 5.455 12.751 1.00 0.00 C ATOM 351 C GLU A 24 -18.293 5.935 14.190 1.00 0.00 C ATOM 352 O GLU A 24 -18.758 7.013 14.560 1.00 0.00 O ATOM 353 CB GLU A 24 -19.995 4.989 12.551 1.00 0.00 C ATOM 354 CG GLU A 24 -20.488 3.787 13.366 1.00 0.00 C ATOM 355 CD GLU A 24 -21.729 3.123 12.750 1.00 0.00 C ATOM 356 OE1 GLU A 24 -22.471 3.825 12.024 1.00 0.00 O ATOM 357 OE2 GLU A 24 -21.896 1.909 12.997 1.00 0.00 O ATOM 0 H GLU A 24 -17.988 3.571 11.974 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.381 6.340 12.137 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.649 5.832 12.772 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.126 4.752 11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.687 3.051 13.442 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.720 4.111 14.380 1.00 0.00 H new ATOM 364 N ARG A 25 -17.702 5.043 14.984 1.00 0.00 N ATOM 365 CA ARG A 25 -17.193 5.305 16.342 1.00 0.00 C ATOM 366 C ARG A 25 -15.917 6.176 16.322 1.00 0.00 C ATOM 367 O ARG A 25 -15.973 7.370 16.614 1.00 0.00 O ATOM 368 CB ARG A 25 -16.924 3.933 16.979 1.00 0.00 C ATOM 369 CG ARG A 25 -17.340 3.808 18.445 1.00 0.00 C ATOM 370 CD ARG A 25 -18.864 3.817 18.598 1.00 0.00 C ATOM 371 NE ARG A 25 -19.222 3.182 19.877 1.00 0.00 N ATOM 372 CZ ARG A 25 -20.444 3.083 20.406 1.00 0.00 C ATOM 373 NH1 ARG A 25 -21.467 3.805 19.968 1.00 0.00 N ATOM 374 NH2 ARG A 25 -20.618 2.387 21.519 1.00 0.00 N ATOM 0 H ARG A 25 -17.556 4.077 14.693 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.923 5.870 16.921 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.449 3.172 16.402 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.859 3.715 16.899 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -16.937 2.885 18.861 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -16.911 4.630 19.018 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -19.239 4.840 18.568 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -19.329 3.282 17.769 1.00 0.00 H new ATOM 0 HE ARG A 25 -18.457 2.775 20.415 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -21.335 4.464 19.201 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -22.386 3.701 20.398 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -19.822 1.932 21.965 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -21.548 2.306 21.930 1.00 0.00 H new ATOM 388 N VAL A 26 -14.833 5.611 15.786 1.00 0.00 N ATOM 389 CA VAL A 26 -13.460 6.172 15.789 1.00 0.00 C ATOM 390 C VAL A 26 -13.326 7.495 15.001 1.00 0.00 C ATOM 391 O VAL A 26 -12.609 8.391 15.438 1.00 0.00 O ATOM 392 CB VAL A 26 -12.454 5.083 15.340 1.00 0.00 C ATOM 393 CG1 VAL A 26 -11.002 5.572 15.313 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.494 3.868 16.275 1.00 0.00 C ATOM 0 H VAL A 26 -14.880 4.708 15.314 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.218 6.460 16.812 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.766 4.820 14.329 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.351 4.760 14.990 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.912 6.407 14.618 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.709 5.897 16.311 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.777 3.122 15.933 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.238 4.180 17.288 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.495 3.438 16.270 1.00 0.00 H new ATOM 404 N LEU A 27 -14.086 7.636 13.912 1.00 0.00 N ATOM 405 CA LEU A 27 -14.202 8.886 13.122 1.00 0.00 C ATOM 406 C LEU A 27 -14.658 10.108 13.951 1.00 0.00 C ATOM 407 O LEU A 27 -14.366 11.249 13.597 1.00 0.00 O ATOM 408 CB LEU A 27 -15.158 8.592 11.951 1.00 0.00 C ATOM 409 CG LEU A 27 -15.546 9.754 11.028 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.760 9.219 9.612 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.860 10.390 11.490 1.00 0.00 C ATOM 0 H LEU A 27 -14.653 6.875 13.539 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.215 9.172 12.758 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.704 7.815 11.336 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.075 8.175 12.366 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.748 10.496 11.052 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.036 10.040 8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.839 8.759 9.254 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.558 8.476 9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.120 11.213 10.824 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.653 9.642 11.470 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.744 10.768 12.506 1.00 0.00 H new ATOM 423 N GLY A 28 -15.361 9.822 15.054 1.00 0.00 N ATOM 424 CA GLY A 28 -16.008 10.829 15.914 1.00 0.00 C ATOM 425 C GLY A 28 -17.518 10.574 15.923 1.00 0.00 C ATOM 426 O GLY A 28 -18.247 11.159 15.122 1.00 0.00 O ATOM 0 H GLY A 28 -15.501 8.867 15.383 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.610 10.772 16.927 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.797 11.832 15.544 1.00 0.00 H new ATOM 430 N VAL A 29 -17.871 9.528 16.673 1.00 0.00 N ATOM 431 CA VAL A 29 -19.227 8.968 16.887 1.00 0.00 C ATOM 432 C VAL A 29 -20.395 9.743 16.239 1.00 0.00 C ATOM 433 O VAL A 29 -21.040 10.606 16.831 1.00 0.00 O ATOM 434 CB VAL A 29 -19.401 8.590 18.376 1.00 0.00 C ATOM 435 CG1 VAL A 29 -19.388 9.785 19.339 1.00 0.00 C ATOM 436 CG2 VAL A 29 -20.617 7.682 18.596 1.00 0.00 C ATOM 0 H VAL A 29 -17.168 9.002 17.192 1.00 0.00 H new ATOM 0 HA VAL A 29 -19.293 8.047 16.308 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.509 8.018 18.631 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.516 9.430 20.362 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.437 10.311 19.254 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -20.202 10.465 19.087 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.703 7.440 19.655 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -21.520 8.197 18.267 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -20.493 6.763 18.023 1.00 0.00 H new ATOM 446 N SER A 30 -20.569 9.425 14.961 1.00 0.00 N ATOM 447 CA SER A 30 -21.553 10.098 14.082 1.00 0.00 C ATOM 448 C SER A 30 -22.671 9.195 13.545 1.00 0.00 C ATOM 449 O SER A 30 -23.830 9.601 13.530 1.00 0.00 O ATOM 450 CB SER A 30 -20.865 10.750 12.876 1.00 0.00 C ATOM 451 OG SER A 30 -20.083 11.886 13.253 1.00 0.00 O ATOM 0 H SER A 30 -20.036 8.693 14.492 1.00 0.00 H new ATOM 0 HA SER A 30 -22.014 10.840 14.734 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.225 10.017 12.384 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.619 11.054 12.150 1.00 0.00 H new ATOM 0 HG SER A 30 -19.424 11.620 13.928 1.00 0.00 H new ATOM 457 N GLY A 31 -22.307 7.952 13.193 1.00 0.00 N ATOM 458 CA GLY A 31 -23.203 7.044 12.450 1.00 0.00 C ATOM 459 C GLY A 31 -23.036 7.255 10.937 1.00 0.00 C ATOM 460 O GLY A 31 -23.727 8.066 10.326 1.00 0.00 O ATOM 0 H GLY A 31 -21.396 7.549 13.411 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.978 6.009 12.707 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -24.238 7.227 12.738 1.00 0.00 H new ATOM 464 N ILE A 32 -22.130 6.473 10.358 1.00 0.00 N ATOM 465 CA ILE A 32 -21.754 6.635 8.934 1.00 0.00 C ATOM 466 C ILE A 32 -22.253 5.436 8.100 1.00 0.00 C ATOM 467 O ILE A 32 -23.353 4.947 8.354 1.00 0.00 O ATOM 468 CB ILE A 32 -20.266 7.007 8.727 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.298 5.939 9.261 1.00 0.00 C ATOM 470 CG2 ILE A 32 -20.000 8.409 9.299 1.00 0.00 C ATOM 471 CD1 ILE A 32 -17.828 6.141 8.878 1.00 0.00 C ATOM 0 H ILE A 32 -21.638 5.721 10.840 1.00 0.00 H new ATOM 0 HA ILE A 32 -22.275 7.510 8.545 1.00 0.00 H new ATOM 0 HB ILE A 32 -20.067 7.036 7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.374 5.914 10.348 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.621 4.964 8.897 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.952 8.669 9.152 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.629 9.136 8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.230 8.417 10.364 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.228 5.336 9.302 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.730 6.133 7.792 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.479 7.098 9.266 1.00 0.00 H new ATOM 483 N GLY A 33 -21.482 5.002 7.093 1.00 0.00 N ATOM 484 CA GLY A 33 -21.950 3.959 6.162 1.00 0.00 C ATOM 485 C GLY A 33 -20.883 2.924 5.810 1.00 0.00 C ATOM 486 O GLY A 33 -20.074 2.500 6.629 1.00 0.00 O ATOM 0 H GLY A 33 -20.543 5.350 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.806 3.449 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.299 4.434 5.245 1.00 0.00 H new ATOM 490 N ILE A 34 -21.068 2.423 4.597 1.00 0.00 N ATOM 491 CA ILE A 34 -20.097 1.558 3.900 1.00 0.00 C ATOM 492 C ILE A 34 -19.203 2.438 3.004 1.00 0.00 C ATOM 493 O ILE A 34 -17.996 2.523 3.216 1.00 0.00 O ATOM 494 CB ILE A 34 -20.911 0.474 3.167 1.00 0.00 C ATOM 495 CG1 ILE A 34 -21.564 -0.442 4.212 1.00 0.00 C ATOM 496 CG2 ILE A 34 -20.070 -0.333 2.168 1.00 0.00 C ATOM 497 CD1 ILE A 34 -22.772 -1.205 3.669 1.00 0.00 C ATOM 0 H ILE A 34 -21.910 2.603 4.050 1.00 0.00 H new ATOM 0 HA ILE A 34 -19.406 1.041 4.566 1.00 0.00 H new ATOM 0 HB ILE A 34 -21.678 0.968 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.824 -1.156 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -21.875 0.157 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -20.698 -1.080 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -19.657 0.338 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -19.256 -0.830 2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -23.188 -1.834 4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -23.529 -0.496 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -22.461 -1.829 2.831 1.00 0.00 H new ATOM 509 N LEU A 35 -19.853 3.112 2.053 1.00 0.00 N ATOM 510 CA LEU A 35 -19.274 4.198 1.231 1.00 0.00 C ATOM 511 C LEU A 35 -18.744 5.381 2.067 1.00 0.00 C ATOM 512 O LEU A 35 -17.842 6.107 1.649 1.00 0.00 O ATOM 513 CB LEU A 35 -20.380 4.674 0.274 1.00 0.00 C ATOM 514 CG LEU A 35 -19.981 5.806 -0.682 1.00 0.00 C ATOM 515 CD1 LEU A 35 -19.018 5.319 -1.770 1.00 0.00 C ATOM 516 CD2 LEU A 35 -21.233 6.438 -1.288 1.00 0.00 C ATOM 0 H LEU A 35 -20.827 2.918 1.820 1.00 0.00 H new ATOM 0 HA LEU A 35 -18.408 3.811 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -20.716 3.823 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -21.232 5.006 0.867 1.00 0.00 H new ATOM 0 HG LEU A 35 -19.447 6.565 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.760 6.150 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.112 4.928 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.496 4.532 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -20.944 7.241 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -21.792 5.682 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -21.858 6.843 -0.492 1.00 0.00 H new ATOM 528 N ASP A 36 -19.371 5.600 3.228 1.00 0.00 N ATOM 529 CA ASP A 36 -19.053 6.699 4.168 1.00 0.00 C ATOM 530 C ASP A 36 -19.207 8.055 3.447 1.00 0.00 C ATOM 531 O ASP A 36 -20.152 8.214 2.671 1.00 0.00 O ATOM 532 CB ASP A 36 -17.646 6.457 4.762 1.00 0.00 C ATOM 533 CG ASP A 36 -17.524 5.112 5.489 1.00 0.00 C ATOM 534 OD1 ASP A 36 -18.541 4.724 6.106 1.00 0.00 O ATOM 535 OD2 ASP A 36 -16.433 4.512 5.411 1.00 0.00 O ATOM 0 H ASP A 36 -20.134 5.007 3.555 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.749 6.723 5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.908 6.499 3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -17.408 7.262 5.457 1.00 0.00 H new ATOM 540 N ASN A 37 -18.400 9.041 3.840 1.00 0.00 N ATOM 541 CA ASN A 37 -18.154 10.253 3.033 1.00 0.00 C ATOM 542 C ASN A 37 -16.817 10.153 2.259 1.00 0.00 C ATOM 543 O ASN A 37 -16.338 11.147 1.720 1.00 0.00 O ATOM 544 CB ASN A 37 -18.136 11.441 4.007 1.00 0.00 C ATOM 545 CG ASN A 37 -18.111 12.812 3.321 1.00 0.00 C ATOM 546 OD1 ASN A 37 -18.892 13.122 2.436 1.00 0.00 O ATOM 547 ND2 ASN A 37 -17.233 13.684 3.768 1.00 0.00 N ATOM 0 H ASN A 37 -17.895 9.029 4.726 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.935 10.377 2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -19.015 11.384 4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.263 11.354 4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.203 14.625 3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.583 13.419 4.508 1.00 0.00 H new ATOM 554 N PHE A 38 -16.249 8.940 2.190 1.00 0.00 N ATOM 555 CA PHE A 38 -14.926 8.592 1.613 1.00 0.00 C ATOM 556 C PHE A 38 -13.681 9.484 1.840 1.00 0.00 C ATOM 557 O PHE A 38 -12.577 9.156 1.409 1.00 0.00 O ATOM 558 CB PHE A 38 -15.085 8.187 0.137 1.00 0.00 C ATOM 559 CG PHE A 38 -15.825 9.204 -0.732 1.00 0.00 C ATOM 560 CD1 PHE A 38 -15.137 10.271 -1.292 1.00 0.00 C ATOM 561 CD2 PHE A 38 -17.203 9.100 -0.883 1.00 0.00 C ATOM 562 CE1 PHE A 38 -15.833 11.250 -1.992 1.00 0.00 C ATOM 563 CE2 PHE A 38 -17.898 10.081 -1.576 1.00 0.00 C ATOM 564 CZ PHE A 38 -17.214 11.156 -2.130 1.00 0.00 C ATOM 0 H PHE A 38 -16.726 8.117 2.558 1.00 0.00 H new ATOM 0 HA PHE A 38 -14.637 7.761 2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.095 8.020 -0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -15.616 7.236 0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -14.065 10.341 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.732 8.258 -0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.302 12.083 -2.428 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.970 10.009 -1.685 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.755 11.920 -2.669 1.00 0.00 H new ATOM 574 N PHE A 39 -13.854 10.554 2.611 1.00 0.00 N ATOM 575 CA PHE A 39 -12.794 11.510 2.976 1.00 0.00 C ATOM 576 C PHE A 39 -12.158 11.203 4.347 1.00 0.00 C ATOM 577 O PHE A 39 -11.148 10.499 4.417 1.00 0.00 O ATOM 578 CB PHE A 39 -13.417 12.912 2.860 1.00 0.00 C ATOM 579 CG PHE A 39 -12.506 14.072 3.272 1.00 0.00 C ATOM 580 CD1 PHE A 39 -11.527 14.536 2.402 1.00 0.00 C ATOM 581 CD2 PHE A 39 -12.793 14.785 4.431 1.00 0.00 C ATOM 582 CE1 PHE A 39 -10.847 15.715 2.684 1.00 0.00 C ATOM 583 CE2 PHE A 39 -12.113 15.963 4.714 1.00 0.00 C ATOM 584 CZ PHE A 39 -11.140 16.430 3.838 1.00 0.00 C ATOM 0 H PHE A 39 -14.760 10.793 3.015 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.943 11.434 2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.730 13.067 1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -14.317 12.943 3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.294 13.980 1.506 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.547 14.422 5.113 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.089 16.076 2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.340 16.515 5.614 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.613 17.347 4.054 1.00 0.00 H new ATOM 594 N GLN A 40 -12.838 11.600 5.426 1.00 0.00 N ATOM 595 CA GLN A 40 -12.352 11.512 6.820 1.00 0.00 C ATOM 596 C GLN A 40 -12.331 10.114 7.483 1.00 0.00 C ATOM 597 O GLN A 40 -12.554 9.940 8.679 1.00 0.00 O ATOM 598 CB GLN A 40 -13.038 12.593 7.676 1.00 0.00 C ATOM 599 CG GLN A 40 -14.521 12.393 8.022 1.00 0.00 C ATOM 600 CD GLN A 40 -15.550 12.463 6.886 1.00 0.00 C ATOM 601 OE1 GLN A 40 -15.308 12.829 5.743 1.00 0.00 O ATOM 602 NE2 GLN A 40 -16.738 12.005 7.198 1.00 0.00 N ATOM 0 H GLN A 40 -13.772 12.005 5.359 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.282 11.712 6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.484 12.682 8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.940 13.546 7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.622 11.420 8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.793 13.144 8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.933 11.702 8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.467 11.952 6.487 1.00 0.00 H new ATOM 611 N ILE A 41 -12.029 9.125 6.649 1.00 0.00 N ATOM 612 CA ILE A 41 -11.714 7.738 7.056 1.00 0.00 C ATOM 613 C ILE A 41 -10.243 7.382 6.767 1.00 0.00 C ATOM 614 O ILE A 41 -9.607 6.695 7.567 1.00 0.00 O ATOM 615 CB ILE A 41 -12.667 6.687 6.451 1.00 0.00 C ATOM 616 CG1 ILE A 41 -12.831 6.826 4.927 1.00 0.00 C ATOM 617 CG2 ILE A 41 -14.002 6.716 7.209 1.00 0.00 C ATOM 618 CD1 ILE A 41 -13.399 5.565 4.266 1.00 0.00 C ATOM 0 H ILE A 41 -11.992 9.258 5.638 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.870 7.706 8.134 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.220 5.701 6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.489 7.669 4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.863 7.057 4.483 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.678 5.974 6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.828 6.488 8.261 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.449 7.706 7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.491 5.727 3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.730 4.725 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.381 5.346 4.685 1.00 0.00 H new ATOM 630 N GLY A 42 -9.711 7.928 5.659 1.00 0.00 N ATOM 631 CA GLY A 42 -8.278 7.845 5.309 1.00 0.00 C ATOM 632 C GLY A 42 -7.373 8.488 6.373 1.00 0.00 C ATOM 633 O GLY A 42 -6.363 7.912 6.774 1.00 0.00 O ATOM 0 H GLY A 42 -10.266 8.443 4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.998 6.799 5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.112 8.337 4.351 1.00 0.00 H new ATOM 637 N GLY A 43 -7.686 9.759 6.663 1.00 0.00 N ATOM 638 CA GLY A 43 -7.074 10.534 7.763 1.00 0.00 C ATOM 639 C GLY A 43 -5.545 10.681 7.695 1.00 0.00 C ATOM 640 O GLY A 43 -4.798 9.867 8.241 1.00 0.00 O ATOM 0 H GLY A 43 -8.380 10.289 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.518 11.530 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.335 10.059 8.709 1.00 0.00 H new ATOM 644 N HIS A 44 -5.134 11.827 7.158 1.00 0.00 N ATOM 645 CA HIS A 44 -3.721 12.247 7.023 1.00 0.00 C ATOM 646 C HIS A 44 -3.096 12.690 8.367 1.00 0.00 C ATOM 647 O HIS A 44 -2.742 13.849 8.593 1.00 0.00 O ATOM 648 CB HIS A 44 -3.609 13.320 5.922 1.00 0.00 C ATOM 649 CG HIS A 44 -4.323 14.651 6.208 1.00 0.00 C ATOM 650 ND1 HIS A 44 -5.617 14.831 6.469 1.00 0.00 N flip ATOM 651 CD2 HIS A 44 -3.741 15.848 6.232 1.00 0.00 C flip ATOM 652 CE1 HIS A 44 -5.831 16.125 6.666 1.00 0.00 C flip ATOM 653 NE2 HIS A 44 -4.669 16.756 6.518 1.00 0.00 N flip ATOM 0 H HIS A 44 -5.787 12.518 6.790 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.130 11.383 6.719 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.553 13.526 5.748 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.009 12.907 4.996 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.695 16.047 6.050 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.779 16.584 6.904 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.517 17.761 6.608 1.00 0.00 H new ATOM 662 N SER A 45 -3.029 11.714 9.268 1.00 0.00 N ATOM 663 CA SER A 45 -2.584 11.808 10.680 1.00 0.00 C ATOM 664 C SER A 45 -2.477 10.391 11.286 1.00 0.00 C ATOM 665 O SER A 45 -2.350 9.420 10.538 1.00 0.00 O ATOM 666 CB SER A 45 -3.566 12.684 11.480 1.00 0.00 C ATOM 667 OG SER A 45 -3.333 14.065 11.201 1.00 0.00 O ATOM 0 H SER A 45 -3.301 10.761 9.026 1.00 0.00 H new ATOM 0 HA SER A 45 -1.600 12.275 10.725 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.592 12.421 11.223 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.447 12.496 12.547 1.00 0.00 H new ATOM 0 HG SER A 45 -3.018 14.164 10.278 1.00 0.00 H new ATOM 673 N LEU A 46 -2.635 10.260 12.608 1.00 0.00 N ATOM 674 CA LEU A 46 -2.588 8.970 13.340 1.00 0.00 C ATOM 675 C LEU A 46 -3.498 7.845 12.799 1.00 0.00 C ATOM 676 O LEU A 46 -3.223 6.668 13.028 1.00 0.00 O ATOM 677 CB LEU A 46 -2.832 9.154 14.846 1.00 0.00 C ATOM 678 CG LEU A 46 -4.254 9.573 15.250 1.00 0.00 C ATOM 679 CD1 LEU A 46 -4.528 9.098 16.678 1.00 0.00 C ATOM 680 CD2 LEU A 46 -4.435 11.092 15.192 1.00 0.00 C ATOM 0 H LEU A 46 -2.803 11.059 13.220 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.568 8.629 13.161 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.593 8.217 15.350 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.134 9.904 15.218 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.952 9.118 14.547 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.536 9.392 16.972 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.438 8.013 16.724 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.805 9.551 17.357 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.453 11.349 15.484 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.731 11.569 15.874 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.250 11.442 14.176 1.00 0.00 H new ATOM 692 N LYS A 47 -4.549 8.224 12.066 1.00 0.00 N ATOM 693 CA LYS A 47 -5.452 7.285 11.367 1.00 0.00 C ATOM 694 C LYS A 47 -4.720 6.192 10.581 1.00 0.00 C ATOM 695 O LYS A 47 -4.873 5.030 10.941 1.00 0.00 O ATOM 696 CB LYS A 47 -6.405 8.033 10.431 1.00 0.00 C ATOM 697 CG LYS A 47 -7.581 8.680 11.169 1.00 0.00 C ATOM 698 CD LYS A 47 -8.639 7.645 11.569 1.00 0.00 C ATOM 699 CE LYS A 47 -8.832 7.563 13.085 1.00 0.00 C ATOM 700 NZ LYS A 47 -7.714 6.892 13.769 1.00 0.00 N ATOM 0 H LYS A 47 -4.806 9.202 11.935 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.016 6.788 12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.850 8.804 9.896 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.789 7.340 9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.215 9.189 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.037 9.439 10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.588 7.900 11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.347 6.666 11.189 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.946 8.570 13.487 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.757 7.028 13.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.012 6.607 14.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.432 6.049 13.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.907 7.545 13.838 1.00 0.00 H new ATOM 714 N ALA A 48 -3.726 6.575 9.776 1.00 0.00 N ATOM 715 CA ALA A 48 -2.883 5.618 9.023 1.00 0.00 C ATOM 716 C ALA A 48 -2.257 4.516 9.904 1.00 0.00 C ATOM 717 O ALA A 48 -2.451 3.334 9.626 1.00 0.00 O ATOM 718 CB ALA A 48 -1.795 6.382 8.266 1.00 0.00 C ATOM 0 H ALA A 48 -3.476 7.552 9.622 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.539 5.101 8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.174 5.678 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.259 7.082 7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.176 6.931 8.975 1.00 0.00 H new ATOM 724 N MET A 49 -1.749 4.916 11.073 1.00 0.00 N ATOM 725 CA MET A 49 -1.176 4.010 12.095 1.00 0.00 C ATOM 726 C MET A 49 -2.234 3.090 12.730 1.00 0.00 C ATOM 727 O MET A 49 -2.109 1.864 12.693 1.00 0.00 O ATOM 728 CB MET A 49 -0.480 4.819 13.198 1.00 0.00 C ATOM 729 CG MET A 49 0.729 5.621 12.703 1.00 0.00 C ATOM 730 SD MET A 49 2.098 4.577 12.084 1.00 0.00 S ATOM 731 CE MET A 49 3.302 5.841 11.732 1.00 0.00 C ATOM 0 H MET A 49 -1.720 5.897 11.349 1.00 0.00 H new ATOM 0 HA MET A 49 -0.452 3.379 11.580 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.201 5.504 13.644 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.156 4.139 13.986 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.407 6.293 11.907 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.098 6.245 13.517 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.210 5.380 11.342 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.899 6.532 10.992 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.536 6.386 12.647 1.00 0.00 H new ATOM 741 N ALA A 50 -3.326 3.694 13.204 1.00 0.00 N ATOM 742 CA ALA A 50 -4.478 2.975 13.789 1.00 0.00 C ATOM 743 C ALA A 50 -5.131 1.993 12.797 1.00 0.00 C ATOM 744 O ALA A 50 -5.441 0.853 13.139 1.00 0.00 O ATOM 745 CB ALA A 50 -5.509 3.994 14.285 1.00 0.00 C ATOM 0 H ALA A 50 -3.444 4.707 13.196 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.108 2.377 14.622 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.361 3.469 14.717 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.054 4.633 15.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.847 4.606 13.449 1.00 0.00 H new ATOM 751 N VAL A 51 -5.277 2.438 11.549 1.00 0.00 N ATOM 752 CA VAL A 51 -5.760 1.615 10.423 1.00 0.00 C ATOM 753 C VAL A 51 -4.778 0.459 10.156 1.00 0.00 C ATOM 754 O VAL A 51 -5.210 -0.687 10.198 1.00 0.00 O ATOM 755 CB VAL A 51 -6.024 2.477 9.169 1.00 0.00 C ATOM 756 CG1 VAL A 51 -6.479 1.635 7.971 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.117 3.520 9.439 1.00 0.00 C ATOM 0 H VAL A 51 -5.061 3.398 11.280 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.720 1.174 10.692 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.076 2.961 8.935 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.652 2.286 7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.707 0.907 7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.402 1.113 8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.283 4.114 8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.042 3.014 9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.803 4.174 10.253 1.00 0.00 H new ATOM 767 N ALA A 52 -3.475 0.743 10.095 1.00 0.00 N ATOM 768 CA ALA A 52 -2.423 -0.287 9.940 1.00 0.00 C ATOM 769 C ALA A 52 -2.514 -1.399 11.000 1.00 0.00 C ATOM 770 O ALA A 52 -2.602 -2.573 10.640 1.00 0.00 O ATOM 771 CB ALA A 52 -1.035 0.359 9.996 1.00 0.00 C ATOM 0 H ALA A 52 -3.110 1.694 10.151 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.583 -0.750 8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.271 -0.410 9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.940 1.088 9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.905 0.859 10.956 1.00 0.00 H new ATOM 777 N ALA A 53 -2.708 -1.001 12.260 1.00 0.00 N ATOM 778 CA ALA A 53 -2.943 -1.934 13.382 1.00 0.00 C ATOM 779 C ALA A 53 -4.166 -2.844 13.153 1.00 0.00 C ATOM 780 O ALA A 53 -4.031 -4.066 13.129 1.00 0.00 O ATOM 781 CB ALA A 53 -3.095 -1.138 14.683 1.00 0.00 C ATOM 0 H ALA A 53 -2.708 -0.020 12.539 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.079 -2.594 13.451 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.268 -1.825 15.512 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.185 -0.567 14.869 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.940 -0.455 14.595 1.00 0.00 H new ATOM 787 N GLN A 54 -5.292 -2.234 12.784 1.00 0.00 N ATOM 788 CA GLN A 54 -6.548 -2.943 12.445 1.00 0.00 C ATOM 789 C GLN A 54 -6.433 -3.833 11.190 1.00 0.00 C ATOM 790 O GLN A 54 -6.962 -4.941 11.155 1.00 0.00 O ATOM 791 CB GLN A 54 -7.683 -1.929 12.260 1.00 0.00 C ATOM 792 CG GLN A 54 -7.965 -1.157 13.553 1.00 0.00 C ATOM 793 CD GLN A 54 -8.975 -0.032 13.335 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.148 -0.135 13.654 1.00 0.00 O ATOM 795 NE2 GLN A 54 -8.500 1.112 12.895 1.00 0.00 N ATOM 0 H GLN A 54 -5.369 -1.220 12.708 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.763 -3.610 13.280 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.420 -1.229 11.467 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.587 -2.448 11.941 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.344 -1.843 14.310 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.034 -0.740 13.937 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.518 1.189 12.631 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.114 1.923 12.818 1.00 0.00 H new ATOM 804 N VAL A 55 -5.717 -3.342 10.181 1.00 0.00 N ATOM 805 CA VAL A 55 -5.428 -4.057 8.920 1.00 0.00 C ATOM 806 C VAL A 55 -4.457 -5.248 9.112 1.00 0.00 C ATOM 807 O VAL A 55 -4.460 -6.182 8.313 1.00 0.00 O ATOM 808 CB VAL A 55 -5.011 -3.045 7.828 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.635 -3.698 6.495 1.00 0.00 C ATOM 810 CG2 VAL A 55 -6.172 -2.095 7.515 1.00 0.00 C ATOM 0 H VAL A 55 -5.306 -2.409 10.210 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.341 -4.538 8.568 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.141 -2.532 8.238 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.354 -2.926 5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.795 -4.376 6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.488 -4.257 6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.866 -1.387 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.027 -2.670 7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.450 -1.551 8.418 1.00 0.00 H new ATOM 820 N HIS A 56 -3.561 -5.149 10.090 1.00 0.00 N ATOM 821 CA HIS A 56 -2.734 -6.292 10.531 1.00 0.00 C ATOM 822 C HIS A 56 -3.523 -7.295 11.398 1.00 0.00 C ATOM 823 O HIS A 56 -3.323 -8.500 11.301 1.00 0.00 O ATOM 824 CB HIS A 56 -1.508 -5.748 11.279 1.00 0.00 C ATOM 825 CG HIS A 56 -0.357 -6.744 11.484 1.00 0.00 C ATOM 826 ND1 HIS A 56 0.696 -6.519 12.267 1.00 0.00 N ATOM 827 CD2 HIS A 56 -0.127 -7.880 10.826 1.00 0.00 C ATOM 828 CE1 HIS A 56 1.578 -7.495 12.074 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.069 -8.338 11.183 1.00 0.00 N ATOM 0 H HIS A 56 -3.381 -4.286 10.602 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.415 -6.851 9.652 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.125 -4.886 10.733 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.831 -5.389 12.256 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.798 -8.349 10.122 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.540 -7.586 12.557 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.516 -9.186 10.835 1.00 0.00 H new ATOM 838 N ARG A 57 -4.367 -6.762 12.277 1.00 0.00 N ATOM 839 CA ARG A 57 -5.257 -7.538 13.164 1.00 0.00 C ATOM 840 C ARG A 57 -6.485 -8.113 12.418 1.00 0.00 C ATOM 841 O ARG A 57 -6.341 -9.069 11.660 1.00 0.00 O ATOM 842 CB ARG A 57 -5.552 -6.608 14.352 1.00 0.00 C ATOM 843 CG ARG A 57 -6.432 -7.172 15.473 1.00 0.00 C ATOM 844 CD ARG A 57 -6.414 -6.250 16.700 1.00 0.00 C ATOM 845 NE ARG A 57 -6.838 -4.874 16.370 1.00 0.00 N ATOM 846 CZ ARG A 57 -7.794 -4.161 16.971 1.00 0.00 C ATOM 847 NH1 ARG A 57 -8.392 -4.571 18.082 1.00 0.00 N ATOM 848 NH2 ARG A 57 -8.077 -2.943 16.535 1.00 0.00 N ATOM 0 H ARG A 57 -4.460 -5.754 12.403 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.796 -8.452 13.537 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.601 -6.303 14.788 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.029 -5.707 13.967 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.455 -7.287 15.115 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.079 -8.164 15.754 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.072 -6.657 17.468 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.409 -6.228 17.121 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.348 -4.419 15.600 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.125 -5.459 18.507 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.118 -3.998 18.512 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.566 -2.553 15.743 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.806 -2.395 16.991 1.00 0.00 H new ATOM 862 N GLU A 58 -7.584 -7.360 12.398 1.00 0.00 N ATOM 863 CA GLU A 58 -8.889 -7.743 11.813 1.00 0.00 C ATOM 864 C GLU A 58 -8.837 -8.086 10.306 1.00 0.00 C ATOM 865 O GLU A 58 -9.732 -8.759 9.798 1.00 0.00 O ATOM 866 CB GLU A 58 -9.863 -6.583 12.075 1.00 0.00 C ATOM 867 CG GLU A 58 -11.335 -6.900 11.783 1.00 0.00 C ATOM 868 CD GLU A 58 -11.956 -7.867 12.794 1.00 0.00 C ATOM 869 OE1 GLU A 58 -11.884 -9.089 12.546 1.00 0.00 O ATOM 870 OE2 GLU A 58 -12.542 -7.353 13.771 1.00 0.00 O ATOM 0 H GLU A 58 -7.600 -6.424 12.804 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.217 -8.666 12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.771 -6.279 13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.562 -5.730 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.906 -5.972 11.780 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.416 -7.328 10.784 1.00 0.00 H new ATOM 877 N TYR A 59 -7.910 -7.455 9.586 1.00 0.00 N ATOM 878 CA TYR A 59 -7.695 -7.705 8.144 1.00 0.00 C ATOM 879 C TYR A 59 -6.545 -8.667 7.798 1.00 0.00 C ATOM 880 O TYR A 59 -6.513 -9.188 6.684 1.00 0.00 O ATOM 881 CB TYR A 59 -7.460 -6.379 7.409 1.00 0.00 C ATOM 882 CG TYR A 59 -8.673 -5.479 7.131 1.00 0.00 C ATOM 883 CD1 TYR A 59 -9.867 -5.580 7.837 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.571 -4.551 6.100 1.00 0.00 C ATOM 885 CE1 TYR A 59 -10.937 -4.763 7.515 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.635 -3.714 5.791 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.815 -3.811 6.514 1.00 0.00 C ATOM 888 OH TYR A 59 -11.795 -2.885 6.365 1.00 0.00 O ATOM 0 H TYR A 59 -7.282 -6.754 9.978 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.609 -8.199 7.816 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.741 -5.800 7.989 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.988 -6.607 6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.960 -6.298 8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.654 -4.481 5.534 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.872 -4.867 8.046 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.544 -2.992 4.993 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.517 -2.044 6.786 1.00 0.00 H new ATOM 898 N GLN A 60 -5.628 -8.884 8.747 1.00 0.00 N ATOM 899 CA GLN A 60 -4.332 -9.592 8.608 1.00 0.00 C ATOM 900 C GLN A 60 -3.326 -9.058 7.563 1.00 0.00 C ATOM 901 O GLN A 60 -2.155 -8.860 7.883 1.00 0.00 O ATOM 902 CB GLN A 60 -4.534 -11.100 8.410 1.00 0.00 C ATOM 903 CG GLN A 60 -3.300 -11.864 8.901 1.00 0.00 C ATOM 904 CD GLN A 60 -3.054 -13.179 8.158 1.00 0.00 C ATOM 905 OE1 GLN A 60 -3.939 -13.908 7.734 1.00 0.00 O ATOM 906 NE2 GLN A 60 -1.791 -13.508 8.006 1.00 0.00 N ATOM 0 H GLN A 60 -5.773 -8.551 9.700 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.855 -9.377 9.564 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.418 -11.431 8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.710 -11.316 7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.422 -11.227 8.793 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.413 -12.074 9.965 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.058 -12.895 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.544 -14.376 7.532 1.00 0.00 H new ATOM 915 N VAL A 61 -3.814 -8.750 6.362 1.00 0.00 N ATOM 916 CA VAL A 61 -3.029 -8.400 5.150 1.00 0.00 C ATOM 917 C VAL A 61 -2.106 -7.158 5.295 1.00 0.00 C ATOM 918 O VAL A 61 -1.304 -6.855 4.413 1.00 0.00 O ATOM 919 CB VAL A 61 -3.943 -8.327 3.896 1.00 0.00 C ATOM 920 CG1 VAL A 61 -3.138 -8.443 2.595 1.00 0.00 C ATOM 921 CG2 VAL A 61 -5.020 -9.421 3.838 1.00 0.00 C ATOM 0 H VAL A 61 -4.818 -8.733 6.185 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.326 -9.221 5.013 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.424 -7.353 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.815 -8.387 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.417 -7.628 2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.610 -9.396 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.614 -9.299 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.543 -10.401 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.668 -9.340 4.711 1.00 0.00 H new ATOM 931 N GLU A 62 -2.281 -6.383 6.367 1.00 0.00 N ATOM 932 CA GLU A 62 -1.356 -5.323 6.843 1.00 0.00 C ATOM 933 C GLU A 62 -0.806 -4.273 5.846 1.00 0.00 C ATOM 934 O GLU A 62 0.343 -3.841 5.938 1.00 0.00 O ATOM 935 CB GLU A 62 -0.239 -5.930 7.717 1.00 0.00 C ATOM 936 CG GLU A 62 0.712 -6.908 7.008 1.00 0.00 C ATOM 937 CD GLU A 62 1.862 -7.402 7.895 1.00 0.00 C ATOM 938 OE1 GLU A 62 2.426 -6.565 8.639 1.00 0.00 O ATOM 939 OE2 GLU A 62 2.251 -8.574 7.699 1.00 0.00 O ATOM 0 H GLU A 62 -3.105 -6.472 6.962 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.026 -4.692 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.353 -5.115 8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.702 -6.448 8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.140 -7.767 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.128 -6.421 6.126 1.00 0.00 H new ATOM 946 N LEU A 63 -1.693 -3.742 5.006 1.00 0.00 N ATOM 947 CA LEU A 63 -1.330 -2.692 4.026 1.00 0.00 C ATOM 948 C LEU A 63 -1.976 -1.309 4.287 1.00 0.00 C ATOM 949 O LEU A 63 -3.049 -1.000 3.756 1.00 0.00 O ATOM 950 CB LEU A 63 -1.502 -3.184 2.573 1.00 0.00 C ATOM 951 CG LEU A 63 -2.922 -3.500 2.072 1.00 0.00 C ATOM 952 CD1 LEU A 63 -2.901 -3.663 0.553 1.00 0.00 C ATOM 953 CD2 LEU A 63 -3.496 -4.784 2.675 1.00 0.00 C ATOM 0 H LEU A 63 -2.675 -4.016 4.976 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.267 -2.507 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.078 -2.427 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.900 -4.084 2.454 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.554 -2.667 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.907 -3.887 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.551 -2.739 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.231 -4.479 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.499 -4.953 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.857 -5.627 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.541 -4.688 3.760 1.00 0.00 H new ATOM 965 N PRO A 64 -1.313 -0.452 5.088 1.00 0.00 N ATOM 966 CA PRO A 64 -1.793 0.912 5.396 1.00 0.00 C ATOM 967 C PRO A 64 -1.800 1.813 4.154 1.00 0.00 C ATOM 968 O PRO A 64 -1.045 1.592 3.209 1.00 0.00 O ATOM 969 CB PRO A 64 -0.833 1.443 6.461 1.00 0.00 C ATOM 970 CG PRO A 64 0.472 0.707 6.165 1.00 0.00 C ATOM 971 CD PRO A 64 0.002 -0.680 5.721 1.00 0.00 C ATOM 0 HA PRO A 64 -2.825 0.899 5.746 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.710 2.524 6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.194 1.231 7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.047 1.206 5.385 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.111 0.652 7.046 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.705 -1.130 5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.081 -1.359 6.569 1.00 0.00 H new ATOM 979 N LEU A 65 -2.698 2.799 4.188 1.00 0.00 N ATOM 980 CA LEU A 65 -2.977 3.782 3.112 1.00 0.00 C ATOM 981 C LEU A 65 -3.559 3.178 1.818 1.00 0.00 C ATOM 982 O LEU A 65 -4.549 3.697 1.306 1.00 0.00 O ATOM 983 CB LEU A 65 -1.755 4.682 2.852 1.00 0.00 C ATOM 984 CG LEU A 65 -2.030 5.874 1.925 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.213 7.081 2.389 1.00 0.00 C ATOM 986 CD2 LEU A 65 -1.652 5.551 0.477 1.00 0.00 C ATOM 0 H LEU A 65 -3.288 2.951 5.006 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.784 4.409 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.386 5.057 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.959 4.077 2.419 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.097 6.094 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.408 7.927 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.496 7.342 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.152 6.835 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.859 6.415 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.591 5.308 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.237 4.700 0.129 1.00 0.00 H new ATOM 998 N LYS A 66 -3.006 2.055 1.363 1.00 0.00 N ATOM 999 CA LYS A 66 -3.488 1.299 0.186 1.00 0.00 C ATOM 1000 C LYS A 66 -4.967 0.898 0.328 1.00 0.00 C ATOM 1001 O LYS A 66 -5.833 1.562 -0.243 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.615 0.066 -0.070 1.00 0.00 C ATOM 1003 CG LYS A 66 -1.198 0.402 -0.536 1.00 0.00 C ATOM 1004 CD LYS A 66 -0.470 -0.890 -0.909 1.00 0.00 C ATOM 1005 CE LYS A 66 0.930 -0.617 -1.463 1.00 0.00 C ATOM 1006 NZ LYS A 66 1.558 -1.870 -1.905 1.00 0.00 N ATOM 0 H LYS A 66 -2.192 1.628 1.805 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.410 1.962 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.557 -0.523 0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.096 -0.559 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.234 1.073 -1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.657 0.923 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.394 -1.530 -0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.054 -1.435 -1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.868 0.081 -2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.545 -0.144 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.508 -1.669 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.634 -2.523 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.978 -2.305 -2.650 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.250 -0.032 1.245 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.630 -0.471 1.553 1.00 0.00 C ATOM 1022 C VAL A 67 -7.324 0.507 2.537 1.00 0.00 C ATOM 1023 O VAL A 67 -7.805 0.168 3.616 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.585 -1.968 1.937 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.127 -2.268 3.368 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -7.886 -2.685 1.577 1.00 0.00 C ATOM 0 H VAL A 67 -4.536 -0.506 1.798 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.290 -0.418 0.687 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.788 -2.384 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.132 -3.345 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.118 -1.883 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.805 -1.790 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.814 -3.734 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.717 -2.220 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.056 -2.612 0.503 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.240 1.777 2.149 1.00 0.00 N ATOM 1037 CA LEU A 68 -7.725 2.943 2.914 1.00 0.00 C ATOM 1038 C LEU A 68 -8.069 4.108 1.964 1.00 0.00 C ATOM 1039 O LEU A 68 -9.219 4.235 1.555 1.00 0.00 O ATOM 1040 CB LEU A 68 -6.663 3.302 3.970 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.036 4.460 4.900 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.251 4.123 5.772 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -5.824 4.828 5.756 1.00 0.00 C ATOM 0 H LEU A 68 -6.817 2.042 1.259 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.653 2.711 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.464 2.419 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.734 3.553 3.458 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.321 5.318 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.482 4.971 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.108 3.908 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.027 3.251 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.084 5.652 6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.522 3.965 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.000 5.129 5.109 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.051 4.823 1.487 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.201 5.941 0.534 1.00 0.00 C ATOM 1057 C PHE A 69 -7.589 5.504 -0.887 1.00 0.00 C ATOM 1058 O PHE A 69 -8.503 6.074 -1.475 1.00 0.00 O ATOM 1059 CB PHE A 69 -5.924 6.786 0.496 1.00 0.00 C ATOM 1060 CG PHE A 69 -5.888 7.801 1.641 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -6.464 9.051 1.450 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -5.217 7.518 2.825 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -6.358 10.025 2.434 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -5.112 8.494 3.810 1.00 0.00 C ATOM 1065 CZ PHE A 69 -5.676 9.749 3.613 1.00 0.00 C ATOM 0 H PHE A 69 -6.082 4.646 1.751 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.034 6.538 0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.053 6.134 0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.861 7.310 -0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.995 9.265 0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.779 6.543 2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.805 10.996 2.283 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.591 8.276 4.731 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.584 10.509 4.375 1.00 0.00 H new ATOM 1075 N ALA A 70 -6.903 4.483 -1.407 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.235 3.877 -2.715 1.00 0.00 C ATOM 1077 C ALA A 70 -8.615 3.191 -2.734 1.00 0.00 C ATOM 1078 O ALA A 70 -9.257 3.095 -3.778 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.141 2.885 -3.127 1.00 0.00 C ATOM 0 H ALA A 70 -6.105 4.050 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.286 4.693 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.394 2.444 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.187 3.407 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.063 2.098 -2.377 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.009 2.655 -1.578 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.337 2.043 -1.364 1.00 0.00 C ATOM 1087 C GLN A 71 -11.084 2.679 -0.168 1.00 0.00 C ATOM 1088 O GLN A 71 -11.250 2.034 0.872 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.152 0.530 -1.194 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.814 -0.159 -2.517 1.00 0.00 C ATOM 1091 CD GLN A 71 -9.470 -1.627 -2.286 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -10.305 -2.468 -1.988 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -8.202 -1.946 -2.396 1.00 0.00 N ATOM 0 H GLN A 71 -8.414 2.629 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.967 2.232 -2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.356 0.341 -0.473 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.064 0.097 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.660 -0.081 -3.200 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.973 0.347 -2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.517 -1.233 -2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.902 -2.907 -2.232 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.634 3.893 -0.334 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.288 4.627 0.768 1.00 0.00 C ATOM 1104 C PRO A 72 -13.757 4.214 0.992 1.00 0.00 C ATOM 1105 O PRO A 72 -14.667 5.034 1.108 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.089 6.090 0.368 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.219 6.058 -1.154 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.550 4.739 -1.543 1.00 0.00 C ATOM 0 HA PRO A 72 -11.858 4.410 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.839 6.737 0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.114 6.464 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.262 6.087 -1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.723 6.911 -1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.059 4.273 -2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.514 4.896 -1.843 1.00 0.00 H new ATOM 1116 N THR A 73 -13.936 2.907 1.175 1.00 0.00 N ATOM 1117 CA THR A 73 -15.250 2.240 1.341 1.00 0.00 C ATOM 1118 C THR A 73 -15.076 0.787 1.794 1.00 0.00 C ATOM 1119 O THR A 73 -14.400 -0.009 1.137 1.00 0.00 O ATOM 1120 CB THR A 73 -16.137 2.308 0.074 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.324 1.518 0.240 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.425 1.919 -1.228 1.00 0.00 C ATOM 0 H THR A 73 -13.154 2.253 1.215 1.00 0.00 H new ATOM 0 HA THR A 73 -15.773 2.797 2.118 1.00 0.00 H new ATOM 0 HB THR A 73 -16.398 3.361 -0.032 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.871 1.576 -0.571 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.123 1.996 -2.062 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.583 2.590 -1.397 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.062 0.894 -1.152 1.00 0.00 H new ATOM 1130 N ILE A 74 -15.834 0.437 2.831 1.00 0.00 N ATOM 1131 CA ILE A 74 -15.805 -0.926 3.402 1.00 0.00 C ATOM 1132 C ILE A 74 -16.267 -2.026 2.422 1.00 0.00 C ATOM 1133 O ILE A 74 -15.760 -3.141 2.489 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.406 -0.949 4.827 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -15.530 -1.763 5.795 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -17.888 -1.329 4.924 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -15.374 -3.273 5.552 1.00 0.00 C ATOM 0 H ILE A 74 -16.480 1.073 3.300 1.00 0.00 H new ATOM 0 HA ILE A 74 -14.764 -1.213 3.549 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.394 0.095 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -14.533 -1.322 5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -15.933 -1.629 6.799 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.200 -1.312 5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.485 -0.616 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.034 -2.330 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.728 -3.700 6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.353 -3.751 5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.931 -3.440 4.570 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.012 -1.639 1.385 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.405 -2.540 0.278 1.00 0.00 C ATOM 1151 C LYS A 75 -16.163 -3.129 -0.424 1.00 0.00 C ATOM 1152 O LYS A 75 -15.976 -4.345 -0.456 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.310 -1.744 -0.673 1.00 0.00 C ATOM 1154 CG LYS A 75 -18.844 -2.513 -1.890 1.00 0.00 C ATOM 1155 CD LYS A 75 -18.019 -2.277 -3.163 1.00 0.00 C ATOM 1156 CE LYS A 75 -18.151 -0.838 -3.679 1.00 0.00 C ATOM 1157 NZ LYS A 75 -17.382 -0.641 -4.917 1.00 0.00 N ATOM 0 H LYS A 75 -17.366 -0.688 1.281 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.959 -3.400 0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.160 -1.367 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.755 -0.876 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.853 -3.579 -1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.877 -2.218 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.970 -2.494 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.344 -2.971 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.201 -0.610 -3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.801 -0.142 -2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.491 0.341 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.377 -0.836 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.734 -1.289 -5.651 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.263 -2.238 -0.835 1.00 0.00 N ATOM 1172 CA ALA A 76 -13.977 -2.604 -1.458 1.00 0.00 C ATOM 1173 C ALA A 76 -13.000 -3.262 -0.463 1.00 0.00 C ATOM 1174 O ALA A 76 -12.500 -4.354 -0.730 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.373 -1.353 -2.095 1.00 0.00 C ATOM 0 H ALA A 76 -15.400 -1.231 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.162 -3.357 -2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.421 -1.606 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.055 -0.964 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.212 -0.596 -1.328 1.00 0.00 H new ATOM 1181 N LEU A 77 -12.970 -2.728 0.762 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.159 -3.271 1.876 1.00 0.00 C ATOM 1183 C LEU A 77 -12.503 -4.739 2.198 1.00 0.00 C ATOM 1184 O LEU A 77 -11.630 -5.605 2.172 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.334 -2.418 3.145 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.078 -0.912 2.987 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.304 -0.191 4.318 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.667 -0.610 2.494 1.00 0.00 C ATOM 0 H LEU A 77 -13.509 -1.901 1.019 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.121 -3.234 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.350 -2.556 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.661 -2.802 3.912 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.783 -0.552 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.119 0.875 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.333 -0.344 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.622 -0.590 5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.538 0.468 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.941 -1.001 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.512 -1.081 1.523 1.00 0.00 H new ATOM 1200 N ALA A 78 -13.800 -5.022 2.329 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.333 -6.387 2.520 1.00 0.00 C ATOM 1202 C ALA A 78 -14.009 -7.311 1.337 1.00 0.00 C ATOM 1203 O ALA A 78 -13.492 -8.399 1.558 1.00 0.00 O ATOM 1204 CB ALA A 78 -15.845 -6.353 2.754 1.00 0.00 C ATOM 0 H ALA A 78 -14.526 -4.306 2.306 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.841 -6.794 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.215 -7.369 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.062 -5.764 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.337 -5.902 1.892 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.119 -6.791 0.116 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.720 -7.521 -1.105 1.00 0.00 C ATOM 1212 C GLN A 79 -12.226 -7.889 -1.180 1.00 0.00 C ATOM 1213 O GLN A 79 -11.861 -8.910 -1.757 1.00 0.00 O ATOM 1214 CB GLN A 79 -14.213 -6.757 -2.337 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.440 -7.431 -2.970 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.585 -7.796 -2.011 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -16.996 -8.943 -1.906 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -17.107 -6.849 -1.261 1.00 0.00 N ATOM 0 H GLN A 79 -14.485 -5.856 -0.064 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.208 -8.495 -1.070 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.465 -5.735 -2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.411 -6.696 -3.073 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.836 -6.768 -3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.110 -8.341 -3.472 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.770 -5.890 -1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.849 -7.074 -0.598 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.386 -7.041 -0.591 1.00 0.00 N ATOM 1228 CA TYR A 80 -9.955 -7.334 -0.366 1.00 0.00 C ATOM 1229 C TYR A 80 -9.628 -8.325 0.765 1.00 0.00 C ATOM 1230 O TYR A 80 -8.696 -9.117 0.638 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.179 -6.028 -0.164 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.616 -5.454 -1.471 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -9.382 -5.352 -2.628 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.277 -5.085 -1.502 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -8.809 -4.902 -3.810 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -6.701 -4.630 -2.679 1.00 0.00 C ATOM 1237 CZ TYR A 80 -7.470 -4.531 -3.832 1.00 0.00 C ATOM 1238 OH TYR A 80 -6.963 -3.882 -4.910 1.00 0.00 O ATOM 0 H TYR A 80 -11.672 -6.123 -0.251 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.639 -7.850 -1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.835 -5.290 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.359 -6.204 0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.427 -5.624 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.681 -5.153 -0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.403 -4.840 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.657 -4.353 -2.699 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.012 -3.695 -4.762 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.395 -8.305 1.853 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.068 -9.143 3.034 1.00 0.00 C ATOM 1250 C VAL A 81 -10.976 -10.339 3.376 1.00 0.00 C ATOM 1251 O VAL A 81 -10.507 -11.324 3.939 1.00 0.00 O ATOM 1252 CB VAL A 81 -9.769 -8.302 4.291 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -8.513 -7.455 4.065 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -10.949 -7.435 4.742 1.00 0.00 C ATOM 0 H VAL A 81 -11.234 -7.734 1.954 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.162 -9.633 2.678 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.593 -9.002 5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.308 -6.863 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.665 -8.109 3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.671 -6.789 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.667 -6.871 5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.218 -6.743 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.802 -8.073 4.972 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.245 -10.265 2.990 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.257 -11.314 3.240 1.00 0.00 C ATOM 1266 C ALA A 82 -13.814 -11.964 1.952 1.00 0.00 C ATOM 1267 O ALA A 82 -14.911 -12.524 1.937 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.379 -10.679 4.072 1.00 0.00 C ATOM 0 H ALA A 82 -12.618 -9.462 2.483 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.782 -12.135 3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.147 -11.425 4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.970 -10.311 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.818 -9.849 3.518 1.00 0.00 H new ATOM 1274 N THR A 83 -13.029 -11.862 0.880 1.00 0.00 N ATOM 1275 CA THR A 83 -13.344 -12.474 -0.431 1.00 0.00 C ATOM 1276 C THR A 83 -12.202 -13.405 -0.880 1.00 0.00 C ATOM 1277 O THR A 83 -12.457 -14.563 -1.202 1.00 0.00 O ATOM 1278 CB THR A 83 -13.642 -11.387 -1.480 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.591 -10.463 -0.939 1.00 0.00 O ATOM 1280 CG2 THR A 83 -14.187 -11.960 -2.792 1.00 0.00 C ATOM 0 H THR A 83 -12.147 -11.350 0.887 1.00 0.00 H new ATOM 0 HA THR A 83 -14.243 -13.082 -0.328 1.00 0.00 H new ATOM 0 HB THR A 83 -12.699 -10.891 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 83 -15.194 -10.160 -1.650 1.00 0.00 H new ATOM 0 HG21 THR A 83 -14.378 -11.147 -3.492 1.00 0.00 H new ATOM 0 HG22 THR A 83 -13.456 -12.645 -3.222 1.00 0.00 H new ATOM 0 HG23 THR A 83 -15.115 -12.497 -2.597 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.994 -12.853 -1.025 1.00 0.00 N ATOM 1289 CA ARG A 84 -9.788 -13.672 -1.288 1.00 0.00 C ATOM 1290 C ARG A 84 -8.934 -13.982 -0.039 1.00 0.00 C ATOM 1291 O ARG A 84 -8.192 -14.962 -0.028 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.930 -13.096 -2.430 1.00 0.00 C ATOM 1293 CG ARG A 84 -8.146 -11.807 -2.139 1.00 0.00 C ATOM 1294 CD ARG A 84 -9.008 -10.543 -2.045 1.00 0.00 C ATOM 1295 NE ARG A 84 -9.539 -10.101 -3.349 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.838 -9.587 -4.363 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.612 -9.105 -4.199 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -9.446 -9.326 -5.509 1.00 0.00 N ATOM 0 H ARG A 84 -10.817 -11.850 -0.967 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.181 -14.636 -1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.218 -13.862 -2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.584 -12.909 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.603 -11.931 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.401 -11.666 -2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.840 -10.729 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.415 -9.738 -1.610 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.544 -10.198 -3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.177 -9.120 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.105 -8.720 -4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.442 -9.517 -5.613 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.918 -8.933 -6.289 1.00 0.00 H new ATOM 1312 N SER A 85 -8.934 -13.061 0.926 1.00 0.00 N ATOM 1313 CA SER A 85 -8.300 -13.208 2.262 1.00 0.00 C ATOM 1314 C SER A 85 -6.778 -13.456 2.258 1.00 0.00 C ATOM 1315 O SER A 85 -6.064 -12.428 2.259 1.00 0.00 O ATOM 1316 CB SER A 85 -9.015 -14.263 3.120 1.00 0.00 C ATOM 1317 OG SER A 85 -10.378 -13.879 3.325 1.00 0.00 O ATOM 1318 OXT SER A 85 -6.344 -14.630 2.255 1.00 99.99 O ATOM 0 H SER A 85 -9.388 -12.156 0.807 1.00 0.00 H new ATOM 0 HA SER A 85 -8.425 -12.224 2.713 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.972 -15.235 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.509 -14.368 4.080 1.00 0.00 H new ATOM 0 HG SER A 85 -10.410 -12.971 3.692 1.00 0.00 H new