USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 570 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 26 TYR OH : rot 17:sc= 0.397 USER MOD Set 1.2: A 49 SER OG : rot 91:sc= 1.56 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 SER OG : rot -125:sc= 1.18 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 1.09 USER MOD Single : A 3 LYS NZ :NH3+ -176:sc= 1.14 (180deg=1.12) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 17:sc= 0.429 USER MOD Single : A 18 ASN : amide:sc= -0.784! C(o=-0.78!,f=-11!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.683 K(o=0.68,f=-6.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 102:sc= 1.31 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.15) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00228 X(o=-0.0023,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0711 X(o=-0.071,f=-0.071) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0.934 (180deg=0.934) USER MOD Single : A 64 TYR OH : rot -24:sc= 0.105 USER MOD Single : A 66 GLN : amide:sc= -0.0682 X(o=-0.068,f=-0.24) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 -3.963 -13.521 -6.752 1.00 0.00 N ATOM 12 CA VAL A 2 -3.278 -12.233 -6.760 1.00 0.00 C ATOM 13 C VAL A 2 -2.525 -12.018 -8.066 1.00 0.00 C ATOM 14 O VAL A 2 -1.408 -12.506 -8.239 1.00 0.00 O ATOM 15 CB VAL A 2 -2.290 -12.146 -5.581 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.582 -10.799 -5.579 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.027 -12.371 -4.271 1.00 0.00 C ATOM 0 HA VAL A 2 -4.035 -11.455 -6.661 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.535 -12.924 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.888 -10.754 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.032 -10.676 -6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.318 -10.001 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.322 -12.308 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.797 -11.609 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.491 -13.357 -4.279 1.00 0.00 H new ATOM 27 N LYS A 3 -3.144 -11.284 -8.986 1.00 0.00 N ATOM 28 CA LYS A 3 -2.580 -11.086 -10.315 1.00 0.00 C ATOM 29 C LYS A 3 -1.465 -10.047 -10.293 1.00 0.00 C ATOM 30 O LYS A 3 -0.444 -10.204 -10.962 1.00 0.00 O ATOM 31 CB LYS A 3 -3.670 -10.667 -11.302 1.00 0.00 C ATOM 32 CG LYS A 3 -4.666 -11.768 -11.644 1.00 0.00 C ATOM 33 CD LYS A 3 -5.723 -11.272 -12.621 1.00 0.00 C ATOM 34 CE LYS A 3 -6.724 -12.366 -12.955 1.00 0.00 C ATOM 35 NZ LYS A 3 -7.824 -11.868 -13.825 1.00 0.00 N ATOM 0 H LYS A 3 -4.038 -10.816 -8.834 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.154 -12.035 -10.640 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.213 -9.819 -10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.197 -10.323 -12.222 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.138 -12.618 -12.076 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.147 -12.122 -10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.245 -10.417 -12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.242 -10.925 -13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.210 -13.187 -13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.144 -12.767 -12.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.520 -12.627 -13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.288 -11.057 -13.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.434 -11.572 -14.742 1.00 0.00 H new ATOM 49 N GLU A 4 -1.668 -8.987 -9.518 1.00 0.00 N ATOM 50 CA GLU A 4 -0.682 -7.919 -9.408 1.00 0.00 C ATOM 51 C GLU A 4 -0.248 -7.716 -7.963 1.00 0.00 C ATOM 52 O GLU A 4 -1.059 -7.807 -7.043 1.00 0.00 O ATOM 53 CB GLU A 4 -1.246 -6.612 -9.970 1.00 0.00 C ATOM 54 CG GLU A 4 -1.539 -6.644 -11.463 1.00 0.00 C ATOM 55 CD GLU A 4 -2.043 -5.328 -11.989 1.00 0.00 C ATOM 56 OE1 GLU A 4 -2.220 -4.426 -11.206 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.252 -5.227 -13.175 1.00 0.00 O ATOM 0 H GLU A 4 -2.507 -8.845 -8.956 1.00 0.00 H new ATOM 0 HA GLU A 4 0.192 -8.212 -9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.165 -6.368 -9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.538 -5.808 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.632 -6.921 -12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.279 -7.418 -11.666 1.00 0.00 H new ATOM 64 N THR A 5 1.038 -7.440 -7.770 1.00 0.00 N ATOM 65 CA THR A 5 1.585 -7.244 -6.433 1.00 0.00 C ATOM 66 C THR A 5 2.211 -5.862 -6.291 1.00 0.00 C ATOM 67 O THR A 5 2.904 -5.582 -5.313 1.00 0.00 O ATOM 68 CB THR A 5 2.634 -8.323 -6.101 1.00 0.00 C ATOM 69 OG1 THR A 5 3.695 -8.274 -7.063 1.00 0.00 O ATOM 70 CG2 THR A 5 2.000 -9.705 -6.119 1.00 0.00 C ATOM 0 H THR A 5 1.720 -7.347 -8.523 1.00 0.00 H new ATOM 0 HA THR A 5 0.757 -7.328 -5.729 1.00 0.00 H new ATOM 0 HB THR A 5 3.030 -8.129 -5.104 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.362 -8.959 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.755 -10.455 -5.882 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.201 -9.748 -5.379 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.589 -9.904 -7.109 1.00 0.00 H new ATOM 78 N LYS A 6 1.964 -5.002 -7.272 1.00 0.00 N ATOM 79 CA LYS A 6 2.590 -3.687 -7.317 1.00 0.00 C ATOM 80 C LYS A 6 2.310 -2.900 -6.043 1.00 0.00 C ATOM 81 O LYS A 6 3.218 -2.331 -5.439 1.00 0.00 O ATOM 82 CB LYS A 6 2.106 -2.902 -8.537 1.00 0.00 C ATOM 83 CG LYS A 6 2.725 -1.518 -8.681 1.00 0.00 C ATOM 84 CD LYS A 6 2.265 -0.838 -9.961 1.00 0.00 C ATOM 85 CE LYS A 6 2.864 0.555 -10.096 1.00 0.00 C ATOM 86 NZ LYS A 6 2.468 1.210 -11.372 1.00 0.00 N ATOM 0 H LYS A 6 1.332 -5.193 -8.050 1.00 0.00 H new ATOM 0 HA LYS A 6 3.667 -3.835 -7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.324 -3.479 -9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.022 -2.798 -8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.453 -0.904 -7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.812 -1.601 -8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.552 -1.444 -10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.177 -0.770 -9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.542 1.171 -9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.951 0.489 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.897 2.156 -11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.798 0.636 -12.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.432 1.297 -11.411 1.00 0.00 H new ATOM 100 N LEU A 7 1.044 -2.872 -5.638 1.00 0.00 N ATOM 101 CA LEU A 7 0.628 -2.096 -4.476 1.00 0.00 C ATOM 102 C LEU A 7 1.127 -2.730 -3.184 1.00 0.00 C ATOM 103 O LEU A 7 1.423 -2.032 -2.212 1.00 0.00 O ATOM 104 CB LEU A 7 -0.900 -1.977 -4.437 1.00 0.00 C ATOM 105 CG LEU A 7 -1.539 -1.226 -5.612 1.00 0.00 C ATOM 106 CD1 LEU A 7 -3.046 -1.142 -5.405 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.925 0.162 -5.721 1.00 0.00 C ATOM 0 H LEU A 7 0.288 -3.379 -6.098 1.00 0.00 H new ATOM 0 HA LEU A 7 1.066 -1.102 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.323 -2.981 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.183 -1.475 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.349 -1.761 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.499 -0.608 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.462 -2.148 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.257 -0.610 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.379 0.696 -6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.104 0.713 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.148 0.073 -5.888 1.00 0.00 H new ATOM 119 N TYR A 8 1.218 -4.055 -3.176 1.00 0.00 N ATOM 120 CA TYR A 8 1.756 -4.781 -2.032 1.00 0.00 C ATOM 121 C TYR A 8 3.250 -4.532 -1.875 1.00 0.00 C ATOM 122 O TYR A 8 3.766 -4.480 -0.757 1.00 0.00 O ATOM 123 CB TYR A 8 1.478 -6.280 -2.170 1.00 0.00 C ATOM 124 CG TYR A 8 0.016 -6.644 -2.052 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.713 -6.964 -3.188 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.597 -6.657 -0.808 1.00 0.00 C ATOM 127 CE1 TYR A 8 -2.050 -7.296 -3.080 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.934 -6.989 -0.699 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.659 -7.308 -1.830 1.00 0.00 C ATOM 130 OH TYR A 8 -3.990 -7.640 -1.723 1.00 0.00 O ATOM 0 H TYR A 8 0.925 -4.650 -3.951 1.00 0.00 H new ATOM 0 HA TYR A 8 1.256 -4.412 -1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.851 -6.621 -3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.039 -6.816 -1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.236 -6.954 -4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.029 -6.407 0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.620 -7.545 -3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.411 -6.999 0.270 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.281 -8.093 -2.542 1.00 0.00 H new ATOM 140 N ASP A 9 3.941 -4.378 -2.998 1.00 0.00 N ATOM 141 CA ASP A 9 5.368 -4.081 -2.986 1.00 0.00 C ATOM 142 C ASP A 9 5.631 -2.662 -2.498 1.00 0.00 C ATOM 143 O ASP A 9 6.621 -2.405 -1.812 1.00 0.00 O ATOM 144 CB ASP A 9 5.967 -4.266 -4.383 1.00 0.00 C ATOM 145 CG ASP A 9 6.062 -5.728 -4.798 1.00 0.00 C ATOM 146 OD1 ASP A 9 5.989 -6.575 -3.940 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.206 -5.983 -5.968 1.00 0.00 O ATOM 0 H ASP A 9 3.535 -4.454 -3.931 1.00 0.00 H new ATOM 0 HA ASP A 9 5.845 -4.778 -2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.358 -3.726 -5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.962 -3.821 -4.408 1.00 0.00 H new ATOM 152 N LEU A 10 4.741 -1.744 -2.856 1.00 0.00 N ATOM 153 CA LEU A 10 4.825 -0.369 -2.379 1.00 0.00 C ATOM 154 C LEU A 10 4.712 -0.305 -0.862 1.00 0.00 C ATOM 155 O LEU A 10 5.428 0.455 -0.208 1.00 0.00 O ATOM 156 CB LEU A 10 3.719 0.481 -3.017 1.00 0.00 C ATOM 157 CG LEU A 10 3.897 0.795 -4.508 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.648 1.487 -5.037 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.128 1.670 -4.699 1.00 0.00 C ATOM 0 H LEU A 10 3.952 -1.927 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 10 5.798 0.027 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.768 -0.035 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.650 1.422 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 10 4.040 -0.129 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.776 1.709 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.786 0.833 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.486 2.415 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.255 1.893 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.003 2.600 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.009 1.144 -4.331 1.00 0.00 H new ATOM 171 N LEU A 11 3.807 -1.104 -0.305 1.00 0.00 N ATOM 172 CA LEU A 11 3.623 -1.165 1.139 1.00 0.00 C ATOM 173 C LEU A 11 4.688 -2.035 1.794 1.00 0.00 C ATOM 174 O LEU A 11 5.040 -1.834 2.956 1.00 0.00 O ATOM 175 CB LEU A 11 2.230 -1.712 1.473 1.00 0.00 C ATOM 176 CG LEU A 11 1.048 -0.852 1.009 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.256 -1.495 1.457 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.189 0.554 1.577 1.00 0.00 C ATOM 0 H LEU A 11 3.189 -1.719 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 11 3.718 -0.152 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.132 -2.702 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.160 -1.841 2.553 1.00 0.00 H new ATOM 0 HG LEU A 11 1.041 -0.784 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.096 -0.883 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.339 -2.491 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.269 -1.572 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.349 1.166 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.199 0.507 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.121 0.997 1.225 1.00 0.00 H new ATOM 190 N GLY A 12 5.198 -3.004 1.041 1.00 0.00 N ATOM 191 CA GLY A 12 6.236 -3.898 1.541 1.00 0.00 C ATOM 192 C GLY A 12 5.640 -5.004 2.403 1.00 0.00 C ATOM 193 O GLY A 12 6.185 -5.348 3.453 1.00 0.00 O ATOM 0 H GLY A 12 4.909 -3.190 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.776 -4.338 0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.960 -3.329 2.124 1.00 0.00 H new ATOM 197 N VAL A 13 4.520 -5.559 1.954 1.00 0.00 N ATOM 198 CA VAL A 13 3.801 -6.566 2.724 1.00 0.00 C ATOM 199 C VAL A 13 3.178 -7.616 1.814 1.00 0.00 C ATOM 200 O VAL A 13 2.635 -7.291 0.757 1.00 0.00 O ATOM 201 CB VAL A 13 2.699 -5.906 3.572 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.702 -5.183 2.678 1.00 0.00 C ATOM 203 CG2 VAL A 13 2.000 -6.956 4.421 1.00 0.00 C ATOM 0 H VAL A 13 4.090 -5.328 1.059 1.00 0.00 H new ATOM 0 HA VAL A 13 4.521 -7.056 3.379 1.00 0.00 H new ATOM 0 HB VAL A 13 3.155 -5.170 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.929 -4.722 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.219 -4.412 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.243 -5.896 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.221 -6.482 5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.552 -7.709 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.725 -7.431 5.082 1.00 0.00 H new ATOM 213 N SER A 14 3.258 -8.876 2.229 1.00 0.00 N ATOM 214 CA SER A 14 2.722 -9.978 1.440 1.00 0.00 C ATOM 215 C SER A 14 1.208 -9.871 1.301 1.00 0.00 C ATOM 216 O SER A 14 0.519 -9.448 2.229 1.00 0.00 O ATOM 217 CB SER A 14 3.088 -11.304 2.077 1.00 0.00 C ATOM 218 OG SER A 14 2.462 -12.369 1.416 1.00 0.00 O ATOM 0 H SER A 14 3.690 -9.159 3.109 1.00 0.00 H new ATOM 0 HA SER A 14 3.162 -9.923 0.444 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.169 -11.439 2.048 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.795 -11.300 3.127 1.00 0.00 H new ATOM 0 HG SER A 14 1.951 -12.900 2.062 1.00 0.00 H new ATOM 224 N PRO A 15 0.697 -10.257 0.137 1.00 0.00 N ATOM 225 CA PRO A 15 -0.739 -10.235 -0.115 1.00 0.00 C ATOM 226 C PRO A 15 -1.451 -11.335 0.662 1.00 0.00 C ATOM 227 O PRO A 15 -2.679 -11.364 0.732 1.00 0.00 O ATOM 228 CB PRO A 15 -0.828 -10.464 -1.627 1.00 0.00 C ATOM 229 CG PRO A 15 0.390 -11.260 -1.948 1.00 0.00 C ATOM 230 CD PRO A 15 1.456 -10.694 -1.048 1.00 0.00 C ATOM 0 HA PRO A 15 -1.219 -9.309 0.203 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.737 -11.002 -1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.843 -9.521 -2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.232 -12.322 -1.758 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.664 -11.161 -2.999 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.206 -11.442 -0.792 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.981 -9.863 -1.519 1.00 0.00 H new ATOM 238 N SER A 16 -0.671 -12.241 1.245 1.00 0.00 N ATOM 239 CA SER A 16 -1.216 -13.266 2.126 1.00 0.00 C ATOM 240 C SER A 16 -1.538 -12.697 3.502 1.00 0.00 C ATOM 241 O SER A 16 -2.201 -13.345 4.311 1.00 0.00 O ATOM 242 CB SER A 16 -0.234 -14.414 2.260 1.00 0.00 C ATOM 243 OG SER A 16 0.913 -14.013 2.959 1.00 0.00 O ATOM 0 H SER A 16 0.341 -12.285 1.122 1.00 0.00 H new ATOM 0 HA SER A 16 -2.142 -13.632 1.683 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.709 -15.246 2.780 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.046 -14.775 1.271 1.00 0.00 H new ATOM 0 HG SER A 16 1.531 -14.770 3.035 1.00 0.00 H new ATOM 249 N ALA A 17 -1.064 -11.483 3.760 1.00 0.00 N ATOM 250 CA ALA A 17 -1.322 -10.815 5.029 1.00 0.00 C ATOM 251 C ALA A 17 -2.763 -10.330 5.115 1.00 0.00 C ATOM 252 O ALA A 17 -3.391 -10.038 4.097 1.00 0.00 O ATOM 253 CB ALA A 17 -0.360 -9.651 5.219 1.00 0.00 C ATOM 0 H ALA A 17 -0.499 -10.942 3.106 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.163 -11.539 5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.565 -9.162 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.665 -10.022 5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.490 -8.935 4.408 1.00 0.00 H new ATOM 259 N ASN A 18 -3.283 -10.248 6.335 1.00 0.00 N ATOM 260 CA ASN A 18 -4.656 -9.808 6.554 1.00 0.00 C ATOM 261 C ASN A 18 -4.751 -8.288 6.571 1.00 0.00 C ATOM 262 O ASN A 18 -3.746 -7.592 6.429 1.00 0.00 O ATOM 263 CB ASN A 18 -5.204 -10.392 7.844 1.00 0.00 C ATOM 264 CG ASN A 18 -4.520 -9.842 9.064 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.204 -8.649 9.128 1.00 0.00 O ATOM 266 ND2 ASN A 18 -4.287 -10.688 10.033 1.00 0.00 N ATOM 0 H ASN A 18 -2.774 -10.481 7.188 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.261 -10.172 5.724 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.272 -10.185 7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.089 -11.476 7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.826 -10.372 10.886 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.566 -11.664 9.936 1.00 0.00 H new ATOM 273 N GLU A 19 -5.966 -7.778 6.748 1.00 0.00 N ATOM 274 CA GLU A 19 -6.234 -6.357 6.565 1.00 0.00 C ATOM 275 C GLU A 19 -5.449 -5.515 7.564 1.00 0.00 C ATOM 276 O GLU A 19 -4.914 -4.462 7.218 1.00 0.00 O ATOM 277 CB GLU A 19 -7.730 -6.074 6.711 1.00 0.00 C ATOM 278 CG GLU A 19 -8.587 -6.621 5.579 1.00 0.00 C ATOM 279 CD GLU A 19 -10.057 -6.386 5.790 1.00 0.00 C ATOM 280 OE1 GLU A 19 -10.433 -6.048 6.887 1.00 0.00 O ATOM 281 OE2 GLU A 19 -10.805 -6.546 4.854 1.00 0.00 O ATOM 0 H GLU A 19 -6.781 -8.329 7.018 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.914 -6.085 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.078 -6.500 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.879 -4.996 6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.281 -6.156 4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.406 -7.691 5.478 1.00 0.00 H new ATOM 288 N GLN A 20 -5.382 -5.987 8.805 1.00 0.00 N ATOM 289 CA GLN A 20 -4.660 -5.279 9.855 1.00 0.00 C ATOM 290 C GLN A 20 -3.161 -5.274 9.585 1.00 0.00 C ATOM 291 O GLN A 20 -2.483 -4.271 9.810 1.00 0.00 O ATOM 292 CB GLN A 20 -4.942 -5.913 11.220 1.00 0.00 C ATOM 293 CG GLN A 20 -6.363 -5.712 11.717 1.00 0.00 C ATOM 294 CD GLN A 20 -6.617 -6.408 13.041 1.00 0.00 C ATOM 295 OE1 GLN A 20 -5.884 -7.323 13.428 1.00 0.00 O ATOM 296 NE2 GLN A 20 -7.658 -5.977 13.746 1.00 0.00 N ATOM 0 H GLN A 20 -5.819 -6.857 9.108 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.011 -4.247 9.862 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.737 -6.982 11.161 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.250 -5.496 11.952 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.559 -4.645 11.827 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.063 -6.089 10.971 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.237 -5.218 13.388 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.878 -6.406 14.645 1.00 0.00 H new ATOM 305 N GLU A 21 -2.648 -6.400 9.099 1.00 0.00 N ATOM 306 CA GLU A 21 -1.232 -6.518 8.774 1.00 0.00 C ATOM 307 C GLU A 21 -0.867 -5.650 7.577 1.00 0.00 C ATOM 308 O GLU A 21 0.223 -5.080 7.520 1.00 0.00 O ATOM 309 CB GLU A 21 -0.871 -7.978 8.486 1.00 0.00 C ATOM 310 CG GLU A 21 -0.891 -8.883 9.710 1.00 0.00 C ATOM 311 CD GLU A 21 -0.727 -10.336 9.365 1.00 0.00 C ATOM 312 OE1 GLU A 21 -1.213 -10.743 8.337 1.00 0.00 O ATOM 313 OE2 GLU A 21 -0.113 -11.042 10.130 1.00 0.00 O ATOM 0 H GLU A 21 -3.193 -7.244 8.922 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.663 -6.171 9.636 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.567 -8.373 7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.123 -8.013 8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.093 -8.584 10.390 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.832 -8.745 10.242 1.00 0.00 H new ATOM 320 N LEU A 22 -1.785 -5.554 6.621 1.00 0.00 N ATOM 321 CA LEU A 22 -1.605 -4.674 5.471 1.00 0.00 C ATOM 322 C LEU A 22 -1.540 -3.213 5.901 1.00 0.00 C ATOM 323 O LEU A 22 -0.747 -2.435 5.370 1.00 0.00 O ATOM 324 CB LEU A 22 -2.751 -4.868 4.471 1.00 0.00 C ATOM 325 CG LEU A 22 -2.783 -6.223 3.751 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.053 -6.326 2.917 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.544 -6.365 2.881 1.00 0.00 C ATOM 0 H LEU A 22 -2.662 -6.075 6.619 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.660 -4.935 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.696 -4.735 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.691 -4.080 3.721 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.785 -7.033 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.075 -7.288 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.923 -6.240 3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.070 -5.523 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.567 -7.327 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.523 -5.563 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.652 -6.307 3.505 1.00 0.00 H new ATOM 339 N LYS A 23 -2.378 -2.847 6.865 1.00 0.00 N ATOM 340 CA LYS A 23 -2.342 -1.510 7.443 1.00 0.00 C ATOM 341 C LYS A 23 -1.004 -1.239 8.120 1.00 0.00 C ATOM 342 O LYS A 23 -0.426 -0.163 7.964 1.00 0.00 O ATOM 343 CB LYS A 23 -3.484 -1.328 8.445 1.00 0.00 C ATOM 344 CG LYS A 23 -3.547 0.052 9.083 1.00 0.00 C ATOM 345 CD LYS A 23 -4.758 0.184 9.995 1.00 0.00 C ATOM 346 CE LYS A 23 -4.812 1.557 10.649 1.00 0.00 C ATOM 347 NZ LYS A 23 -5.992 1.701 11.546 1.00 0.00 N ATOM 0 H LYS A 23 -3.091 -3.459 7.262 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.466 -0.793 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.429 -1.525 7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.382 -2.075 9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.637 0.233 9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.591 0.813 8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.669 0.017 9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.721 -0.587 10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.899 1.722 11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.848 2.325 9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.991 2.650 11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.865 1.569 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.946 0.985 12.298 1.00 0.00 H new ATOM 361 N LYS A 24 -0.518 -2.220 8.872 1.00 0.00 N ATOM 362 CA LYS A 24 0.779 -2.110 9.529 1.00 0.00 C ATOM 363 C LYS A 24 1.894 -1.892 8.513 1.00 0.00 C ATOM 364 O LYS A 24 2.829 -1.129 8.758 1.00 0.00 O ATOM 365 CB LYS A 24 1.064 -3.361 10.362 1.00 0.00 C ATOM 366 CG LYS A 24 0.211 -3.490 11.616 1.00 0.00 C ATOM 367 CD LYS A 24 0.519 -4.779 12.364 1.00 0.00 C ATOM 368 CE LYS A 24 -0.351 -4.921 13.604 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.065 -6.181 14.343 1.00 0.00 N ATOM 0 H LYS A 24 -1.003 -3.101 9.042 1.00 0.00 H new ATOM 0 HA LYS A 24 0.746 -1.244 10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.907 -4.241 9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.115 -3.358 10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.390 -2.636 12.270 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.844 -3.468 11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.358 -5.632 11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.570 -4.793 12.651 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.186 -4.069 14.263 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.402 -4.901 13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.679 -6.239 15.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.247 -6.996 13.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.931 -6.190 14.642 1.00 0.00 H new ATOM 383 N GLY A 25 1.789 -2.564 7.372 1.00 0.00 N ATOM 384 CA GLY A 25 2.726 -2.362 6.275 1.00 0.00 C ATOM 385 C GLY A 25 2.738 -0.907 5.821 1.00 0.00 C ATOM 386 O GLY A 25 3.799 -0.316 5.630 1.00 0.00 O ATOM 0 H GLY A 25 1.062 -3.255 7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.727 -2.656 6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.454 -3.005 5.438 1.00 0.00 H new ATOM 390 N TYR A 26 1.550 -0.336 5.653 1.00 0.00 N ATOM 391 CA TYR A 26 1.422 1.069 5.287 1.00 0.00 C ATOM 392 C TYR A 26 2.044 1.972 6.343 1.00 0.00 C ATOM 393 O TYR A 26 2.788 2.899 6.021 1.00 0.00 O ATOM 394 CB TYR A 26 -0.051 1.435 5.076 1.00 0.00 C ATOM 395 CG TYR A 26 -0.287 2.912 4.851 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.267 3.542 3.746 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.054 3.637 5.751 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.051 4.891 3.540 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.269 4.986 5.544 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.720 5.612 4.445 1.00 0.00 C ATOM 401 OH TYR A 26 -0.934 6.956 4.239 1.00 0.00 O ATOM 0 H TYR A 26 0.662 -0.825 5.765 1.00 0.00 H new ATOM 0 HA TYR A 26 1.961 1.222 4.352 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.434 0.881 4.219 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.624 1.113 5.946 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.867 2.978 3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.483 3.147 6.613 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.479 5.383 2.680 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.868 5.551 6.244 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.724 7.182 3.309 1.00 0.00 H new ATOM 411 N ARG A 27 1.736 1.698 7.606 1.00 0.00 N ATOM 412 CA ARG A 27 2.239 2.505 8.711 1.00 0.00 C ATOM 413 C ARG A 27 3.762 2.566 8.700 1.00 0.00 C ATOM 414 O ARG A 27 4.352 3.622 8.927 1.00 0.00 O ATOM 415 CB ARG A 27 1.767 1.943 10.043 1.00 0.00 C ATOM 416 CG ARG A 27 0.280 2.112 10.317 1.00 0.00 C ATOM 417 CD ARG A 27 -0.120 1.466 11.593 1.00 0.00 C ATOM 418 NE ARG A 27 0.465 2.132 12.745 1.00 0.00 N ATOM 419 CZ ARG A 27 0.458 1.638 13.999 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.106 0.476 14.245 1.00 0.00 N ATOM 421 NH2 ARG A 27 1.018 2.322 14.981 1.00 0.00 N ATOM 0 H ARG A 27 1.139 0.921 7.890 1.00 0.00 H new ATOM 0 HA ARG A 27 1.846 3.514 8.585 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.010 0.881 10.080 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.327 2.426 10.844 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.035 3.173 10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.293 1.681 9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.206 1.477 11.680 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.188 0.421 11.583 1.00 0.00 H new ATOM 0 HE ARG A 27 0.912 3.036 12.594 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.538 -0.052 13.487 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.111 0.102 15.194 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.455 3.223 14.790 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.013 1.949 15.930 1.00 0.00 H new ATOM 435 N LYS A 28 4.392 1.426 8.436 1.00 0.00 N ATOM 436 CA LYS A 28 5.846 1.358 8.348 1.00 0.00 C ATOM 437 C LYS A 28 6.365 2.161 7.162 1.00 0.00 C ATOM 438 O LYS A 28 7.320 2.928 7.289 1.00 0.00 O ATOM 439 CB LYS A 28 6.309 -0.096 8.241 1.00 0.00 C ATOM 440 CG LYS A 28 6.123 -0.909 9.516 1.00 0.00 C ATOM 441 CD LYS A 28 6.565 -2.352 9.319 1.00 0.00 C ATOM 442 CE LYS A 28 6.358 -3.172 10.585 1.00 0.00 C ATOM 443 NZ LYS A 28 6.763 -4.592 10.399 1.00 0.00 N ATOM 0 H LYS A 28 3.918 0.536 8.279 1.00 0.00 H new ATOM 0 HA LYS A 28 6.255 1.794 9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.762 -0.581 7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.364 -0.110 7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.697 -0.457 10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.075 -0.885 9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.003 -2.798 8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.617 -2.377 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.935 -2.734 11.400 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.309 -3.129 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.607 -5.116 11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.195 -5.018 9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.770 -4.635 10.145 1.00 0.00 H new ATOM 457 N ALA A 29 5.729 1.981 6.008 1.00 0.00 N ATOM 458 CA ALA A 29 6.110 2.707 4.803 1.00 0.00 C ATOM 459 C ALA A 29 5.844 4.200 4.953 1.00 0.00 C ATOM 460 O ALA A 29 6.603 5.029 4.450 1.00 0.00 O ATOM 461 CB ALA A 29 5.364 2.156 3.597 1.00 0.00 C ATOM 0 H ALA A 29 4.947 1.338 5.883 1.00 0.00 H new ATOM 0 HA ALA A 29 7.180 2.569 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.658 2.708 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.608 1.101 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.291 2.264 3.753 1.00 0.00 H new ATOM 467 N ALA A 30 4.762 4.536 5.648 1.00 0.00 N ATOM 468 CA ALA A 30 4.401 5.932 5.875 1.00 0.00 C ATOM 469 C ALA A 30 5.465 6.648 6.697 1.00 0.00 C ATOM 470 O ALA A 30 5.800 7.801 6.426 1.00 0.00 O ATOM 471 CB ALA A 30 3.049 6.022 6.566 1.00 0.00 C ATOM 0 H ALA A 30 4.120 3.861 6.064 1.00 0.00 H new ATOM 0 HA ALA A 30 4.335 6.426 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.793 7.069 6.729 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.289 5.555 5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.096 5.506 7.525 1.00 0.00 H new ATOM 477 N LEU A 31 5.993 5.959 7.703 1.00 0.00 N ATOM 478 CA LEU A 31 7.108 6.478 8.485 1.00 0.00 C ATOM 479 C LEU A 31 8.369 6.595 7.637 1.00 0.00 C ATOM 480 O LEU A 31 9.114 7.570 7.747 1.00 0.00 O ATOM 481 CB LEU A 31 7.379 5.568 9.690 1.00 0.00 C ATOM 482 CG LEU A 31 6.307 5.582 10.787 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.615 4.497 11.811 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.267 6.954 11.440 1.00 0.00 C ATOM 0 H LEU A 31 5.666 5.038 7.996 1.00 0.00 H new ATOM 0 HA LEU A 31 6.835 7.473 8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.493 4.545 9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.331 5.858 10.134 1.00 0.00 H new ATOM 0 HG LEU A 31 5.327 5.379 10.354 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.854 4.506 12.591 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.620 3.524 11.320 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.592 4.683 12.256 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.505 6.964 12.220 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.239 7.176 11.880 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.028 7.707 10.689 1.00 0.00 H new ATOM 496 N LYS A 32 8.602 5.598 6.791 1.00 0.00 N ATOM 497 CA LYS A 32 9.767 5.593 5.915 1.00 0.00 C ATOM 498 C LYS A 32 9.798 6.833 5.032 1.00 0.00 C ATOM 499 O LYS A 32 10.843 7.466 4.869 1.00 0.00 O ATOM 500 CB LYS A 32 9.782 4.332 5.051 1.00 0.00 C ATOM 501 CG LYS A 32 10.987 4.216 4.127 1.00 0.00 C ATOM 502 CD LYS A 32 10.967 2.906 3.353 1.00 0.00 C ATOM 503 CE LYS A 32 12.168 2.792 2.425 1.00 0.00 C ATOM 504 NZ LYS A 32 12.168 1.510 1.671 1.00 0.00 N ATOM 0 H LYS A 32 7.998 4.782 6.693 1.00 0.00 H new ATOM 0 HA LYS A 32 10.657 5.601 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.754 3.459 5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.874 4.308 4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.994 5.053 3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.904 4.281 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.964 2.069 4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.048 2.839 2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.164 3.626 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.086 2.870 3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.002 1.472 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.197 0.714 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.305 1.446 1.095 1.00 0.00 H new ATOM 518 N TYR A 33 8.648 7.177 4.463 1.00 0.00 N ATOM 519 CA TYR A 33 8.554 8.306 3.544 1.00 0.00 C ATOM 520 C TYR A 33 7.831 9.482 4.187 1.00 0.00 C ATOM 521 O TYR A 33 7.271 10.332 3.496 1.00 0.00 O ATOM 522 CB TYR A 33 7.846 7.889 2.253 1.00 0.00 C ATOM 523 CG TYR A 33 8.533 6.762 1.515 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.906 5.531 1.388 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.791 6.959 0.965 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.535 4.502 0.714 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.419 5.930 0.291 1.00 0.00 C ATOM 528 CZ TYR A 33 9.795 4.707 0.165 1.00 0.00 C ATOM 529 OH TYR A 33 10.421 3.682 -0.507 1.00 0.00 O ATOM 0 H TYR A 33 7.766 6.689 4.622 1.00 0.00 H new ATOM 0 HA TYR A 33 9.568 8.624 3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.826 7.586 2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.776 8.753 1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.926 5.377 1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.279 7.917 1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.050 3.542 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.399 6.083 -0.137 1.00 0.00 H new ATOM 0 HH TYR A 33 11.294 3.988 -0.830 1.00 0.00 H new ATOM 539 N HIS A 34 7.850 9.526 5.516 1.00 0.00 N ATOM 540 CA HIS A 34 7.133 10.556 6.258 1.00 0.00 C ATOM 541 C HIS A 34 7.724 11.936 5.992 1.00 0.00 C ATOM 542 O HIS A 34 8.940 12.122 6.041 1.00 0.00 O ATOM 543 CB HIS A 34 7.168 10.264 7.761 1.00 0.00 C ATOM 544 CG HIS A 34 6.140 11.020 8.545 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.249 12.370 8.805 1.00 0.00 N ATOM 546 CD2 HIS A 34 4.985 10.616 9.124 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.204 12.765 9.511 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.423 11.719 9.719 1.00 0.00 N ATOM 0 H HIS A 34 8.355 8.860 6.101 1.00 0.00 H new ATOM 0 HA HIS A 34 6.098 10.547 5.916 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.019 9.196 7.918 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.158 10.508 8.147 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.581 9.614 9.119 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.020 13.771 9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.545 11.729 10.238 1.00 0.00 H new ATOM 556 N PRO A 35 6.855 12.901 5.710 1.00 0.00 N ATOM 557 CA PRO A 35 7.292 14.237 5.322 1.00 0.00 C ATOM 558 C PRO A 35 8.246 14.826 6.353 1.00 0.00 C ATOM 559 O PRO A 35 9.167 15.567 6.010 1.00 0.00 O ATOM 560 CB PRO A 35 5.980 15.023 5.252 1.00 0.00 C ATOM 561 CG PRO A 35 4.969 14.011 4.831 1.00 0.00 C ATOM 562 CD PRO A 35 5.371 12.756 5.560 1.00 0.00 C ATOM 0 HA PRO A 35 7.847 14.254 4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.726 15.461 6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.045 15.843 4.537 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.960 14.321 5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.979 13.864 3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.875 12.677 6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.110 11.862 4.994 1.00 0.00 H new ATOM 570 N ASP A 36 8.019 14.493 7.619 1.00 0.00 N ATOM 571 CA ASP A 36 8.727 15.137 8.720 1.00 0.00 C ATOM 572 C ASP A 36 9.980 14.360 9.099 1.00 0.00 C ATOM 573 O ASP A 36 10.616 14.645 10.114 1.00 0.00 O ATOM 574 CB ASP A 36 7.812 15.269 9.940 1.00 0.00 C ATOM 575 CG ASP A 36 6.654 16.231 9.713 1.00 0.00 C ATOM 576 OD1 ASP A 36 6.782 17.096 8.877 1.00 0.00 O ATOM 577 OD2 ASP A 36 5.655 16.094 10.376 1.00 0.00 O ATOM 0 H ASP A 36 7.350 13.780 7.909 1.00 0.00 H new ATOM 0 HA ASP A 36 9.025 16.131 8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.416 14.287 10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.399 15.610 10.793 1.00 0.00 H new ATOM 582 N LYS A 37 10.333 13.378 8.277 1.00 0.00 N ATOM 583 CA LYS A 37 11.550 12.604 8.486 1.00 0.00 C ATOM 584 C LYS A 37 12.602 12.937 7.434 1.00 0.00 C ATOM 585 O LYS A 37 12.277 13.417 6.348 1.00 0.00 O ATOM 586 CB LYS A 37 11.243 11.105 8.465 1.00 0.00 C ATOM 587 CG LYS A 37 10.300 10.642 9.568 1.00 0.00 C ATOM 588 CD LYS A 37 10.933 10.803 10.940 1.00 0.00 C ATOM 589 CE LYS A 37 10.031 10.252 12.036 1.00 0.00 C ATOM 590 NZ LYS A 37 10.611 10.458 13.390 1.00 0.00 N ATOM 0 H LYS A 37 9.792 13.099 7.458 1.00 0.00 H new ATOM 0 HA LYS A 37 11.949 12.870 9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.807 10.849 7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.179 10.553 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.374 11.216 9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.035 9.597 9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.893 10.287 10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.134 11.858 11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.056 10.737 11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.867 9.187 11.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.966 10.069 14.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.530 9.974 13.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.744 11.475 13.560 1.00 0.00 H new ATOM 604 N PRO A 38 13.863 12.679 7.764 1.00 0.00 N ATOM 605 CA PRO A 38 14.965 12.963 6.854 1.00 0.00 C ATOM 606 C PRO A 38 14.765 12.271 5.512 1.00 0.00 C ATOM 607 O PRO A 38 15.188 12.776 4.472 1.00 0.00 O ATOM 608 CB PRO A 38 16.181 12.406 7.601 1.00 0.00 C ATOM 609 CG PRO A 38 15.807 12.514 9.039 1.00 0.00 C ATOM 610 CD PRO A 38 14.340 12.177 9.071 1.00 0.00 C ATOM 0 HA PRO A 38 15.063 14.021 6.613 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.383 11.373 7.319 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.081 12.979 7.379 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.386 11.825 9.653 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.993 13.517 9.424 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.173 11.105 9.179 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.831 12.664 9.902 1.00 0.00 H new ATOM 618 N THR A 39 14.118 11.111 5.542 1.00 0.00 N ATOM 619 CA THR A 39 13.924 10.309 4.339 1.00 0.00 C ATOM 620 C THR A 39 12.532 10.517 3.756 1.00 0.00 C ATOM 621 O THR A 39 12.040 9.692 2.988 1.00 0.00 O ATOM 622 CB THR A 39 14.147 8.814 4.627 1.00 0.00 C ATOM 623 OG1 THR A 39 13.235 8.380 5.645 1.00 0.00 O ATOM 624 CG2 THR A 39 15.573 8.566 5.090 1.00 0.00 C ATOM 0 H THR A 39 13.718 10.704 6.388 1.00 0.00 H new ATOM 0 HA THR A 39 14.662 10.640 3.609 1.00 0.00 H new ATOM 0 HB THR A 39 13.972 8.253 3.709 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.496 7.886 5.233 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.711 7.503 5.289 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.268 8.883 4.313 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.764 9.133 6.001 1.00 0.00 H new ATOM 632 N GLY A 40 11.901 11.627 4.126 1.00 0.00 N ATOM 633 CA GLY A 40 10.556 11.937 3.654 1.00 0.00 C ATOM 634 C GLY A 40 10.522 12.067 2.136 1.00 0.00 C ATOM 635 O GLY A 40 11.457 12.588 1.526 1.00 0.00 O ATOM 0 H GLY A 40 12.300 12.327 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.867 11.154 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.213 12.866 4.109 1.00 0.00 H new ATOM 639 N ASP A 41 9.440 11.591 1.532 1.00 0.00 N ATOM 640 CA ASP A 41 9.292 11.630 0.081 1.00 0.00 C ATOM 641 C ASP A 41 7.824 11.663 -0.323 1.00 0.00 C ATOM 642 O ASP A 41 7.134 10.644 -0.274 1.00 0.00 O ATOM 643 CB ASP A 41 9.978 10.423 -0.562 1.00 0.00 C ATOM 644 CG ASP A 41 9.942 10.462 -2.083 1.00 0.00 C ATOM 645 OD1 ASP A 41 8.996 10.984 -2.623 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.862 9.970 -2.692 1.00 0.00 O ATOM 0 H ASP A 41 8.651 11.173 2.025 1.00 0.00 H new ATOM 0 HA ASP A 41 9.769 12.544 -0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.015 10.381 -0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.495 9.510 -0.215 1.00 0.00 H new ATOM 651 N THR A 42 7.351 12.840 -0.721 1.00 0.00 N ATOM 652 CA THR A 42 5.934 13.041 -0.999 1.00 0.00 C ATOM 653 C THR A 42 5.453 12.112 -2.107 1.00 0.00 C ATOM 654 O THR A 42 4.368 11.537 -2.022 1.00 0.00 O ATOM 655 CB THR A 42 5.648 14.502 -1.389 1.00 0.00 C ATOM 656 OG1 THR A 42 5.987 15.366 -0.296 1.00 0.00 O ATOM 657 CG2 THR A 42 4.178 14.684 -1.737 1.00 0.00 C ATOM 0 H THR A 42 7.929 13.669 -0.858 1.00 0.00 H new ATOM 0 HA THR A 42 5.389 12.807 -0.084 1.00 0.00 H new ATOM 0 HB THR A 42 6.251 14.754 -2.261 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.806 16.296 -0.546 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.995 15.723 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.920 14.037 -2.576 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.565 14.422 -0.875 1.00 0.00 H new ATOM 665 N GLU A 43 6.267 11.970 -3.147 1.00 0.00 N ATOM 666 CA GLU A 43 5.914 11.133 -4.288 1.00 0.00 C ATOM 667 C GLU A 43 5.675 9.691 -3.861 1.00 0.00 C ATOM 668 O GLU A 43 4.640 9.104 -4.176 1.00 0.00 O ATOM 669 CB GLU A 43 7.016 11.185 -5.349 1.00 0.00 C ATOM 670 CG GLU A 43 6.732 10.349 -6.590 1.00 0.00 C ATOM 671 CD GLU A 43 7.805 10.474 -7.636 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.712 11.246 -7.439 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.717 9.797 -8.633 1.00 0.00 O ATOM 0 H GLU A 43 7.177 12.424 -3.224 1.00 0.00 H new ATOM 0 HA GLU A 43 4.989 11.523 -4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.165 12.222 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.950 10.845 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.632 9.302 -6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.777 10.655 -7.018 1.00 0.00 H new ATOM 680 N LYS A 44 6.637 9.125 -3.140 1.00 0.00 N ATOM 681 CA LYS A 44 6.543 7.744 -2.684 1.00 0.00 C ATOM 682 C LYS A 44 5.476 7.591 -1.608 1.00 0.00 C ATOM 683 O LYS A 44 4.808 6.559 -1.525 1.00 0.00 O ATOM 684 CB LYS A 44 7.895 7.259 -2.158 1.00 0.00 C ATOM 685 CG LYS A 44 8.998 7.216 -3.206 1.00 0.00 C ATOM 686 CD LYS A 44 8.610 6.333 -4.382 1.00 0.00 C ATOM 687 CE LYS A 44 8.636 4.860 -4.002 1.00 0.00 C ATOM 688 NZ LYS A 44 8.339 3.979 -5.165 1.00 0.00 N ATOM 0 H LYS A 44 7.493 9.603 -2.859 1.00 0.00 H new ATOM 0 HA LYS A 44 6.256 7.130 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.210 7.911 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.771 6.261 -1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.206 8.226 -3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.917 6.841 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.613 6.603 -4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.294 6.508 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.616 4.607 -3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.907 4.676 -3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.333 2.986 -4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.408 4.225 -5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.068 4.110 -5.895 1.00 0.00 H new ATOM 702 N PHE A 45 5.319 8.622 -0.786 1.00 0.00 N ATOM 703 CA PHE A 45 4.280 8.637 0.237 1.00 0.00 C ATOM 704 C PHE A 45 2.892 8.577 -0.389 1.00 0.00 C ATOM 705 O PHE A 45 2.005 7.885 0.110 1.00 0.00 O ATOM 706 CB PHE A 45 4.400 9.892 1.104 1.00 0.00 C ATOM 707 CG PHE A 45 3.532 9.867 2.329 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.271 10.445 2.313 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.973 9.268 3.498 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.471 10.423 3.441 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.175 9.245 4.625 1.00 0.00 C ATOM 712 CZ PHE A 45 1.923 9.823 4.596 1.00 0.00 C ATOM 0 H PHE A 45 5.899 9.460 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 45 4.417 7.755 0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.439 10.014 1.409 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.140 10.764 0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.910 10.917 1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.952 8.814 3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.491 10.877 3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.531 8.774 5.529 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.298 9.805 5.477 1.00 0.00 H new ATOM 722 N LYS A 46 2.710 9.306 -1.484 1.00 0.00 N ATOM 723 CA LYS A 46 1.458 9.269 -2.230 1.00 0.00 C ATOM 724 C LYS A 46 1.195 7.880 -2.797 1.00 0.00 C ATOM 725 O LYS A 46 0.072 7.377 -2.737 1.00 0.00 O ATOM 726 CB LYS A 46 1.476 10.302 -3.359 1.00 0.00 C ATOM 727 CG LYS A 46 0.187 10.373 -4.168 1.00 0.00 C ATOM 728 CD LYS A 46 0.254 11.471 -5.218 1.00 0.00 C ATOM 729 CE LYS A 46 -1.024 11.527 -6.042 1.00 0.00 C ATOM 730 NZ LYS A 46 -0.972 12.596 -7.076 1.00 0.00 N ATOM 0 H LYS A 46 3.415 9.931 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 46 0.652 9.513 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.678 11.285 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.301 10.071 -4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.006 9.414 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.655 10.556 -3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.418 12.433 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.106 11.297 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.187 10.563 -6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.874 11.701 -5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.861 12.601 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.842 13.519 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.177 12.416 -7.721 1.00 0.00 H new ATOM 744 N GLU A 47 2.235 7.263 -3.344 1.00 0.00 N ATOM 745 CA GLU A 47 2.108 5.950 -3.965 1.00 0.00 C ATOM 746 C GLU A 47 1.609 4.914 -2.966 1.00 0.00 C ATOM 747 O GLU A 47 0.700 4.139 -3.263 1.00 0.00 O ATOM 748 CB GLU A 47 3.452 5.503 -4.548 1.00 0.00 C ATOM 749 CG GLU A 47 3.877 6.260 -5.799 1.00 0.00 C ATOM 750 CD GLU A 47 5.211 5.813 -6.327 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.804 4.945 -5.734 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.638 6.343 -7.326 1.00 0.00 O ATOM 0 H GLU A 47 3.178 7.652 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 47 1.377 6.032 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.223 5.622 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.397 4.440 -4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.122 6.126 -6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.919 7.326 -5.576 1.00 0.00 H new ATOM 759 N ILE A 48 2.209 4.907 -1.780 1.00 0.00 N ATOM 760 CA ILE A 48 1.857 3.936 -0.750 1.00 0.00 C ATOM 761 C ILE A 48 0.508 4.263 -0.123 1.00 0.00 C ATOM 762 O ILE A 48 -0.176 3.381 0.397 1.00 0.00 O ATOM 763 CB ILE A 48 2.935 3.886 0.349 1.00 0.00 C ATOM 764 CG1 ILE A 48 3.024 5.233 1.070 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.281 3.507 -0.246 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.892 5.206 2.308 1.00 0.00 C ATOM 0 H ILE A 48 2.941 5.563 -1.508 1.00 0.00 H new ATOM 0 HA ILE A 48 1.793 2.960 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 48 2.655 3.125 1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.416 5.979 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.020 5.553 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.032 3.476 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.208 2.526 -0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.570 4.247 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.906 6.196 2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.489 4.485 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.907 4.918 2.034 1.00 0.00 H new ATOM 778 N SER A 49 0.127 5.534 -0.178 1.00 0.00 N ATOM 779 CA SER A 49 -1.178 5.966 0.310 1.00 0.00 C ATOM 780 C SER A 49 -2.295 5.483 -0.605 1.00 0.00 C ATOM 781 O SER A 49 -3.356 5.068 -0.140 1.00 0.00 O ATOM 782 CB SER A 49 -1.219 7.477 0.420 1.00 0.00 C ATOM 783 OG SER A 49 -0.362 7.932 1.432 1.00 0.00 O ATOM 0 H SER A 49 0.704 6.285 -0.556 1.00 0.00 H new ATOM 0 HA SER A 49 -1.331 5.528 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.931 7.922 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.238 7.802 0.629 1.00 0.00 H new ATOM 0 HG SER A 49 0.522 8.119 1.052 1.00 0.00 H new ATOM 789 N GLU A 50 -2.051 5.540 -1.910 1.00 0.00 N ATOM 790 CA GLU A 50 -2.947 4.931 -2.885 1.00 0.00 C ATOM 791 C GLU A 50 -3.030 3.422 -2.692 1.00 0.00 C ATOM 792 O GLU A 50 -4.118 2.848 -2.672 1.00 0.00 O ATOM 793 CB GLU A 50 -2.483 5.248 -4.308 1.00 0.00 C ATOM 794 CG GLU A 50 -3.378 4.684 -5.403 1.00 0.00 C ATOM 795 CD GLU A 50 -2.894 5.020 -6.786 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.744 5.360 -6.925 1.00 0.00 O ATOM 797 OE2 GLU A 50 -3.675 4.936 -7.704 1.00 0.00 O ATOM 0 H GLU A 50 -1.238 6.003 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.941 5.351 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.424 6.330 -4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.474 4.858 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.435 3.601 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.389 5.070 -5.274 1.00 0.00 H new ATOM 804 N ALA A 51 -1.872 2.785 -2.549 1.00 0.00 N ATOM 805 CA ALA A 51 -1.814 1.350 -2.298 1.00 0.00 C ATOM 806 C ALA A 51 -2.644 0.970 -1.080 1.00 0.00 C ATOM 807 O ALA A 51 -3.419 0.015 -1.119 1.00 0.00 O ATOM 808 CB ALA A 51 -0.371 0.904 -2.116 1.00 0.00 C ATOM 0 H ALA A 51 -0.961 3.241 -2.603 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.235 0.839 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.343 -0.170 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.196 1.130 -3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.069 1.431 -1.269 1.00 0.00 H new ATOM 814 N PHE A 52 -2.477 1.724 0.001 1.00 0.00 N ATOM 815 CA PHE A 52 -3.235 1.487 1.224 1.00 0.00 C ATOM 816 C PHE A 52 -4.734 1.607 0.975 1.00 0.00 C ATOM 817 O PHE A 52 -5.500 0.698 1.294 1.00 0.00 O ATOM 818 CB PHE A 52 -2.815 2.475 2.314 1.00 0.00 C ATOM 819 CG PHE A 52 -3.650 2.395 3.560 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.580 1.286 4.389 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.508 3.428 3.905 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.347 1.212 5.535 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.277 3.357 5.050 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.196 2.246 5.868 1.00 0.00 C ATOM 0 H PHE A 52 -1.823 2.505 0.055 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.019 0.471 1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.772 2.293 2.574 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.871 3.488 1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.918 0.471 4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.576 4.299 3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.282 0.342 6.172 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.941 4.169 5.306 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.795 2.188 6.765 1.00 0.00 H new ATOM 834 N GLU A 53 -5.145 2.732 0.403 1.00 0.00 N ATOM 835 CA GLU A 53 -6.557 2.993 0.151 1.00 0.00 C ATOM 836 C GLU A 53 -7.200 1.848 -0.621 1.00 0.00 C ATOM 837 O GLU A 53 -8.266 1.358 -0.252 1.00 0.00 O ATOM 838 CB GLU A 53 -6.730 4.301 -0.623 1.00 0.00 C ATOM 839 CG GLU A 53 -8.142 4.552 -1.129 1.00 0.00 C ATOM 840 CD GLU A 53 -9.136 4.751 -0.018 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.730 5.127 1.056 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.302 4.526 -0.242 1.00 0.00 O ATOM 0 H GLU A 53 -4.519 3.480 0.104 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.055 3.080 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.435 5.131 0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.048 4.298 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.141 5.433 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.457 3.709 -1.745 1.00 0.00 H new ATOM 849 N ILE A 54 -6.542 1.423 -1.696 1.00 0.00 N ATOM 850 CA ILE A 54 -7.062 0.352 -2.538 1.00 0.00 C ATOM 851 C ILE A 54 -7.076 -0.976 -1.793 1.00 0.00 C ATOM 852 O ILE A 54 -8.038 -1.740 -1.887 1.00 0.00 O ATOM 853 CB ILE A 54 -6.226 0.212 -3.824 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.423 1.434 -4.725 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.599 -1.064 -4.563 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.448 1.505 -5.878 1.00 0.00 C ATOM 0 H ILE A 54 -5.648 1.805 -2.004 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.086 0.615 -2.804 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.173 0.154 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.439 1.422 -5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.326 2.337 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.999 -1.148 -5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.410 -1.925 -3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.656 -1.035 -4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.650 2.397 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.430 1.549 -5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.560 0.620 -6.504 1.00 0.00 H new ATOM 868 N LEU A 55 -6.006 -1.246 -1.053 1.00 0.00 N ATOM 869 CA LEU A 55 -5.845 -2.528 -0.378 1.00 0.00 C ATOM 870 C LEU A 55 -6.519 -2.519 0.988 1.00 0.00 C ATOM 871 O LEU A 55 -6.602 -3.549 1.657 1.00 0.00 O ATOM 872 CB LEU A 55 -4.356 -2.860 -0.219 1.00 0.00 C ATOM 873 CG LEU A 55 -3.568 -3.021 -1.525 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.104 -3.298 -1.205 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.170 -4.152 -2.346 1.00 0.00 C ATOM 0 H LEU A 55 -5.236 -0.593 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.322 -3.292 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.888 -2.072 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.267 -3.783 0.354 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.625 -2.103 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.544 -3.412 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.693 -2.466 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.027 -4.214 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.610 -4.266 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.122 -5.080 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.210 -3.921 -2.576 1.00 0.00 H new ATOM 887 N ASN A 56 -6.998 -1.350 1.398 1.00 0.00 N ATOM 888 CA ASN A 56 -7.784 -1.230 2.621 1.00 0.00 C ATOM 889 C ASN A 56 -9.237 -1.615 2.382 1.00 0.00 C ATOM 890 O ASN A 56 -9.765 -2.520 3.028 1.00 0.00 O ATOM 891 CB ASN A 56 -7.689 0.177 3.181 1.00 0.00 C ATOM 892 CG ASN A 56 -8.388 0.320 4.504 1.00 0.00 C ATOM 893 OD1 ASN A 56 -8.082 -0.394 5.464 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.325 1.232 4.573 1.00 0.00 N ATOM 0 H ASN A 56 -6.856 -0.471 0.901 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.371 -1.923 3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.640 0.448 3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.122 0.878 2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.835 1.375 5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.545 1.800 3.755 1.00 0.00 H new ATOM 901 N ASP A 57 -9.882 -0.922 1.449 1.00 0.00 N ATOM 902 CA ASP A 57 -11.246 -1.251 1.056 1.00 0.00 C ATOM 903 C ASP A 57 -11.318 -2.632 0.416 1.00 0.00 C ATOM 904 O ASP A 57 -10.726 -2.869 -0.638 1.00 0.00 O ATOM 905 CB ASP A 57 -11.791 -0.202 0.081 1.00 0.00 C ATOM 906 CG ASP A 57 -13.253 -0.432 -0.279 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.742 -1.510 -0.034 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.866 0.472 -0.794 1.00 0.00 O ATOM 0 H ASP A 57 -9.480 -0.128 0.951 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.858 -1.256 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.682 0.789 0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.192 -0.213 -0.829 1.00 0.00 H new ATOM 913 N PRO A 58 -12.046 -3.539 1.058 1.00 0.00 N ATOM 914 CA PRO A 58 -12.159 -4.911 0.576 1.00 0.00 C ATOM 915 C PRO A 58 -12.585 -4.946 -0.887 1.00 0.00 C ATOM 916 O PRO A 58 -12.139 -5.803 -1.651 1.00 0.00 O ATOM 917 CB PRO A 58 -13.233 -5.509 1.491 1.00 0.00 C ATOM 918 CG PRO A 58 -13.067 -4.775 2.778 1.00 0.00 C ATOM 919 CD PRO A 58 -12.750 -3.361 2.365 1.00 0.00 C ATOM 0 HA PRO A 58 -11.218 -5.461 0.610 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.232 -5.368 1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.091 -6.582 1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.974 -4.819 3.380 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.264 -5.203 3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.653 -2.760 2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.118 -2.859 3.098 1.00 0.00 H new ATOM 927 N GLN A 59 -13.448 -4.012 -1.270 1.00 0.00 N ATOM 928 CA GLN A 59 -13.962 -3.959 -2.633 1.00 0.00 C ATOM 929 C GLN A 59 -12.870 -3.565 -3.619 1.00 0.00 C ATOM 930 O GLN A 59 -12.753 -4.149 -4.697 1.00 0.00 O ATOM 931 CB GLN A 59 -15.130 -2.974 -2.727 1.00 0.00 C ATOM 932 CG GLN A 59 -15.805 -2.935 -4.087 1.00 0.00 C ATOM 933 CD GLN A 59 -16.473 -4.249 -4.440 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.310 -4.759 -3.688 1.00 0.00 O ATOM 935 NE2 GLN A 59 -16.107 -4.810 -5.586 1.00 0.00 N ATOM 0 H GLN A 59 -13.806 -3.281 -0.655 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.315 -4.957 -2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -15.872 -3.235 -1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.768 -1.975 -2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.549 -2.138 -4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -15.065 -2.690 -4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -15.412 -4.355 -6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.521 -5.696 -5.875 1.00 0.00 H new ATOM 944 N LYS A 60 -12.072 -2.571 -3.246 1.00 0.00 N ATOM 945 CA LYS A 60 -11.000 -2.083 -4.107 1.00 0.00 C ATOM 946 C LYS A 60 -9.855 -3.085 -4.182 1.00 0.00 C ATOM 947 O LYS A 60 -9.233 -3.252 -5.230 1.00 0.00 O ATOM 948 CB LYS A 60 -10.486 -0.733 -3.607 1.00 0.00 C ATOM 949 CG LYS A 60 -11.477 0.414 -3.759 1.00 0.00 C ATOM 950 CD LYS A 60 -10.892 1.722 -3.247 1.00 0.00 C ATOM 951 CE LYS A 60 -11.901 2.856 -3.347 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.330 4.151 -2.886 1.00 0.00 N ATOM 0 H LYS A 60 -12.147 -2.086 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.408 -1.957 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.217 -0.828 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.573 -0.483 -4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.753 0.522 -4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.391 0.183 -3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.579 1.601 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.001 1.974 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.235 2.954 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.780 2.614 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.049 4.897 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.034 4.066 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.507 4.396 -3.473 1.00 0.00 H new ATOM 966 N ARG A 61 -9.582 -3.748 -3.063 1.00 0.00 N ATOM 967 CA ARG A 61 -8.551 -4.778 -3.017 1.00 0.00 C ATOM 968 C ARG A 61 -8.908 -5.956 -3.915 1.00 0.00 C ATOM 969 O ARG A 61 -8.063 -6.468 -4.648 1.00 0.00 O ATOM 970 CB ARG A 61 -8.352 -5.273 -1.591 1.00 0.00 C ATOM 971 CG ARG A 61 -7.235 -6.288 -1.417 1.00 0.00 C ATOM 972 CD ARG A 61 -6.949 -6.549 0.017 1.00 0.00 C ATOM 973 NE ARG A 61 -8.054 -7.225 0.676 1.00 0.00 N ATOM 974 CZ ARG A 61 -8.830 -6.672 1.629 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.610 -5.437 2.021 1.00 0.00 N ATOM 976 NH2 ARG A 61 -9.814 -7.372 2.167 1.00 0.00 N ATOM 0 H ARG A 61 -10.060 -3.590 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.625 -4.330 -3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.148 -4.416 -0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.284 -5.717 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.511 -7.221 -1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.332 -5.924 -1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.048 -7.157 0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.746 -5.606 0.524 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.256 -8.185 0.398 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.852 -4.897 1.604 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.197 -5.019 2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.985 -8.330 1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.402 -6.954 2.888 1.00 0.00 H new ATOM 990 N GLU A 62 -10.166 -6.380 -3.852 1.00 0.00 N ATOM 991 CA GLU A 62 -10.667 -7.423 -4.740 1.00 0.00 C ATOM 992 C GLU A 62 -10.490 -7.034 -6.202 1.00 0.00 C ATOM 993 O GLU A 62 -9.961 -7.806 -7.000 1.00 0.00 O ATOM 994 CB GLU A 62 -12.144 -7.706 -4.453 1.00 0.00 C ATOM 995 CG GLU A 62 -12.756 -8.794 -5.322 1.00 0.00 C ATOM 996 CD GLU A 62 -14.201 -9.056 -4.996 1.00 0.00 C ATOM 997 OE1 GLU A 62 -14.715 -8.421 -4.109 1.00 0.00 O ATOM 998 OE2 GLU A 62 -14.790 -9.894 -5.638 1.00 0.00 O ATOM 0 H GLU A 62 -10.857 -6.017 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.086 -8.326 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.250 -7.991 -3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.711 -6.786 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.671 -8.506 -6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.187 -9.715 -5.197 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.936 -5.831 -6.547 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.837 -5.340 -7.916 1.00 0.00 C ATOM 1007 C ILE A 63 -9.387 -5.298 -8.383 1.00 0.00 C ATOM 1008 O ILE A 63 -9.081 -5.650 -9.521 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.459 -3.937 -8.044 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.976 -4.008 -7.857 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -11.113 -3.322 -9.390 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.631 -2.658 -7.669 1.00 0.00 C ATOM 0 H ILE A 63 -11.370 -5.177 -5.896 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.390 -6.034 -8.549 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.045 -3.301 -7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.417 -4.498 -8.725 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.197 -4.633 -6.992 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.561 -2.331 -9.463 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.030 -3.239 -9.485 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.499 -3.955 -10.189 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.706 -2.789 -7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.218 -2.173 -6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.442 -2.037 -8.544 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.498 -4.863 -7.495 1.00 0.00 N ATOM 1025 CA TYR A 64 -7.076 -4.789 -7.809 1.00 0.00 C ATOM 1026 C TYR A 64 -6.520 -6.160 -8.173 1.00 0.00 C ATOM 1027 O TYR A 64 -5.942 -6.341 -9.245 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.298 -4.197 -6.631 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.796 -4.285 -6.786 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.166 -3.617 -7.825 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -4.050 -5.034 -5.888 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.794 -3.697 -7.966 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.678 -5.116 -6.030 1.00 0.00 C ATOM 1034 CZ TYR A 64 -2.050 -4.450 -7.064 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.683 -4.529 -7.204 1.00 0.00 O ATOM 0 H TYR A 64 -8.738 -4.556 -6.552 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.958 -4.136 -8.673 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.581 -3.151 -6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.591 -4.715 -5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.748 -3.034 -8.524 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.541 -5.553 -5.078 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.301 -3.177 -8.774 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.097 -5.701 -5.332 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.439 -4.352 -8.137 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.699 -7.123 -7.276 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.133 -8.455 -7.458 1.00 0.00 C ATOM 1047 C ASP A 65 -6.855 -9.211 -8.567 1.00 0.00 C ATOM 1048 O ASP A 65 -6.268 -10.065 -9.231 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.210 -9.253 -6.154 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.207 -8.780 -5.111 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -4.222 -8.189 -5.487 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -5.436 -9.012 -3.948 1.00 0.00 O ATOM 0 H ASP A 65 -7.232 -7.006 -6.414 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.088 -8.336 -7.743 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.217 -9.174 -5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.034 -10.307 -6.368 1.00 0.00 H new ATOM 1057 N GLN A 66 -8.130 -8.893 -8.761 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.952 -9.588 -9.745 1.00 0.00 C ATOM 1059 C GLN A 66 -8.705 -9.047 -11.147 1.00 0.00 C ATOM 1060 O GLN A 66 -8.651 -9.806 -12.115 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.436 -9.461 -9.389 1.00 0.00 C ATOM 1062 CG GLN A 66 -11.365 -10.223 -10.319 1.00 0.00 C ATOM 1063 CD GLN A 66 -11.129 -11.722 -10.271 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -10.993 -12.310 -9.195 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -11.079 -12.349 -11.442 1.00 0.00 N ATOM 0 H GLN A 66 -8.617 -8.157 -8.249 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.672 -10.641 -9.730 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.586 -9.819 -8.370 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.712 -8.407 -9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.399 -10.012 -10.048 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.224 -9.868 -11.340 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.197 -11.823 -12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.923 -13.356 -11.475 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.554 -7.731 -11.252 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.522 -7.064 -12.547 1.00 0.00 C ATOM 1076 C TYR A 67 -7.206 -6.327 -12.754 1.00 0.00 C ATOM 1077 O TYR A 67 -6.566 -6.461 -13.798 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.698 -6.094 -12.678 1.00 0.00 C ATOM 1079 CG TYR A 67 -11.053 -6.764 -12.601 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.502 -7.545 -13.657 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.846 -6.598 -11.476 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.739 -8.155 -13.587 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -13.083 -7.209 -11.406 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.530 -7.986 -12.456 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.762 -8.594 -12.385 1.00 0.00 O ATOM 0 H TYR A 67 -8.452 -7.105 -10.453 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.607 -7.828 -13.319 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.628 -5.344 -11.890 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.617 -5.566 -13.628 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.884 -7.676 -14.533 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.497 -5.991 -10.654 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -13.091 -8.762 -14.408 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.701 -7.079 -10.530 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.186 -8.376 -11.529 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.805 -5.547 -11.755 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.517 -4.865 -11.785 1.00 0.00 C ATOM 1097 C GLY A 68 -5.628 -3.455 -11.222 1.00 0.00 C ATOM 1098 O GLY A 68 -6.701 -3.029 -10.793 1.00 0.00 O ATOM 0 H GLY A 68 -7.355 -5.372 -10.914 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.788 -5.434 -11.208 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.149 -4.822 -12.810 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.512 -2.732 -11.225 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.457 -1.406 -10.623 1.00 0.00 C ATOM 1104 C LEU A 69 -5.400 -0.440 -11.329 1.00 0.00 C ATOM 1105 O LEU A 69 -6.193 0.248 -10.688 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.024 -0.861 -10.673 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.843 0.580 -10.176 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.321 0.684 -8.735 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.379 0.979 -10.297 1.00 0.00 C ATOM 0 H LEU A 69 -3.633 -3.044 -11.638 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.774 -1.497 -9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.385 -1.514 -10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.669 -0.919 -11.702 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.437 1.262 -10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.192 1.707 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.375 0.411 -8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.738 0.008 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.250 2.002 -9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.768 0.308 -9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.069 0.913 -11.340 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.308 -0.395 -12.653 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.093 0.546 -13.444 1.00 0.00 C ATOM 1123 C GLU A 70 -7.586 0.301 -13.270 1.00 0.00 C ATOM 1124 O GLU A 70 -8.389 1.233 -13.324 1.00 0.00 O ATOM 1125 CB GLU A 70 -5.719 0.441 -14.923 1.00 0.00 C ATOM 1126 CG GLU A 70 -4.337 0.986 -15.265 1.00 0.00 C ATOM 1127 CD GLU A 70 -4.200 2.455 -14.972 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.007 3.214 -15.453 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -3.288 2.817 -14.268 1.00 0.00 O ATOM 0 H GLU A 70 -4.697 -1.000 -13.202 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.866 1.551 -13.087 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.768 -0.606 -15.224 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.463 0.977 -15.512 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.585 0.436 -14.700 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.134 0.810 -16.321 1.00 0.00 H new ATOM 1136 N ALA A 71 -7.954 -0.958 -13.062 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.328 -1.310 -12.725 1.00 0.00 C ATOM 1138 C ALA A 71 -9.725 -0.746 -11.366 1.00 0.00 C ATOM 1139 O ALA A 71 -10.807 -0.184 -11.210 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.508 -2.821 -12.744 1.00 0.00 C ATOM 0 H ALA A 71 -7.318 -1.754 -13.121 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.982 -0.868 -13.477 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.539 -3.068 -12.490 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.278 -3.202 -13.739 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.836 -3.277 -12.016 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.840 -0.902 -10.387 1.00 0.00 N ATOM 1147 CA ALA A 72 -9.071 -0.360 -9.054 1.00 0.00 C ATOM 1148 C ALA A 72 -9.162 1.160 -9.085 1.00 0.00 C ATOM 1149 O ALA A 72 -9.926 1.762 -8.329 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.970 -0.805 -8.102 1.00 0.00 C ATOM 0 H ALA A 72 -7.956 -1.400 -10.492 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.025 -0.747 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.157 -0.392 -7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.956 -1.893 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.007 -0.449 -8.468 1.00 0.00 H new