USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 ASN : amide:sc= -0.0116 K(o=-0.012,f=-3.1!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc=-0.00272 X(o=-0.0027,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= 0.0275 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0151 K(o=-0.015,f=-1.3!) USER MOD Single : A 14 MET CE :methyl 153:sc= -0.0409 (180deg=-0.478) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -41:sc= 0.528 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.295 K(o=-0.29,f=-1.3) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.0438 F(o=-0.59,f=-0.044) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= -0.0131 (180deg=-0.164) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -34:sc= 1.01 USER MOD Single : A 50 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.026) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.285 9.937 1.969 1.00 3.54 N ATOM 2 CA PRO A 1 3.698 10.606 0.732 1.00 1.51 C ATOM 3 C PRO A 1 5.046 11.305 0.873 1.00 64.43 C ATOM 4 O PRO A 1 5.739 11.543 -0.117 1.00 55.41 O ATOM 5 CB PRO A 1 2.587 11.632 0.496 1.00 52.33 C ATOM 6 CG PRO A 1 2.024 11.900 1.849 1.00 60.31 C ATOM 7 CD PRO A 1 2.140 10.607 2.608 1.00 10.14 C ATOM 0 H2 PRO A 1 4.070 9.914 2.620 1.00 3.54 H new ATOM 0 H3 PRO A 1 3.039 8.968 1.764 1.00 3.54 H new ATOM 0 HA PRO A 1 3.828 9.901 -0.089 1.00 1.51 H new ATOM 0 HB2 PRO A 1 2.979 12.543 0.043 1.00 52.33 H new ATOM 0 HB3 PRO A 1 1.825 11.242 -0.179 1.00 52.33 H new ATOM 0 HG2 PRO A 1 2.573 12.697 2.350 1.00 60.31 H new ATOM 0 HG3 PRO A 1 0.985 12.222 1.783 1.00 60.31 H new ATOM 0 HD2 PRO A 1 2.317 10.779 3.670 1.00 10.14 H new ATOM 0 HD3 PRO A 1 1.231 10.011 2.528 1.00 10.14 H new ATOM 15 N ARG A 2 5.414 11.629 2.108 1.00 13.10 N ATOM 16 CA ARG A 2 6.679 12.301 2.377 1.00 23.33 C ATOM 17 C ARG A 2 7.859 11.390 2.049 1.00 33.34 C ATOM 18 O ARG A 2 8.658 11.687 1.163 1.00 54.44 O ATOM 19 CB ARG A 2 6.749 12.735 3.842 1.00 12.44 C ATOM 20 CG ARG A 2 5.756 13.829 4.201 1.00 41.10 C ATOM 21 CD ARG A 2 5.619 13.985 5.707 1.00 32.24 C ATOM 22 NE ARG A 2 5.171 15.324 6.081 1.00 63.13 N ATOM 23 CZ ARG A 2 4.652 15.621 7.267 1.00 43.32 C ATOM 24 NH1 ARG A 2 4.517 14.679 8.190 1.00 53.22 N ATOM 25 NH2 ARG A 2 4.268 16.863 7.532 1.00 43.54 N ATOM 0 H ARG A 2 4.854 11.437 2.938 1.00 13.10 H new ATOM 0 HA ARG A 2 6.735 13.184 1.740 1.00 23.33 H new ATOM 0 HB2 ARG A 2 6.568 11.868 4.478 1.00 12.44 H new ATOM 0 HB3 ARG A 2 7.758 13.085 4.061 1.00 12.44 H new ATOM 0 HG2 ARG A 2 6.080 14.774 3.764 1.00 41.10 H new ATOM 0 HG3 ARG A 2 4.783 13.595 3.768 1.00 41.10 H new ATOM 0 HD2 ARG A 2 4.911 13.247 6.085 1.00 32.24 H new ATOM 0 HD3 ARG A 2 6.578 13.778 6.181 1.00 32.24 H new ATOM 0 HE ARG A 2 5.262 16.072 5.394 1.00 63.13 H new ATOM 0 HH11 ARG A 2 4.812 13.723 7.990 1.00 53.22 H new ATOM 0 HH12 ARG A 2 4.118 14.910 9.100 1.00 53.22 H new ATOM 0 HH21 ARG A 2 4.371 17.591 6.825 1.00 43.54 H new ATOM 0 HH22 ARG A 2 3.870 17.090 8.443 1.00 43.54 H new ATOM 39 N ASN A 3 7.961 10.279 2.772 1.00 74.10 N ATOM 40 CA ASN A 3 9.043 9.325 2.559 1.00 71.14 C ATOM 41 C ASN A 3 8.497 7.976 2.100 1.00 53.21 C ATOM 42 O ASN A 3 8.332 7.055 2.900 1.00 22.05 O ATOM 43 CB ASN A 3 9.856 9.148 3.843 1.00 53.51 C ATOM 44 CG ASN A 3 10.748 10.341 4.131 1.00 35.30 C ATOM 45 OD1 ASN A 3 10.352 11.489 3.930 1.00 34.04 O ATOM 46 ND2 ASN A 3 11.959 10.072 4.604 1.00 40.41 N ATOM 0 H ASN A 3 7.307 10.018 3.510 1.00 74.10 H new ATOM 0 HA ASN A 3 9.692 9.720 1.777 1.00 71.14 H new ATOM 0 HB2 ASN A 3 9.177 8.995 4.682 1.00 53.51 H new ATOM 0 HB3 ASN A 3 10.469 8.251 3.761 1.00 53.51 H new ATOM 0 HD21 ASN A 3 12.604 10.833 4.816 1.00 40.41 H new ATOM 0 HD22 ASN A 3 12.244 9.104 4.755 1.00 40.41 H new ATOM 53 N THR A 4 8.217 7.866 0.805 1.00 43.53 N ATOM 54 CA THR A 4 7.689 6.632 0.239 1.00 64.43 C ATOM 55 C THR A 4 8.798 5.607 0.025 1.00 35.11 C ATOM 56 O THR A 4 8.532 4.414 -0.126 1.00 2.22 O ATOM 57 CB THR A 4 6.977 6.888 -1.103 1.00 3.01 C ATOM 58 OG1 THR A 4 7.907 7.411 -2.059 1.00 34.32 O ATOM 59 CG2 THR A 4 5.823 7.863 -0.925 1.00 72.42 C ATOM 0 H THR A 4 8.348 8.618 0.128 1.00 43.53 H new ATOM 0 HA THR A 4 6.967 6.239 0.955 1.00 64.43 H new ATOM 0 HB THR A 4 6.579 5.940 -1.465 1.00 3.01 H new ATOM 0 HG1 THR A 4 7.447 7.569 -2.910 1.00 34.32 H new ATOM 0 HG21 THR A 4 5.335 8.029 -1.886 1.00 72.42 H new ATOM 0 HG22 THR A 4 5.103 7.450 -0.219 1.00 72.42 H new ATOM 0 HG23 THR A 4 6.203 8.811 -0.543 1.00 72.42 H new ATOM 67 N ARG A 5 10.040 6.079 0.014 1.00 13.10 N ATOM 68 CA ARG A 5 11.188 5.203 -0.182 1.00 25.14 C ATOM 69 C ARG A 5 11.453 4.366 1.067 1.00 41.52 C ATOM 70 O ARG A 5 12.238 3.419 1.035 1.00 2.55 O ATOM 71 CB ARG A 5 12.430 6.025 -0.530 1.00 44.23 C ATOM 72 CG ARG A 5 12.744 7.115 0.482 1.00 35.21 C ATOM 73 CD ARG A 5 14.237 7.386 0.564 1.00 5.51 C ATOM 74 NE ARG A 5 14.523 8.723 1.079 1.00 63.11 N ATOM 75 CZ ARG A 5 14.451 9.826 0.342 1.00 73.53 C ATOM 76 NH1 ARG A 5 14.103 9.751 -0.936 1.00 11.35 N ATOM 77 NH2 ARG A 5 14.726 11.006 0.882 1.00 31.32 N ATOM 0 H ARG A 5 10.277 7.063 0.139 1.00 13.10 H new ATOM 0 HA ARG A 5 10.962 4.530 -1.009 1.00 25.14 H new ATOM 0 HB2 ARG A 5 13.287 5.356 -0.608 1.00 44.23 H new ATOM 0 HB3 ARG A 5 12.290 6.481 -1.510 1.00 44.23 H new ATOM 0 HG2 ARG A 5 12.222 8.031 0.206 1.00 35.21 H new ATOM 0 HG3 ARG A 5 12.372 6.820 1.463 1.00 35.21 H new ATOM 0 HD2 ARG A 5 14.706 6.642 1.208 1.00 5.51 H new ATOM 0 HD3 ARG A 5 14.680 7.276 -0.426 1.00 5.51 H new ATOM 0 HE ARG A 5 14.793 8.815 2.058 1.00 63.11 H new ATOM 0 HH11 ARG A 5 13.890 8.845 -1.354 1.00 11.35 H new ATOM 0 HH12 ARG A 5 14.048 10.599 -1.500 1.00 11.35 H new ATOM 0 HH21 ARG A 5 14.993 11.067 1.864 1.00 31.32 H new ATOM 0 HH22 ARG A 5 14.670 11.852 0.315 1.00 31.32 H new ATOM 91 N GLU A 6 10.793 4.724 2.164 1.00 53.23 N ATOM 92 CA GLU A 6 10.958 4.007 3.422 1.00 24.04 C ATOM 93 C GLU A 6 10.284 2.639 3.362 1.00 10.42 C ATOM 94 O GLU A 6 10.449 1.813 4.260 1.00 50.21 O ATOM 95 CB GLU A 6 10.379 4.823 4.580 1.00 22.10 C ATOM 96 CG GLU A 6 8.861 4.802 4.640 1.00 61.12 C ATOM 97 CD GLU A 6 8.294 5.935 5.473 1.00 24.35 C ATOM 98 OE1 GLU A 6 9.045 6.890 5.763 1.00 11.04 O ATOM 99 OE2 GLU A 6 7.102 5.866 5.836 1.00 14.11 O ATOM 0 H GLU A 6 10.139 5.506 2.206 1.00 53.23 H new ATOM 0 HA GLU A 6 12.025 3.860 3.589 1.00 24.04 H new ATOM 0 HB2 GLU A 6 10.777 4.438 5.519 1.00 22.10 H new ATOM 0 HB3 GLU A 6 10.716 5.856 4.490 1.00 22.10 H new ATOM 0 HG2 GLU A 6 8.460 4.864 3.628 1.00 61.12 H new ATOM 0 HG3 GLU A 6 8.531 3.850 5.056 1.00 61.12 H new ATOM 106 N VAL A 7 9.523 2.408 2.297 1.00 33.13 N ATOM 107 CA VAL A 7 8.823 1.141 2.118 1.00 1.25 C ATOM 108 C VAL A 7 9.770 -0.040 2.300 1.00 12.24 C ATOM 109 O VAL A 7 9.360 -1.116 2.735 1.00 22.42 O ATOM 110 CB VAL A 7 8.170 1.052 0.726 1.00 5.22 C ATOM 111 CG1 VAL A 7 7.028 2.050 0.607 1.00 63.41 C ATOM 112 CG2 VAL A 7 9.207 1.283 -0.363 1.00 52.13 C ATOM 0 H VAL A 7 9.375 3.081 1.545 1.00 33.13 H new ATOM 0 HA VAL A 7 8.044 1.099 2.879 1.00 1.25 H new ATOM 0 HB VAL A 7 7.759 0.050 0.599 1.00 5.22 H new ATOM 0 HG11 VAL A 7 6.579 1.973 -0.383 1.00 63.41 H new ATOM 0 HG12 VAL A 7 6.275 1.834 1.365 1.00 63.41 H new ATOM 0 HG13 VAL A 7 7.411 3.060 0.754 1.00 63.41 H new ATOM 0 HG21 VAL A 7 8.729 1.217 -1.340 1.00 52.13 H new ATOM 0 HG22 VAL A 7 9.648 2.272 -0.241 1.00 52.13 H new ATOM 0 HG23 VAL A 7 9.988 0.526 -0.289 1.00 52.13 H new ATOM 122 N PHE A 8 11.039 0.169 1.965 1.00 34.12 N ATOM 123 CA PHE A 8 12.045 -0.879 2.091 1.00 50.00 C ATOM 124 C PHE A 8 12.024 -1.488 3.490 1.00 72.22 C ATOM 125 O PHE A 8 12.333 -2.666 3.670 1.00 14.32 O ATOM 126 CB PHE A 8 13.436 -0.319 1.787 1.00 0.45 C ATOM 127 CG PHE A 8 14.041 0.438 2.935 1.00 0.12 C ATOM 128 CD1 PHE A 8 13.507 1.650 3.342 1.00 53.03 C ATOM 129 CD2 PHE A 8 15.144 -0.062 3.607 1.00 25.53 C ATOM 130 CE1 PHE A 8 14.061 2.349 4.398 1.00 73.22 C ATOM 131 CE2 PHE A 8 15.702 0.631 4.664 1.00 5.53 C ATOM 132 CZ PHE A 8 15.161 1.839 5.059 1.00 12.13 C ATOM 0 H PHE A 8 11.395 1.054 1.604 1.00 34.12 H new ATOM 0 HA PHE A 8 11.810 -1.662 1.370 1.00 50.00 H new ATOM 0 HB2 PHE A 8 14.098 -1.141 1.515 1.00 0.45 H new ATOM 0 HB3 PHE A 8 13.373 0.340 0.921 1.00 0.45 H new ATOM 0 HD1 PHE A 8 12.647 2.054 2.828 1.00 53.03 H new ATOM 0 HD2 PHE A 8 15.573 -1.005 3.301 1.00 25.53 H new ATOM 0 HE1 PHE A 8 13.634 3.292 4.706 1.00 73.22 H new ATOM 0 HE2 PHE A 8 16.561 0.229 5.181 1.00 5.53 H new ATOM 0 HZ PHE A 8 15.597 2.384 5.883 1.00 12.13 H new ATOM 142 N ALA A 9 11.658 -0.677 4.477 1.00 53.24 N ATOM 143 CA ALA A 9 11.595 -1.135 5.859 1.00 74.12 C ATOM 144 C ALA A 9 10.730 -2.385 5.984 1.00 62.12 C ATOM 145 O ALA A 9 10.940 -3.208 6.874 1.00 33.32 O ATOM 146 CB ALA A 9 11.060 -0.030 6.757 1.00 4.45 C ATOM 0 H ALA A 9 11.401 0.301 4.345 1.00 53.24 H new ATOM 0 HA ALA A 9 12.606 -1.390 6.178 1.00 74.12 H new ATOM 0 HB1 ALA A 9 11.018 -0.386 7.786 1.00 4.45 H new ATOM 0 HB2 ALA A 9 11.718 0.837 6.699 1.00 4.45 H new ATOM 0 HB3 ALA A 9 10.059 0.252 6.430 1.00 4.45 H new ATOM 152 N GLN A 10 9.759 -2.519 5.087 1.00 72.43 N ATOM 153 CA GLN A 10 8.862 -3.669 5.099 1.00 61.13 C ATOM 154 C GLN A 10 9.526 -4.884 4.458 1.00 12.25 C ATOM 155 O GLN A 10 9.264 -6.023 4.845 1.00 40.01 O ATOM 156 CB GLN A 10 7.562 -3.337 4.364 1.00 45.44 C ATOM 157 CG GLN A 10 6.531 -2.639 5.236 1.00 4.00 C ATOM 158 CD GLN A 10 5.204 -2.446 4.530 1.00 41.33 C ATOM 159 OE1 GLN A 10 4.786 -1.318 4.267 1.00 41.41 O ATOM 160 NE2 GLN A 10 4.533 -3.548 4.218 1.00 61.33 N ATOM 0 H GLN A 10 9.573 -1.846 4.343 1.00 72.43 H new ATOM 0 HA GLN A 10 8.633 -3.908 6.138 1.00 61.13 H new ATOM 0 HB2 GLN A 10 7.790 -2.703 3.508 1.00 45.44 H new ATOM 0 HB3 GLN A 10 7.130 -4.258 3.972 1.00 45.44 H new ATOM 0 HG2 GLN A 10 6.374 -3.222 6.144 1.00 4.00 H new ATOM 0 HG3 GLN A 10 6.919 -1.668 5.544 1.00 4.00 H new ATOM 0 HE21 GLN A 10 4.917 -4.463 4.455 1.00 61.33 H new ATOM 0 HE22 GLN A 10 3.634 -3.480 3.741 1.00 61.33 H new ATOM 169 N VAL A 11 10.386 -4.633 3.477 1.00 63.12 N ATOM 170 CA VAL A 11 11.088 -5.706 2.783 1.00 25.20 C ATOM 171 C VAL A 11 11.933 -6.527 3.752 1.00 54.23 C ATOM 172 O VAL A 11 12.185 -7.710 3.524 1.00 34.34 O ATOM 173 CB VAL A 11 11.997 -5.154 1.669 1.00 51.14 C ATOM 174 CG1 VAL A 11 12.742 -6.285 0.977 1.00 21.30 C ATOM 175 CG2 VAL A 11 11.182 -4.350 0.667 1.00 73.45 C ATOM 0 H VAL A 11 10.614 -3.696 3.145 1.00 63.12 H new ATOM 0 HA VAL A 11 10.326 -6.345 2.337 1.00 25.20 H new ATOM 0 HB VAL A 11 12.734 -4.490 2.121 1.00 51.14 H new ATOM 0 HG11 VAL A 11 13.379 -5.875 0.193 1.00 21.30 H new ATOM 0 HG12 VAL A 11 13.357 -6.814 1.705 1.00 21.30 H new ATOM 0 HG13 VAL A 11 12.025 -6.977 0.536 1.00 21.30 H new ATOM 0 HG21 VAL A 11 11.840 -3.967 -0.113 1.00 73.45 H new ATOM 0 HG22 VAL A 11 10.422 -4.990 0.219 1.00 73.45 H new ATOM 0 HG23 VAL A 11 10.700 -3.516 1.176 1.00 73.45 H new ATOM 185 N LYS A 12 12.367 -5.891 4.834 1.00 2.23 N ATOM 186 CA LYS A 12 13.182 -6.561 5.841 1.00 61.05 C ATOM 187 C LYS A 12 12.370 -7.617 6.583 1.00 12.14 C ATOM 188 O LYS A 12 12.922 -8.591 7.093 1.00 31.43 O ATOM 189 CB LYS A 12 13.743 -5.541 6.834 1.00 31.23 C ATOM 190 CG LYS A 12 14.831 -4.657 6.250 1.00 53.12 C ATOM 191 CD LYS A 12 15.062 -3.420 7.102 1.00 74.04 C ATOM 192 CE LYS A 12 16.484 -2.902 6.958 1.00 44.11 C ATOM 193 NZ LYS A 12 16.628 -1.520 7.494 1.00 23.23 N ATOM 0 H LYS A 12 12.168 -4.911 5.037 1.00 2.23 H new ATOM 0 HA LYS A 12 14.009 -7.056 5.333 1.00 61.05 H new ATOM 0 HB2 LYS A 12 12.929 -4.911 7.194 1.00 31.23 H new ATOM 0 HB3 LYS A 12 14.142 -6.071 7.699 1.00 31.23 H new ATOM 0 HG2 LYS A 12 15.759 -5.224 6.171 1.00 53.12 H new ATOM 0 HG3 LYS A 12 14.554 -4.357 5.239 1.00 53.12 H new ATOM 0 HD2 LYS A 12 14.358 -2.640 6.811 1.00 74.04 H new ATOM 0 HD3 LYS A 12 14.863 -3.655 8.148 1.00 74.04 H new ATOM 0 HE2 LYS A 12 17.168 -3.568 7.483 1.00 44.11 H new ATOM 0 HE3 LYS A 12 16.771 -2.915 5.906 1.00 44.11 H new ATOM 0 HZ1 LYS A 12 17.636 -1.304 7.630 1.00 23.23 H new ATOM 0 HZ2 LYS A 12 16.216 -0.842 6.822 1.00 23.23 H new ATOM 0 HZ3 LYS A 12 16.133 -1.448 8.406 1.00 23.23 H new ATOM 207 N GLN A 13 11.057 -7.417 6.639 1.00 41.53 N ATOM 208 CA GLN A 13 10.170 -8.353 7.319 1.00 51.32 C ATOM 209 C GLN A 13 10.348 -9.766 6.773 1.00 52.31 C ATOM 210 O GLN A 13 10.162 -10.747 7.492 1.00 41.01 O ATOM 211 CB GLN A 13 8.713 -7.913 7.163 1.00 42.32 C ATOM 212 CG GLN A 13 8.416 -6.559 7.788 1.00 22.32 C ATOM 213 CD GLN A 13 7.056 -6.019 7.393 1.00 60.54 C ATOM 214 OE1 GLN A 13 6.497 -6.404 6.365 1.00 64.40 O ATOM 215 NE2 GLN A 13 6.515 -5.122 8.208 1.00 33.44 N ATOM 0 H GLN A 13 10.584 -6.615 6.222 1.00 41.53 H new ATOM 0 HA GLN A 13 10.430 -8.357 8.378 1.00 51.32 H new ATOM 0 HB2 GLN A 13 8.465 -7.877 6.102 1.00 42.32 H new ATOM 0 HB3 GLN A 13 8.065 -8.663 7.616 1.00 42.32 H new ATOM 0 HG2 GLN A 13 8.467 -6.645 8.873 1.00 22.32 H new ATOM 0 HG3 GLN A 13 9.186 -5.848 7.488 1.00 22.32 H new ATOM 0 HE21 GLN A 13 7.013 -4.831 9.049 1.00 33.44 H new ATOM 0 HE22 GLN A 13 5.601 -4.723 7.993 1.00 33.44 H new ATOM 224 N MET A 14 10.708 -9.861 5.497 1.00 4.23 N ATOM 225 CA MET A 14 10.912 -11.154 4.856 1.00 61.54 C ATOM 226 C MET A 14 12.351 -11.300 4.369 1.00 15.52 C ATOM 227 O MET A 14 12.816 -10.520 3.538 1.00 62.15 O ATOM 228 CB MET A 14 9.945 -11.324 3.682 1.00 1.33 C ATOM 229 CG MET A 14 9.857 -10.099 2.786 1.00 70.20 C ATOM 230 SD MET A 14 9.404 -10.511 1.090 1.00 14.11 S ATOM 231 CE MET A 14 10.920 -10.108 0.227 1.00 65.21 C ATOM 0 H MET A 14 10.864 -9.058 4.887 1.00 4.23 H new ATOM 0 HA MET A 14 10.717 -11.931 5.595 1.00 61.54 H new ATOM 0 HB2 MET A 14 10.259 -12.180 3.084 1.00 1.33 H new ATOM 0 HB3 MET A 14 8.952 -11.553 4.070 1.00 1.33 H new ATOM 0 HG2 MET A 14 9.123 -9.406 3.196 1.00 70.20 H new ATOM 0 HG3 MET A 14 10.817 -9.583 2.787 1.00 70.20 H new ATOM 0 HE1 MET A 14 10.997 -10.715 -0.675 1.00 65.21 H new ATOM 0 HE2 MET A 14 10.914 -9.052 -0.045 1.00 65.21 H new ATOM 0 HE3 MET A 14 11.773 -10.311 0.875 1.00 65.21 H new ATOM 241 N TYR A 15 13.049 -12.301 4.893 1.00 41.33 N ATOM 242 CA TYR A 15 14.436 -12.546 4.513 1.00 15.44 C ATOM 243 C TYR A 15 14.613 -13.965 3.983 1.00 74.02 C ATOM 244 O TYR A 15 15.008 -14.871 4.717 1.00 12.21 O ATOM 245 CB TYR A 15 15.361 -12.317 5.709 1.00 24.24 C ATOM 246 CG TYR A 15 16.739 -11.827 5.324 1.00 53.20 C ATOM 247 CD1 TYR A 15 17.440 -12.416 4.279 1.00 54.45 C ATOM 248 CD2 TYR A 15 17.340 -10.776 6.005 1.00 14.34 C ATOM 249 CE1 TYR A 15 18.699 -11.971 3.923 1.00 34.51 C ATOM 250 CE2 TYR A 15 18.597 -10.324 5.656 1.00 64.10 C ATOM 251 CZ TYR A 15 19.273 -10.925 4.614 1.00 30.25 C ATOM 252 OH TYR A 15 20.527 -10.479 4.264 1.00 32.22 O ATOM 0 H TYR A 15 12.678 -12.956 5.582 1.00 41.33 H new ATOM 0 HA TYR A 15 14.698 -11.846 3.719 1.00 15.44 H new ATOM 0 HB2 TYR A 15 14.901 -11.591 6.380 1.00 24.24 H new ATOM 0 HB3 TYR A 15 15.458 -13.249 6.266 1.00 24.24 H new ATOM 0 HD1 TYR A 15 16.993 -13.236 3.736 1.00 54.45 H new ATOM 0 HD2 TYR A 15 16.815 -10.304 6.822 1.00 14.34 H new ATOM 0 HE1 TYR A 15 19.230 -12.440 3.108 1.00 34.51 H new ATOM 0 HE2 TYR A 15 19.049 -9.505 6.196 1.00 64.10 H new ATOM 0 HH TYR A 15 20.785 -9.736 4.849 1.00 32.22 H new ATOM 262 N LYS A 16 14.317 -14.151 2.701 1.00 65.33 N ATOM 263 CA LYS A 16 14.445 -15.459 2.068 1.00 51.31 C ATOM 264 C LYS A 16 15.877 -15.974 2.168 1.00 70.24 C ATOM 265 O LYS A 16 16.687 -15.767 1.264 1.00 62.25 O ATOM 266 CB LYS A 16 14.021 -15.381 0.600 1.00 54.14 C ATOM 267 CG LYS A 16 14.657 -14.228 -0.157 1.00 54.31 C ATOM 268 CD LYS A 16 13.634 -13.160 -0.508 1.00 4.43 C ATOM 269 CE LYS A 16 14.265 -11.776 -0.546 1.00 51.12 C ATOM 270 NZ LYS A 16 15.121 -11.590 -1.750 1.00 41.13 N ATOM 0 H LYS A 16 13.987 -13.413 2.080 1.00 65.33 H new ATOM 0 HA LYS A 16 13.790 -16.155 2.593 1.00 51.31 H new ATOM 0 HB2 LYS A 16 14.281 -16.317 0.105 1.00 54.14 H new ATOM 0 HB3 LYS A 16 12.937 -15.284 0.549 1.00 54.14 H new ATOM 0 HG2 LYS A 16 15.451 -13.788 0.447 1.00 54.31 H new ATOM 0 HG3 LYS A 16 15.121 -14.602 -1.069 1.00 54.31 H new ATOM 0 HD2 LYS A 16 13.189 -13.385 -1.477 1.00 4.43 H new ATOM 0 HD3 LYS A 16 12.827 -13.173 0.224 1.00 4.43 H new ATOM 0 HE2 LYS A 16 13.481 -11.019 -0.537 1.00 51.12 H new ATOM 0 HE3 LYS A 16 14.864 -11.625 0.352 1.00 51.12 H new ATOM 0 HZ1 LYS A 16 15.533 -10.635 -1.739 1.00 41.13 H new ATOM 0 HZ2 LYS A 16 15.885 -12.296 -1.746 1.00 41.13 H new ATOM 0 HZ3 LYS A 16 14.545 -11.709 -2.607 1.00 41.13 H new ATOM 284 N THR A 17 16.183 -16.648 3.272 1.00 61.42 N ATOM 285 CA THR A 17 17.517 -17.194 3.489 1.00 10.23 C ATOM 286 C THR A 17 17.454 -18.512 4.253 1.00 44.40 C ATOM 287 O THR A 17 18.248 -18.771 5.158 1.00 42.14 O ATOM 288 CB THR A 17 18.408 -16.206 4.265 1.00 3.21 C ATOM 289 OG1 THR A 17 17.657 -15.590 5.317 1.00 31.22 O ATOM 290 CG2 THR A 17 18.963 -15.135 3.338 1.00 5.00 C ATOM 0 H THR A 17 15.525 -16.829 4.030 1.00 61.42 H new ATOM 0 HA THR A 17 17.952 -17.368 2.505 1.00 10.23 H new ATOM 0 HB THR A 17 19.242 -16.763 4.693 1.00 3.21 H new ATOM 0 HG1 THR A 17 16.760 -15.368 4.992 1.00 31.22 H new ATOM 0 HG21 THR A 17 19.589 -14.449 3.908 1.00 5.00 H new ATOM 0 HG22 THR A 17 19.559 -15.604 2.555 1.00 5.00 H new ATOM 0 HG23 THR A 17 18.139 -14.583 2.885 1.00 5.00 H new ATOM 298 N PRO A 18 16.489 -19.366 3.882 1.00 23.11 N ATOM 299 CA PRO A 18 16.301 -20.673 4.519 1.00 2.24 C ATOM 300 C PRO A 18 17.427 -21.647 4.188 1.00 54.21 C ATOM 301 O PRO A 18 17.943 -21.658 3.070 1.00 25.21 O ATOM 302 CB PRO A 18 14.977 -21.166 3.932 1.00 34.42 C ATOM 303 CG PRO A 18 14.858 -20.466 2.623 1.00 41.41 C ATOM 304 CD PRO A 18 15.508 -19.123 2.812 1.00 52.33 C ATOM 0 HA PRO A 18 16.300 -20.600 5.607 1.00 2.24 H new ATOM 0 HB2 PRO A 18 14.980 -22.248 3.803 1.00 34.42 H new ATOM 0 HB3 PRO A 18 14.140 -20.925 4.587 1.00 34.42 H new ATOM 0 HG2 PRO A 18 15.351 -21.031 1.832 1.00 41.41 H new ATOM 0 HG3 PRO A 18 13.813 -20.357 2.332 1.00 41.41 H new ATOM 0 HD2 PRO A 18 15.989 -18.777 1.897 1.00 52.33 H new ATOM 0 HD3 PRO A 18 14.782 -18.362 3.098 1.00 52.33 H new ATOM 312 N THR A 19 17.803 -22.465 5.166 1.00 12.43 N ATOM 313 CA THR A 19 18.868 -23.442 4.979 1.00 55.14 C ATOM 314 C THR A 19 18.413 -24.836 5.395 1.00 65.44 C ATOM 315 O THR A 19 17.600 -24.989 6.307 1.00 72.34 O ATOM 316 CB THR A 19 20.126 -23.063 5.782 1.00 31.11 C ATOM 317 OG1 THR A 19 19.767 -22.734 7.129 1.00 54.45 O ATOM 318 CG2 THR A 19 20.843 -21.885 5.141 1.00 63.04 C ATOM 0 H THR A 19 17.385 -22.470 6.096 1.00 12.43 H new ATOM 0 HA THR A 19 19.112 -23.444 3.917 1.00 55.14 H new ATOM 0 HB THR A 19 20.800 -23.920 5.785 1.00 31.11 H new ATOM 0 HG1 THR A 19 20.573 -22.496 7.633 1.00 54.45 H new ATOM 0 HG21 THR A 19 21.728 -21.636 5.726 1.00 63.04 H new ATOM 0 HG22 THR A 19 21.141 -22.149 4.126 1.00 63.04 H new ATOM 0 HG23 THR A 19 20.174 -21.025 5.111 1.00 63.04 H new ATOM 326 N LEU A 20 18.944 -25.851 4.722 1.00 62.42 N ATOM 327 CA LEU A 20 18.594 -27.235 5.022 1.00 32.25 C ATOM 328 C LEU A 20 19.698 -28.187 4.572 1.00 12.33 C ATOM 329 O LEU A 20 19.442 -29.351 4.264 1.00 53.35 O ATOM 330 CB LEU A 20 17.275 -27.608 4.342 1.00 2.52 C ATOM 331 CG LEU A 20 17.066 -27.051 2.933 1.00 24.13 C ATOM 332 CD1 LEU A 20 16.657 -25.588 2.993 1.00 43.44 C ATOM 333 CD2 LEU A 20 18.329 -27.221 2.100 1.00 14.34 C ATOM 0 H LEU A 20 19.619 -25.742 3.965 1.00 62.42 H new ATOM 0 HA LEU A 20 18.478 -27.328 6.102 1.00 32.25 H new ATOM 0 HB2 LEU A 20 17.208 -28.695 4.295 1.00 2.52 H new ATOM 0 HB3 LEU A 20 16.455 -27.265 4.972 1.00 2.52 H new ATOM 0 HG LEU A 20 16.262 -27.612 2.456 1.00 24.13 H new ATOM 0 HD11 LEU A 20 16.513 -25.209 1.981 1.00 43.44 H new ATOM 0 HD12 LEU A 20 15.726 -25.493 3.552 1.00 43.44 H new ATOM 0 HD13 LEU A 20 17.438 -25.012 3.489 1.00 43.44 H new ATOM 0 HD21 LEU A 20 18.162 -26.819 1.100 1.00 14.34 H new ATOM 0 HD22 LEU A 20 19.152 -26.686 2.574 1.00 14.34 H new ATOM 0 HD23 LEU A 20 18.578 -28.280 2.029 1.00 14.34 H new ATOM 345 N LYS A 21 20.927 -27.684 4.539 1.00 24.43 N ATOM 346 CA LYS A 21 22.073 -28.489 4.131 1.00 75.32 C ATOM 347 C LYS A 21 22.242 -29.698 5.046 1.00 45.40 C ATOM 348 O LYS A 21 22.714 -30.751 4.618 1.00 74.53 O ATOM 349 CB LYS A 21 23.348 -27.643 4.144 1.00 55.03 C ATOM 350 CG LYS A 21 23.209 -26.324 3.404 1.00 44.32 C ATOM 351 CD LYS A 21 24.552 -25.629 3.247 1.00 33.20 C ATOM 352 CE LYS A 21 24.415 -24.119 3.363 1.00 12.22 C ATOM 353 NZ LYS A 21 24.331 -23.677 4.783 1.00 70.01 N ATOM 0 H LYS A 21 21.156 -26.722 4.790 1.00 24.43 H new ATOM 0 HA LYS A 21 21.892 -28.846 3.117 1.00 75.32 H new ATOM 0 HB2 LYS A 21 23.631 -27.442 5.177 1.00 55.03 H new ATOM 0 HB3 LYS A 21 24.160 -28.217 3.697 1.00 55.03 H new ATOM 0 HG2 LYS A 21 22.773 -26.501 2.421 1.00 44.32 H new ATOM 0 HG3 LYS A 21 22.522 -25.673 3.945 1.00 44.32 H new ATOM 0 HD2 LYS A 21 25.242 -25.992 4.008 1.00 33.20 H new ATOM 0 HD3 LYS A 21 24.983 -25.883 2.279 1.00 33.20 H new ATOM 0 HE2 LYS A 21 25.268 -23.639 2.883 1.00 12.22 H new ATOM 0 HE3 LYS A 21 23.523 -23.793 2.828 1.00 12.22 H new ATOM 0 HZ1 LYS A 21 24.238 -22.642 4.819 1.00 70.01 H new ATOM 0 HZ2 LYS A 21 23.503 -24.115 5.234 1.00 70.01 H new ATOM 0 HZ3 LYS A 21 25.193 -23.965 5.288 1.00 70.01 H new ATOM 367 N TYR A 22 21.855 -29.538 6.306 1.00 31.35 N ATOM 368 CA TYR A 22 21.965 -30.616 7.282 1.00 24.21 C ATOM 369 C TYR A 22 21.202 -31.852 6.817 1.00 33.41 C ATOM 370 O TYR A 22 21.540 -32.979 7.181 1.00 42.14 O ATOM 371 CB TYR A 22 21.436 -30.158 8.642 1.00 2.30 C ATOM 372 CG TYR A 22 19.946 -29.901 8.657 1.00 62.03 C ATOM 373 CD1 TYR A 22 19.045 -30.937 8.872 1.00 3.21 C ATOM 374 CD2 TYR A 22 19.439 -28.623 8.454 1.00 22.54 C ATOM 375 CE1 TYR A 22 17.683 -30.707 8.886 1.00 60.43 C ATOM 376 CE2 TYR A 22 18.079 -28.385 8.468 1.00 53.52 C ATOM 377 CZ TYR A 22 17.205 -29.430 8.684 1.00 53.44 C ATOM 378 OH TYR A 22 15.849 -29.196 8.696 1.00 13.13 O ATOM 0 H TYR A 22 21.462 -28.672 6.676 1.00 31.35 H new ATOM 0 HA TYR A 22 23.019 -30.877 7.379 1.00 24.21 H new ATOM 0 HB2 TYR A 22 21.673 -30.916 9.389 1.00 2.30 H new ATOM 0 HB3 TYR A 22 21.956 -29.247 8.937 1.00 2.30 H new ATOM 0 HD1 TYR A 22 19.416 -31.939 9.031 1.00 3.21 H new ATOM 0 HD2 TYR A 22 20.120 -27.803 8.282 1.00 22.54 H new ATOM 0 HE1 TYR A 22 16.996 -31.523 9.054 1.00 60.43 H new ATOM 0 HE2 TYR A 22 17.701 -27.385 8.311 1.00 53.52 H new ATOM 0 HH TYR A 22 15.680 -28.244 8.539 1.00 13.13 H new ATOM 388 N PHE A 23 20.169 -31.633 6.010 1.00 42.12 N ATOM 389 CA PHE A 23 19.356 -32.728 5.494 1.00 52.20 C ATOM 390 C PHE A 23 19.818 -33.138 4.099 1.00 61.30 C ATOM 391 O PHE A 23 19.020 -33.582 3.274 1.00 23.02 O ATOM 392 CB PHE A 23 17.881 -32.322 5.456 1.00 41.31 C ATOM 393 CG PHE A 23 16.939 -33.490 5.400 1.00 32.02 C ATOM 394 CD1 PHE A 23 16.726 -34.279 6.519 1.00 74.01 C ATOM 395 CD2 PHE A 23 16.267 -33.800 4.229 1.00 53.53 C ATOM 396 CE1 PHE A 23 15.859 -35.355 6.471 1.00 11.32 C ATOM 397 CE2 PHE A 23 15.399 -34.874 4.175 1.00 14.51 C ATOM 398 CZ PHE A 23 15.195 -35.653 5.297 1.00 3.12 C ATOM 0 H PHE A 23 19.875 -30.707 5.699 1.00 42.12 H new ATOM 0 HA PHE A 23 19.474 -33.581 6.162 1.00 52.20 H new ATOM 0 HB2 PHE A 23 17.654 -31.725 6.339 1.00 41.31 H new ATOM 0 HB3 PHE A 23 17.710 -31.686 4.588 1.00 41.31 H new ATOM 0 HD1 PHE A 23 17.243 -34.051 7.439 1.00 74.01 H new ATOM 0 HD2 PHE A 23 16.423 -33.195 3.348 1.00 53.53 H new ATOM 0 HE1 PHE A 23 15.701 -35.962 7.350 1.00 11.32 H new ATOM 0 HE2 PHE A 23 14.881 -35.104 3.256 1.00 14.51 H new ATOM 0 HZ PHE A 23 14.518 -36.493 5.257 1.00 3.12 H new ATOM 408 N GLY A 24 21.114 -32.986 3.843 1.00 51.05 N ATOM 409 CA GLY A 24 21.661 -33.344 2.547 1.00 72.30 C ATOM 410 C GLY A 24 22.346 -34.696 2.561 1.00 62.22 C ATOM 411 O GLY A 24 22.211 -35.459 3.517 1.00 44.42 O ATOM 0 H GLY A 24 21.795 -32.622 4.510 1.00 51.05 H new ATOM 0 HA2 GLY A 24 20.860 -33.354 1.808 1.00 72.30 H new ATOM 0 HA3 GLY A 24 22.374 -32.582 2.234 1.00 72.30 H new ATOM 415 N GLY A 25 23.083 -34.995 1.495 1.00 22.53 N ATOM 416 CA GLY A 25 23.780 -36.266 1.408 1.00 13.30 C ATOM 417 C GLY A 25 24.335 -36.529 0.022 1.00 14.32 C ATOM 418 O GLY A 25 23.861 -35.961 -0.962 1.00 51.12 O ATOM 0 H GLY A 25 23.210 -34.381 0.691 1.00 22.53 H new ATOM 0 HA2 GLY A 25 24.595 -36.280 2.131 1.00 13.30 H new ATOM 0 HA3 GLY A 25 23.097 -37.071 1.681 1.00 13.30 H new ATOM 422 N PHE A 26 25.343 -37.391 -0.056 1.00 12.21 N ATOM 423 CA PHE A 26 25.965 -37.726 -1.332 1.00 1.15 C ATOM 424 C PHE A 26 25.918 -39.231 -1.581 1.00 53.52 C ATOM 425 O PHE A 26 25.653 -40.013 -0.670 1.00 22.41 O ATOM 426 CB PHE A 26 27.415 -37.238 -1.359 1.00 61.44 C ATOM 427 CG PHE A 26 27.980 -37.116 -2.746 1.00 31.22 C ATOM 428 CD1 PHE A 26 27.601 -36.072 -3.573 1.00 55.41 C ATOM 429 CD2 PHE A 26 28.890 -38.046 -3.222 1.00 32.41 C ATOM 430 CE1 PHE A 26 28.119 -35.956 -4.849 1.00 54.14 C ATOM 431 CE2 PHE A 26 29.412 -37.936 -4.497 1.00 15.31 C ATOM 432 CZ PHE A 26 29.025 -36.890 -5.312 1.00 55.01 C ATOM 0 H PHE A 26 25.747 -37.870 0.749 1.00 12.21 H new ATOM 0 HA PHE A 26 25.406 -37.227 -2.123 1.00 1.15 H new ATOM 0 HB2 PHE A 26 27.473 -36.268 -0.865 1.00 61.44 H new ATOM 0 HB3 PHE A 26 28.033 -37.927 -0.783 1.00 61.44 H new ATOM 0 HD1 PHE A 26 26.892 -35.339 -3.217 1.00 55.41 H new ATOM 0 HD2 PHE A 26 29.195 -38.866 -2.589 1.00 32.41 H new ATOM 0 HE1 PHE A 26 27.816 -35.136 -5.483 1.00 54.14 H new ATOM 0 HE2 PHE A 26 30.122 -38.667 -4.856 1.00 15.31 H new ATOM 0 HZ PHE A 26 29.430 -36.803 -6.309 1.00 55.01 H new ATOM 442 N ASN A 27 26.175 -39.627 -2.823 1.00 44.44 N ATOM 443 CA ASN A 27 26.161 -41.037 -3.194 1.00 42.14 C ATOM 444 C ASN A 27 27.581 -41.577 -3.336 1.00 2.42 C ATOM 445 O ASN A 27 28.183 -41.499 -4.407 1.00 53.42 O ATOM 446 CB ASN A 27 25.396 -41.233 -4.505 1.00 22.31 C ATOM 447 CG ASN A 27 24.751 -42.603 -4.598 1.00 42.42 C ATOM 448 OD1 ASN A 27 25.326 -43.603 -4.168 1.00 2.51 O ATOM 449 ND2 ASN A 27 23.550 -42.653 -5.163 1.00 22.53 N ATOM 0 H ASN A 27 26.395 -38.991 -3.590 1.00 44.44 H new ATOM 0 HA ASN A 27 25.658 -41.590 -2.401 1.00 42.14 H new ATOM 0 HB2 ASN A 27 24.627 -40.466 -4.592 1.00 22.31 H new ATOM 0 HB3 ASN A 27 26.078 -41.098 -5.344 1.00 22.31 H new ATOM 0 HD21 ASN A 27 23.066 -43.546 -5.255 1.00 22.53 H new ATOM 0 HD22 ASN A 27 23.111 -41.798 -5.505 1.00 22.53 H new ATOM 456 N PHE A 28 28.111 -42.125 -2.247 1.00 42.53 N ATOM 457 CA PHE A 28 29.461 -42.677 -2.249 1.00 74.21 C ATOM 458 C PHE A 28 29.479 -44.066 -2.881 1.00 52.25 C ATOM 459 O PHE A 28 30.498 -44.503 -3.416 1.00 31.14 O ATOM 460 CB PHE A 28 30.008 -42.747 -0.822 1.00 31.10 C ATOM 461 CG PHE A 28 31.508 -42.742 -0.754 1.00 64.45 C ATOM 462 CD1 PHE A 28 32.238 -41.718 -1.336 1.00 20.12 C ATOM 463 CD2 PHE A 28 32.189 -43.763 -0.110 1.00 42.11 C ATOM 464 CE1 PHE A 28 33.619 -41.710 -1.275 1.00 71.51 C ATOM 465 CE2 PHE A 28 33.570 -43.760 -0.046 1.00 33.41 C ATOM 466 CZ PHE A 28 34.286 -42.734 -0.630 1.00 54.32 C ATOM 0 H PHE A 28 27.626 -42.199 -1.352 1.00 42.53 H new ATOM 0 HA PHE A 28 30.095 -42.018 -2.842 1.00 74.21 H new ATOM 0 HB2 PHE A 28 29.624 -41.901 -0.252 1.00 31.10 H new ATOM 0 HB3 PHE A 28 29.634 -43.651 -0.342 1.00 31.10 H new ATOM 0 HD1 PHE A 28 31.722 -40.916 -1.843 1.00 20.12 H new ATOM 0 HD2 PHE A 28 31.635 -44.570 0.347 1.00 42.11 H new ATOM 0 HE1 PHE A 28 34.176 -40.905 -1.731 1.00 71.51 H new ATOM 0 HE2 PHE A 28 34.089 -44.560 0.461 1.00 33.41 H new ATOM 0 HZ PHE A 28 35.365 -42.732 -0.583 1.00 54.32 H new ATOM 476 N SER A 29 28.344 -44.754 -2.816 1.00 34.10 N ATOM 477 CA SER A 29 28.229 -46.095 -3.378 1.00 2.03 C ATOM 478 C SER A 29 28.631 -46.103 -4.850 1.00 35.44 C ATOM 479 O SER A 29 29.153 -47.096 -5.355 1.00 25.11 O ATOM 480 CB SER A 29 26.798 -46.615 -3.225 1.00 4.45 C ATOM 481 OG SER A 29 26.278 -46.305 -1.943 1.00 72.14 O ATOM 0 H SER A 29 27.491 -44.405 -2.380 1.00 34.10 H new ATOM 0 HA SER A 29 28.906 -46.751 -2.831 1.00 2.03 H new ATOM 0 HB2 SER A 29 26.164 -46.175 -3.995 1.00 4.45 H new ATOM 0 HB3 SER A 29 26.782 -47.694 -3.377 1.00 4.45 H new ATOM 0 HG SER A 29 25.362 -46.646 -1.870 1.00 72.14 H new ATOM 487 N GLN A 30 28.381 -44.990 -5.531 1.00 3.43 N ATOM 488 CA GLN A 30 28.716 -44.869 -6.945 1.00 12.42 C ATOM 489 C GLN A 30 30.223 -44.966 -7.158 1.00 72.00 C ATOM 490 O GLN A 30 30.683 -45.391 -8.218 1.00 40.22 O ATOM 491 CB GLN A 30 28.195 -43.543 -7.502 1.00 54.22 C ATOM 492 CG GLN A 30 26.680 -43.489 -7.627 1.00 5.53 C ATOM 493 CD GLN A 30 26.195 -42.219 -8.298 1.00 3.32 C ATOM 494 OE1 GLN A 30 26.629 -41.074 -7.783 1.00 52.32 O flip ATOM 495 NE2 GLN A 30 25.439 -42.266 -9.268 1.00 51.01 N flip ATOM 0 H GLN A 30 27.948 -44.159 -5.127 1.00 3.43 H new ATOM 0 HA GLN A 30 28.239 -45.692 -7.477 1.00 12.42 H new ATOM 0 HB2 GLN A 30 28.527 -42.731 -6.855 1.00 54.22 H new ATOM 0 HB3 GLN A 30 28.639 -43.371 -8.483 1.00 54.22 H new ATOM 0 HG2 GLN A 30 26.335 -44.351 -8.198 1.00 5.53 H new ATOM 0 HG3 GLN A 30 26.234 -43.564 -6.635 1.00 5.53 H new ATOM 0 HE21 GLN A 30 25.130 -43.168 -9.631 1.00 51.01 H new ATOM 0 HE22 GLN A 30 25.121 -41.403 -9.709 1.00 51.01 H new ATOM 504 N ILE A 31 30.985 -44.570 -6.145 1.00 5.32 N ATOM 505 CA ILE A 31 32.440 -44.613 -6.222 1.00 24.42 C ATOM 506 C ILE A 31 32.938 -46.041 -6.419 1.00 31.33 C ATOM 507 O ILE A 31 34.016 -46.264 -6.971 1.00 22.32 O ATOM 508 CB ILE A 31 33.089 -44.026 -4.955 1.00 1.15 C ATOM 509 CG1 ILE A 31 34.283 -43.145 -5.328 1.00 0.11 C ATOM 510 CG2 ILE A 31 33.521 -45.142 -4.015 1.00 13.44 C ATOM 511 CD1 ILE A 31 35.327 -43.861 -6.155 1.00 25.31 C ATOM 0 H ILE A 31 30.619 -44.216 -5.261 1.00 5.32 H new ATOM 0 HA ILE A 31 32.728 -44.008 -7.082 1.00 24.42 H new ATOM 0 HB ILE A 31 32.352 -43.409 -4.441 1.00 1.15 H new ATOM 0 HG12 ILE A 31 33.925 -42.277 -5.882 1.00 0.11 H new ATOM 0 HG13 ILE A 31 34.748 -42.771 -4.416 1.00 0.11 H new ATOM 0 HG21 ILE A 31 33.978 -44.711 -3.124 1.00 13.44 H new ATOM 0 HG22 ILE A 31 32.651 -45.732 -3.727 1.00 13.44 H new ATOM 0 HG23 ILE A 31 34.244 -45.783 -4.519 1.00 13.44 H new ATOM 0 HD11 ILE A 31 36.144 -43.176 -6.382 1.00 25.31 H new ATOM 0 HD12 ILE A 31 35.713 -44.713 -5.595 1.00 25.31 H new ATOM 0 HD13 ILE A 31 34.878 -44.211 -7.084 1.00 25.31 H new ATOM 523 N LEU A 32 32.145 -47.006 -5.966 1.00 12.15 N ATOM 524 CA LEU A 32 32.503 -48.414 -6.093 1.00 61.24 C ATOM 525 C LEU A 32 32.187 -48.932 -7.493 1.00 0.30 C ATOM 526 O LEU A 32 31.395 -48.348 -8.233 1.00 44.33 O ATOM 527 CB LEU A 32 31.758 -49.247 -5.049 1.00 31.20 C ATOM 528 CG LEU A 32 32.467 -49.432 -3.707 1.00 1.51 C ATOM 529 CD1 LEU A 32 32.072 -48.328 -2.738 1.00 40.43 C ATOM 530 CD2 LEU A 32 32.149 -50.799 -3.119 1.00 0.51 C ATOM 0 H LEU A 32 31.249 -46.839 -5.507 1.00 12.15 H new ATOM 0 HA LEU A 32 33.576 -48.507 -5.924 1.00 61.24 H new ATOM 0 HB2 LEU A 32 30.790 -48.781 -4.865 1.00 31.20 H new ATOM 0 HB3 LEU A 32 31.562 -50.232 -5.472 1.00 31.20 H new ATOM 0 HG LEU A 32 33.542 -49.373 -3.875 1.00 1.51 H new ATOM 0 HD11 LEU A 32 32.586 -48.476 -1.788 1.00 40.43 H new ATOM 0 HD12 LEU A 32 32.352 -47.361 -3.155 1.00 40.43 H new ATOM 0 HD13 LEU A 32 30.995 -48.355 -2.575 1.00 40.43 H new ATOM 0 HD21 LEU A 32 32.662 -50.913 -2.164 1.00 0.51 H new ATOM 0 HD22 LEU A 32 31.073 -50.888 -2.966 1.00 0.51 H new ATOM 0 HD23 LEU A 32 32.483 -51.577 -3.805 1.00 0.51 H new ATOM 542 N PRO A 33 32.818 -50.055 -7.865 1.00 71.32 N ATOM 543 CA PRO A 33 32.618 -50.678 -9.177 1.00 52.01 C ATOM 544 C PRO A 33 31.230 -51.293 -9.321 1.00 70.02 C ATOM 545 O PRO A 33 30.365 -51.104 -8.466 1.00 22.42 O ATOM 546 CB PRO A 33 33.692 -51.767 -9.220 1.00 65.24 C ATOM 547 CG PRO A 33 33.962 -52.090 -7.791 1.00 64.03 C ATOM 548 CD PRO A 33 33.775 -50.805 -7.034 1.00 12.41 C ATOM 0 HA PRO A 33 32.693 -49.954 -9.988 1.00 52.01 H new ATOM 0 HB2 PRO A 33 33.344 -52.644 -9.765 1.00 65.24 H new ATOM 0 HB3 PRO A 33 34.593 -51.415 -9.723 1.00 65.24 H new ATOM 0 HG2 PRO A 33 33.280 -52.859 -7.429 1.00 64.03 H new ATOM 0 HG3 PRO A 33 34.974 -52.475 -7.662 1.00 64.03 H new ATOM 0 HD2 PRO A 33 33.384 -50.982 -6.032 1.00 12.41 H new ATOM 0 HD3 PRO A 33 34.715 -50.266 -6.919 1.00 12.41 H new ATOM 556 N SER A 34 31.024 -52.030 -10.408 1.00 40.44 N ATOM 557 CA SER A 34 29.739 -52.670 -10.666 1.00 5.12 C ATOM 558 C SER A 34 29.851 -53.669 -11.814 1.00 13.33 C ATOM 559 O SER A 34 29.355 -53.442 -12.918 1.00 30.33 O ATOM 560 CB SER A 34 28.677 -51.618 -10.991 1.00 45.23 C ATOM 561 OG SER A 34 27.424 -52.223 -11.256 1.00 31.52 O ATOM 0 H SER A 34 31.730 -52.199 -11.124 1.00 40.44 H new ATOM 0 HA SER A 34 29.442 -53.209 -9.766 1.00 5.12 H new ATOM 0 HB2 SER A 34 28.580 -50.925 -10.156 1.00 45.23 H new ATOM 0 HB3 SER A 34 28.992 -51.034 -11.855 1.00 45.23 H new ATOM 0 HG SER A 34 26.762 -51.529 -11.459 1.00 31.52 H new ATOM 567 N PRO A 35 30.518 -54.802 -11.548 1.00 52.35 N ATOM 568 CA PRO A 35 30.710 -55.859 -12.545 1.00 42.05 C ATOM 569 C PRO A 35 29.412 -56.586 -12.878 1.00 15.23 C ATOM 570 O PRO A 35 28.332 -56.177 -12.448 1.00 52.14 O ATOM 571 CB PRO A 35 31.697 -56.812 -11.866 1.00 44.54 C ATOM 572 CG PRO A 35 31.494 -56.590 -10.407 1.00 64.32 C ATOM 573 CD PRO A 35 31.135 -55.138 -10.255 1.00 20.25 C ATOM 0 HA PRO A 35 31.065 -55.462 -13.496 1.00 42.05 H new ATOM 0 HB2 PRO A 35 31.499 -57.848 -12.140 1.00 44.54 H new ATOM 0 HB3 PRO A 35 32.724 -56.595 -12.161 1.00 44.54 H new ATOM 0 HG2 PRO A 35 30.701 -57.231 -10.022 1.00 64.32 H new ATOM 0 HG3 PRO A 35 32.398 -56.829 -9.846 1.00 64.32 H new ATOM 0 HD2 PRO A 35 30.444 -54.979 -9.427 1.00 20.25 H new ATOM 0 HD3 PRO A 35 32.015 -54.525 -10.058 1.00 20.25 H new ATOM 581 N LEU A 36 29.523 -57.665 -13.644 1.00 34.31 N ATOM 582 CA LEU A 36 28.356 -58.450 -14.034 1.00 23.35 C ATOM 583 C LEU A 36 28.776 -59.791 -14.628 1.00 41.21 C ATOM 584 O LEU A 36 29.440 -59.843 -15.663 1.00 44.54 O ATOM 585 CB LEU A 36 27.509 -57.674 -15.043 1.00 61.35 C ATOM 586 CG LEU A 36 26.017 -58.007 -15.064 1.00 13.25 C ATOM 587 CD1 LEU A 36 25.207 -56.801 -15.514 1.00 1.34 C ATOM 588 CD2 LEU A 36 25.748 -59.200 -15.969 1.00 42.23 C ATOM 0 H LEU A 36 30.409 -58.017 -14.008 1.00 34.31 H new ATOM 0 HA LEU A 36 27.761 -58.640 -13.141 1.00 23.35 H new ATOM 0 HB2 LEU A 36 27.620 -56.609 -14.838 1.00 61.35 H new ATOM 0 HB3 LEU A 36 27.914 -57.851 -16.039 1.00 61.35 H new ATOM 0 HG LEU A 36 25.709 -58.269 -14.052 1.00 13.25 H new ATOM 0 HD11 LEU A 36 24.148 -57.057 -15.523 1.00 1.34 H new ATOM 0 HD12 LEU A 36 25.375 -55.973 -14.825 1.00 1.34 H new ATOM 0 HD13 LEU A 36 25.518 -56.508 -16.517 1.00 1.34 H new ATOM 0 HD21 LEU A 36 24.681 -59.422 -15.971 1.00 42.23 H new ATOM 0 HD22 LEU A 36 26.072 -58.968 -16.983 1.00 42.23 H new ATOM 0 HD23 LEU A 36 26.298 -60.067 -15.602 1.00 42.23 H new ATOM 600 N LYS A 37 28.382 -60.874 -13.968 1.00 23.34 N ATOM 601 CA LYS A 37 28.714 -62.216 -14.431 1.00 71.34 C ATOM 602 C LYS A 37 27.929 -63.269 -13.655 1.00 63.44 C ATOM 603 O LYS A 37 28.476 -64.003 -12.832 1.00 32.43 O ATOM 604 CB LYS A 37 30.215 -62.473 -14.284 1.00 44.44 C ATOM 605 CG LYS A 37 30.745 -63.541 -15.225 1.00 20.32 C ATOM 606 CD LYS A 37 32.241 -63.395 -15.450 1.00 14.23 C ATOM 607 CE LYS A 37 33.037 -63.954 -14.281 1.00 64.52 C ATOM 608 NZ LYS A 37 32.982 -65.442 -14.234 1.00 13.23 N ATOM 0 H LYS A 37 27.832 -60.849 -13.110 1.00 23.34 H new ATOM 0 HA LYS A 37 28.441 -62.287 -15.484 1.00 71.34 H new ATOM 0 HB2 LYS A 37 30.754 -61.543 -14.464 1.00 44.44 H new ATOM 0 HB3 LYS A 37 30.425 -62.769 -13.256 1.00 44.44 H new ATOM 0 HG2 LYS A 37 30.533 -64.528 -14.813 1.00 20.32 H new ATOM 0 HG3 LYS A 37 30.225 -63.476 -16.181 1.00 20.32 H new ATOM 0 HD2 LYS A 37 32.525 -63.913 -16.366 1.00 14.23 H new ATOM 0 HD3 LYS A 37 32.488 -62.343 -15.590 1.00 14.23 H new ATOM 0 HE2 LYS A 37 34.075 -63.631 -14.361 1.00 64.52 H new ATOM 0 HE3 LYS A 37 32.647 -63.546 -13.348 1.00 64.52 H new ATOM 0 HZ1 LYS A 37 33.735 -65.798 -13.611 1.00 13.23 H new ATOM 0 HZ2 LYS A 37 32.057 -65.744 -13.867 1.00 13.23 H new ATOM 0 HZ3 LYS A 37 33.116 -65.825 -15.192 1.00 13.23 H new ATOM 622 N PRO A 38 26.618 -63.348 -13.924 1.00 35.33 N ATOM 623 CA PRO A 38 25.731 -64.310 -13.262 1.00 73.03 C ATOM 624 C PRO A 38 26.006 -65.746 -13.697 1.00 15.34 C ATOM 625 O PRO A 38 26.486 -65.990 -14.804 1.00 11.30 O ATOM 626 CB PRO A 38 24.335 -63.873 -13.713 1.00 35.12 C ATOM 627 CG PRO A 38 24.557 -63.173 -15.009 1.00 14.53 C ATOM 628 CD PRO A 38 25.899 -62.505 -14.894 1.00 1.13 C ATOM 0 HA PRO A 38 25.864 -64.310 -12.180 1.00 73.03 H new ATOM 0 HB2 PRO A 38 23.672 -64.730 -13.834 1.00 35.12 H new ATOM 0 HB3 PRO A 38 23.871 -63.212 -12.981 1.00 35.12 H new ATOM 0 HG2 PRO A 38 24.542 -63.877 -15.841 1.00 14.53 H new ATOM 0 HG3 PRO A 38 23.771 -62.441 -15.197 1.00 14.53 H new ATOM 0 HD2 PRO A 38 26.414 -62.469 -15.854 1.00 1.13 H new ATOM 0 HD3 PRO A 38 25.807 -61.477 -14.543 1.00 1.13 H new ATOM 636 N THR A 39 25.697 -66.694 -12.818 1.00 24.44 N ATOM 637 CA THR A 39 25.912 -68.106 -13.110 1.00 11.00 C ATOM 638 C THR A 39 24.743 -68.688 -13.896 1.00 61.34 C ATOM 639 O THR A 39 24.722 -69.880 -14.207 1.00 11.43 O ATOM 640 CB THR A 39 26.106 -68.924 -11.819 1.00 53.12 C ATOM 641 OG1 THR A 39 24.864 -69.028 -11.114 1.00 52.01 O ATOM 642 CG2 THR A 39 27.152 -68.279 -10.922 1.00 74.41 C ATOM 0 H THR A 39 25.297 -66.510 -11.898 1.00 24.44 H new ATOM 0 HA THR A 39 26.819 -68.170 -13.711 1.00 11.00 H new ATOM 0 HB THR A 39 26.451 -69.920 -12.095 1.00 53.12 H new ATOM 0 HG1 THR A 39 24.995 -69.551 -10.296 1.00 52.01 H new ATOM 0 HG21 THR A 39 27.272 -68.874 -10.017 1.00 74.41 H new ATOM 0 HG22 THR A 39 28.104 -68.228 -11.451 1.00 74.41 H new ATOM 0 HG23 THR A 39 26.831 -67.272 -10.655 1.00 74.41 H new ATOM 650 N LYS A 40 23.771 -67.841 -14.217 1.00 42.02 N ATOM 651 CA LYS A 40 22.599 -68.270 -14.970 1.00 34.41 C ATOM 652 C LYS A 40 22.993 -68.757 -16.361 1.00 30.45 C ATOM 653 O LYS A 40 22.297 -69.575 -16.963 1.00 13.23 O ATOM 654 CB LYS A 40 21.593 -67.122 -15.086 1.00 62.51 C ATOM 655 CG LYS A 40 20.157 -67.587 -15.259 1.00 44.34 C ATOM 656 CD LYS A 40 19.170 -66.473 -14.952 1.00 63.02 C ATOM 657 CE LYS A 40 17.734 -66.968 -15.019 1.00 15.32 C ATOM 658 NZ LYS A 40 17.200 -66.935 -16.409 1.00 33.34 N ATOM 0 H LYS A 40 23.772 -66.852 -13.967 1.00 42.02 H new ATOM 0 HA LYS A 40 22.136 -69.098 -14.432 1.00 34.41 H new ATOM 0 HB2 LYS A 40 21.660 -66.500 -14.193 1.00 62.51 H new ATOM 0 HB3 LYS A 40 21.867 -66.494 -15.933 1.00 62.51 H new ATOM 0 HG2 LYS A 40 20.007 -67.936 -16.281 1.00 44.34 H new ATOM 0 HG3 LYS A 40 19.966 -68.435 -14.601 1.00 44.34 H new ATOM 0 HD2 LYS A 40 19.371 -66.070 -13.959 1.00 63.02 H new ATOM 0 HD3 LYS A 40 19.308 -65.657 -15.661 1.00 63.02 H new ATOM 0 HE2 LYS A 40 17.683 -67.987 -14.634 1.00 15.32 H new ATOM 0 HE3 LYS A 40 17.107 -66.352 -14.374 1.00 15.32 H new ATOM 0 HZ1 LYS A 40 16.219 -67.280 -16.412 1.00 33.34 H new ATOM 0 HZ2 LYS A 40 17.225 -65.959 -16.767 1.00 33.34 H new ATOM 0 HZ3 LYS A 40 17.783 -67.543 -17.019 1.00 33.34 H new ATOM 672 N ARG A 41 24.114 -68.251 -16.864 1.00 30.20 N ATOM 673 CA ARG A 41 24.601 -68.635 -18.183 1.00 74.45 C ATOM 674 C ARG A 41 24.834 -70.141 -18.260 1.00 32.42 C ATOM 675 O ARG A 41 24.779 -70.734 -19.337 1.00 74.41 O ATOM 676 CB ARG A 41 25.897 -67.891 -18.509 1.00 54.33 C ATOM 677 CG ARG A 41 26.993 -68.096 -17.477 1.00 12.44 C ATOM 678 CD ARG A 41 27.940 -66.907 -17.426 1.00 61.14 C ATOM 679 NE ARG A 41 28.710 -66.768 -18.660 1.00 31.33 N ATOM 680 CZ ARG A 41 29.836 -66.069 -18.748 1.00 61.53 C ATOM 681 NH1 ARG A 41 30.321 -65.450 -17.681 1.00 43.34 N ATOM 682 NH2 ARG A 41 30.480 -65.990 -19.906 1.00 33.11 N ATOM 0 H ARG A 41 24.702 -67.574 -16.378 1.00 30.20 H new ATOM 0 HA ARG A 41 23.841 -68.364 -18.915 1.00 74.45 H new ATOM 0 HB2 ARG A 41 26.260 -68.221 -19.482 1.00 54.33 H new ATOM 0 HB3 ARG A 41 25.683 -66.825 -18.593 1.00 54.33 H new ATOM 0 HG2 ARG A 41 26.545 -68.248 -16.495 1.00 12.44 H new ATOM 0 HG3 ARG A 41 27.554 -69.000 -17.715 1.00 12.44 H new ATOM 0 HD2 ARG A 41 27.369 -65.996 -17.250 1.00 61.14 H new ATOM 0 HD3 ARG A 41 28.622 -67.023 -16.584 1.00 61.14 H new ATOM 0 HE ARG A 41 28.364 -67.233 -19.499 1.00 31.33 H new ATOM 0 HH11 ARG A 41 29.829 -65.510 -16.789 1.00 43.34 H new ATOM 0 HH12 ARG A 41 31.186 -64.914 -17.752 1.00 43.34 H new ATOM 0 HH21 ARG A 41 30.110 -66.466 -20.729 1.00 33.11 H new ATOM 0 HH22 ARG A 41 31.345 -65.453 -19.973 1.00 33.11 H new ATOM 696 N SER A 42 25.095 -70.754 -17.109 1.00 51.42 N ATOM 697 CA SER A 42 25.341 -72.190 -17.046 1.00 51.41 C ATOM 698 C SER A 42 26.416 -72.601 -18.048 1.00 33.24 C ATOM 699 O SER A 42 26.328 -73.660 -18.670 1.00 54.44 O ATOM 700 CB SER A 42 24.049 -72.962 -17.320 1.00 63.24 C ATOM 701 OG SER A 42 23.799 -73.059 -18.712 1.00 13.02 O ATOM 0 H SER A 42 25.141 -70.278 -16.208 1.00 51.42 H new ATOM 0 HA SER A 42 25.693 -72.431 -16.043 1.00 51.41 H new ATOM 0 HB2 SER A 42 24.120 -73.961 -16.889 1.00 63.24 H new ATOM 0 HB3 SER A 42 23.213 -72.463 -16.831 1.00 63.24 H new ATOM 0 HG SER A 42 24.108 -72.243 -19.158 1.00 13.02 H new ATOM 707 N PHE A 43 27.431 -71.756 -18.197 1.00 75.44 N ATOM 708 CA PHE A 43 28.523 -72.030 -19.124 1.00 30.42 C ATOM 709 C PHE A 43 29.147 -73.393 -18.840 1.00 65.43 C ATOM 710 O PHE A 43 29.690 -74.038 -19.738 1.00 71.23 O ATOM 711 CB PHE A 43 29.590 -70.938 -19.025 1.00 55.33 C ATOM 712 CG PHE A 43 30.597 -70.981 -20.138 1.00 71.35 C ATOM 713 CD1 PHE A 43 31.920 -71.301 -19.881 1.00 22.00 C ATOM 714 CD2 PHE A 43 30.221 -70.702 -21.442 1.00 54.14 C ATOM 715 CE1 PHE A 43 32.850 -71.342 -20.903 1.00 72.41 C ATOM 716 CE2 PHE A 43 31.146 -70.742 -22.469 1.00 35.24 C ATOM 717 CZ PHE A 43 32.462 -71.062 -22.198 1.00 51.55 C ATOM 0 H PHE A 43 27.520 -70.876 -17.688 1.00 75.44 H new ATOM 0 HA PHE A 43 28.115 -72.039 -20.135 1.00 30.42 H new ATOM 0 HB2 PHE A 43 29.102 -69.963 -19.025 1.00 55.33 H new ATOM 0 HB3 PHE A 43 30.110 -71.034 -18.072 1.00 55.33 H new ATOM 0 HD1 PHE A 43 32.229 -71.521 -18.870 1.00 22.00 H new ATOM 0 HD2 PHE A 43 29.193 -70.450 -21.659 1.00 54.14 H new ATOM 0 HE1 PHE A 43 33.878 -71.593 -20.689 1.00 72.41 H new ATOM 0 HE2 PHE A 43 30.840 -70.523 -23.481 1.00 35.24 H new ATOM 0 HZ PHE A 43 33.187 -71.093 -22.998 1.00 51.55 H new ATOM 727 N ILE A 44 29.067 -73.825 -17.586 1.00 42.11 N ATOM 728 CA ILE A 44 29.624 -75.111 -17.184 1.00 54.31 C ATOM 729 C ILE A 44 28.848 -76.265 -17.810 1.00 24.10 C ATOM 730 O ILE A 44 29.404 -77.333 -18.063 1.00 20.43 O ATOM 731 CB ILE A 44 29.617 -75.273 -15.653 1.00 34.14 C ATOM 732 CG1 ILE A 44 30.404 -74.138 -14.994 1.00 32.30 C ATOM 733 CG2 ILE A 44 30.196 -76.624 -15.261 1.00 21.15 C ATOM 734 CD1 ILE A 44 30.262 -74.099 -13.488 1.00 65.35 C ATOM 0 H ILE A 44 28.622 -73.303 -16.831 1.00 42.11 H new ATOM 0 HA ILE A 44 30.654 -75.134 -17.539 1.00 54.31 H new ATOM 0 HB ILE A 44 28.586 -75.226 -15.302 1.00 34.14 H new ATOM 0 HG12 ILE A 44 31.459 -74.242 -15.249 1.00 32.30 H new ATOM 0 HG13 ILE A 44 30.069 -73.187 -15.407 1.00 32.30 H new ATOM 0 HG21 ILE A 44 30.184 -76.724 -14.176 1.00 21.15 H new ATOM 0 HG22 ILE A 44 29.597 -77.419 -15.705 1.00 21.15 H new ATOM 0 HG23 ILE A 44 31.222 -76.698 -15.621 1.00 21.15 H new ATOM 0 HD11 ILE A 44 30.846 -73.270 -13.089 1.00 65.35 H new ATOM 0 HD12 ILE A 44 29.213 -73.964 -13.225 1.00 65.35 H new ATOM 0 HD13 ILE A 44 30.624 -75.035 -13.064 1.00 65.35 H new ATOM 746 N GLU A 45 27.562 -76.041 -18.059 1.00 11.22 N ATOM 747 CA GLU A 45 26.711 -77.063 -18.657 1.00 14.24 C ATOM 748 C GLU A 45 26.812 -77.033 -20.179 1.00 21.11 C ATOM 749 O GLU A 45 26.441 -77.993 -20.855 1.00 51.42 O ATOM 750 CB GLU A 45 25.256 -76.861 -18.227 1.00 72.34 C ATOM 751 CG GLU A 45 25.036 -77.009 -16.731 1.00 65.52 C ATOM 752 CD GLU A 45 25.694 -78.253 -16.166 1.00 23.15 C ATOM 753 OE1 GLU A 45 26.640 -78.110 -15.362 1.00 60.14 O ATOM 754 OE2 GLU A 45 25.264 -79.369 -16.526 1.00 1.43 O ATOM 0 H GLU A 45 27.087 -75.162 -17.856 1.00 11.22 H new ATOM 0 HA GLU A 45 27.054 -78.036 -18.307 1.00 14.24 H new ATOM 0 HB2 GLU A 45 24.929 -75.869 -18.537 1.00 72.34 H new ATOM 0 HB3 GLU A 45 24.628 -77.582 -18.751 1.00 72.34 H new ATOM 0 HG2 GLU A 45 25.430 -76.130 -16.221 1.00 65.52 H new ATOM 0 HG3 GLU A 45 23.966 -77.043 -16.526 1.00 65.52 H new ATOM 761 N ASP A 46 27.317 -75.925 -20.711 1.00 34.33 N ATOM 762 CA ASP A 46 27.468 -75.770 -22.153 1.00 11.42 C ATOM 763 C ASP A 46 28.337 -76.882 -22.731 1.00 43.42 C ATOM 764 O ASP A 46 28.253 -77.195 -23.919 1.00 64.54 O ATOM 765 CB ASP A 46 28.079 -74.406 -22.479 1.00 12.23 C ATOM 766 CG ASP A 46 27.157 -73.257 -22.119 1.00 73.51 C ATOM 767 OD1 ASP A 46 27.477 -72.104 -22.476 1.00 63.33 O ATOM 768 OD2 ASP A 46 26.114 -73.512 -21.481 1.00 51.12 O ATOM 0 H ASP A 46 27.629 -75.121 -20.165 1.00 34.33 H new ATOM 0 HA ASP A 46 26.479 -75.834 -22.606 1.00 11.42 H new ATOM 0 HB2 ASP A 46 29.020 -74.295 -21.941 1.00 12.23 H new ATOM 0 HB3 ASP A 46 28.313 -74.361 -23.543 1.00 12.23 H new ATOM 773 N LEU A 47 29.172 -77.474 -21.885 1.00 4.54 N ATOM 774 CA LEU A 47 30.059 -78.551 -22.311 1.00 52.45 C ATOM 775 C LEU A 47 29.259 -79.740 -22.834 1.00 12.42 C ATOM 776 O LEU A 47 29.787 -80.590 -23.551 1.00 61.21 O ATOM 777 CB LEU A 47 30.952 -78.993 -21.151 1.00 42.31 C ATOM 778 CG LEU A 47 30.328 -79.976 -20.160 1.00 40.13 C ATOM 779 CD1 LEU A 47 30.590 -81.410 -20.594 1.00 51.34 C ATOM 780 CD2 LEU A 47 30.867 -79.734 -18.758 1.00 21.41 C ATOM 0 H LEU A 47 29.254 -77.226 -20.899 1.00 4.54 H new ATOM 0 HA LEU A 47 30.685 -78.174 -23.119 1.00 52.45 H new ATOM 0 HB2 LEU A 47 31.852 -79.447 -21.565 1.00 42.31 H new ATOM 0 HB3 LEU A 47 31.266 -78.105 -20.602 1.00 42.31 H new ATOM 0 HG LEU A 47 29.250 -79.814 -20.146 1.00 40.13 H new ATOM 0 HD11 LEU A 47 30.139 -82.095 -19.877 1.00 51.34 H new ATOM 0 HD12 LEU A 47 30.155 -81.577 -21.579 1.00 51.34 H new ATOM 0 HD13 LEU A 47 31.665 -81.586 -20.637 1.00 51.34 H new ATOM 0 HD21 LEU A 47 30.412 -80.443 -18.066 1.00 21.41 H new ATOM 0 HD22 LEU A 47 31.949 -79.868 -18.756 1.00 21.41 H new ATOM 0 HD23 LEU A 47 30.627 -78.717 -18.446 1.00 21.41 H new ATOM 792 N LEU A 48 27.982 -79.792 -22.472 1.00 12.45 N ATOM 793 CA LEU A 48 27.107 -80.875 -22.905 1.00 71.44 C ATOM 794 C LEU A 48 26.938 -80.865 -24.421 1.00 53.23 C ATOM 795 O LEU A 48 26.495 -81.849 -25.014 1.00 14.11 O ATOM 796 CB LEU A 48 25.741 -80.757 -22.227 1.00 52.04 C ATOM 797 CG LEU A 48 25.602 -81.450 -20.871 1.00 43.23 C ATOM 798 CD1 LEU A 48 26.380 -80.695 -19.804 1.00 52.14 C ATOM 799 CD2 LEU A 48 24.136 -81.570 -20.481 1.00 43.30 C ATOM 0 H LEU A 48 27.529 -79.096 -21.879 1.00 12.45 H new ATOM 0 HA LEU A 48 27.568 -81.819 -22.615 1.00 71.44 H new ATOM 0 HB2 LEU A 48 25.513 -79.699 -22.097 1.00 52.04 H new ATOM 0 HB3 LEU A 48 24.987 -81.165 -22.900 1.00 52.04 H new ATOM 0 HG LEU A 48 26.018 -82.454 -20.953 1.00 43.23 H new ATOM 0 HD11 LEU A 48 26.270 -81.203 -18.846 1.00 52.14 H new ATOM 0 HD12 LEU A 48 27.435 -80.662 -20.078 1.00 52.14 H new ATOM 0 HD13 LEU A 48 25.994 -79.679 -19.723 1.00 52.14 H new ATOM 0 HD21 LEU A 48 24.056 -82.066 -19.513 1.00 43.30 H new ATOM 0 HD22 LEU A 48 23.694 -80.576 -20.417 1.00 43.30 H new ATOM 0 HD23 LEU A 48 23.606 -82.155 -21.233 1.00 43.30 H new ATOM 811 N PHE A 49 27.295 -79.746 -25.044 1.00 23.54 N ATOM 812 CA PHE A 49 27.184 -79.608 -26.491 1.00 42.00 C ATOM 813 C PHE A 49 28.003 -80.680 -27.204 1.00 41.14 C ATOM 814 O PHE A 49 27.746 -81.004 -28.363 1.00 12.11 O ATOM 815 CB PHE A 49 27.651 -78.218 -26.929 1.00 31.20 C ATOM 816 CG PHE A 49 29.141 -78.105 -27.077 1.00 23.21 C ATOM 817 CD1 PHE A 49 29.704 -77.716 -28.282 1.00 13.43 C ATOM 818 CD2 PHE A 49 29.980 -78.389 -26.011 1.00 71.21 C ATOM 819 CE1 PHE A 49 31.075 -77.610 -28.421 1.00 72.31 C ATOM 820 CE2 PHE A 49 31.352 -78.285 -26.144 1.00 74.34 C ATOM 821 CZ PHE A 49 31.900 -77.897 -27.351 1.00 52.42 C ATOM 0 H PHE A 49 27.664 -78.922 -24.569 1.00 23.54 H new ATOM 0 HA PHE A 49 26.136 -79.735 -26.764 1.00 42.00 H new ATOM 0 HB2 PHE A 49 27.180 -77.968 -27.879 1.00 31.20 H new ATOM 0 HB3 PHE A 49 27.310 -77.483 -26.201 1.00 31.20 H new ATOM 0 HD1 PHE A 49 29.064 -77.493 -29.123 1.00 13.43 H new ATOM 0 HD2 PHE A 49 29.557 -78.695 -25.066 1.00 71.21 H new ATOM 0 HE1 PHE A 49 31.501 -77.303 -29.365 1.00 72.31 H new ATOM 0 HE2 PHE A 49 31.995 -78.507 -25.305 1.00 74.34 H new ATOM 0 HZ PHE A 49 32.972 -77.818 -27.458 1.00 52.42 H new ATOM 831 N ASN A 50 28.991 -81.226 -26.503 1.00 1.12 N ATOM 832 CA ASN A 50 29.849 -82.261 -27.068 1.00 42.45 C ATOM 833 C ASN A 50 29.139 -83.611 -27.079 1.00 12.21 C ATOM 834 O ASN A 50 29.594 -84.560 -27.718 1.00 51.40 O ATOM 835 CB ASN A 50 31.152 -82.363 -26.273 1.00 30.32 C ATOM 836 CG ASN A 50 32.196 -83.205 -26.980 1.00 24.32 C ATOM 837 OD1 ASN A 50 32.771 -84.122 -26.393 1.00 65.44 O ATOM 838 ND2 ASN A 50 32.447 -82.896 -28.247 1.00 33.22 N ATOM 0 H ASN A 50 29.217 -80.969 -25.542 1.00 1.12 H new ATOM 0 HA ASN A 50 30.080 -81.984 -28.097 1.00 42.45 H new ATOM 0 HB2 ASN A 50 31.550 -81.363 -26.103 1.00 30.32 H new ATOM 0 HB3 ASN A 50 30.944 -82.794 -25.294 1.00 30.32 H new ATOM 0 HD21 ASN A 50 33.140 -83.427 -28.774 1.00 33.22 H new ATOM 0 HD22 ASN A 50 31.946 -82.128 -28.693 1.00 33.22 H new ATOM 845 N LYS A 51 28.020 -83.690 -26.367 1.00 12.21 N ATOM 846 CA LYS A 51 27.244 -84.922 -26.295 1.00 32.24 C ATOM 847 C LYS A 51 26.130 -84.926 -27.336 1.00 53.44 C ATOM 848 O LYS A 51 25.026 -85.406 -27.078 1.00 11.40 O ATOM 849 CB LYS A 51 26.648 -85.093 -24.895 1.00 45.21 C ATOM 850 CG LYS A 51 27.681 -85.030 -23.783 1.00 61.01 C ATOM 851 CD LYS A 51 28.442 -86.339 -23.654 1.00 43.24 C ATOM 852 CE LYS A 51 29.659 -86.190 -22.754 1.00 43.43 C ATOM 853 NZ LYS A 51 30.232 -87.510 -22.372 1.00 72.12 N ATOM 0 H LYS A 51 27.630 -82.915 -25.831 1.00 12.21 H new ATOM 0 HA LYS A 51 27.914 -85.756 -26.503 1.00 32.24 H new ATOM 0 HB2 LYS A 51 25.901 -84.317 -24.730 1.00 45.21 H new ATOM 0 HB3 LYS A 51 26.130 -86.050 -24.844 1.00 45.21 H new ATOM 0 HG2 LYS A 51 28.382 -84.219 -23.981 1.00 61.01 H new ATOM 0 HG3 LYS A 51 27.187 -84.801 -22.839 1.00 61.01 H new ATOM 0 HD2 LYS A 51 27.782 -87.107 -23.251 1.00 43.24 H new ATOM 0 HD3 LYS A 51 28.757 -86.677 -24.641 1.00 43.24 H new ATOM 0 HE2 LYS A 51 30.419 -85.599 -23.266 1.00 43.43 H new ATOM 0 HE3 LYS A 51 29.380 -85.641 -21.854 1.00 43.43 H new ATOM 0 HZ1 LYS A 51 31.059 -87.365 -21.759 1.00 72.12 H new ATOM 0 HZ2 LYS A 51 29.516 -88.065 -21.861 1.00 72.12 H new ATOM 0 HZ3 LYS A 51 30.522 -88.024 -23.229 1.00 72.12 H new ATOM 867 N VAL A 52 26.426 -84.388 -28.515 1.00 64.25 N ATOM 868 CA VAL A 52 25.451 -84.332 -29.597 1.00 54.13 C ATOM 869 C VAL A 52 24.832 -85.702 -29.851 1.00 52.22 C ATOM 870 O VAL A 52 25.503 -86.729 -29.743 1.00 13.15 O ATOM 871 CB VAL A 52 26.088 -83.819 -30.902 1.00 42.12 C ATOM 872 CG1 VAL A 52 25.032 -83.656 -31.985 1.00 1.34 C ATOM 873 CG2 VAL A 52 26.820 -82.508 -30.658 1.00 11.14 C ATOM 0 H VAL A 52 27.334 -83.984 -28.745 1.00 64.25 H new ATOM 0 HA VAL A 52 24.672 -83.637 -29.284 1.00 54.13 H new ATOM 0 HB VAL A 52 26.814 -84.556 -31.245 1.00 42.12 H new ATOM 0 HG11 VAL A 52 25.501 -83.293 -32.899 1.00 1.34 H new ATOM 0 HG12 VAL A 52 24.558 -84.618 -32.178 1.00 1.34 H new ATOM 0 HG13 VAL A 52 24.279 -82.940 -31.655 1.00 1.34 H new ATOM 0 HG21 VAL A 52 27.264 -82.160 -31.591 1.00 11.14 H new ATOM 0 HG22 VAL A 52 26.116 -81.761 -30.290 1.00 11.14 H new ATOM 0 HG23 VAL A 52 27.605 -82.662 -29.918 1.00 11.14 H new ATOM 883 N THR A 53 23.546 -85.711 -30.191 1.00 5.11 N ATOM 884 CA THR A 53 22.836 -86.955 -30.460 1.00 11.40 C ATOM 885 C THR A 53 23.592 -87.813 -31.467 1.00 63.21 C ATOM 886 O THR A 53 23.514 -89.042 -31.434 1.00 33.14 O ATOM 887 CB THR A 53 21.417 -86.686 -30.995 1.00 34.10 C ATOM 888 OG1 THR A 53 20.861 -85.533 -30.353 1.00 50.01 O ATOM 889 CG2 THR A 53 20.514 -87.888 -30.760 1.00 54.35 C ATOM 0 H THR A 53 22.976 -84.871 -30.286 1.00 5.11 H new ATOM 0 HA THR A 53 22.765 -87.490 -29.513 1.00 11.40 H new ATOM 0 HB THR A 53 21.485 -86.506 -32.068 1.00 34.10 H new ATOM 0 HG1 THR A 53 19.960 -85.368 -30.700 1.00 50.01 H new ATOM 0 HG21 THR A 53 19.517 -87.675 -31.146 1.00 54.35 H new ATOM 0 HG22 THR A 53 20.924 -88.757 -31.274 1.00 54.35 H new ATOM 0 HG23 THR A 53 20.453 -88.094 -29.691 1.00 54.35 H new ATOM 897 N LEU A 54 24.325 -87.160 -32.362 1.00 4.13 N ATOM 898 CA LEU A 54 25.098 -87.864 -33.379 1.00 72.42 C ATOM 899 C LEU A 54 26.503 -88.179 -32.875 1.00 74.35 C ATOM 900 O LEU A 54 27.123 -89.152 -33.304 1.00 51.11 O ATOM 901 CB LEU A 54 25.178 -87.028 -34.657 1.00 54.43 C ATOM 902 CG LEU A 54 25.106 -87.803 -35.973 1.00 60.40 C ATOM 903 CD1 LEU A 54 26.281 -88.761 -36.092 1.00 61.44 C ATOM 904 CD2 LEU A 54 23.788 -88.557 -36.077 1.00 22.33 C ATOM 0 H LEU A 54 24.400 -86.144 -32.404 1.00 4.13 H new ATOM 0 HA LEU A 54 24.592 -88.804 -33.598 1.00 72.42 H new ATOM 0 HB2 LEU A 54 24.367 -86.300 -34.642 1.00 54.43 H new ATOM 0 HB3 LEU A 54 26.111 -86.465 -34.641 1.00 54.43 H new ATOM 0 HG LEU A 54 25.159 -87.090 -36.796 1.00 60.40 H new ATOM 0 HD11 LEU A 54 26.214 -89.304 -37.035 1.00 61.44 H new ATOM 0 HD12 LEU A 54 27.214 -88.198 -36.064 1.00 61.44 H new ATOM 0 HD13 LEU A 54 26.259 -89.469 -35.263 1.00 61.44 H new ATOM 0 HD21 LEU A 54 23.754 -89.103 -37.020 1.00 22.33 H new ATOM 0 HD22 LEU A 54 23.704 -89.260 -35.248 1.00 22.33 H new ATOM 0 HD23 LEU A 54 22.960 -87.849 -36.038 1.00 22.33 H new ATOM 916 N ALA A 55 26.997 -87.351 -31.961 1.00 64.15 N ATOM 917 CA ALA A 55 28.327 -87.544 -31.396 1.00 10.30 C ATOM 918 C ALA A 55 28.417 -88.866 -30.642 1.00 15.02 C ATOM 919 O ALA A 55 29.492 -89.453 -30.525 1.00 23.13 O ATOM 920 CB ALA A 55 28.683 -86.384 -30.477 1.00 35.52 C ATOM 0 H ALA A 55 26.497 -86.540 -31.596 1.00 64.15 H new ATOM 0 HA ALA A 55 29.043 -87.576 -32.217 1.00 10.30 H new ATOM 0 HB1 ALA A 55 29.679 -86.541 -30.062 1.00 35.52 H new ATOM 0 HB2 ALA A 55 28.669 -85.453 -31.044 1.00 35.52 H new ATOM 0 HB3 ALA A 55 27.957 -86.326 -29.666 1.00 35.52 H new ATOM 926 N ASP A 56 27.281 -89.329 -30.132 1.00 14.33 N ATOM 927 CA ASP A 56 27.231 -90.583 -29.389 1.00 11.54 C ATOM 928 C ASP A 56 27.870 -91.714 -30.188 1.00 41.30 C ATOM 929 O ASP A 56 28.424 -92.653 -29.618 1.00 61.44 O ATOM 930 CB ASP A 56 25.784 -90.939 -29.044 1.00 71.04 C ATOM 931 CG ASP A 56 25.072 -91.638 -30.186 1.00 45.13 C ATOM 932 OD1 ASP A 56 25.094 -91.103 -31.315 1.00 34.21 O ATOM 933 OD2 ASP A 56 24.495 -92.720 -29.952 1.00 3.14 O ATOM 0 H ASP A 56 26.382 -88.855 -30.219 1.00 14.33 H new ATOM 0 HA ASP A 56 27.795 -90.452 -28.465 1.00 11.54 H new ATOM 0 HB2 ASP A 56 25.771 -91.582 -28.164 1.00 71.04 H new ATOM 0 HB3 ASP A 56 25.242 -90.030 -28.783 1.00 71.04 H new ATOM 938 N ALA A 57 27.788 -91.616 -31.511 1.00 30.41 N ATOM 939 CA ALA A 57 28.359 -92.631 -32.388 1.00 41.54 C ATOM 940 C ALA A 57 29.833 -92.863 -32.072 1.00 75.51 C ATOM 941 O ALA A 57 30.359 -93.954 -32.290 1.00 3.33 O ATOM 942 CB ALA A 57 28.188 -92.225 -33.845 1.00 34.41 C ATOM 0 H ALA A 57 27.332 -90.845 -31.999 1.00 30.41 H new ATOM 0 HA ALA A 57 27.826 -93.566 -32.217 1.00 41.54 H new ATOM 0 HB1 ALA A 57 28.619 -92.992 -34.489 1.00 34.41 H new ATOM 0 HB2 ALA A 57 27.127 -92.116 -34.070 1.00 34.41 H new ATOM 0 HB3 ALA A 57 28.696 -91.276 -34.020 1.00 34.41 H new ATOM 948 N GLY A 58 30.493 -91.831 -31.558 1.00 3.44 N ATOM 949 CA GLY A 58 31.900 -91.944 -31.221 1.00 3.33 C ATOM 950 C GLY A 58 32.121 -92.561 -29.854 1.00 65.11 C ATOM 951 O GLY A 58 33.192 -93.101 -29.575 1.00 1.14 O ATOM 0 H GLY A 58 30.079 -90.918 -31.369 1.00 3.44 H new ATOM 0 HA2 GLY A 58 32.404 -92.549 -31.975 1.00 3.33 H new ATOM 0 HA3 GLY A 58 32.358 -90.955 -31.248 1.00 3.33 H new ATOM 955 N PHE A 59 31.107 -92.481 -28.999 1.00 44.40 N ATOM 956 CA PHE A 59 31.197 -93.034 -27.653 1.00 12.33 C ATOM 957 C PHE A 59 31.538 -94.520 -27.697 1.00 20.30 C ATOM 958 O PHE A 59 32.118 -95.063 -26.757 1.00 42.11 O ATOM 959 CB PHE A 59 29.879 -92.823 -26.903 1.00 64.35 C ATOM 960 CG PHE A 59 30.002 -92.993 -25.416 1.00 70.11 C ATOM 961 CD1 PHE A 59 29.662 -94.193 -24.812 1.00 52.31 C ATOM 962 CD2 PHE A 59 30.457 -91.953 -24.622 1.00 51.30 C ATOM 963 CE1 PHE A 59 29.774 -94.352 -23.444 1.00 33.43 C ATOM 964 CE2 PHE A 59 30.571 -92.107 -23.253 1.00 43.33 C ATOM 965 CZ PHE A 59 30.228 -93.307 -22.663 1.00 61.53 C ATOM 0 H PHE A 59 30.214 -92.039 -29.214 1.00 44.40 H new ATOM 0 HA PHE A 59 31.995 -92.512 -27.125 1.00 12.33 H new ATOM 0 HB2 PHE A 59 29.505 -91.822 -27.117 1.00 64.35 H new ATOM 0 HB3 PHE A 59 29.138 -93.527 -27.281 1.00 64.35 H new ATOM 0 HD1 PHE A 59 29.305 -95.013 -25.417 1.00 52.31 H new ATOM 0 HD2 PHE A 59 30.726 -91.011 -25.078 1.00 51.30 H new ATOM 0 HE1 PHE A 59 29.507 -95.293 -22.986 1.00 33.43 H new ATOM 0 HE2 PHE A 59 30.928 -91.289 -22.645 1.00 43.33 H new ATOM 0 HZ PHE A 59 30.314 -93.428 -21.593 1.00 61.53 H new ATOM 975 N MET A 60 31.173 -95.173 -28.796 1.00 14.43 N ATOM 976 CA MET A 60 31.440 -96.596 -28.963 1.00 63.33 C ATOM 977 C MET A 60 32.915 -96.904 -28.722 1.00 33.40 C ATOM 978 O MET A 60 33.262 -97.975 -28.222 1.00 43.43 O ATOM 979 CB MET A 60 31.035 -97.051 -30.367 1.00 23.43 C ATOM 980 CG MET A 60 30.850 -98.555 -30.488 1.00 21.30 C ATOM 981 SD MET A 60 32.396 -99.420 -30.826 1.00 75.43 S ATOM 982 CE MET A 60 32.203 -99.789 -32.569 1.00 12.25 C ATOM 0 H MET A 60 30.692 -94.739 -29.584 1.00 14.43 H new ATOM 0 HA MET A 60 30.848 -97.140 -28.227 1.00 63.33 H new ATOM 0 HB2 MET A 60 30.106 -96.555 -30.647 1.00 23.43 H new ATOM 0 HB3 MET A 60 31.795 -96.728 -31.078 1.00 23.43 H new ATOM 0 HG2 MET A 60 30.418 -98.939 -29.564 1.00 21.30 H new ATOM 0 HG3 MET A 60 30.138 -98.767 -31.286 1.00 21.30 H new ATOM 0 HE1 MET A 60 33.082-100.325 -32.927 1.00 12.25 H new ATOM 0 HE2 MET A 60 31.317-100.407 -32.714 1.00 12.25 H new ATOM 0 HE3 MET A 60 32.092 -98.860 -33.128 1.00 12.25 H new ATOM 992 N LYS A 61 33.778 -95.960 -29.080 1.00 61.12 N ATOM 993 CA LYS A 61 35.215 -96.129 -28.902 1.00 23.50 C ATOM 994 C LYS A 61 35.548 -96.469 -27.452 1.00 54.24 C ATOM 995 O LYS A 61 36.531 -97.155 -27.177 1.00 4.23 O ATOM 996 CB LYS A 61 35.955 -94.857 -29.322 1.00 24.43 C ATOM 997 CG LYS A 61 37.465 -94.958 -29.184 1.00 33.33 C ATOM 998 CD LYS A 61 38.033 -96.056 -30.068 1.00 3.34 C ATOM 999 CE LYS A 61 39.527 -95.874 -30.290 1.00 51.15 C ATOM 1000 NZ LYS A 61 40.321 -96.309 -29.108 1.00 61.24 N ATOM 0 H LYS A 61 33.507 -95.069 -29.496 1.00 61.12 H new ATOM 0 HA LYS A 61 35.539 -96.956 -29.534 1.00 23.50 H new ATOM 0 HB2 LYS A 61 35.708 -94.628 -30.359 1.00 24.43 H new ATOM 0 HB3 LYS A 61 35.598 -94.023 -28.718 1.00 24.43 H new ATOM 0 HG2 LYS A 61 37.920 -94.004 -29.449 1.00 33.33 H new ATOM 0 HG3 LYS A 61 37.724 -95.156 -28.144 1.00 33.33 H new ATOM 0 HD2 LYS A 61 37.848 -97.027 -29.609 1.00 3.34 H new ATOM 0 HD3 LYS A 61 37.518 -96.054 -31.029 1.00 3.34 H new ATOM 0 HE2 LYS A 61 39.836 -96.445 -31.165 1.00 51.15 H new ATOM 0 HE3 LYS A 61 39.737 -94.826 -30.503 1.00 51.15 H new ATOM 0 HZ1 LYS A 61 41.334 -96.169 -29.299 1.00 61.24 H new ATOM 0 HZ2 LYS A 61 40.044 -95.747 -28.278 1.00 61.24 H new ATOM 0 HZ3 LYS A 61 40.140 -97.316 -28.920 1.00 61.24 H new ATOM 1014 N GLN A 62 34.720 -95.985 -26.532 1.00 23.04 N ATOM 1015 CA GLN A 62 34.927 -96.239 -25.111 1.00 2.43 C ATOM 1016 C GLN A 62 34.875 -97.733 -24.811 1.00 63.12 C ATOM 1017 O GLN A 62 35.685 -98.251 -24.042 1.00 1.45 O ATOM 1018 CB GLN A 62 33.873 -95.503 -24.281 1.00 62.30 C ATOM 1019 CG GLN A 62 34.247 -95.357 -22.815 1.00 14.23 C ATOM 1020 CD GLN A 62 33.535 -94.198 -22.144 1.00 62.13 C ATOM 1021 OE1 GLN A 62 33.599 -93.061 -22.612 1.00 52.13 O ATOM 1022 NE2 GLN A 62 32.852 -94.481 -21.041 1.00 53.05 N ATOM 0 H GLN A 62 33.901 -95.416 -26.745 1.00 23.04 H new ATOM 0 HA GLN A 62 35.916 -95.868 -24.842 1.00 2.43 H new ATOM 0 HB2 GLN A 62 33.713 -94.513 -24.707 1.00 62.30 H new ATOM 0 HB3 GLN A 62 32.926 -96.038 -24.354 1.00 62.30 H new ATOM 0 HG2 GLN A 62 34.006 -96.281 -22.289 1.00 14.23 H new ATOM 0 HG3 GLN A 62 35.324 -95.214 -22.731 1.00 14.23 H new ATOM 0 HE21 GLN A 62 32.826 -95.438 -20.689 1.00 53.05 H new ATOM 0 HE22 GLN A 62 32.353 -93.742 -20.546 1.00 53.05 H new ATOM 1031 N TYR A 63 33.918 -98.421 -25.424 1.00 22.14 N ATOM 1032 CA TYR A 63 33.759 -99.856 -25.220 1.00 71.13 C ATOM 1033 C TYR A 63 35.075-100.590 -25.459 1.00 4.55 C ATOM 1034 O TYR A 63 35.338-101.629 -24.855 1.00 42.12 O ATOM 1035 CB TYR A 63 32.679-100.408 -26.153 1.00 0.33 C ATOM 1036 CG TYR A 63 32.348-101.862 -25.902 1.00 54.51 C ATOM 1037 CD1 TYR A 63 33.179-102.874 -26.365 1.00 45.32 C ATOM 1038 CD2 TYR A 63 31.203-102.223 -25.203 1.00 74.23 C ATOM 1039 CE1 TYR A 63 32.880-104.203 -26.139 1.00 65.43 C ATOM 1040 CE2 TYR A 63 30.896-103.550 -24.971 1.00 65.14 C ATOM 1041 CZ TYR A 63 31.738-104.536 -25.442 1.00 23.54 C ATOM 1042 OH TYR A 63 31.436-105.860 -25.214 1.00 1.51 O ATOM 0 H TYR A 63 33.241 -98.008 -26.066 1.00 22.14 H new ATOM 0 HA TYR A 63 33.456-100.018 -24.186 1.00 71.13 H new ATOM 0 HB2 TYR A 63 31.773 -99.813 -26.039 1.00 0.33 H new ATOM 0 HB3 TYR A 63 33.009-100.292 -27.185 1.00 0.33 H new ATOM 0 HD1 TYR A 63 34.075-102.617 -26.911 1.00 45.32 H new ATOM 0 HD2 TYR A 63 30.541-101.453 -24.835 1.00 74.23 H new ATOM 0 HE1 TYR A 63 33.537-104.977 -26.506 1.00 65.43 H new ATOM 0 HE2 TYR A 63 30.003-103.814 -24.424 1.00 65.14 H new ATOM 0 HH TYR A 63 30.599-105.922 -24.708 1.00 1.51 H new ATOM 1052 N GLY A 64 35.901-100.039 -26.344 1.00 14.43 N ATOM 1053 CA GLY A 64 37.180-100.652 -26.647 1.00 23.22 C ATOM 1054 C GLY A 64 38.310-100.080 -25.813 1.00 35.54 C ATOM 1055 O GLY A 64 39.084 -99.252 -26.290 1.00 62.44 O ATOM 0 H GLY A 64 35.706 -99.179 -26.856 1.00 14.43 H new ATOM 0 HA2 GLY A 64 37.114-101.726 -26.476 1.00 23.22 H new ATOM 0 HA3 GLY A 64 37.406-100.511 -27.704 1.00 23.22 H new ATOM 1059 N GLU A 65 38.402-100.522 -24.562 1.00 71.22 N ATOM 1060 CA GLU A 65 39.444-100.046 -23.660 1.00 34.34 C ATOM 1061 C GLU A 65 39.441 -98.522 -23.581 1.00 35.33 C ATOM 1062 O GLU A 65 38.417 -97.881 -23.816 1.00 20.20 O ATOM 1063 CB GLU A 65 40.816-100.541 -24.122 1.00 75.23 C ATOM 1064 CG GLU A 65 41.768-100.851 -22.980 1.00 1.53 C ATOM 1065 CD GLU A 65 43.208-100.974 -23.438 1.00 3.30 C ATOM 1066 OE1 GLU A 65 43.959-101.764 -22.828 1.00 32.01 O ATOM 1067 OE2 GLU A 65 43.585-100.280 -24.406 1.00 20.34 O ATOM 0 H GLU A 65 37.768-101.208 -24.151 1.00 71.22 H new ATOM 0 HA GLU A 65 39.238-100.445 -22.667 1.00 34.34 H new ATOM 0 HB2 GLU A 65 40.684-101.438 -24.727 1.00 75.23 H new ATOM 0 HB3 GLU A 65 41.268 -99.786 -24.765 1.00 75.23 H new ATOM 0 HG2 GLU A 65 41.696-100.065 -22.228 1.00 1.53 H new ATOM 0 HG3 GLU A 65 41.463-101.781 -22.500 1.00 1.53 H new TER 1074 GLU A 65