USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 308 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: B 15 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: B 19 THR OG1 : rot 59:sc= 1.3 USER MOD Single : B 1 ARG N :NH3+ -161:sc= -0.0328 (180deg=-0.401) USER MOD Single : B 3 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.25) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot 66:sc= 0.137 USER MOD Single : B 10 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.8) USER MOD Single : B 20 SER OG : rot 52:sc= 1.2 USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 106:sc= 1.29 USER MOD Single : B 32 CYS SG : rot -46:sc= -0.136 USER MOD Single : B 35 LYS NZ :NH3+ 158:sc= 1.04 (180deg=0.787) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG B 1 -3.137 33.411 6.293 1.00 1.95 N ATOM 2 CA ARG B 1 -3.728 33.992 5.053 1.00 1.95 C ATOM 3 C ARG B 1 -3.215 33.272 3.806 1.00 1.64 C ATOM 4 O ARG B 1 -2.009 33.100 3.644 1.00 1.42 O ATOM 5 CB ARG B 1 -3.362 35.478 4.990 1.00 2.10 C ATOM 6 CG ARG B 1 -3.947 36.302 6.127 1.00 2.43 C ATOM 7 CD ARG B 1 -3.464 37.746 6.080 1.00 2.59 C ATOM 8 NE ARG B 1 -3.812 38.407 4.824 1.00 2.70 N ATOM 9 CZ ARG B 1 -3.486 39.650 4.537 1.00 2.91 C ATOM 10 NH1 ARG B 1 -2.815 40.371 5.396 1.00 2.99 N ATOM 11 NH2 ARG B 1 -3.834 40.171 3.390 1.00 3.07 N ATOM 0 H1 ARG B 1 -3.719 33.678 7.113 1.00 1.95 H new ATOM 0 H2 ARG B 1 -3.109 32.375 6.211 1.00 1.95 H new ATOM 0 H3 ARG B 1 -2.171 33.775 6.421 1.00 1.95 H new ATOM 0 HA ARG B 1 -4.811 33.870 5.081 1.00 1.95 H new ATOM 0 HB2 ARG B 1 -2.277 35.576 5.003 1.00 2.10 H new ATOM 0 HB3 ARG B 1 -3.708 35.888 4.041 1.00 2.10 H new ATOM 0 HG2 ARG B 1 -5.035 36.280 6.070 1.00 2.43 H new ATOM 0 HG3 ARG B 1 -3.668 35.855 7.081 1.00 2.43 H new ATOM 0 HD2 ARG B 1 -3.899 38.300 6.912 1.00 2.59 H new ATOM 0 HD3 ARG B 1 -2.382 37.769 6.213 1.00 2.59 H new ATOM 0 HE ARG B 1 -4.337 37.875 4.130 1.00 2.70 H new ATOM 0 HH11 ARG B 1 -2.541 39.971 6.294 1.00 2.99 H new ATOM 0 HH12 ARG B 1 -2.565 41.333 5.169 1.00 2.99 H new ATOM 0 HH21 ARG B 1 -4.359 39.615 2.715 1.00 3.07 H new ATOM 0 HH22 ARG B 1 -3.581 41.134 3.169 1.00 3.07 H new ATOM 27 N ARG B 2 -4.141 32.848 2.935 1.00 1.68 N ATOM 28 CA ARG B 2 -3.792 32.132 1.697 1.00 1.44 C ATOM 29 C ARG B 2 -2.965 30.873 1.984 1.00 1.15 C ATOM 30 O ARG B 2 -3.137 30.223 3.017 1.00 1.23 O ATOM 31 CB ARG B 2 -3.032 33.060 0.736 1.00 1.46 C ATOM 32 CG ARG B 2 -3.887 34.171 0.143 1.00 1.80 C ATOM 33 CD ARG B 2 -4.823 33.647 -0.941 1.00 1.90 C ATOM 34 NE ARG B 2 -4.086 33.116 -2.086 1.00 1.78 N ATOM 35 CZ ARG B 2 -4.650 32.632 -3.174 1.00 1.88 C ATOM 36 NH1 ARG B 2 -5.952 32.627 -3.308 1.00 2.08 N ATOM 37 NH2 ARG B 2 -3.904 32.160 -4.138 1.00 1.85 N ATOM 0 H ARG B 2 -5.143 32.989 3.065 1.00 1.68 H new ATOM 0 HA ARG B 2 -4.723 31.817 1.226 1.00 1.44 H new ATOM 0 HB2 ARG B 2 -2.191 33.507 1.267 1.00 1.46 H new ATOM 0 HB3 ARG B 2 -2.616 32.463 -0.076 1.00 1.46 H new ATOM 0 HG2 ARG B 2 -4.473 34.640 0.933 1.00 1.80 H new ATOM 0 HG3 ARG B 2 -3.241 34.943 -0.276 1.00 1.80 H new ATOM 0 HD2 ARG B 2 -5.460 32.866 -0.525 1.00 1.90 H new ATOM 0 HD3 ARG B 2 -5.480 34.451 -1.273 1.00 1.90 H new ATOM 0 HE ARG B 2 -3.067 33.120 -2.040 1.00 1.78 H new ATOM 0 HH11 ARG B 2 -6.543 33.001 -2.565 1.00 2.08 H new ATOM 0 HH12 ARG B 2 -6.376 32.249 -4.155 1.00 2.08 H new ATOM 0 HH21 ARG B 2 -2.888 32.167 -4.047 1.00 1.85 H new ATOM 0 HH22 ARG B 2 -4.338 31.785 -4.981 1.00 1.85 H new ATOM 51 N LYS B 3 -2.066 30.545 1.064 1.00 0.93 N ATOM 52 CA LYS B 3 -1.201 29.374 1.203 1.00 0.71 C ATOM 53 C LYS B 3 -0.105 29.383 0.133 1.00 0.65 C ATOM 54 O LYS B 3 -0.324 29.860 -0.983 1.00 0.77 O ATOM 55 CB LYS B 3 -2.014 28.075 1.106 1.00 0.72 C ATOM 56 CG LYS B 3 -2.630 27.824 -0.262 1.00 0.66 C ATOM 57 CD LYS B 3 -3.221 26.428 -0.353 1.00 0.69 C ATOM 58 CE LYS B 3 -3.713 26.116 -1.757 1.00 0.68 C ATOM 59 NZ LYS B 3 -4.136 24.695 -1.890 1.00 0.74 N ATOM 0 H LYS B 3 -1.915 31.076 0.207 1.00 0.93 H new ATOM 0 HA LYS B 3 -0.735 29.419 2.187 1.00 0.71 H new ATOM 0 HB2 LYS B 3 -1.367 27.235 1.360 1.00 0.72 H new ATOM 0 HB3 LYS B 3 -2.810 28.101 1.851 1.00 0.72 H new ATOM 0 HG2 LYS B 3 -3.407 28.564 -0.454 1.00 0.66 H new ATOM 0 HG3 LYS B 3 -1.871 27.951 -1.034 1.00 0.66 H new ATOM 0 HD2 LYS B 3 -2.470 25.695 -0.059 1.00 0.69 H new ATOM 0 HD3 LYS B 3 -4.048 26.336 0.351 1.00 0.69 H new ATOM 0 HE2 LYS B 3 -4.550 26.769 -2.003 1.00 0.68 H new ATOM 0 HE3 LYS B 3 -2.921 26.329 -2.475 1.00 0.68 H new ATOM 0 HZ1 LYS B 3 -4.481 24.524 -2.856 1.00 0.74 H new ATOM 0 HZ2 LYS B 3 -3.326 24.072 -1.697 1.00 0.74 H new ATOM 0 HZ3 LYS B 3 -4.897 24.494 -1.210 1.00 0.74 H new ATOM 73 N PRO B 4 1.092 28.865 0.462 1.00 0.69 N ATOM 74 CA PRO B 4 2.222 28.814 -0.477 1.00 0.89 C ATOM 75 C PRO B 4 2.024 27.771 -1.588 1.00 0.90 C ATOM 76 O PRO B 4 0.922 27.606 -2.111 1.00 0.76 O ATOM 77 CB PRO B 4 3.406 28.441 0.419 1.00 1.09 C ATOM 78 CG PRO B 4 2.806 27.710 1.570 1.00 1.03 C ATOM 79 CD PRO B 4 1.437 28.296 1.779 1.00 0.80 C ATOM 0 HA PRO B 4 2.354 29.756 -1.009 1.00 0.89 H new ATOM 0 HB2 PRO B 4 4.123 27.816 -0.114 1.00 1.09 H new ATOM 0 HB3 PRO B 4 3.943 29.329 0.753 1.00 1.09 H new ATOM 0 HG2 PRO B 4 2.743 26.642 1.362 1.00 1.03 H new ATOM 0 HG3 PRO B 4 3.418 27.825 2.465 1.00 1.03 H new ATOM 0 HD2 PRO B 4 0.719 27.536 2.087 1.00 0.80 H new ATOM 0 HD3 PRO B 4 1.444 29.061 2.556 1.00 0.80 H new ATOM 87 N LEU B 5 3.094 27.072 -1.948 1.00 1.11 N ATOM 88 CA LEU B 5 3.035 26.049 -3.002 1.00 1.19 C ATOM 89 C LEU B 5 2.301 24.775 -2.544 1.00 1.08 C ATOM 90 O LEU B 5 2.730 23.658 -2.833 1.00 1.27 O ATOM 91 CB LEU B 5 4.448 25.689 -3.488 1.00 1.53 C ATOM 92 CG LEU B 5 5.151 26.743 -4.359 1.00 1.74 C ATOM 93 CD1 LEU B 5 4.252 27.183 -5.505 1.00 1.70 C ATOM 94 CD2 LEU B 5 5.592 27.941 -3.531 1.00 1.80 C ATOM 0 H LEU B 5 4.017 27.190 -1.529 1.00 1.11 H new ATOM 0 HA LEU B 5 2.466 26.480 -3.825 1.00 1.19 H new ATOM 0 HB2 LEU B 5 5.072 25.493 -2.616 1.00 1.53 H new ATOM 0 HB3 LEU B 5 4.390 24.759 -4.054 1.00 1.53 H new ATOM 0 HG LEU B 5 6.045 26.282 -4.780 1.00 1.74 H new ATOM 0 HD11 LEU B 5 4.770 27.929 -6.108 1.00 1.70 H new ATOM 0 HD12 LEU B 5 4.006 26.322 -6.126 1.00 1.70 H new ATOM 0 HD13 LEU B 5 3.335 27.614 -5.103 1.00 1.70 H new ATOM 0 HD21 LEU B 5 6.086 28.668 -4.176 1.00 1.80 H new ATOM 0 HD22 LEU B 5 4.721 28.402 -3.065 1.00 1.80 H new ATOM 0 HD23 LEU B 5 6.286 27.613 -2.757 1.00 1.80 H new ATOM 106 N PHE B 6 1.181 24.952 -1.851 1.00 0.86 N ATOM 107 CA PHE B 6 0.373 23.832 -1.368 1.00 0.86 C ATOM 108 C PHE B 6 -0.630 23.374 -2.432 1.00 0.74 C ATOM 109 O PHE B 6 -1.835 23.293 -2.176 1.00 0.67 O ATOM 110 CB PHE B 6 -0.366 24.216 -0.083 1.00 0.84 C ATOM 111 CG PHE B 6 0.460 24.094 1.170 1.00 1.08 C ATOM 112 CD1 PHE B 6 1.821 24.360 1.161 1.00 1.21 C ATOM 113 CD2 PHE B 6 -0.133 23.709 2.362 1.00 1.30 C ATOM 114 CE1 PHE B 6 2.573 24.244 2.315 1.00 1.45 C ATOM 115 CE2 PHE B 6 0.613 23.593 3.520 1.00 1.54 C ATOM 116 CZ PHE B 6 1.967 23.860 3.496 1.00 1.59 C ATOM 0 H PHE B 6 0.807 25.869 -1.608 1.00 0.86 H new ATOM 0 HA PHE B 6 1.048 23.004 -1.154 1.00 0.86 H new ATOM 0 HB2 PHE B 6 -0.717 25.244 -0.174 1.00 0.84 H new ATOM 0 HB3 PHE B 6 -1.249 23.585 0.016 1.00 0.84 H new ATOM 0 HD1 PHE B 6 2.299 24.662 0.241 1.00 1.21 H new ATOM 0 HD2 PHE B 6 -1.192 23.497 2.387 1.00 1.30 H new ATOM 0 HE1 PHE B 6 3.632 24.453 2.294 1.00 1.45 H new ATOM 0 HE2 PHE B 6 0.137 23.294 4.442 1.00 1.54 H new ATOM 0 HZ PHE B 6 2.552 23.769 4.399 1.00 1.59 H new ATOM 126 N TYR B 7 -0.130 23.079 -3.626 1.00 0.83 N ATOM 127 CA TYR B 7 -0.975 22.629 -4.734 1.00 0.78 C ATOM 128 C TYR B 7 -1.288 21.127 -4.645 1.00 0.84 C ATOM 129 O TYR B 7 -1.442 20.450 -5.661 1.00 0.89 O ATOM 130 CB TYR B 7 -0.296 22.957 -6.069 1.00 0.90 C ATOM 131 CG TYR B 7 1.196 22.684 -6.091 1.00 1.09 C ATOM 132 CD1 TYR B 7 1.704 21.428 -5.774 1.00 1.21 C ATOM 133 CD2 TYR B 7 2.097 23.689 -6.420 1.00 1.21 C ATOM 134 CE1 TYR B 7 3.062 21.183 -5.786 1.00 1.42 C ATOM 135 CE2 TYR B 7 3.458 23.450 -6.435 1.00 1.40 C ATOM 136 CZ TYR B 7 3.935 22.197 -6.117 1.00 1.50 C ATOM 137 OH TYR B 7 5.288 21.956 -6.127 1.00 1.71 O ATOM 0 H TYR B 7 0.862 23.143 -3.856 1.00 0.83 H new ATOM 0 HA TYR B 7 -1.925 23.160 -4.669 1.00 0.78 H new ATOM 0 HB2 TYR B 7 -0.772 22.376 -6.859 1.00 0.90 H new ATOM 0 HB3 TYR B 7 -0.465 24.008 -6.301 1.00 0.90 H new ATOM 0 HD1 TYR B 7 1.023 20.631 -5.514 1.00 1.21 H new ATOM 0 HD2 TYR B 7 1.728 24.673 -6.668 1.00 1.21 H new ATOM 0 HE1 TYR B 7 3.439 20.202 -5.537 1.00 1.42 H new ATOM 0 HE2 TYR B 7 4.145 24.242 -6.695 1.00 1.40 H new ATOM 0 HH TYR B 7 5.764 22.774 -6.382 1.00 1.71 H new ATOM 147 N THR B 8 -1.392 20.619 -3.422 1.00 0.87 N ATOM 148 CA THR B 8 -1.691 19.203 -3.184 1.00 0.97 C ATOM 149 C THR B 8 -3.183 18.897 -3.355 1.00 0.92 C ATOM 150 O THR B 8 -3.835 18.401 -2.436 1.00 1.01 O ATOM 151 CB THR B 8 -1.252 18.775 -1.769 1.00 1.10 C ATOM 152 OG1 THR B 8 -1.887 19.603 -0.787 1.00 1.07 O ATOM 153 CG2 THR B 8 0.261 18.870 -1.618 1.00 1.19 C ATOM 0 H THR B 8 -1.273 21.168 -2.571 1.00 0.87 H new ATOM 0 HA THR B 8 -1.130 18.638 -3.929 1.00 0.97 H new ATOM 0 HB THR B 8 -1.552 17.738 -1.619 1.00 1.10 H new ATOM 0 HG1 THR B 8 -2.854 19.447 -0.803 1.00 1.07 H new ATOM 0 HG21 THR B 8 0.546 18.563 -0.612 1.00 1.19 H new ATOM 0 HG22 THR B 8 0.741 18.217 -2.346 1.00 1.19 H new ATOM 0 HG23 THR B 8 0.580 19.898 -1.788 1.00 1.19 H new ATOM 161 N ILE B 9 -3.720 19.209 -4.529 1.00 0.84 N ATOM 162 CA ILE B 9 -5.138 18.979 -4.815 1.00 0.83 C ATOM 163 C ILE B 9 -5.419 17.528 -5.256 1.00 0.80 C ATOM 164 O ILE B 9 -6.492 16.987 -4.981 1.00 0.82 O ATOM 165 CB ILE B 9 -5.658 19.975 -5.883 1.00 0.85 C ATOM 166 CG1 ILE B 9 -7.157 19.782 -6.134 1.00 0.89 C ATOM 167 CG2 ILE B 9 -4.879 19.841 -7.184 1.00 0.86 C ATOM 168 CD1 ILE B 9 -8.022 20.114 -4.936 1.00 0.96 C ATOM 0 H ILE B 9 -3.197 19.622 -5.301 1.00 0.84 H new ATOM 0 HA ILE B 9 -5.677 19.148 -3.883 1.00 0.83 H new ATOM 0 HB ILE B 9 -5.504 20.982 -5.496 1.00 0.85 H new ATOM 0 HG12 ILE B 9 -7.459 20.407 -6.974 1.00 0.89 H new ATOM 0 HG13 ILE B 9 -7.337 18.747 -6.426 1.00 0.89 H new ATOM 0 HG21 ILE B 9 -5.266 20.552 -7.914 1.00 0.86 H new ATOM 0 HG22 ILE B 9 -3.825 20.047 -7.000 1.00 0.86 H new ATOM 0 HG23 ILE B 9 -4.988 18.828 -7.571 1.00 0.86 H new ATOM 0 HD11 ILE B 9 -9.070 19.954 -5.188 1.00 0.96 H new ATOM 0 HD12 ILE B 9 -7.748 19.471 -4.100 1.00 0.96 H new ATOM 0 HD13 ILE B 9 -7.872 21.157 -4.656 1.00 0.96 H new ATOM 180 N ASN B 10 -4.459 16.907 -5.946 1.00 0.78 N ATOM 181 CA ASN B 10 -4.613 15.528 -6.436 1.00 0.79 C ATOM 182 C ASN B 10 -4.580 14.483 -5.307 1.00 0.79 C ATOM 183 O ASN B 10 -3.776 13.552 -5.338 1.00 0.78 O ATOM 184 CB ASN B 10 -3.525 15.206 -7.463 1.00 0.81 C ATOM 185 CG ASN B 10 -3.675 16.004 -8.743 1.00 0.85 C ATOM 186 OD1 ASN B 10 -3.590 17.226 -8.741 1.00 0.87 O ATOM 187 ND2 ASN B 10 -3.902 15.315 -9.848 1.00 0.90 N ATOM 0 H ASN B 10 -3.564 17.336 -6.180 1.00 0.78 H new ATOM 0 HA ASN B 10 -5.597 15.472 -6.901 1.00 0.79 H new ATOM 0 HB2 ASN B 10 -2.547 15.408 -7.026 1.00 0.81 H new ATOM 0 HB3 ASN B 10 -3.556 14.142 -7.697 1.00 0.81 H new ATOM 0 HD21 ASN B 10 -4.013 15.801 -10.738 1.00 0.90 H new ATOM 0 HD22 ASN B 10 -3.966 14.298 -9.811 1.00 0.90 H new ATOM 194 N LEU B 11 -5.468 14.634 -4.325 1.00 0.83 N ATOM 195 CA LEU B 11 -5.554 13.703 -3.193 1.00 0.87 C ATOM 196 C LEU B 11 -5.972 12.294 -3.642 1.00 0.81 C ATOM 197 O LEU B 11 -5.720 11.307 -2.948 1.00 0.83 O ATOM 198 CB LEU B 11 -6.542 14.231 -2.151 1.00 0.97 C ATOM 199 CG LEU B 11 -6.172 15.580 -1.530 1.00 1.06 C ATOM 200 CD1 LEU B 11 -7.261 16.045 -0.577 1.00 1.19 C ATOM 201 CD2 LEU B 11 -4.836 15.487 -0.808 1.00 1.10 C ATOM 0 H LEU B 11 -6.144 15.397 -4.288 1.00 0.83 H new ATOM 0 HA LEU B 11 -4.560 13.631 -2.751 1.00 0.87 H new ATOM 0 HB2 LEU B 11 -7.524 14.320 -2.616 1.00 0.97 H new ATOM 0 HB3 LEU B 11 -6.633 13.494 -1.353 1.00 0.97 H new ATOM 0 HG LEU B 11 -6.080 16.313 -2.331 1.00 1.06 H new ATOM 0 HD11 LEU B 11 -6.981 17.006 -0.145 1.00 1.19 H new ATOM 0 HD12 LEU B 11 -8.199 16.152 -1.121 1.00 1.19 H new ATOM 0 HD13 LEU B 11 -7.385 15.311 0.220 1.00 1.19 H new ATOM 0 HD21 LEU B 11 -4.589 16.455 -0.373 1.00 1.10 H new ATOM 0 HD22 LEU B 11 -4.901 14.740 -0.017 1.00 1.10 H new ATOM 0 HD23 LEU B 11 -4.059 15.199 -1.516 1.00 1.10 H new ATOM 213 N ILE B 12 -6.611 12.212 -4.806 1.00 0.77 N ATOM 214 CA ILE B 12 -7.063 10.936 -5.355 1.00 0.75 C ATOM 215 C ILE B 12 -5.889 9.980 -5.632 1.00 0.69 C ATOM 216 O ILE B 12 -6.022 8.768 -5.468 1.00 0.67 O ATOM 217 CB ILE B 12 -7.892 11.148 -6.649 1.00 0.75 C ATOM 218 CG1 ILE B 12 -8.409 9.814 -7.196 1.00 0.79 C ATOM 219 CG2 ILE B 12 -7.075 11.879 -7.708 1.00 0.71 C ATOM 220 CD1 ILE B 12 -9.383 9.114 -6.270 1.00 0.88 C ATOM 0 H ILE B 12 -6.829 13.019 -5.390 1.00 0.77 H new ATOM 0 HA ILE B 12 -7.700 10.476 -4.599 1.00 0.75 H new ATOM 0 HB ILE B 12 -8.752 11.767 -6.394 1.00 0.75 H new ATOM 0 HG12 ILE B 12 -8.895 9.989 -8.156 1.00 0.79 H new ATOM 0 HG13 ILE B 12 -7.561 9.155 -7.383 1.00 0.79 H new ATOM 0 HG21 ILE B 12 -7.680 12.015 -8.605 1.00 0.71 H new ATOM 0 HG22 ILE B 12 -6.771 12.853 -7.325 1.00 0.71 H new ATOM 0 HG23 ILE B 12 -6.189 11.293 -7.953 1.00 0.71 H new ATOM 0 HD11 ILE B 12 -9.706 8.177 -6.723 1.00 0.88 H new ATOM 0 HD12 ILE B 12 -8.895 8.907 -5.318 1.00 0.88 H new ATOM 0 HD13 ILE B 12 -10.249 9.754 -6.102 1.00 0.88 H new ATOM 232 N ILE B 13 -4.739 10.525 -6.045 1.00 0.66 N ATOM 233 CA ILE B 13 -3.560 9.700 -6.337 1.00 0.62 C ATOM 234 C ILE B 13 -3.072 8.933 -5.091 1.00 0.60 C ATOM 235 O ILE B 13 -3.103 7.698 -5.074 1.00 0.55 O ATOM 236 CB ILE B 13 -2.407 10.543 -6.933 1.00 0.64 C ATOM 237 CG1 ILE B 13 -2.862 11.219 -8.232 1.00 0.67 C ATOM 238 CG2 ILE B 13 -1.183 9.673 -7.182 1.00 0.62 C ATOM 239 CD1 ILE B 13 -1.814 12.122 -8.849 1.00 0.70 C ATOM 0 H ILE B 13 -4.599 11.526 -6.184 1.00 0.66 H new ATOM 0 HA ILE B 13 -3.870 8.969 -7.083 1.00 0.62 H new ATOM 0 HB ILE B 13 -2.135 11.317 -6.216 1.00 0.64 H new ATOM 0 HG12 ILE B 13 -3.137 10.450 -8.954 1.00 0.67 H new ATOM 0 HG13 ILE B 13 -3.760 11.804 -8.032 1.00 0.67 H new ATOM 0 HG21 ILE B 13 -0.382 10.283 -7.601 1.00 0.62 H new ATOM 0 HG22 ILE B 13 -0.851 9.235 -6.241 1.00 0.62 H new ATOM 0 HG23 ILE B 13 -1.438 8.878 -7.882 1.00 0.62 H new ATOM 0 HD11 ILE B 13 -2.208 12.564 -9.764 1.00 0.70 H new ATOM 0 HD12 ILE B 13 -1.556 12.913 -8.145 1.00 0.70 H new ATOM 0 HD13 ILE B 13 -0.923 11.539 -9.082 1.00 0.70 H new ATOM 251 N PRO B 14 -2.629 9.631 -4.014 1.00 0.66 N ATOM 252 CA PRO B 14 -2.175 8.961 -2.790 1.00 0.66 C ATOM 253 C PRO B 14 -3.242 8.012 -2.243 1.00 0.63 C ATOM 254 O PRO B 14 -2.938 6.900 -1.812 1.00 0.60 O ATOM 255 CB PRO B 14 -1.913 10.111 -1.805 1.00 0.76 C ATOM 256 CG PRO B 14 -2.571 11.308 -2.405 1.00 0.80 C ATOM 257 CD PRO B 14 -2.545 11.095 -3.889 1.00 0.73 C ATOM 0 HA PRO B 14 -1.293 8.345 -2.964 1.00 0.66 H new ATOM 0 HB2 PRO B 14 -2.327 9.887 -0.822 1.00 0.76 H new ATOM 0 HB3 PRO B 14 -0.844 10.277 -1.671 1.00 0.76 H new ATOM 0 HG2 PRO B 14 -3.594 11.413 -2.044 1.00 0.80 H new ATOM 0 HG3 PRO B 14 -2.042 12.221 -2.133 1.00 0.80 H new ATOM 0 HD2 PRO B 14 -3.381 11.591 -4.383 1.00 0.73 H new ATOM 0 HD3 PRO B 14 -1.632 11.487 -4.337 1.00 0.73 H new ATOM 265 N CYS B 15 -4.499 8.451 -2.295 1.00 0.66 N ATOM 266 CA CYS B 15 -5.616 7.638 -1.828 1.00 0.66 C ATOM 267 C CYS B 15 -5.753 6.346 -2.644 1.00 0.57 C ATOM 268 O CYS B 15 -5.878 5.261 -2.076 1.00 0.55 O ATOM 269 CB CYS B 15 -6.923 8.432 -1.902 1.00 0.73 C ATOM 270 SG CYS B 15 -8.377 7.514 -1.346 1.00 0.77 S ATOM 0 H CYS B 15 -4.767 9.366 -2.657 1.00 0.66 H new ATOM 0 HA CYS B 15 -5.412 7.369 -0.792 1.00 0.66 H new ATOM 0 HB2 CYS B 15 -6.823 9.333 -1.297 1.00 0.73 H new ATOM 0 HB3 CYS B 15 -7.082 8.754 -2.931 1.00 0.73 H new ATOM 0 HG CYS B 15 -9.431 8.269 -1.444 1.00 0.77 H new ATOM 276 N VAL B 16 -5.732 6.458 -3.974 1.00 0.55 N ATOM 277 CA VAL B 16 -5.866 5.278 -4.826 1.00 0.48 C ATOM 278 C VAL B 16 -4.684 4.311 -4.661 1.00 0.41 C ATOM 279 O VAL B 16 -4.885 3.094 -4.640 1.00 0.37 O ATOM 280 CB VAL B 16 -6.074 5.637 -6.322 1.00 0.50 C ATOM 281 CG1 VAL B 16 -4.797 6.132 -6.975 1.00 0.49 C ATOM 282 CG2 VAL B 16 -6.637 4.446 -7.084 1.00 0.49 C ATOM 0 H VAL B 16 -5.625 7.339 -4.476 1.00 0.55 H new ATOM 0 HA VAL B 16 -6.769 4.770 -4.487 1.00 0.48 H new ATOM 0 HB VAL B 16 -6.794 6.454 -6.361 1.00 0.50 H new ATOM 0 HG11 VAL B 16 -4.992 6.371 -8.021 1.00 0.49 H new ATOM 0 HG12 VAL B 16 -4.447 7.025 -6.458 1.00 0.49 H new ATOM 0 HG13 VAL B 16 -4.034 5.356 -6.916 1.00 0.49 H new ATOM 0 HG21 VAL B 16 -6.776 4.717 -8.131 1.00 0.49 H new ATOM 0 HG22 VAL B 16 -5.943 3.609 -7.015 1.00 0.49 H new ATOM 0 HG23 VAL B 16 -7.596 4.159 -6.653 1.00 0.49 H new ATOM 292 N LEU B 17 -3.452 4.826 -4.529 1.00 0.42 N ATOM 293 CA LEU B 17 -2.308 3.937 -4.359 1.00 0.39 C ATOM 294 C LEU B 17 -2.316 3.265 -2.979 1.00 0.38 C ATOM 295 O LEU B 17 -2.079 2.061 -2.883 1.00 0.34 O ATOM 296 CB LEU B 17 -0.982 4.659 -4.645 1.00 0.45 C ATOM 297 CG LEU B 17 -0.747 5.973 -3.903 1.00 0.52 C ATOM 298 CD1 LEU B 17 -0.005 5.732 -2.599 1.00 0.55 C ATOM 299 CD2 LEU B 17 0.019 6.942 -4.788 1.00 0.58 C ATOM 0 H LEU B 17 -3.232 5.822 -4.537 1.00 0.42 H new ATOM 0 HA LEU B 17 -2.399 3.142 -5.099 1.00 0.39 H new ATOM 0 HB2 LEU B 17 -0.165 3.980 -4.403 1.00 0.45 H new ATOM 0 HB3 LEU B 17 -0.925 4.857 -5.715 1.00 0.45 H new ATOM 0 HG LEU B 17 -1.714 6.413 -3.661 1.00 0.52 H new ATOM 0 HD11 LEU B 17 0.151 6.682 -2.088 1.00 0.55 H new ATOM 0 HD12 LEU B 17 -0.593 5.070 -1.963 1.00 0.55 H new ATOM 0 HD13 LEU B 17 0.960 5.271 -2.809 1.00 0.55 H new ATOM 0 HD21 LEU B 17 0.181 7.876 -4.250 1.00 0.58 H new ATOM 0 HD22 LEU B 17 0.981 6.506 -5.057 1.00 0.58 H new ATOM 0 HD23 LEU B 17 -0.555 7.140 -5.693 1.00 0.58 H new ATOM 311 N ILE B 18 -2.623 4.013 -1.909 1.00 0.45 N ATOM 312 CA ILE B 18 -2.677 3.403 -0.578 1.00 0.47 C ATOM 313 C ILE B 18 -3.824 2.394 -0.506 1.00 0.42 C ATOM 314 O ILE B 18 -3.687 1.335 0.105 1.00 0.40 O ATOM 315 CB ILE B 18 -2.765 4.433 0.582 1.00 0.57 C ATOM 316 CG1 ILE B 18 -4.042 5.271 0.525 1.00 0.61 C ATOM 317 CG2 ILE B 18 -1.541 5.335 0.588 1.00 0.63 C ATOM 318 CD1 ILE B 18 -5.187 4.668 1.303 1.00 0.64 C ATOM 0 H ILE B 18 -2.831 5.011 -1.937 1.00 0.45 H new ATOM 0 HA ILE B 18 -1.728 2.886 -0.436 1.00 0.47 H new ATOM 0 HB ILE B 18 -2.796 3.863 1.511 1.00 0.57 H new ATOM 0 HG12 ILE B 18 -3.832 6.267 0.914 1.00 0.61 H new ATOM 0 HG13 ILE B 18 -4.343 5.392 -0.516 1.00 0.61 H new ATOM 0 HG21 ILE B 18 -1.620 6.050 1.407 1.00 0.63 H new ATOM 0 HG22 ILE B 18 -0.644 4.730 0.720 1.00 0.63 H new ATOM 0 HG23 ILE B 18 -1.481 5.873 -0.358 1.00 0.63 H new ATOM 0 HD11 ILE B 18 -6.062 5.313 1.221 1.00 0.64 H new ATOM 0 HD12 ILE B 18 -5.423 3.683 0.899 1.00 0.64 H new ATOM 0 HD13 ILE B 18 -4.904 4.572 2.351 1.00 0.64 H new ATOM 330 N THR B 19 -4.945 2.709 -1.161 1.00 0.44 N ATOM 331 CA THR B 19 -6.094 1.803 -1.188 1.00 0.43 C ATOM 332 C THR B 19 -5.739 0.525 -1.948 1.00 0.35 C ATOM 333 O THR B 19 -6.013 -0.584 -1.482 1.00 0.34 O ATOM 334 CB THR B 19 -7.331 2.459 -1.847 1.00 0.50 C ATOM 335 OG1 THR B 19 -7.678 3.666 -1.157 1.00 0.59 O ATOM 336 CG2 THR B 19 -8.525 1.514 -1.837 1.00 0.54 C ATOM 0 H THR B 19 -5.080 3.579 -1.676 1.00 0.44 H new ATOM 0 HA THR B 19 -6.343 1.566 -0.154 1.00 0.43 H new ATOM 0 HB THR B 19 -7.074 2.688 -2.881 1.00 0.50 H new ATOM 0 HG1 THR B 19 -6.919 4.286 -1.180 1.00 0.59 H new ATOM 0 HG21 THR B 19 -9.379 2.002 -2.306 1.00 0.54 H new ATOM 0 HG22 THR B 19 -8.276 0.608 -2.389 1.00 0.54 H new ATOM 0 HG23 THR B 19 -8.775 1.255 -0.808 1.00 0.54 H new ATOM 344 N SER B 20 -5.108 0.690 -3.114 1.00 0.32 N ATOM 345 CA SER B 20 -4.694 -0.449 -3.938 1.00 0.28 C ATOM 346 C SER B 20 -3.713 -1.341 -3.181 1.00 0.24 C ATOM 347 O SER B 20 -3.917 -2.551 -3.084 1.00 0.25 O ATOM 348 CB SER B 20 -4.051 0.031 -5.243 1.00 0.31 C ATOM 349 OG SER B 20 -4.946 0.836 -5.991 1.00 0.35 O ATOM 0 H SER B 20 -4.873 1.601 -3.508 1.00 0.32 H new ATOM 0 HA SER B 20 -5.587 -1.029 -4.174 1.00 0.28 H new ATOM 0 HB2 SER B 20 -3.148 0.599 -5.019 1.00 0.31 H new ATOM 0 HB3 SER B 20 -3.747 -0.829 -5.839 1.00 0.31 H new ATOM 0 HG SER B 20 -5.297 1.551 -5.421 1.00 0.35 H new ATOM 355 N LEU B 21 -2.657 -0.736 -2.631 1.00 0.24 N ATOM 356 CA LEU B 21 -1.660 -1.487 -1.868 1.00 0.25 C ATOM 357 C LEU B 21 -2.298 -2.183 -0.665 1.00 0.23 C ATOM 358 O LEU B 21 -2.047 -3.370 -0.422 1.00 0.25 O ATOM 359 CB LEU B 21 -0.522 -0.569 -1.405 1.00 0.33 C ATOM 360 CG LEU B 21 0.660 -0.448 -2.375 1.00 0.39 C ATOM 361 CD1 LEU B 21 1.277 -1.813 -2.629 1.00 0.47 C ATOM 362 CD2 LEU B 21 0.230 0.194 -3.686 1.00 0.38 C ATOM 0 H LEU B 21 -2.472 0.265 -2.700 1.00 0.24 H new ATOM 0 HA LEU B 21 -1.246 -2.250 -2.527 1.00 0.25 H new ATOM 0 HB2 LEU B 21 -0.929 0.427 -1.229 1.00 0.33 H new ATOM 0 HB3 LEU B 21 -0.149 -0.934 -0.448 1.00 0.33 H new ATOM 0 HG LEU B 21 1.410 0.196 -1.916 1.00 0.39 H new ATOM 0 HD11 LEU B 21 2.114 -1.711 -3.319 1.00 0.47 H new ATOM 0 HD12 LEU B 21 1.632 -2.233 -1.688 1.00 0.47 H new ATOM 0 HD13 LEU B 21 0.528 -2.476 -3.063 1.00 0.47 H new ATOM 0 HD21 LEU B 21 1.088 0.267 -4.354 1.00 0.38 H new ATOM 0 HD22 LEU B 21 -0.543 -0.416 -4.153 1.00 0.38 H new ATOM 0 HD23 LEU B 21 -0.164 1.192 -3.491 1.00 0.38 H new ATOM 374 N ALA B 22 -3.140 -1.456 0.078 1.00 0.26 N ATOM 375 CA ALA B 22 -3.816 -2.038 1.234 1.00 0.30 C ATOM 376 C ALA B 22 -4.616 -3.263 0.825 1.00 0.30 C ATOM 377 O ALA B 22 -4.362 -4.340 1.321 1.00 0.33 O ATOM 378 CB ALA B 22 -4.718 -1.031 1.927 1.00 0.37 C ATOM 0 H ALA B 22 -3.365 -0.477 -0.100 1.00 0.26 H new ATOM 0 HA ALA B 22 -3.045 -2.337 1.944 1.00 0.30 H new ATOM 0 HB1 ALA B 22 -5.202 -1.504 2.782 1.00 0.37 H new ATOM 0 HB2 ALA B 22 -4.123 -0.185 2.270 1.00 0.37 H new ATOM 0 HB3 ALA B 22 -5.477 -0.681 1.228 1.00 0.37 H new ATOM 384 N ILE B 23 -5.552 -3.101 -0.109 1.00 0.31 N ATOM 385 CA ILE B 23 -6.357 -4.232 -0.593 1.00 0.36 C ATOM 386 C ILE B 23 -5.459 -5.373 -1.089 1.00 0.36 C ATOM 387 O ILE B 23 -5.739 -6.539 -0.831 1.00 0.43 O ATOM 388 CB ILE B 23 -7.315 -3.787 -1.726 1.00 0.41 C ATOM 389 CG1 ILE B 23 -8.351 -2.798 -1.183 1.00 0.47 C ATOM 390 CG2 ILE B 23 -8.002 -4.987 -2.368 1.00 0.52 C ATOM 391 CD1 ILE B 23 -9.294 -2.261 -2.241 1.00 0.55 C ATOM 0 H ILE B 23 -5.774 -2.206 -0.546 1.00 0.31 H new ATOM 0 HA ILE B 23 -6.952 -4.594 0.246 1.00 0.36 H new ATOM 0 HB ILE B 23 -6.726 -3.290 -2.497 1.00 0.41 H new ATOM 0 HG12 ILE B 23 -8.935 -3.288 -0.404 1.00 0.47 H new ATOM 0 HG13 ILE B 23 -7.832 -1.962 -0.714 1.00 0.47 H new ATOM 0 HG21 ILE B 23 -8.668 -4.644 -3.160 1.00 0.52 H new ATOM 0 HG22 ILE B 23 -7.250 -5.654 -2.790 1.00 0.52 H new ATOM 0 HG23 ILE B 23 -8.579 -5.522 -1.614 1.00 0.52 H new ATOM 0 HD11 ILE B 23 -9.999 -1.567 -1.782 1.00 0.55 H new ATOM 0 HD12 ILE B 23 -8.721 -1.741 -3.009 1.00 0.55 H new ATOM 0 HD13 ILE B 23 -9.841 -3.088 -2.694 1.00 0.55 H new ATOM 403 N LEU B 24 -4.371 -5.031 -1.776 1.00 0.32 N ATOM 404 CA LEU B 24 -3.432 -6.039 -2.272 1.00 0.37 C ATOM 405 C LEU B 24 -2.907 -6.903 -1.117 1.00 0.39 C ATOM 406 O LEU B 24 -2.890 -8.130 -1.201 1.00 0.47 O ATOM 407 CB LEU B 24 -2.266 -5.361 -2.998 1.00 0.36 C ATOM 408 CG LEU B 24 -1.252 -6.303 -3.651 1.00 0.48 C ATOM 409 CD1 LEU B 24 -1.909 -7.104 -4.765 1.00 0.59 C ATOM 410 CD2 LEU B 24 -0.068 -5.514 -4.191 1.00 0.54 C ATOM 0 H LEU B 24 -4.117 -4.069 -2.002 1.00 0.32 H new ATOM 0 HA LEU B 24 -3.958 -6.686 -2.975 1.00 0.37 H new ATOM 0 HB2 LEU B 24 -2.673 -4.706 -3.768 1.00 0.36 H new ATOM 0 HB3 LEU B 24 -1.738 -4.727 -2.286 1.00 0.36 H new ATOM 0 HG LEU B 24 -0.889 -6.999 -2.894 1.00 0.48 H new ATOM 0 HD11 LEU B 24 -1.173 -7.768 -5.218 1.00 0.59 H new ATOM 0 HD12 LEU B 24 -2.727 -7.695 -4.354 1.00 0.59 H new ATOM 0 HD13 LEU B 24 -2.298 -6.423 -5.522 1.00 0.59 H new ATOM 0 HD21 LEU B 24 0.645 -6.198 -4.652 1.00 0.54 H new ATOM 0 HD22 LEU B 24 -0.417 -4.797 -4.934 1.00 0.54 H new ATOM 0 HD23 LEU B 24 0.418 -4.981 -3.373 1.00 0.54 H new ATOM 422 N VAL B 25 -2.494 -6.249 -0.032 1.00 0.33 N ATOM 423 CA VAL B 25 -1.985 -6.959 1.150 1.00 0.37 C ATOM 424 C VAL B 25 -3.126 -7.510 2.027 1.00 0.41 C ATOM 425 O VAL B 25 -3.071 -8.634 2.521 1.00 0.50 O ATOM 426 CB VAL B 25 -1.111 -6.018 2.010 1.00 0.35 C ATOM 427 CG1 VAL B 25 -0.687 -6.688 3.309 1.00 0.44 C ATOM 428 CG2 VAL B 25 0.104 -5.554 1.223 1.00 0.36 C ATOM 0 H VAL B 25 -2.500 -5.233 0.057 1.00 0.33 H new ATOM 0 HA VAL B 25 -1.391 -7.796 0.784 1.00 0.37 H new ATOM 0 HB VAL B 25 -1.712 -5.146 2.269 1.00 0.35 H new ATOM 0 HG11 VAL B 25 -0.074 -5.999 3.890 1.00 0.44 H new ATOM 0 HG12 VAL B 25 -1.572 -6.960 3.884 1.00 0.44 H new ATOM 0 HG13 VAL B 25 -0.111 -7.586 3.084 1.00 0.44 H new ATOM 0 HG21 VAL B 25 0.708 -4.892 1.843 1.00 0.36 H new ATOM 0 HG22 VAL B 25 0.699 -6.419 0.928 1.00 0.36 H new ATOM 0 HG23 VAL B 25 -0.223 -5.018 0.332 1.00 0.36 H new ATOM 438 N PHE B 26 -4.127 -6.672 2.233 1.00 0.39 N ATOM 439 CA PHE B 26 -5.290 -6.974 3.069 1.00 0.46 C ATOM 440 C PHE B 26 -6.162 -8.117 2.537 1.00 0.53 C ATOM 441 O PHE B 26 -6.583 -8.988 3.296 1.00 0.60 O ATOM 442 CB PHE B 26 -6.136 -5.697 3.193 1.00 0.46 C ATOM 443 CG PHE B 26 -5.594 -4.700 4.189 1.00 0.46 C ATOM 444 CD1 PHE B 26 -4.225 -4.569 4.392 1.00 0.46 C ATOM 445 CD2 PHE B 26 -6.451 -3.896 4.923 1.00 0.56 C ATOM 446 CE1 PHE B 26 -3.726 -3.660 5.302 1.00 0.50 C ATOM 447 CE2 PHE B 26 -5.956 -2.984 5.837 1.00 0.62 C ATOM 448 CZ PHE B 26 -4.592 -2.867 6.027 1.00 0.57 C ATOM 0 H PHE B 26 -4.161 -5.741 1.818 1.00 0.39 H new ATOM 0 HA PHE B 26 -4.915 -7.311 4.036 1.00 0.46 H new ATOM 0 HB2 PHE B 26 -6.202 -5.220 2.215 1.00 0.46 H new ATOM 0 HB3 PHE B 26 -7.150 -5.971 3.483 1.00 0.46 H new ATOM 0 HD1 PHE B 26 -3.542 -5.188 3.829 1.00 0.46 H new ATOM 0 HD2 PHE B 26 -7.518 -3.983 4.780 1.00 0.56 H new ATOM 0 HE1 PHE B 26 -2.660 -3.569 5.447 1.00 0.50 H new ATOM 0 HE2 PHE B 26 -6.635 -2.363 6.402 1.00 0.62 H new ATOM 0 HZ PHE B 26 -4.205 -2.156 6.742 1.00 0.57 H new ATOM 458 N TYR B 27 -6.468 -8.088 1.249 1.00 0.54 N ATOM 459 CA TYR B 27 -7.330 -9.102 0.643 1.00 0.63 C ATOM 460 C TYR B 27 -6.599 -10.420 0.348 1.00 0.68 C ATOM 461 O TYR B 27 -7.154 -11.496 0.574 1.00 0.79 O ATOM 462 CB TYR B 27 -7.976 -8.546 -0.629 1.00 0.64 C ATOM 463 CG TYR B 27 -9.207 -7.702 -0.372 1.00 0.67 C ATOM 464 CD1 TYR B 27 -9.222 -6.735 0.627 1.00 0.65 C ATOM 465 CD2 TYR B 27 -10.358 -7.874 -1.133 1.00 0.77 C ATOM 466 CE1 TYR B 27 -10.347 -5.966 0.860 1.00 0.71 C ATOM 467 CE2 TYR B 27 -11.486 -7.108 -0.906 1.00 0.81 C ATOM 468 CZ TYR B 27 -11.475 -6.156 0.091 1.00 0.78 C ATOM 469 OH TYR B 27 -12.597 -5.391 0.320 1.00 0.85 O ATOM 0 H TYR B 27 -6.134 -7.375 0.600 1.00 0.54 H new ATOM 0 HA TYR B 27 -8.103 -9.340 1.374 1.00 0.63 H new ATOM 0 HB2 TYR B 27 -7.241 -7.946 -1.166 1.00 0.64 H new ATOM 0 HB3 TYR B 27 -8.246 -9.377 -1.281 1.00 0.64 H new ATOM 0 HD1 TYR B 27 -8.340 -6.582 1.231 1.00 0.65 H new ATOM 0 HD2 TYR B 27 -10.371 -8.619 -1.915 1.00 0.77 H new ATOM 0 HE1 TYR B 27 -10.342 -5.220 1.641 1.00 0.71 H new ATOM 0 HE2 TYR B 27 -12.371 -7.255 -1.507 1.00 0.81 H new ATOM 0 HH TYR B 27 -13.303 -5.650 -0.308 1.00 0.85 H new ATOM 479 N LEU B 28 -5.373 -10.344 -0.164 1.00 0.65 N ATOM 480 CA LEU B 28 -4.611 -11.556 -0.484 1.00 0.72 C ATOM 481 C LEU B 28 -3.908 -12.137 0.748 1.00 0.73 C ATOM 482 O LEU B 28 -3.015 -11.516 1.323 1.00 0.69 O ATOM 483 CB LEU B 28 -3.581 -11.264 -1.576 1.00 0.72 C ATOM 484 CG LEU B 28 -4.162 -10.824 -2.921 1.00 0.75 C ATOM 485 CD1 LEU B 28 -3.046 -10.539 -3.912 1.00 0.79 C ATOM 486 CD2 LEU B 28 -5.104 -11.886 -3.471 1.00 0.88 C ATOM 0 H LEU B 28 -4.888 -9.470 -0.365 1.00 0.65 H new ATOM 0 HA LEU B 28 -5.324 -12.299 -0.842 1.00 0.72 H new ATOM 0 HB2 LEU B 28 -2.907 -10.486 -1.218 1.00 0.72 H new ATOM 0 HB3 LEU B 28 -2.979 -12.159 -1.734 1.00 0.72 H new ATOM 0 HG LEU B 28 -4.731 -9.907 -2.767 1.00 0.75 H new ATOM 0 HD11 LEU B 28 -3.476 -10.227 -4.864 1.00 0.79 H new ATOM 0 HD12 LEU B 28 -2.409 -9.744 -3.524 1.00 0.79 H new ATOM 0 HD13 LEU B 28 -2.452 -11.441 -4.060 1.00 0.79 H new ATOM 0 HD21 LEU B 28 -5.507 -11.555 -4.428 1.00 0.88 H new ATOM 0 HD22 LEU B 28 -4.558 -12.819 -3.611 1.00 0.88 H new ATOM 0 HD23 LEU B 28 -5.922 -12.046 -2.769 1.00 0.88 H new ATOM 498 N PRO B 29 -4.293 -13.358 1.162 1.00 0.82 N ATOM 499 CA PRO B 29 -3.697 -14.032 2.320 1.00 0.87 C ATOM 500 C PRO B 29 -2.392 -14.769 1.985 1.00 0.92 C ATOM 501 O PRO B 29 -2.229 -15.945 2.307 1.00 1.03 O ATOM 502 CB PRO B 29 -4.789 -15.019 2.725 1.00 1.00 C ATOM 503 CG PRO B 29 -5.483 -15.370 1.450 1.00 1.04 C ATOM 504 CD PRO B 29 -5.340 -14.181 0.529 1.00 0.93 C ATOM 0 HA PRO B 29 -3.410 -13.329 3.102 1.00 0.87 H new ATOM 0 HB2 PRO B 29 -4.365 -15.904 3.200 1.00 1.00 H new ATOM 0 HB3 PRO B 29 -5.479 -14.572 3.440 1.00 1.00 H new ATOM 0 HG2 PRO B 29 -5.041 -16.260 1.002 1.00 1.04 H new ATOM 0 HG3 PRO B 29 -6.534 -15.593 1.632 1.00 1.04 H new ATOM 0 HD2 PRO B 29 -5.052 -14.488 -0.476 1.00 0.93 H new ATOM 0 HD3 PRO B 29 -6.277 -13.632 0.438 1.00 0.93 H new ATOM 512 N SER B 30 -1.468 -14.068 1.332 1.00 0.86 N ATOM 513 CA SER B 30 -0.180 -14.653 0.950 1.00 0.94 C ATOM 514 C SER B 30 0.802 -14.679 2.122 1.00 0.92 C ATOM 515 O SER B 30 1.481 -15.679 2.358 1.00 1.01 O ATOM 516 CB SER B 30 0.438 -13.867 -0.213 1.00 0.94 C ATOM 517 OG SER B 30 0.656 -12.509 0.141 1.00 0.82 O ATOM 0 H SER B 30 -1.585 -13.093 1.055 1.00 0.86 H new ATOM 0 HA SER B 30 -0.371 -15.681 0.641 1.00 0.94 H new ATOM 0 HB2 SER B 30 1.383 -14.326 -0.503 1.00 0.94 H new ATOM 0 HB3 SER B 30 -0.221 -13.918 -1.080 1.00 0.94 H new ATOM 0 HG SER B 30 1.614 -12.357 0.279 1.00 0.82 H new ATOM 523 N ASP B 31 0.879 -13.564 2.840 1.00 0.80 N ATOM 524 CA ASP B 31 1.789 -13.431 3.978 1.00 0.79 C ATOM 525 C ASP B 31 1.338 -12.300 4.922 1.00 0.71 C ATOM 526 O ASP B 31 0.217 -12.324 5.428 1.00 0.72 O ATOM 527 CB ASP B 31 3.222 -13.190 3.481 1.00 0.83 C ATOM 528 CG ASP B 31 3.310 -12.052 2.481 1.00 0.78 C ATOM 529 OD1 ASP B 31 2.886 -12.238 1.317 1.00 0.81 O ATOM 530 OD2 ASP B 31 3.772 -10.962 2.877 1.00 0.77 O ATOM 0 H ASP B 31 0.319 -12.732 2.654 1.00 0.80 H new ATOM 0 HA ASP B 31 1.768 -14.361 4.546 1.00 0.79 H new ATOM 0 HB2 ASP B 31 3.866 -12.971 4.333 1.00 0.83 H new ATOM 0 HB3 ASP B 31 3.601 -14.103 3.021 1.00 0.83 H new ATOM 535 N CYS B 32 2.208 -11.312 5.153 1.00 0.68 N ATOM 536 CA CYS B 32 1.874 -10.188 6.032 1.00 0.64 C ATOM 537 C CYS B 32 2.803 -8.985 5.799 1.00 0.61 C ATOM 538 O CYS B 32 2.996 -8.156 6.691 1.00 0.64 O ATOM 539 CB CYS B 32 1.947 -10.630 7.501 1.00 0.75 C ATOM 540 SG CYS B 32 1.348 -9.400 8.687 1.00 0.80 S ATOM 0 H CYS B 32 3.142 -11.268 4.747 1.00 0.68 H new ATOM 0 HA CYS B 32 0.858 -9.873 5.795 1.00 0.64 H new ATOM 0 HB2 CYS B 32 1.366 -11.545 7.621 1.00 0.75 H new ATOM 0 HB3 CYS B 32 2.981 -10.875 7.742 1.00 0.75 H new ATOM 0 HG CYS B 32 1.839 -8.234 8.388 1.00 0.80 H new ATOM 546 N GLY B 33 3.372 -8.883 4.597 1.00 0.61 N ATOM 547 CA GLY B 33 4.261 -7.767 4.278 1.00 0.64 C ATOM 548 C GLY B 33 3.509 -6.467 4.015 1.00 0.58 C ATOM 549 O GLY B 33 3.580 -5.913 2.919 1.00 0.60 O ATOM 0 H GLY B 33 3.235 -9.550 3.838 1.00 0.61 H new ATOM 0 HA2 GLY B 33 4.958 -7.617 5.102 1.00 0.64 H new ATOM 0 HA3 GLY B 33 4.855 -8.021 3.400 1.00 0.64 H new ATOM 553 N GLU B 34 2.769 -5.996 5.015 1.00 0.54 N ATOM 554 CA GLU B 34 1.979 -4.770 4.891 1.00 0.53 C ATOM 555 C GLU B 34 2.846 -3.505 4.860 1.00 0.62 C ATOM 556 O GLU B 34 3.857 -3.410 5.556 1.00 0.70 O ATOM 557 CB GLU B 34 0.962 -4.676 6.035 1.00 0.55 C ATOM 558 CG GLU B 34 1.584 -4.733 7.423 1.00 0.64 C ATOM 559 CD GLU B 34 0.564 -4.533 8.526 1.00 0.69 C ATOM 560 OE1 GLU B 34 -0.022 -3.428 8.600 1.00 0.72 O ATOM 561 OE2 GLU B 34 0.341 -5.479 9.305 1.00 0.74 O ATOM 0 H GLU B 34 2.699 -6.447 5.927 1.00 0.54 H new ATOM 0 HA GLU B 34 1.458 -4.827 3.935 1.00 0.53 H new ATOM 0 HB2 GLU B 34 0.404 -3.745 5.936 1.00 0.55 H new ATOM 0 HB3 GLU B 34 0.244 -5.490 5.936 1.00 0.55 H new ATOM 0 HG2 GLU B 34 2.076 -5.696 7.558 1.00 0.64 H new ATOM 0 HG3 GLU B 34 2.356 -3.967 7.503 1.00 0.64 H new ATOM 568 N LYS B 35 2.417 -2.536 4.043 1.00 0.64 N ATOM 569 CA LYS B 35 3.112 -1.245 3.889 1.00 0.76 C ATOM 570 C LYS B 35 4.527 -1.414 3.314 1.00 0.84 C ATOM 571 O LYS B 35 5.499 -1.013 3.992 1.00 0.94 O ATOM 572 CB LYS B 35 3.173 -0.476 5.222 1.00 0.85 C ATOM 573 CG LYS B 35 1.828 0.055 5.710 1.00 0.85 C ATOM 574 CD LYS B 35 0.956 -1.044 6.296 1.00 0.76 C ATOM 575 CE LYS B 35 -0.376 -0.507 6.789 1.00 0.80 C ATOM 576 NZ LYS B 35 -1.226 -1.583 7.370 1.00 0.77 N ATOM 577 OXT LYS B 35 4.646 -1.926 2.178 1.00 0.85 O ATOM 0 H LYS B 35 1.579 -2.621 3.468 1.00 0.64 H new ATOM 0 HA LYS B 35 2.527 -0.663 3.176 1.00 0.76 H new ATOM 0 HB2 LYS B 35 3.589 -1.132 5.986 1.00 0.85 H new ATOM 0 HB3 LYS B 35 3.862 0.362 5.112 1.00 0.85 H new ATOM 0 HG2 LYS B 35 1.995 0.825 6.463 1.00 0.85 H new ATOM 0 HG3 LYS B 35 1.304 0.529 4.880 1.00 0.85 H new ATOM 0 HD2 LYS B 35 0.781 -1.810 5.541 1.00 0.76 H new ATOM 0 HD3 LYS B 35 1.482 -1.524 7.121 1.00 0.76 H new ATOM 0 HE2 LYS B 35 -0.202 0.264 7.540 1.00 0.80 H new ATOM 0 HE3 LYS B 35 -0.905 -0.033 5.962 1.00 0.80 H new ATOM 0 HZ1 LYS B 35 -1.928 -1.162 8.012 1.00 0.77 H new ATOM 0 HZ2 LYS B 35 -1.716 -2.089 6.605 1.00 0.77 H new ATOM 0 HZ3 LYS B 35 -0.629 -2.250 7.899 1.00 0.77 H new TER 591 LYS B 35