USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 253 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.8!) USER MOD Set 1.2: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.18) USER MOD Single : A 9 SER OG : rot 170:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.515 X(o=-0.51,f=-0.27) USER MOD Single : A 25 SER OG : rot 170:sc= 0.256 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.101 (180deg=-0.537) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.583 -0.355 2.236 1.00 32.23 N ATOM 2 CA GLY A 1 4.265 -0.220 0.963 1.00 71.35 C ATOM 3 C GLY A 1 3.855 -1.290 -0.031 1.00 2.43 C ATOM 4 O GLY A 1 3.379 -0.982 -1.122 1.00 71.14 O ATOM 0 H1 GLY A 1 3.897 0.399 2.880 1.00 32.23 H new ATOM 0 H2 GLY A 1 2.556 -0.279 2.089 1.00 32.23 H new ATOM 0 H3 GLY A 1 3.806 -1.281 2.653 1.00 32.23 H new ATOM 0 HA2 GLY A 1 4.052 0.763 0.543 1.00 71.35 H new ATOM 0 HA3 GLY A 1 5.342 -0.271 1.124 1.00 71.35 H new ATOM 8 N ASN A 2 4.042 -2.550 0.348 1.00 3.21 N ATOM 9 CA ASN A 2 3.691 -3.669 -0.519 1.00 14.32 C ATOM 10 C ASN A 2 2.881 -4.713 0.243 1.00 73.40 C ATOM 11 O ASN A 2 2.679 -4.597 1.452 1.00 52.22 O ATOM 12 CB ASN A 2 4.954 -4.309 -1.098 1.00 11.03 C ATOM 13 CG ASN A 2 5.943 -4.712 -0.021 1.00 43.33 C ATOM 14 OD1 ASN A 2 5.884 -5.822 0.508 1.00 44.23 O ATOM 15 ND2 ASN A 2 6.859 -3.808 0.308 1.00 21.31 N ATOM 0 H ASN A 2 4.434 -2.822 1.249 1.00 3.21 H new ATOM 0 HA ASN A 2 3.080 -3.286 -1.336 1.00 14.32 H new ATOM 0 HB2 ASN A 2 4.678 -5.187 -1.682 1.00 11.03 H new ATOM 0 HB3 ASN A 2 5.432 -3.609 -1.783 1.00 11.03 H new ATOM 0 HD21 ASN A 2 7.551 -4.022 1.026 1.00 21.31 H new ATOM 0 HD22 ASN A 2 6.870 -2.900 -0.157 1.00 21.31 H new ATOM 22 N ASP A 3 2.420 -5.734 -0.472 1.00 42.43 N ATOM 23 CA ASP A 3 1.634 -6.801 0.136 1.00 53.51 C ATOM 24 C ASP A 3 2.113 -8.168 -0.341 1.00 35.20 C ATOM 25 O ASP A 3 1.880 -8.554 -1.487 1.00 21.41 O ATOM 26 CB ASP A 3 0.151 -6.622 -0.194 1.00 50.13 C ATOM 27 CG ASP A 3 -0.521 -5.596 0.697 1.00 32.54 C ATOM 28 OD1 ASP A 3 -0.208 -5.565 1.906 1.00 71.53 O ATOM 29 OD2 ASP A 3 -1.361 -4.826 0.187 1.00 11.42 O ATOM 0 H ASP A 3 2.577 -5.845 -1.474 1.00 42.43 H new ATOM 0 HA ASP A 3 1.767 -6.747 1.217 1.00 53.51 H new ATOM 0 HB2 ASP A 3 0.048 -6.318 -1.236 1.00 50.13 H new ATOM 0 HB3 ASP A 3 -0.360 -7.579 -0.090 1.00 50.13 H new ATOM 34 N CYS A 4 2.783 -8.897 0.545 1.00 3.51 N ATOM 35 CA CYS A 4 3.297 -10.221 0.216 1.00 51.55 C ATOM 36 C CYS A 4 3.646 -10.999 1.481 1.00 42.13 C ATOM 37 O CYS A 4 3.541 -10.478 2.592 1.00 23.42 O ATOM 38 CB CYS A 4 4.531 -10.103 -0.681 1.00 71.13 C ATOM 39 SG CYS A 4 5.737 -8.856 -0.127 1.00 0.42 S ATOM 0 H CYS A 4 2.983 -8.593 1.498 1.00 3.51 H new ATOM 0 HA CYS A 4 2.518 -10.764 -0.319 1.00 51.55 H new ATOM 0 HB2 CYS A 4 5.025 -11.073 -0.731 1.00 71.13 H new ATOM 0 HB3 CYS A 4 4.209 -9.857 -1.693 1.00 71.13 H new ATOM 44 N LEU A 5 4.062 -12.248 1.304 1.00 60.20 N ATOM 45 CA LEU A 5 4.428 -13.099 2.431 1.00 74.52 C ATOM 46 C LEU A 5 5.920 -13.413 2.414 1.00 22.43 C ATOM 47 O LEU A 5 6.595 -13.216 1.405 1.00 5.52 O ATOM 48 CB LEU A 5 3.621 -14.399 2.396 1.00 2.15 C ATOM 49 CG LEU A 5 2.102 -14.244 2.323 1.00 33.14 C ATOM 50 CD1 LEU A 5 1.460 -15.518 1.795 1.00 2.23 C ATOM 51 CD2 LEU A 5 1.536 -13.887 3.690 1.00 53.41 C ATOM 0 H LEU A 5 4.154 -12.694 0.391 1.00 60.20 H new ATOM 0 HA LEU A 5 4.200 -12.561 3.351 1.00 74.52 H new ATOM 0 HB2 LEU A 5 3.948 -14.983 1.536 1.00 2.15 H new ATOM 0 HB3 LEU A 5 3.865 -14.979 3.286 1.00 2.15 H new ATOM 0 HG LEU A 5 1.872 -13.432 1.633 1.00 33.14 H new ATOM 0 HD11 LEU A 5 0.379 -15.389 1.750 1.00 2.23 H new ATOM 0 HD12 LEU A 5 1.842 -15.731 0.797 1.00 2.23 H new ATOM 0 HD13 LEU A 5 1.699 -16.348 2.460 1.00 2.23 H new ATOM 0 HD21 LEU A 5 0.454 -13.781 3.619 1.00 53.41 H new ATOM 0 HD22 LEU A 5 1.777 -14.677 4.401 1.00 53.41 H new ATOM 0 HD23 LEU A 5 1.971 -12.947 4.030 1.00 53.41 H new ATOM 63 N GLY A 6 6.429 -13.906 3.540 1.00 72.23 N ATOM 64 CA GLY A 6 7.838 -14.242 3.633 1.00 54.24 C ATOM 65 C GLY A 6 8.120 -15.675 3.229 1.00 60.24 C ATOM 66 O GLY A 6 7.389 -16.257 2.427 1.00 65.34 O ATOM 0 H GLY A 6 5.891 -14.078 4.389 1.00 72.23 H new ATOM 0 HA2 GLY A 6 8.412 -13.569 2.996 1.00 54.24 H new ATOM 0 HA3 GLY A 6 8.180 -14.082 4.656 1.00 54.24 H new ATOM 70 N PHE A 7 9.184 -16.246 3.784 1.00 60.03 N ATOM 71 CA PHE A 7 9.563 -17.620 3.474 1.00 2.24 C ATOM 72 C PHE A 7 8.817 -18.605 4.369 1.00 15.43 C ATOM 73 O PHE A 7 8.457 -18.281 5.501 1.00 32.13 O ATOM 74 CB PHE A 7 11.073 -17.805 3.642 1.00 52.42 C ATOM 75 CG PHE A 7 11.715 -18.552 2.508 1.00 35.31 C ATOM 76 CD1 PHE A 7 11.457 -19.900 2.316 1.00 23.11 C ATOM 77 CD2 PHE A 7 12.575 -17.907 1.635 1.00 64.32 C ATOM 78 CE1 PHE A 7 12.046 -20.591 1.274 1.00 71.13 C ATOM 79 CE2 PHE A 7 13.166 -18.593 0.590 1.00 5.14 C ATOM 80 CZ PHE A 7 12.902 -19.937 0.410 1.00 4.43 C ATOM 0 H PHE A 7 9.799 -15.779 4.450 1.00 60.03 H new ATOM 0 HA PHE A 7 9.292 -17.820 2.437 1.00 2.24 H new ATOM 0 HB2 PHE A 7 11.543 -16.826 3.734 1.00 52.42 H new ATOM 0 HB3 PHE A 7 11.264 -18.339 4.573 1.00 52.42 H new ATOM 0 HD1 PHE A 7 10.788 -20.416 2.988 1.00 23.11 H new ATOM 0 HD2 PHE A 7 12.786 -16.857 1.772 1.00 64.32 H new ATOM 0 HE1 PHE A 7 11.837 -21.642 1.136 1.00 71.13 H new ATOM 0 HE2 PHE A 7 13.834 -18.078 -0.085 1.00 5.14 H new ATOM 0 HZ PHE A 7 13.364 -20.475 -0.405 1.00 4.43 H new ATOM 90 N TRP A 8 8.587 -19.806 3.853 1.00 20.51 N ATOM 91 CA TRP A 8 7.883 -20.839 4.605 1.00 75.13 C ATOM 92 C TRP A 8 6.558 -20.311 5.145 1.00 22.12 C ATOM 93 O TRP A 8 6.105 -20.722 6.214 1.00 44.24 O ATOM 94 CB TRP A 8 8.753 -21.344 5.757 1.00 51.41 C ATOM 95 CG TRP A 8 10.177 -21.591 5.361 1.00 3.53 C ATOM 96 CD1 TRP A 8 11.283 -20.945 5.835 1.00 4.24 C ATOM 97 CD2 TRP A 8 10.648 -22.550 4.409 1.00 60.13 C ATOM 98 NE1 TRP A 8 12.413 -21.445 5.235 1.00 64.22 N ATOM 99 CE2 TRP A 8 12.051 -22.432 4.356 1.00 13.53 C ATOM 100 CE3 TRP A 8 10.022 -23.499 3.597 1.00 73.34 C ATOM 101 CZ2 TRP A 8 12.834 -23.226 3.523 1.00 10.30 C ATOM 102 CZ3 TRP A 8 10.800 -24.287 2.770 1.00 44.51 C ATOM 103 CH2 TRP A 8 12.194 -24.147 2.739 1.00 43.34 C ATOM 0 H TRP A 8 8.877 -20.089 2.917 1.00 20.51 H new ATOM 0 HA TRP A 8 7.674 -21.667 3.928 1.00 75.13 H new ATOM 0 HB2 TRP A 8 8.730 -20.615 6.567 1.00 51.41 H new ATOM 0 HB3 TRP A 8 8.326 -22.268 6.147 1.00 51.41 H new ATOM 0 HD1 TRP A 8 11.271 -20.157 6.573 1.00 4.24 H new ATOM 0 HE1 TRP A 8 13.367 -21.132 5.415 1.00 64.22 H new ATOM 0 HE3 TRP A 8 8.948 -23.615 3.615 1.00 73.34 H new ATOM 0 HZ2 TRP A 8 13.908 -23.119 3.496 1.00 10.30 H new ATOM 0 HZ3 TRP A 8 10.326 -25.023 2.137 1.00 44.51 H new ATOM 0 HH2 TRP A 8 12.775 -24.779 2.083 1.00 43.34 H new ATOM 114 N SER A 9 5.941 -19.399 4.401 1.00 65.05 N ATOM 115 CA SER A 9 4.670 -18.812 4.808 1.00 60.54 C ATOM 116 C SER A 9 3.508 -19.469 4.070 1.00 74.54 C ATOM 117 O SER A 9 3.468 -19.485 2.840 1.00 42.23 O ATOM 118 CB SER A 9 4.671 -17.306 4.542 1.00 1.22 C ATOM 119 OG SER A 9 3.841 -16.624 5.467 1.00 70.51 O ATOM 0 H SER A 9 6.301 -19.050 3.513 1.00 65.05 H new ATOM 0 HA SER A 9 4.544 -18.985 5.877 1.00 60.54 H new ATOM 0 HB2 SER A 9 5.689 -16.922 4.610 1.00 1.22 H new ATOM 0 HB3 SER A 9 4.325 -17.113 3.527 1.00 1.22 H new ATOM 0 HG SER A 9 3.982 -15.658 5.382 1.00 70.51 H new ATOM 125 N ALA A 10 2.563 -20.012 4.831 1.00 55.34 N ATOM 126 CA ALA A 10 1.398 -20.669 4.250 1.00 11.44 C ATOM 127 C ALA A 10 0.717 -19.772 3.222 1.00 1.51 C ATOM 128 O ALA A 10 0.552 -18.571 3.443 1.00 60.35 O ATOM 129 CB ALA A 10 0.415 -21.062 5.343 1.00 21.41 C ATOM 0 H ALA A 10 2.581 -20.010 5.851 1.00 55.34 H new ATOM 0 HA ALA A 10 1.737 -21.570 3.739 1.00 11.44 H new ATOM 0 HB1 ALA A 10 -0.450 -21.551 4.896 1.00 21.41 H new ATOM 0 HB2 ALA A 10 0.900 -21.747 6.039 1.00 21.41 H new ATOM 0 HB3 ALA A 10 0.090 -20.170 5.878 1.00 21.41 H new ATOM 135 N CYS A 11 0.324 -20.361 2.098 1.00 42.33 N ATOM 136 CA CYS A 11 -0.338 -19.615 1.034 1.00 22.11 C ATOM 137 C CYS A 11 -1.255 -20.525 0.222 1.00 13.30 C ATOM 138 O CYS A 11 -1.430 -21.698 0.548 1.00 12.23 O ATOM 139 CB CYS A 11 0.700 -18.967 0.115 1.00 34.01 C ATOM 140 SG CYS A 11 1.960 -20.122 -0.514 1.00 42.11 S ATOM 0 H CYS A 11 0.452 -21.353 1.900 1.00 42.33 H new ATOM 0 HA CYS A 11 -0.944 -18.834 1.494 1.00 22.11 H new ATOM 0 HB2 CYS A 11 0.186 -18.511 -0.731 1.00 34.01 H new ATOM 0 HB3 CYS A 11 1.198 -18.163 0.657 1.00 34.01 H new ATOM 145 N ASN A 12 -1.838 -19.974 -0.838 1.00 14.23 N ATOM 146 CA ASN A 12 -2.738 -20.735 -1.697 1.00 13.22 C ATOM 147 C ASN A 12 -2.095 -21.007 -3.053 1.00 51.42 C ATOM 148 O ASN A 12 -1.415 -20.156 -3.627 1.00 53.35 O ATOM 149 CB ASN A 12 -4.056 -19.980 -1.886 1.00 64.15 C ATOM 150 CG ASN A 12 -5.262 -20.896 -1.818 1.00 30.42 C ATOM 151 OD1 ASN A 12 -5.507 -21.543 -0.799 1.00 53.31 O ATOM 152 ND2 ASN A 12 -6.022 -20.956 -2.905 1.00 61.42 N ATOM 0 H ASN A 12 -1.703 -19.004 -1.122 1.00 14.23 H new ATOM 0 HA ASN A 12 -2.941 -21.691 -1.213 1.00 13.22 H new ATOM 0 HB2 ASN A 12 -4.144 -19.211 -1.119 1.00 64.15 H new ATOM 0 HB3 ASN A 12 -4.044 -19.470 -2.849 1.00 64.15 H new ATOM 0 HD21 ASN A 12 -6.847 -21.556 -2.918 1.00 61.42 H new ATOM 0 HD22 ASN A 12 -5.781 -20.402 -3.727 1.00 61.42 H new ATOM 159 N PRO A 13 -2.314 -22.221 -3.579 1.00 51.23 N ATOM 160 CA PRO A 13 -1.766 -22.633 -4.875 1.00 3.12 C ATOM 161 C PRO A 13 -2.422 -21.902 -6.041 1.00 44.50 C ATOM 162 O PRO A 13 -1.870 -21.843 -7.140 1.00 70.22 O ATOM 163 CB PRO A 13 -2.084 -24.129 -4.935 1.00 1.01 C ATOM 164 CG PRO A 13 -3.269 -24.300 -4.048 1.00 62.24 C ATOM 165 CD PRO A 13 -3.114 -23.285 -2.950 1.00 55.21 C ATOM 0 HA PRO A 13 -0.703 -22.405 -4.959 1.00 3.12 H new ATOM 0 HB2 PRO A 13 -2.303 -24.447 -5.954 1.00 1.01 H new ATOM 0 HB3 PRO A 13 -1.241 -24.727 -4.589 1.00 1.01 H new ATOM 0 HG2 PRO A 13 -4.196 -24.140 -4.599 1.00 62.24 H new ATOM 0 HG3 PRO A 13 -3.310 -25.311 -3.642 1.00 62.24 H new ATOM 0 HD2 PRO A 13 -4.080 -22.913 -2.608 1.00 55.21 H new ATOM 0 HD3 PRO A 13 -2.609 -23.707 -2.081 1.00 55.21 H new ATOM 173 N LYS A 14 -3.602 -21.344 -5.795 1.00 12.22 N ATOM 174 CA LYS A 14 -4.334 -20.614 -6.824 1.00 24.04 C ATOM 175 C LYS A 14 -4.051 -19.118 -6.734 1.00 50.31 C ATOM 176 O LYS A 14 -4.275 -18.376 -7.690 1.00 24.30 O ATOM 177 CB LYS A 14 -5.836 -20.869 -6.688 1.00 15.01 C ATOM 178 CG LYS A 14 -6.189 -22.333 -6.488 1.00 15.33 C ATOM 179 CD LYS A 14 -7.694 -22.548 -6.485 1.00 64.21 C ATOM 180 CE LYS A 14 -8.076 -23.795 -5.703 1.00 75.53 C ATOM 181 NZ LYS A 14 -7.604 -25.038 -6.375 1.00 13.11 N ATOM 0 H LYS A 14 -4.073 -21.383 -4.891 1.00 12.22 H new ATOM 0 HA LYS A 14 -3.998 -20.972 -7.797 1.00 24.04 H new ATOM 0 HB2 LYS A 14 -6.219 -20.293 -5.845 1.00 15.01 H new ATOM 0 HB3 LYS A 14 -6.341 -20.501 -7.581 1.00 15.01 H new ATOM 0 HG2 LYS A 14 -5.737 -22.929 -7.281 1.00 15.33 H new ATOM 0 HG3 LYS A 14 -5.768 -22.684 -5.546 1.00 15.33 H new ATOM 0 HD2 LYS A 14 -8.186 -21.679 -6.049 1.00 64.21 H new ATOM 0 HD3 LYS A 14 -8.052 -22.636 -7.511 1.00 64.21 H new ATOM 0 HE2 LYS A 14 -7.650 -23.740 -4.701 1.00 75.53 H new ATOM 0 HE3 LYS A 14 -9.159 -23.834 -5.587 1.00 75.53 H new ATOM 0 HZ1 LYS A 14 -7.884 -25.865 -5.811 1.00 13.11 H new ATOM 0 HZ2 LYS A 14 -8.030 -25.104 -7.322 1.00 13.11 H new ATOM 0 HZ3 LYS A 14 -6.568 -25.013 -6.463 1.00 13.11 H new ATOM 195 N ASN A 15 -3.557 -18.681 -5.580 1.00 70.40 N ATOM 196 CA ASN A 15 -3.243 -17.273 -5.367 1.00 21.23 C ATOM 197 C ASN A 15 -1.951 -17.119 -4.569 1.00 54.33 C ATOM 198 O ASN A 15 -1.977 -17.002 -3.344 1.00 24.01 O ATOM 199 CB ASN A 15 -4.393 -16.578 -4.636 1.00 11.32 C ATOM 200 CG ASN A 15 -4.315 -15.067 -4.740 1.00 51.24 C ATOM 201 OD1 ASN A 15 -3.228 -14.489 -4.742 1.00 50.03 O ATOM 202 ND2 ASN A 15 -5.471 -14.419 -4.828 1.00 32.51 N ATOM 0 H ASN A 15 -3.366 -19.282 -4.778 1.00 70.40 H new ATOM 0 HA ASN A 15 -3.105 -16.805 -6.342 1.00 21.23 H new ATOM 0 HB2 ASN A 15 -5.342 -16.919 -5.050 1.00 11.32 H new ATOM 0 HB3 ASN A 15 -4.380 -16.868 -3.585 1.00 11.32 H new ATOM 0 HD21 ASN A 15 -5.481 -13.402 -4.901 1.00 32.51 H new ATOM 0 HD22 ASN A 15 -6.349 -14.939 -4.823 1.00 32.51 H new ATOM 209 N ASP A 16 -0.825 -17.118 -5.273 1.00 22.30 N ATOM 210 CA ASP A 16 0.477 -16.976 -4.632 1.00 22.34 C ATOM 211 C ASP A 16 0.741 -15.522 -4.254 1.00 21.14 C ATOM 212 O ASP A 16 0.931 -14.668 -5.120 1.00 75.43 O ATOM 213 CB ASP A 16 1.584 -17.484 -5.557 1.00 73.53 C ATOM 214 CG ASP A 16 2.964 -17.060 -5.096 1.00 63.45 C ATOM 215 OD1 ASP A 16 3.314 -15.876 -5.284 1.00 21.54 O ATOM 216 OD2 ASP A 16 3.695 -17.913 -4.549 1.00 44.44 O ATOM 0 H ASP A 16 -0.787 -17.214 -6.288 1.00 22.30 H new ATOM 0 HA ASP A 16 0.472 -17.575 -3.721 1.00 22.34 H new ATOM 0 HB2 ASP A 16 1.540 -18.572 -5.608 1.00 73.53 H new ATOM 0 HB3 ASP A 16 1.410 -17.110 -6.566 1.00 73.53 H new ATOM 221 N LYS A 17 0.751 -15.247 -2.954 1.00 1.42 N ATOM 222 CA LYS A 17 0.992 -13.896 -2.459 1.00 73.24 C ATOM 223 C LYS A 17 2.339 -13.809 -1.749 1.00 51.33 C ATOM 224 O LYS A 17 2.527 -12.987 -0.852 1.00 11.22 O ATOM 225 CB LYS A 17 -0.128 -13.473 -1.506 1.00 21.13 C ATOM 226 CG LYS A 17 -1.469 -13.277 -2.191 1.00 41.52 C ATOM 227 CD LYS A 17 -2.133 -11.981 -1.755 1.00 75.43 C ATOM 228 CE LYS A 17 -3.594 -11.934 -2.178 1.00 63.34 C ATOM 229 NZ LYS A 17 -3.768 -11.260 -3.494 1.00 54.53 N ATOM 0 H LYS A 17 0.595 -15.942 -2.224 1.00 1.42 H new ATOM 0 HA LYS A 17 1.008 -13.220 -3.314 1.00 73.24 H new ATOM 0 HB2 LYS A 17 -0.235 -14.228 -0.727 1.00 21.13 H new ATOM 0 HB3 LYS A 17 0.158 -12.544 -1.013 1.00 21.13 H new ATOM 0 HG2 LYS A 17 -1.329 -13.270 -3.272 1.00 41.52 H new ATOM 0 HG3 LYS A 17 -2.123 -14.118 -1.960 1.00 41.52 H new ATOM 0 HD2 LYS A 17 -2.063 -11.882 -0.672 1.00 75.43 H new ATOM 0 HD3 LYS A 17 -1.600 -11.134 -2.188 1.00 75.43 H new ATOM 0 HE2 LYS A 17 -3.989 -12.948 -2.234 1.00 63.34 H new ATOM 0 HE3 LYS A 17 -4.175 -11.408 -1.421 1.00 63.34 H new ATOM 0 HZ1 LYS A 17 -4.777 -11.248 -3.747 1.00 54.53 H new ATOM 0 HZ2 LYS A 17 -3.415 -10.284 -3.433 1.00 54.53 H new ATOM 0 HZ3 LYS A 17 -3.234 -11.777 -4.222 1.00 54.53 H new ATOM 243 N CYS A 18 3.274 -14.660 -2.158 1.00 1.25 N ATOM 244 CA CYS A 18 4.604 -14.678 -1.562 1.00 25.44 C ATOM 245 C CYS A 18 5.452 -13.523 -2.087 1.00 30.30 C ATOM 246 O CYS A 18 5.082 -12.857 -3.055 1.00 24.34 O ATOM 247 CB CYS A 18 5.299 -16.010 -1.855 1.00 40.31 C ATOM 248 SG CYS A 18 4.263 -17.474 -1.539 1.00 21.41 S ATOM 0 H CYS A 18 3.135 -15.346 -2.900 1.00 1.25 H new ATOM 0 HA CYS A 18 4.493 -14.563 -0.484 1.00 25.44 H new ATOM 0 HB2 CYS A 18 5.616 -16.021 -2.898 1.00 40.31 H new ATOM 0 HB3 CYS A 18 6.201 -16.078 -1.247 1.00 40.31 H new ATOM 253 N CYS A 19 6.591 -13.291 -1.443 1.00 33.54 N ATOM 254 CA CYS A 19 7.492 -12.218 -1.843 1.00 53.41 C ATOM 255 C CYS A 19 8.867 -12.769 -2.209 1.00 33.22 C ATOM 256 O CYS A 19 9.073 -13.982 -2.238 1.00 34.14 O ATOM 257 CB CYS A 19 7.625 -11.189 -0.718 1.00 63.41 C ATOM 258 SG CYS A 19 7.401 -9.464 -1.257 1.00 45.24 S ATOM 0 H CYS A 19 6.912 -13.833 -0.641 1.00 33.54 H new ATOM 0 HA CYS A 19 7.070 -11.732 -2.723 1.00 53.41 H new ATOM 0 HB2 CYS A 19 6.891 -11.415 0.055 1.00 63.41 H new ATOM 0 HB3 CYS A 19 8.610 -11.291 -0.262 1.00 63.41 H new ATOM 263 N ALA A 20 9.804 -11.869 -2.487 1.00 62.31 N ATOM 264 CA ALA A 20 11.160 -12.265 -2.849 1.00 33.15 C ATOM 265 C ALA A 20 11.151 -13.261 -4.004 1.00 4.43 C ATOM 266 O ALA A 20 12.054 -14.087 -4.130 1.00 10.15 O ATOM 267 CB ALA A 20 11.875 -12.858 -1.644 1.00 5.33 C ATOM 0 H ALA A 20 9.650 -10.861 -2.469 1.00 62.31 H new ATOM 0 HA ALA A 20 11.698 -11.375 -3.176 1.00 33.15 H new ATOM 0 HB1 ALA A 20 12.886 -13.149 -1.928 1.00 5.33 H new ATOM 0 HB2 ALA A 20 11.922 -12.116 -0.847 1.00 5.33 H new ATOM 0 HB3 ALA A 20 11.330 -13.734 -1.292 1.00 5.33 H new ATOM 273 N ASN A 21 10.125 -13.176 -4.844 1.00 45.14 N ATOM 274 CA ASN A 21 9.999 -14.071 -5.989 1.00 4.10 C ATOM 275 C ASN A 21 9.859 -15.520 -5.533 1.00 64.24 C ATOM 276 O ASN A 21 10.278 -16.445 -6.231 1.00 24.12 O ATOM 277 CB ASN A 21 11.213 -13.929 -6.910 1.00 0.02 C ATOM 278 CG ASN A 21 11.715 -12.500 -6.989 1.00 31.11 C ATOM 279 OD1 ASN A 21 11.086 -11.643 -7.611 1.00 25.33 O ATOM 280 ND2 ASN A 21 12.853 -12.237 -6.357 1.00 61.25 N ATOM 0 H ASN A 21 9.369 -12.497 -4.754 1.00 45.14 H new ATOM 0 HA ASN A 21 9.100 -13.793 -6.539 1.00 4.10 H new ATOM 0 HB2 ASN A 21 12.015 -14.574 -6.551 1.00 0.02 H new ATOM 0 HB3 ASN A 21 10.950 -14.274 -7.910 1.00 0.02 H new ATOM 0 HD21 ASN A 21 13.240 -11.293 -6.375 1.00 61.25 H new ATOM 0 HD22 ASN A 21 13.340 -12.979 -5.854 1.00 61.25 H new ATOM 287 N LEU A 22 9.267 -15.711 -4.360 1.00 2.13 N ATOM 288 CA LEU A 22 9.071 -17.048 -3.810 1.00 55.13 C ATOM 289 C LEU A 22 8.042 -17.826 -4.625 1.00 13.52 C ATOM 290 O LEU A 22 7.496 -17.316 -5.604 1.00 20.41 O ATOM 291 CB LEU A 22 8.621 -16.960 -2.351 1.00 3.13 C ATOM 292 CG LEU A 22 9.718 -16.659 -1.328 1.00 55.20 C ATOM 293 CD1 LEU A 22 9.136 -15.948 -0.116 1.00 20.12 C ATOM 294 CD2 LEU A 22 10.423 -17.941 -0.910 1.00 1.44 C ATOM 0 H LEU A 22 8.914 -14.957 -3.771 1.00 2.13 H new ATOM 0 HA LEU A 22 10.023 -17.577 -3.859 1.00 55.13 H new ATOM 0 HB2 LEU A 22 7.857 -16.186 -2.273 1.00 3.13 H new ATOM 0 HB3 LEU A 22 8.148 -17.904 -2.080 1.00 3.13 H new ATOM 0 HG LEU A 22 10.452 -16.000 -1.792 1.00 55.20 H new ATOM 0 HD11 LEU A 22 9.931 -15.742 0.601 1.00 20.12 H new ATOM 0 HD12 LEU A 22 8.678 -15.010 -0.430 1.00 20.12 H new ATOM 0 HD13 LEU A 22 8.382 -16.582 0.350 1.00 20.12 H new ATOM 0 HD21 LEU A 22 11.200 -17.708 -0.182 1.00 1.44 H new ATOM 0 HD22 LEU A 22 9.701 -18.624 -0.464 1.00 1.44 H new ATOM 0 HD23 LEU A 22 10.874 -18.410 -1.785 1.00 1.44 H new ATOM 306 N VAL A 23 7.780 -19.062 -4.212 1.00 52.25 N ATOM 307 CA VAL A 23 6.814 -19.909 -4.902 1.00 12.04 C ATOM 308 C VAL A 23 5.885 -20.602 -3.911 1.00 25.23 C ATOM 309 O VAL A 23 6.304 -20.997 -2.822 1.00 44.11 O ATOM 310 CB VAL A 23 7.516 -20.976 -5.763 1.00 3.54 C ATOM 311 CG1 VAL A 23 8.447 -21.823 -4.909 1.00 32.32 C ATOM 312 CG2 VAL A 23 6.491 -21.846 -6.474 1.00 10.33 C ATOM 0 H VAL A 23 8.223 -19.499 -3.404 1.00 52.25 H new ATOM 0 HA VAL A 23 6.229 -19.258 -5.551 1.00 12.04 H new ATOM 0 HB VAL A 23 8.116 -20.470 -6.520 1.00 3.54 H new ATOM 0 HG11 VAL A 23 8.934 -22.571 -5.534 1.00 32.32 H new ATOM 0 HG12 VAL A 23 9.203 -21.184 -4.452 1.00 32.32 H new ATOM 0 HG13 VAL A 23 7.872 -22.321 -4.128 1.00 32.32 H new ATOM 0 HG21 VAL A 23 7.005 -22.594 -7.078 1.00 10.33 H new ATOM 0 HG22 VAL A 23 5.862 -22.344 -5.736 1.00 10.33 H new ATOM 0 HG23 VAL A 23 5.870 -21.224 -7.119 1.00 10.33 H new ATOM 322 N CYS A 24 4.622 -20.748 -4.295 1.00 32.11 N ATOM 323 CA CYS A 24 3.632 -21.394 -3.441 1.00 42.11 C ATOM 324 C CYS A 24 3.466 -22.864 -3.817 1.00 3.35 C ATOM 325 O CYS A 24 2.732 -23.199 -4.746 1.00 41.41 O ATOM 326 CB CYS A 24 2.287 -20.674 -3.549 1.00 53.43 C ATOM 327 SG CYS A 24 1.170 -20.969 -2.141 1.00 32.21 S ATOM 0 H CYS A 24 4.259 -20.428 -5.193 1.00 32.11 H new ATOM 0 HA CYS A 24 3.985 -21.338 -2.411 1.00 42.11 H new ATOM 0 HB2 CYS A 24 2.467 -19.603 -3.638 1.00 53.43 H new ATOM 0 HB3 CYS A 24 1.790 -20.991 -4.466 1.00 53.43 H new ATOM 332 N SER A 25 4.153 -23.736 -3.087 1.00 25.45 N ATOM 333 CA SER A 25 4.086 -25.170 -3.344 1.00 55.04 C ATOM 334 C SER A 25 2.659 -25.685 -3.179 1.00 52.44 C ATOM 335 O SER A 25 2.063 -25.562 -2.109 1.00 52.13 O ATOM 336 CB SER A 25 5.024 -25.924 -2.401 1.00 22.40 C ATOM 337 OG SER A 25 4.747 -27.314 -2.409 1.00 70.14 O ATOM 0 H SER A 25 4.763 -23.475 -2.312 1.00 25.45 H new ATOM 0 HA SER A 25 4.401 -25.344 -4.373 1.00 55.04 H new ATOM 0 HB2 SER A 25 6.058 -25.755 -2.700 1.00 22.40 H new ATOM 0 HB3 SER A 25 4.917 -25.535 -1.389 1.00 22.40 H new ATOM 0 HG SER A 25 5.455 -27.791 -1.929 1.00 70.14 H new ATOM 343 N SER A 26 2.117 -26.261 -4.247 1.00 61.25 N ATOM 344 CA SER A 26 0.759 -26.792 -4.224 1.00 11.44 C ATOM 345 C SER A 26 0.670 -28.016 -3.317 1.00 54.34 C ATOM 346 O SER A 26 -0.421 -28.487 -2.996 1.00 75.01 O ATOM 347 CB SER A 26 0.306 -27.156 -5.639 1.00 24.42 C ATOM 348 OG SER A 26 0.320 -28.560 -5.832 1.00 73.15 O ATOM 0 H SER A 26 2.598 -26.372 -5.140 1.00 61.25 H new ATOM 0 HA SER A 26 0.100 -26.019 -3.828 1.00 11.44 H new ATOM 0 HB2 SER A 26 -0.699 -26.772 -5.813 1.00 24.42 H new ATOM 0 HB3 SER A 26 0.961 -26.679 -6.368 1.00 24.42 H new ATOM 0 HG SER A 26 0.025 -28.768 -6.743 1.00 73.15 H new ATOM 354 N LYS A 27 1.826 -28.527 -2.908 1.00 51.43 N ATOM 355 CA LYS A 27 1.881 -29.695 -2.038 1.00 24.10 C ATOM 356 C LYS A 27 1.951 -29.279 -0.572 1.00 61.12 C ATOM 357 O LYS A 27 1.030 -29.540 0.202 1.00 31.52 O ATOM 358 CB LYS A 27 3.092 -30.563 -2.391 1.00 52.50 C ATOM 359 CG LYS A 27 2.939 -32.016 -1.978 1.00 64.32 C ATOM 360 CD LYS A 27 2.326 -32.850 -3.090 1.00 72.42 C ATOM 361 CE LYS A 27 1.440 -33.955 -2.535 1.00 12.24 C ATOM 362 NZ LYS A 27 2.239 -35.044 -1.907 1.00 15.41 N ATOM 0 H LYS A 27 2.738 -28.150 -3.165 1.00 51.43 H new ATOM 0 HA LYS A 27 0.970 -30.273 -2.190 1.00 24.10 H new ATOM 0 HB2 LYS A 27 3.261 -30.516 -3.467 1.00 52.50 H new ATOM 0 HB3 LYS A 27 3.978 -30.149 -1.910 1.00 52.50 H new ATOM 0 HG2 LYS A 27 3.914 -32.424 -1.711 1.00 64.32 H new ATOM 0 HG3 LYS A 27 2.313 -32.078 -1.088 1.00 64.32 H new ATOM 0 HD2 LYS A 27 1.740 -32.208 -3.747 1.00 72.42 H new ATOM 0 HD3 LYS A 27 3.119 -33.288 -3.697 1.00 72.42 H new ATOM 0 HE2 LYS A 27 0.755 -33.536 -1.798 1.00 12.24 H new ATOM 0 HE3 LYS A 27 0.830 -34.369 -3.338 1.00 12.24 H new ATOM 0 HZ1 LYS A 27 1.599 -35.777 -1.541 1.00 15.41 H new ATOM 0 HZ2 LYS A 27 2.875 -35.462 -2.616 1.00 15.41 H new ATOM 0 HZ3 LYS A 27 2.802 -34.654 -1.124 1.00 15.41 H new ATOM 376 N HIS A 28 3.048 -28.629 -0.198 1.00 4.13 N ATOM 377 CA HIS A 28 3.237 -28.175 1.176 1.00 53.45 C ATOM 378 C HIS A 28 2.344 -26.975 1.478 1.00 0.12 C ATOM 379 O HIS A 28 2.098 -26.647 2.639 1.00 25.33 O ATOM 380 CB HIS A 28 4.701 -27.809 1.418 1.00 65.12 C ATOM 381 CG HIS A 28 5.456 -28.842 2.197 1.00 34.11 C ATOM 382 ND1 HIS A 28 5.217 -29.102 3.530 1.00 1.42 N ATOM 383 CD2 HIS A 28 6.447 -29.684 1.823 1.00 23.00 C ATOM 384 CE1 HIS A 28 6.031 -30.057 3.943 1.00 74.11 C ATOM 385 NE2 HIS A 28 6.787 -30.428 2.926 1.00 62.21 N ATOM 0 H HIS A 28 3.820 -28.405 -0.826 1.00 4.13 H new ATOM 0 HA HIS A 28 2.960 -28.991 1.844 1.00 53.45 H new ATOM 0 HB2 HIS A 28 5.193 -27.659 0.457 1.00 65.12 H new ATOM 0 HB3 HIS A 28 4.746 -26.859 1.951 1.00 65.12 H new ATOM 0 HD2 HIS A 28 6.888 -29.757 0.840 1.00 23.00 H new ATOM 0 HE1 HIS A 28 6.071 -30.465 4.942 1.00 74.11 H new ATOM 0 HE2 HIS A 28 7.507 -31.150 2.955 1.00 62.21 H new ATOM 393 N LYS A 29 1.861 -26.322 0.426 1.00 24.41 N ATOM 394 CA LYS A 29 0.995 -25.159 0.578 1.00 65.21 C ATOM 395 C LYS A 29 1.687 -24.068 1.390 1.00 72.53 C ATOM 396 O LYS A 29 1.199 -23.664 2.445 1.00 21.22 O ATOM 397 CB LYS A 29 -0.317 -25.560 1.256 1.00 40.45 C ATOM 398 CG LYS A 29 -0.962 -26.794 0.650 1.00 20.32 C ATOM 399 CD LYS A 29 -2.372 -27.002 1.178 1.00 62.44 C ATOM 400 CE LYS A 29 -2.361 -27.507 2.612 1.00 13.24 C ATOM 401 NZ LYS A 29 -3.739 -27.676 3.151 1.00 74.42 N ATOM 0 H LYS A 29 2.055 -26.579 -0.542 1.00 24.41 H new ATOM 0 HA LYS A 29 0.778 -24.766 -0.415 1.00 65.21 H new ATOM 0 HB2 LYS A 29 -0.129 -25.741 2.314 1.00 40.45 H new ATOM 0 HB3 LYS A 29 -1.017 -24.727 1.195 1.00 40.45 H new ATOM 0 HG2 LYS A 29 -0.990 -26.696 -0.435 1.00 20.32 H new ATOM 0 HG3 LYS A 29 -0.355 -27.671 0.875 1.00 20.32 H new ATOM 0 HD2 LYS A 29 -2.923 -26.063 1.126 1.00 62.44 H new ATOM 0 HD3 LYS A 29 -2.898 -27.716 0.544 1.00 62.44 H new ATOM 0 HE2 LYS A 29 -1.834 -28.460 2.657 1.00 13.24 H new ATOM 0 HE3 LYS A 29 -1.809 -26.807 3.239 1.00 13.24 H new ATOM 0 HZ1 LYS A 29 -3.689 -28.022 4.131 1.00 74.42 H new ATOM 0 HZ2 LYS A 29 -4.234 -26.762 3.132 1.00 74.42 H new ATOM 0 HZ3 LYS A 29 -4.258 -28.363 2.568 1.00 74.42 H new ATOM 415 N TRP A 30 2.823 -23.596 0.890 1.00 31.10 N ATOM 416 CA TRP A 30 3.580 -22.551 1.569 1.00 1.41 C ATOM 417 C TRP A 30 4.533 -21.854 0.604 1.00 70.32 C ATOM 418 O TRP A 30 4.739 -22.313 -0.520 1.00 72.12 O ATOM 419 CB TRP A 30 4.364 -23.140 2.743 1.00 60.55 C ATOM 420 CG TRP A 30 5.407 -24.132 2.322 1.00 53.40 C ATOM 421 CD1 TRP A 30 5.606 -24.628 1.065 1.00 31.25 C ATOM 422 CD2 TRP A 30 6.391 -24.748 3.160 1.00 51.43 C ATOM 423 NE1 TRP A 30 6.655 -25.516 1.072 1.00 52.24 N ATOM 424 CE2 TRP A 30 7.154 -25.606 2.344 1.00 10.10 C ATOM 425 CE3 TRP A 30 6.703 -24.656 4.519 1.00 63.13 C ATOM 426 CZ2 TRP A 30 8.207 -26.367 2.845 1.00 40.32 C ATOM 427 CZ3 TRP A 30 7.749 -25.412 5.014 1.00 35.12 C ATOM 428 CH2 TRP A 30 8.491 -26.258 4.179 1.00 12.31 C ATOM 0 H TRP A 30 3.240 -23.920 0.017 1.00 31.10 H new ATOM 0 HA TRP A 30 2.872 -21.813 1.948 1.00 1.41 H new ATOM 0 HB2 TRP A 30 4.844 -22.330 3.293 1.00 60.55 H new ATOM 0 HB3 TRP A 30 3.669 -23.624 3.429 1.00 60.55 H new ATOM 0 HD1 TRP A 30 5.025 -24.362 0.194 1.00 31.25 H new ATOM 0 HE1 TRP A 30 7.005 -26.026 0.261 1.00 52.24 H new ATOM 0 HE3 TRP A 30 6.137 -24.006 5.170 1.00 63.13 H new ATOM 0 HZ2 TRP A 30 8.779 -27.020 2.203 1.00 40.32 H new ATOM 0 HZ3 TRP A 30 7.999 -25.350 6.063 1.00 35.12 H new ATOM 0 HH2 TRP A 30 9.303 -26.835 4.596 1.00 12.31 H new ATOM 439 N CYS A 31 5.113 -20.744 1.049 1.00 74.52 N ATOM 440 CA CYS A 31 6.044 -19.984 0.224 1.00 21.23 C ATOM 441 C CYS A 31 7.456 -20.553 0.333 1.00 30.01 C ATOM 442 O CYS A 31 8.244 -20.131 1.179 1.00 3.24 O ATOM 443 CB CYS A 31 6.042 -18.512 0.641 1.00 61.12 C ATOM 444 SG CYS A 31 4.418 -17.700 0.495 1.00 33.53 S ATOM 0 H CYS A 31 4.954 -20.351 1.977 1.00 74.52 H new ATOM 0 HA CYS A 31 5.719 -20.061 -0.813 1.00 21.23 H new ATOM 0 HB2 CYS A 31 6.382 -18.438 1.674 1.00 61.12 H new ATOM 0 HB3 CYS A 31 6.763 -17.971 0.028 1.00 61.12 H new ATOM 449 N LYS A 32 7.769 -21.514 -0.530 1.00 13.14 N ATOM 450 CA LYS A 32 9.085 -22.141 -0.533 1.00 41.12 C ATOM 451 C LYS A 32 9.940 -21.605 -1.677 1.00 73.15 C ATOM 452 O LYS A 32 9.501 -20.750 -2.445 1.00 72.03 O ATOM 453 CB LYS A 32 8.949 -23.660 -0.653 1.00 33.54 C ATOM 454 CG LYS A 32 8.239 -24.110 -1.918 1.00 44.13 C ATOM 455 CD LYS A 32 9.213 -24.704 -2.922 1.00 41.12 C ATOM 456 CE LYS A 32 9.777 -26.030 -2.435 1.00 12.24 C ATOM 457 NZ LYS A 32 8.702 -27.025 -2.169 1.00 72.51 N ATOM 0 H LYS A 32 7.128 -21.876 -1.237 1.00 13.14 H new ATOM 0 HA LYS A 32 9.577 -21.900 0.409 1.00 41.12 H new ATOM 0 HB2 LYS A 32 9.942 -24.108 -0.625 1.00 33.54 H new ATOM 0 HB3 LYS A 32 8.404 -24.037 0.213 1.00 33.54 H new ATOM 0 HG2 LYS A 32 7.478 -24.849 -1.666 1.00 44.13 H new ATOM 0 HG3 LYS A 32 7.723 -23.262 -2.368 1.00 44.13 H new ATOM 0 HD2 LYS A 32 8.708 -24.851 -3.877 1.00 41.12 H new ATOM 0 HD3 LYS A 32 10.029 -24.003 -3.097 1.00 41.12 H new ATOM 0 HE2 LYS A 32 10.464 -26.428 -3.181 1.00 12.24 H new ATOM 0 HE3 LYS A 32 10.354 -25.867 -1.525 1.00 12.24 H new ATOM 0 HZ1 LYS A 32 9.115 -27.978 -2.122 1.00 72.51 H new ATOM 0 HZ2 LYS A 32 8.239 -26.803 -1.264 1.00 72.51 H new ATOM 0 HZ3 LYS A 32 7.999 -26.990 -2.935 1.00 72.51 H new ATOM 471 N GLY A 33 11.163 -22.115 -1.786 1.00 71.30 N ATOM 472 CA GLY A 33 12.059 -21.677 -2.840 1.00 54.12 C ATOM 473 C GLY A 33 11.961 -22.542 -4.081 1.00 23.31 C ATOM 474 O GLY A 33 12.140 -23.759 -4.015 1.00 13.35 O ATOM 0 H GLY A 33 11.549 -22.824 -1.163 1.00 71.30 H new ATOM 0 HA2 GLY A 33 11.830 -20.644 -3.102 1.00 54.12 H new ATOM 0 HA3 GLY A 33 13.084 -21.692 -2.471 1.00 54.12 H new ATOM 478 N LYS A 34 11.676 -21.915 -5.217 1.00 31.11 N ATOM 479 CA LYS A 34 11.554 -22.635 -6.479 1.00 42.22 C ATOM 480 C LYS A 34 12.918 -23.114 -6.966 1.00 20.22 C ATOM 481 O LYS A 34 13.755 -22.314 -7.387 1.00 32.33 O ATOM 482 CB LYS A 34 10.908 -21.740 -7.540 1.00 30.54 C ATOM 483 CG LYS A 34 10.224 -22.514 -8.653 1.00 72.41 C ATOM 484 CD LYS A 34 9.114 -21.701 -9.297 1.00 41.35 C ATOM 485 CE LYS A 34 9.671 -20.529 -10.091 1.00 41.04 C ATOM 486 NZ LYS A 34 8.765 -20.133 -11.205 1.00 63.12 N ATOM 0 H LYS A 34 11.525 -20.909 -5.290 1.00 31.11 H new ATOM 0 HA LYS A 34 10.921 -23.506 -6.312 1.00 42.22 H new ATOM 0 HB2 LYS A 34 10.177 -21.090 -7.059 1.00 30.54 H new ATOM 0 HB3 LYS A 34 11.672 -21.095 -7.974 1.00 30.54 H new ATOM 0 HG2 LYS A 34 10.959 -22.791 -9.409 1.00 72.41 H new ATOM 0 HG3 LYS A 34 9.812 -23.441 -8.253 1.00 72.41 H new ATOM 0 HD2 LYS A 34 8.527 -22.342 -9.955 1.00 41.35 H new ATOM 0 HD3 LYS A 34 8.438 -21.331 -8.526 1.00 41.35 H new ATOM 0 HE2 LYS A 34 9.822 -19.679 -9.426 1.00 41.04 H new ATOM 0 HE3 LYS A 34 10.648 -20.795 -10.495 1.00 41.04 H new ATOM 0 HZ1 LYS A 34 9.180 -19.331 -11.722 1.00 63.12 H new ATOM 0 HZ2 LYS A 34 8.641 -20.936 -11.854 1.00 63.12 H new ATOM 0 HZ3 LYS A 34 7.841 -19.854 -10.818 1.00 63.12 H new ATOM 500 N LEU A 35 13.135 -24.423 -6.907 1.00 23.41 N ATOM 501 CA LEU A 35 14.398 -25.010 -7.343 1.00 52.14 C ATOM 502 C LEU A 35 14.755 -24.546 -8.752 1.00 25.22 C ATOM 503 O LEU A 35 15.671 -23.745 -8.939 1.00 20.03 O ATOM 504 CB LEU A 35 14.315 -26.537 -7.303 1.00 14.35 C ATOM 505 CG LEU A 35 13.620 -27.203 -8.491 1.00 25.11 C ATOM 506 CD1 LEU A 35 13.769 -28.715 -8.417 1.00 12.23 C ATOM 507 CD2 LEU A 35 12.151 -26.811 -8.539 1.00 32.25 C ATOM 0 H LEU A 35 12.453 -25.098 -6.562 1.00 23.41 H new ATOM 0 HA LEU A 35 15.180 -24.677 -6.660 1.00 52.14 H new ATOM 0 HB2 LEU A 35 15.328 -26.934 -7.231 1.00 14.35 H new ATOM 0 HB3 LEU A 35 13.793 -26.829 -6.392 1.00 14.35 H new ATOM 0 HG LEU A 35 14.097 -26.856 -9.408 1.00 25.11 H new ATOM 0 HD11 LEU A 35 13.268 -29.172 -9.270 1.00 12.23 H new ATOM 0 HD12 LEU A 35 14.827 -28.978 -8.434 1.00 12.23 H new ATOM 0 HD13 LEU A 35 13.319 -29.080 -7.494 1.00 12.23 H new ATOM 0 HD21 LEU A 35 11.673 -27.295 -9.391 1.00 32.25 H new ATOM 0 HD22 LEU A 35 11.660 -27.128 -7.619 1.00 32.25 H new ATOM 0 HD23 LEU A 35 12.066 -25.729 -8.641 1.00 32.25 H new TER 519 LEU A 35