USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 474 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 63 ASN : amide:sc= 0.559 K(o=1.2,f=-2.2) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -179:sc= 0.598 (180deg=0) USER MOD Set 2.1: A 14 LYS NZ :NH3+ 174:sc= 0.932 (180deg=0) USER MOD Set 2.2: A 60 GLN : amide:sc= 0.814 K(o=1.7,f=-5.7!) USER MOD Set 3.1: A 40 MET CE :methyl -155:sc= -0.162 (180deg=-0.607) USER MOD Set 3.2: A 49 TYR OH : rot -29:sc= 0.241 USER MOD Set 3.3: A 65 TYR OH : rot 120:sc= 0.66 USER MOD Single : A 12 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0575 USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= 0.899 (180deg=0.894) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0119 K(o=-0.012,f=-0.97) USER MOD Single : A 35 SER OG : rot 115:sc= 0.347 USER MOD Single : A 38 GLN : amide:sc= -0.0395 X(o=-0.04,f=-0.23) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 140:sc= -0.198 (180deg=-1.59) USER MOD Single : A 45 ASN : amide:sc= -0.0338 K(o=-0.034,f=-1.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0241) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 11 -0.222 -0.381 0.183 1.00 49.53 N ATOM 2 CA TRP A 11 0.611 0.786 0.443 1.00 50.07 C ATOM 3 C TRP A 11 -0.237 2.038 0.631 1.00 50.51 C ATOM 4 O TRP A 11 -1.254 2.217 -0.039 1.00 49.49 O ATOM 5 CB TRP A 11 1.608 0.996 -0.698 1.00 49.82 C ATOM 6 CG TRP A 11 2.544 -0.158 -0.895 1.00 49.97 C ATOM 7 CD1 TRP A 11 2.700 -0.897 -2.029 1.00 50.03 C ATOM 8 CD2 TRP A 11 3.451 -0.706 0.070 1.00 49.98 C ATOM 9 NE1 TRP A 11 3.648 -1.871 -1.832 1.00 49.39 N ATOM 10 CE2 TRP A 11 4.125 -1.773 -0.550 1.00 50.13 C ATOM 11 CE3 TRP A 11 3.759 -0.394 1.400 1.00 49.88 C ATOM 12 CZ2 TRP A 11 5.081 -2.530 0.108 1.00 49.88 C ATOM 13 CZ3 TRP A 11 4.719 -1.152 2.059 1.00 49.88 C ATOM 14 CH2 TRP A 11 5.362 -2.189 1.431 1.00 49.88 C ATOM 0 HA TRP A 11 1.160 0.604 1.367 1.00 50.07 H new ATOM 0 HB2 TRP A 11 1.058 1.169 -1.623 1.00 49.82 H new ATOM 0 HB3 TRP A 11 2.190 1.896 -0.500 1.00 49.82 H new ATOM 0 HD1 TRP A 11 2.157 -0.740 -2.949 1.00 50.03 H new ATOM 0 HE1 TRP A 11 3.948 -2.556 -2.526 1.00 49.39 H new ATOM 0 HE3 TRP A 11 3.260 0.420 1.904 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 5.587 -3.349 -0.382 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 4.964 -0.921 3.085 1.00 49.88 H new ATOM 0 HH2 TRP A 11 6.104 -2.755 1.975 1.00 49.88 H new ATOM 25 N ASN A 12 0.187 2.901 1.548 1.00 49.53 N ATOM 26 CA ASN A 12 -0.534 4.139 1.826 1.00 50.07 C ATOM 27 C ASN A 12 -0.295 5.173 0.734 1.00 50.51 C ATOM 28 O ASN A 12 -1.099 6.084 0.541 1.00 49.49 O ATOM 29 CB ASN A 12 -0.154 4.708 3.181 1.00 49.82 C ATOM 30 CG ASN A 12 -0.672 3.906 4.342 1.00 50.55 C ATOM 31 OD1 ASN A 12 -1.642 3.150 4.216 1.00 49.45 O ATOM 32 ND2 ASN A 12 -0.082 4.127 5.488 1.00 49.38 N ATOM 0 H ASN A 12 1.026 2.766 2.112 1.00 49.53 H new ATOM 0 HA ASN A 12 -1.597 3.897 1.844 1.00 50.07 H new ATOM 0 HB2 ASN A 12 0.932 4.767 3.248 1.00 49.82 H new ATOM 0 HB3 ASN A 12 -0.534 5.727 3.257 1.00 49.82 H new ATOM 0 HD21 ASN A 12 -0.419 3.666 6.333 1.00 49.38 H new ATOM 0 HD22 ASN A 12 0.716 4.761 5.537 1.00 49.38 H new ATOM 39 N THR A 13 0.817 5.027 0.020 1.00 49.53 N ATOM 40 CA THR A 13 1.156 5.938 -1.066 1.00 50.07 C ATOM 41 C THR A 13 2.095 5.278 -2.066 1.00 50.51 C ATOM 42 O THR A 13 2.760 4.290 -1.751 1.00 49.49 O ATOM 43 CB THR A 13 1.809 7.229 -0.538 1.00 50.14 C ATOM 44 OG1 THR A 13 2.018 8.141 -1.624 1.00 49.34 O ATOM 45 CG2 THR A 13 3.143 6.920 0.123 1.00 49.73 C ATOM 0 H THR A 13 1.499 4.285 0.175 1.00 49.53 H new ATOM 0 HA THR A 13 0.221 6.193 -1.565 1.00 50.07 H new ATOM 0 HB THR A 13 1.145 7.678 0.200 1.00 50.14 H new ATOM 0 HG1 THR A 13 2.432 8.963 -1.286 1.00 49.34 H new ATOM 0 HG21 THR A 13 3.590 7.844 0.490 1.00 49.73 H new ATOM 0 HG22 THR A 13 2.986 6.236 0.957 1.00 49.73 H new ATOM 0 HG23 THR A 13 3.811 6.458 -0.604 1.00 49.73 H new ATOM 53 N LYS A 14 2.147 5.829 -3.275 1.00 49.53 N ATOM 54 CA LYS A 14 2.982 5.275 -4.333 1.00 50.07 C ATOM 55 C LYS A 14 4.450 5.258 -3.927 1.00 50.51 C ATOM 56 O LYS A 14 5.210 4.384 -4.344 1.00 49.49 O ATOM 57 CB LYS A 14 2.804 6.071 -5.628 1.00 49.82 C ATOM 58 CG LYS A 14 1.483 5.820 -6.344 1.00 49.82 C ATOM 59 CD LYS A 14 1.464 6.478 -7.715 1.00 49.82 C ATOM 60 CE LYS A 14 1.312 7.988 -7.603 1.00 50.21 C ATOM 61 NZ LYS A 14 1.195 8.636 -8.938 1.00 49.70 N ATOM 0 H LYS A 14 1.620 6.659 -3.545 1.00 49.53 H new ATOM 0 HA LYS A 14 2.664 4.246 -4.502 1.00 50.07 H new ATOM 0 HB2 LYS A 14 2.884 7.134 -5.401 1.00 49.82 H new ATOM 0 HB3 LYS A 14 3.623 5.827 -6.305 1.00 49.82 H new ATOM 0 HG2 LYS A 14 1.323 4.747 -6.451 1.00 49.82 H new ATOM 0 HG3 LYS A 14 0.661 6.206 -5.741 1.00 49.82 H new ATOM 0 HD2 LYS A 14 2.386 6.242 -8.247 1.00 49.82 H new ATOM 0 HD3 LYS A 14 0.643 6.071 -8.305 1.00 49.82 H new ATOM 0 HE2 LYS A 14 0.429 8.221 -7.008 1.00 50.21 H new ATOM 0 HE3 LYS A 14 2.171 8.401 -7.073 1.00 50.21 H new ATOM 0 HZ1 LYS A 14 0.992 9.649 -8.816 1.00 49.70 H new ATOM 0 HZ2 LYS A 14 2.088 8.523 -9.458 1.00 49.70 H new ATOM 0 HZ3 LYS A 14 0.423 8.190 -9.474 1.00 49.70 H new ATOM 75 N GLU A 15 4.843 6.230 -3.111 1.00 49.53 N ATOM 76 CA GLU A 15 6.230 6.354 -2.679 1.00 50.07 C ATOM 77 C GLU A 15 6.689 5.108 -1.934 1.00 50.51 C ATOM 78 O GLU A 15 7.849 4.707 -2.028 1.00 49.49 O ATOM 79 CB GLU A 15 6.409 7.591 -1.796 1.00 49.82 C ATOM 80 CG GLU A 15 6.210 8.914 -2.521 1.00 49.72 C ATOM 81 CD GLU A 15 7.155 9.049 -3.682 1.00 50.62 C ATOM 82 OE1 GLU A 15 8.326 8.817 -3.501 1.00 49.24 O ATOM 83 OE2 GLU A 15 6.692 9.272 -4.776 1.00 49.24 O ATOM 0 H GLU A 15 4.219 6.944 -2.735 1.00 49.53 H new ATOM 0 HA GLU A 15 6.847 6.464 -3.571 1.00 50.07 H new ATOM 0 HB2 GLU A 15 5.704 7.535 -0.966 1.00 49.82 H new ATOM 0 HB3 GLU A 15 7.410 7.573 -1.365 1.00 49.82 H new ATOM 0 HG2 GLU A 15 5.182 8.985 -2.876 1.00 49.72 H new ATOM 0 HG3 GLU A 15 6.365 9.739 -1.826 1.00 49.72 H new ATOM 90 N GLU A 16 5.771 4.498 -1.190 1.00 49.53 N ATOM 91 CA GLU A 16 6.071 3.278 -0.451 1.00 50.07 C ATOM 92 C GLU A 16 6.284 2.100 -1.393 1.00 50.51 C ATOM 93 O GLU A 16 7.152 1.258 -1.163 1.00 49.49 O ATOM 94 CB GLU A 16 4.949 2.962 0.540 1.00 49.82 C ATOM 95 CG GLU A 16 4.861 3.922 1.719 1.00 49.72 C ATOM 96 CD GLU A 16 3.661 3.627 2.575 1.00 50.62 C ATOM 97 OE1 GLU A 16 2.907 2.752 2.227 1.00 49.24 O ATOM 98 OE2 GLU A 16 3.559 4.199 3.635 1.00 49.24 O ATOM 0 H GLU A 16 4.812 4.830 -1.083 1.00 49.53 H new ATOM 0 HA GLU A 16 6.996 3.443 0.102 1.00 50.07 H new ATOM 0 HB2 GLU A 16 3.998 2.971 0.008 1.00 49.82 H new ATOM 0 HB3 GLU A 16 5.091 1.951 0.921 1.00 49.82 H new ATOM 0 HG2 GLU A 16 5.767 3.847 2.321 1.00 49.72 H new ATOM 0 HG3 GLU A 16 4.806 4.947 1.353 1.00 49.72 H new ATOM 105 N ALA A 17 5.487 2.046 -2.454 1.00 49.53 N ATOM 106 CA ALA A 17 5.660 1.038 -3.493 1.00 50.07 C ATOM 107 C ALA A 17 6.986 1.219 -4.221 1.00 50.51 C ATOM 108 O ALA A 17 7.648 0.245 -4.576 1.00 49.49 O ATOM 109 CB ALA A 17 4.500 1.085 -4.475 1.00 49.73 C ATOM 0 H ALA A 17 4.713 2.690 -2.617 1.00 49.53 H new ATOM 0 HA ALA A 17 5.673 0.059 -3.014 1.00 50.07 H new ATOM 0 HB1 ALA A 17 4.644 0.327 -5.245 1.00 49.73 H new ATOM 0 HB2 ALA A 17 3.567 0.892 -3.945 1.00 49.73 H new ATOM 0 HB3 ALA A 17 4.457 2.070 -4.940 1.00 49.73 H new ATOM 115 N LYS A 18 7.367 2.473 -4.442 1.00 49.53 N ATOM 116 CA LYS A 18 8.622 2.786 -5.115 1.00 50.07 C ATOM 117 C LYS A 18 9.815 2.269 -4.321 1.00 50.51 C ATOM 118 O LYS A 18 10.733 1.669 -4.880 1.00 49.49 O ATOM 119 CB LYS A 18 8.750 4.293 -5.336 1.00 49.82 C ATOM 120 CG LYS A 18 7.784 4.862 -6.367 1.00 49.82 C ATOM 121 CD LYS A 18 7.930 6.372 -6.489 1.00 49.82 C ATOM 122 CE LYS A 18 6.889 6.955 -7.433 1.00 50.21 C ATOM 123 NZ LYS A 18 7.000 8.435 -7.537 1.00 49.70 N ATOM 0 H LYS A 18 6.823 3.290 -4.164 1.00 49.53 H new ATOM 0 HA LYS A 18 8.615 2.287 -6.084 1.00 50.07 H new ATOM 0 HB2 LYS A 18 8.589 4.802 -4.386 1.00 49.82 H new ATOM 0 HB3 LYS A 18 9.770 4.517 -5.649 1.00 49.82 H new ATOM 0 HG2 LYS A 18 7.968 4.397 -7.336 1.00 49.82 H new ATOM 0 HG3 LYS A 18 6.761 4.615 -6.084 1.00 49.82 H new ATOM 0 HD2 LYS A 18 7.828 6.830 -5.505 1.00 49.82 H new ATOM 0 HD3 LYS A 18 8.929 6.615 -6.852 1.00 49.82 H new ATOM 0 HE2 LYS A 18 7.007 6.512 -8.422 1.00 50.21 H new ATOM 0 HE3 LYS A 18 5.892 6.690 -7.082 1.00 50.21 H new ATOM 0 HZ1 LYS A 18 6.252 8.796 -8.163 1.00 49.70 H new ATOM 0 HZ2 LYS A 18 6.896 8.858 -6.593 1.00 49.70 H new ATOM 0 HZ3 LYS A 18 7.930 8.687 -7.928 1.00 49.70 H new ATOM 137 N GLN A 19 9.798 2.506 -3.013 1.00 49.53 N ATOM 138 CA GLN A 19 10.877 2.066 -2.140 1.00 50.07 C ATOM 139 C GLN A 19 10.980 0.546 -2.114 1.00 50.51 C ATOM 140 O GLN A 19 12.063 -0.016 -2.278 1.00 49.49 O ATOM 141 CB GLN A 19 10.667 2.593 -0.719 1.00 49.82 C ATOM 142 CG GLN A 19 10.898 4.088 -0.568 1.00 49.82 C ATOM 143 CD GLN A 19 10.552 4.590 0.821 1.00 50.55 C ATOM 144 OE1 GLN A 19 10.111 3.823 1.682 1.00 49.45 O ATOM 145 NE2 GLN A 19 10.744 5.886 1.045 1.00 49.38 N ATOM 0 H GLN A 19 9.046 3.002 -2.535 1.00 49.53 H new ATOM 0 HA GLN A 19 11.808 2.469 -2.538 1.00 50.07 H new ATOM 0 HB2 GLN A 19 9.650 2.360 -0.404 1.00 49.82 H new ATOM 0 HB3 GLN A 19 11.339 2.063 -0.044 1.00 49.82 H new ATOM 0 HG2 GLN A 19 11.942 4.315 -0.784 1.00 49.82 H new ATOM 0 HG3 GLN A 19 10.297 4.622 -1.304 1.00 49.82 H new ATOM 0 HE21 GLN A 19 11.111 6.483 0.304 1.00 49.38 H new ATOM 0 HE22 GLN A 19 10.525 6.284 1.958 1.00 49.38 H new ATOM 154 N ALA A 20 9.846 -0.115 -1.906 1.00 49.53 N ATOM 155 CA ALA A 20 9.804 -1.572 -1.869 1.00 50.07 C ATOM 156 C ALA A 20 10.250 -2.169 -3.198 1.00 50.51 C ATOM 157 O ALA A 20 10.919 -3.202 -3.230 1.00 49.49 O ATOM 158 CB ALA A 20 8.406 -2.052 -1.511 1.00 49.73 C ATOM 0 H ALA A 20 8.943 0.336 -1.760 1.00 49.53 H new ATOM 0 HA ALA A 20 10.498 -1.911 -1.100 1.00 50.07 H new ATOM 0 HB1 ALA A 20 8.390 -3.142 -1.487 1.00 49.73 H new ATOM 0 HB2 ALA A 20 8.128 -1.664 -0.531 1.00 49.73 H new ATOM 0 HB3 ALA A 20 7.696 -1.695 -2.258 1.00 49.73 H new ATOM 164 N PHE A 21 9.876 -1.513 -4.291 1.00 49.53 N ATOM 165 CA PHE A 21 10.300 -1.936 -5.620 1.00 50.07 C ATOM 166 C PHE A 21 11.819 -1.927 -5.742 1.00 50.51 C ATOM 167 O PHE A 21 12.421 -2.905 -6.186 1.00 49.49 O ATOM 168 CB PHE A 21 9.681 -1.035 -6.690 1.00 49.82 C ATOM 169 CG PHE A 21 10.015 -1.446 -8.095 1.00 50.00 C ATOM 170 CD1 PHE A 21 9.325 -2.478 -8.715 1.00 49.88 C ATOM 171 CD2 PHE A 21 11.021 -0.803 -8.801 1.00 49.88 C ATOM 172 CE1 PHE A 21 9.631 -2.856 -10.009 1.00 49.88 C ATOM 173 CE2 PHE A 21 11.330 -1.179 -10.094 1.00 49.88 C ATOM 174 CZ PHE A 21 10.634 -2.207 -10.699 1.00 49.88 C ATOM 0 H PHE A 21 9.280 -0.686 -4.282 1.00 49.53 H new ATOM 0 HA PHE A 21 9.952 -2.958 -5.773 1.00 50.07 H new ATOM 0 HB2 PHE A 21 8.598 -1.035 -6.569 1.00 49.82 H new ATOM 0 HB3 PHE A 21 10.020 -0.011 -6.530 1.00 49.82 H new ATOM 0 HD1 PHE A 21 8.540 -2.992 -8.180 1.00 49.88 H new ATOM 0 HD2 PHE A 21 11.570 0.002 -8.334 1.00 49.88 H new ATOM 0 HE1 PHE A 21 9.085 -3.660 -10.480 1.00 49.88 H new ATOM 0 HE2 PHE A 21 12.116 -0.669 -10.632 1.00 49.88 H new ATOM 0 HZ PHE A 21 10.874 -2.502 -11.710 1.00 49.88 H new ATOM 184 N LYS A 22 12.432 -0.817 -5.347 1.00 49.53 N ATOM 185 CA LYS A 22 13.883 -0.680 -5.408 1.00 50.07 C ATOM 186 C LYS A 22 14.569 -1.688 -4.494 1.00 50.51 C ATOM 187 O LYS A 22 15.646 -2.193 -4.810 1.00 49.49 O ATOM 188 CB LYS A 22 14.303 0.741 -5.032 1.00 49.82 C ATOM 189 CG LYS A 22 13.919 1.802 -6.056 1.00 49.82 C ATOM 190 CD LYS A 22 14.350 3.189 -5.605 1.00 49.82 C ATOM 191 CE LYS A 22 13.943 4.252 -6.614 1.00 50.21 C ATOM 192 NZ LYS A 22 14.344 5.617 -6.176 1.00 49.70 N ATOM 0 H LYS A 22 11.947 0.002 -4.981 1.00 49.53 H new ATOM 0 HA LYS A 22 14.195 -0.881 -6.433 1.00 50.07 H new ATOM 0 HB2 LYS A 22 13.852 0.998 -4.073 1.00 49.82 H new ATOM 0 HB3 LYS A 22 15.384 0.763 -4.892 1.00 49.82 H new ATOM 0 HG2 LYS A 22 14.382 1.569 -7.015 1.00 49.82 H new ATOM 0 HG3 LYS A 22 12.840 1.787 -6.211 1.00 49.82 H new ATOM 0 HD2 LYS A 22 13.903 3.414 -4.637 1.00 49.82 H new ATOM 0 HD3 LYS A 22 15.431 3.209 -5.469 1.00 49.82 H new ATOM 0 HE2 LYS A 22 14.401 4.031 -7.578 1.00 50.21 H new ATOM 0 HE3 LYS A 22 12.863 4.220 -6.759 1.00 50.21 H new ATOM 0 HZ1 LYS A 22 14.048 6.312 -6.891 1.00 49.70 H new ATOM 0 HZ2 LYS A 22 13.887 5.839 -5.268 1.00 49.70 H new ATOM 0 HZ3 LYS A 22 15.377 5.656 -6.062 1.00 49.70 H new ATOM 206 N GLU A 23 13.940 -1.975 -3.360 1.00 49.53 N ATOM 207 CA GLU A 23 14.459 -2.969 -2.427 1.00 50.07 C ATOM 208 C GLU A 23 14.508 -4.351 -3.065 1.00 50.51 C ATOM 209 O GLU A 23 15.475 -5.092 -2.890 1.00 49.49 O ATOM 210 CB GLU A 23 13.606 -3.007 -1.157 1.00 49.82 C ATOM 211 CG GLU A 23 13.808 -1.818 -0.228 1.00 49.72 C ATOM 212 CD GLU A 23 12.776 -1.797 0.865 1.00 50.62 C ATOM 213 OE1 GLU A 23 11.897 -2.624 0.842 1.00 49.24 O ATOM 214 OE2 GLU A 23 12.931 -1.029 1.786 1.00 49.24 O ATOM 0 H GLU A 23 13.069 -1.533 -3.064 1.00 49.53 H new ATOM 0 HA GLU A 23 15.476 -2.679 -2.163 1.00 50.07 H new ATOM 0 HB2 GLU A 23 12.555 -3.056 -1.441 1.00 49.82 H new ATOM 0 HB3 GLU A 23 13.831 -3.922 -0.610 1.00 49.82 H new ATOM 0 HG2 GLU A 23 14.805 -1.862 0.211 1.00 49.72 H new ATOM 0 HG3 GLU A 23 13.753 -0.892 -0.801 1.00 49.72 H new ATOM 221 N LEU A 24 13.461 -4.692 -3.807 1.00 49.53 N ATOM 222 CA LEU A 24 13.415 -5.956 -4.534 1.00 50.07 C ATOM 223 C LEU A 24 14.451 -5.987 -5.650 1.00 50.51 C ATOM 224 O LEU A 24 15.021 -7.034 -5.953 1.00 49.49 O ATOM 225 CB LEU A 24 12.010 -6.190 -5.103 1.00 49.82 C ATOM 226 CG LEU A 24 10.927 -6.499 -4.061 1.00 49.91 C ATOM 227 CD1 LEU A 24 9.568 -6.609 -4.738 1.00 49.73 C ATOM 228 CD2 LEU A 24 11.274 -7.790 -3.335 1.00 49.73 C ATOM 0 H LEU A 24 12.631 -4.110 -3.921 1.00 49.53 H new ATOM 0 HA LEU A 24 13.651 -6.758 -3.834 1.00 50.07 H new ATOM 0 HB2 LEU A 24 11.710 -5.305 -5.664 1.00 49.82 H new ATOM 0 HB3 LEU A 24 12.056 -7.016 -5.812 1.00 49.82 H new ATOM 0 HG LEU A 24 10.881 -5.689 -3.333 1.00 49.91 H new ATOM 0 HD11 LEU A 24 8.806 -6.828 -3.990 1.00 49.73 H new ATOM 0 HD12 LEU A 24 9.331 -5.667 -5.233 1.00 49.73 H new ATOM 0 HD13 LEU A 24 9.593 -7.410 -5.477 1.00 49.73 H new ATOM 0 HD21 LEU A 24 10.505 -8.009 -2.595 1.00 49.73 H new ATOM 0 HD22 LEU A 24 11.330 -8.608 -4.054 1.00 49.73 H new ATOM 0 HD23 LEU A 24 12.237 -7.679 -2.836 1.00 49.73 H new ATOM 240 N LEU A 25 14.690 -4.830 -6.261 1.00 49.53 N ATOM 241 CA LEU A 25 15.732 -4.699 -7.272 1.00 50.07 C ATOM 242 C LEU A 25 17.107 -4.999 -6.689 1.00 50.51 C ATOM 243 O LEU A 25 17.954 -5.600 -7.349 1.00 49.49 O ATOM 244 CB LEU A 25 15.707 -3.291 -7.880 1.00 49.82 C ATOM 245 CG LEU A 25 14.952 -3.168 -9.210 1.00 49.91 C ATOM 246 CD1 LEU A 25 13.661 -3.974 -9.154 1.00 49.73 C ATOM 247 CD2 LEU A 25 14.660 -1.702 -9.496 1.00 49.73 C ATOM 0 H LEU A 25 14.175 -3.970 -6.073 1.00 49.53 H new ATOM 0 HA LEU A 25 15.534 -5.428 -8.058 1.00 50.07 H new ATOM 0 HB2 LEU A 25 15.255 -2.609 -7.159 1.00 49.82 H new ATOM 0 HB3 LEU A 25 16.734 -2.960 -8.032 1.00 49.82 H new ATOM 0 HG LEU A 25 15.568 -3.566 -10.016 1.00 49.91 H new ATOM 0 HD11 LEU A 25 13.132 -3.880 -10.103 1.00 49.73 H new ATOM 0 HD12 LEU A 25 13.895 -5.023 -8.971 1.00 49.73 H new ATOM 0 HD13 LEU A 25 13.031 -3.596 -8.349 1.00 49.73 H new ATOM 0 HD21 LEU A 25 14.124 -1.615 -10.441 1.00 49.73 H new ATOM 0 HD22 LEU A 25 14.049 -1.289 -8.693 1.00 49.73 H new ATOM 0 HD23 LEU A 25 15.598 -1.150 -9.559 1.00 49.73 H new ATOM 259 N LYS A 26 17.322 -4.577 -5.446 1.00 49.53 N ATOM 260 CA LYS A 26 18.572 -4.857 -4.749 1.00 50.07 C ATOM 261 C LYS A 26 18.604 -6.287 -4.228 1.00 50.51 C ATOM 262 O LYS A 26 19.672 -6.877 -4.071 1.00 49.49 O ATOM 263 CB LYS A 26 18.771 -3.872 -3.595 1.00 49.82 C ATOM 264 CG LYS A 26 18.966 -2.425 -4.030 1.00 49.82 C ATOM 265 CD LYS A 26 19.107 -1.502 -2.830 1.00 49.82 C ATOM 266 CE LYS A 26 19.260 -0.051 -3.261 1.00 50.21 C ATOM 267 NZ LYS A 26 19.409 0.864 -2.097 1.00 49.70 N ATOM 0 H LYS A 26 16.647 -4.040 -4.902 1.00 49.53 H new ATOM 0 HA LYS A 26 19.387 -4.737 -5.463 1.00 50.07 H new ATOM 0 HB2 LYS A 26 17.906 -3.927 -2.934 1.00 49.82 H new ATOM 0 HB3 LYS A 26 19.638 -4.184 -3.013 1.00 49.82 H new ATOM 0 HG2 LYS A 26 19.854 -2.348 -4.657 1.00 49.82 H new ATOM 0 HG3 LYS A 26 18.118 -2.108 -4.638 1.00 49.82 H new ATOM 0 HD2 LYS A 26 18.232 -1.602 -2.187 1.00 49.82 H new ATOM 0 HD3 LYS A 26 19.973 -1.801 -2.239 1.00 49.82 H new ATOM 0 HE2 LYS A 26 20.130 0.044 -3.911 1.00 50.21 H new ATOM 0 HE3 LYS A 26 18.390 0.247 -3.847 1.00 50.21 H new ATOM 0 HZ1 LYS A 26 19.510 1.842 -2.435 1.00 49.70 H new ATOM 0 HZ2 LYS A 26 18.568 0.793 -1.490 1.00 49.70 H new ATOM 0 HZ3 LYS A 26 20.253 0.597 -1.551 1.00 49.70 H new ATOM 281 N GLU A 27 17.426 -6.841 -3.960 1.00 49.53 N ATOM 282 CA GLU A 27 17.314 -8.220 -3.499 1.00 50.07 C ATOM 283 C GLU A 27 17.679 -9.203 -4.604 1.00 50.51 C ATOM 284 O GLU A 27 18.326 -10.220 -4.354 1.00 49.49 O ATOM 285 CB GLU A 27 15.898 -8.502 -2.991 1.00 49.82 C ATOM 286 CG GLU A 27 15.692 -9.912 -2.457 1.00 49.72 C ATOM 287 CD GLU A 27 16.506 -10.151 -1.215 1.00 50.62 C ATOM 288 OE1 GLU A 27 17.038 -9.206 -0.686 1.00 49.24 O ATOM 289 OE2 GLU A 27 16.504 -11.259 -0.733 1.00 49.24 O ATOM 0 H GLU A 27 16.534 -6.355 -4.054 1.00 49.53 H new ATOM 0 HA GLU A 27 18.018 -8.354 -2.678 1.00 50.07 H new ATOM 0 HB2 GLU A 27 15.659 -7.789 -2.202 1.00 49.82 H new ATOM 0 HB3 GLU A 27 15.192 -8.327 -3.803 1.00 49.82 H new ATOM 0 HG2 GLU A 27 14.636 -10.069 -2.238 1.00 49.72 H new ATOM 0 HG3 GLU A 27 15.970 -10.637 -3.222 1.00 49.72 H new ATOM 296 N LYS A 28 17.261 -8.892 -5.826 1.00 49.53 N ATOM 297 CA LYS A 28 17.570 -9.732 -6.978 1.00 50.07 C ATOM 298 C LYS A 28 18.863 -9.290 -7.650 1.00 50.51 C ATOM 299 O LYS A 28 19.338 -9.932 -8.586 1.00 49.49 O ATOM 300 CB LYS A 28 16.418 -9.706 -7.984 1.00 49.82 C ATOM 301 CG LYS A 28 15.102 -10.256 -7.448 1.00 49.82 C ATOM 302 CD LYS A 28 15.239 -11.714 -7.035 1.00 49.82 C ATOM 303 CE LYS A 28 13.912 -12.280 -6.552 1.00 50.21 C ATOM 304 NZ LYS A 28 14.040 -13.693 -6.103 1.00 49.70 N ATOM 0 H LYS A 28 16.707 -8.064 -6.045 1.00 49.53 H new ATOM 0 HA LYS A 28 17.704 -10.753 -6.620 1.00 50.07 H new ATOM 0 HB2 LYS A 28 16.262 -8.678 -8.312 1.00 49.82 H new ATOM 0 HB3 LYS A 28 16.707 -10.281 -8.864 1.00 49.82 H new ATOM 0 HG2 LYS A 28 14.779 -9.662 -6.593 1.00 49.82 H new ATOM 0 HG3 LYS A 28 14.329 -10.163 -8.211 1.00 49.82 H new ATOM 0 HD2 LYS A 28 15.601 -12.301 -7.879 1.00 49.82 H new ATOM 0 HD3 LYS A 28 15.983 -11.801 -6.244 1.00 49.82 H new ATOM 0 HE2 LYS A 28 13.536 -11.671 -5.730 1.00 50.21 H new ATOM 0 HE3 LYS A 28 13.178 -12.220 -7.356 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 13.114 -14.040 -5.782 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 14.375 -14.280 -6.894 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 14.721 -13.748 -5.319 1.00 49.70 H new ATOM 318 N ARG A 29 19.427 -8.188 -7.168 1.00 49.53 N ATOM 319 CA ARG A 29 20.684 -7.675 -7.700 1.00 50.07 C ATOM 320 C ARG A 29 20.608 -7.489 -9.211 1.00 50.51 C ATOM 321 O ARG A 29 21.421 -8.039 -9.955 1.00 49.49 O ATOM 322 CB ARG A 29 21.871 -8.542 -7.304 1.00 49.82 C ATOM 323 CG ARG A 29 22.136 -8.619 -5.809 1.00 49.82 C ATOM 324 CD ARG A 29 23.390 -9.327 -5.445 1.00 50.20 C ATOM 325 NE ARG A 29 23.534 -9.607 -4.026 1.00 49.30 N ATOM 326 CZ ARG A 29 24.612 -10.193 -3.467 1.00 50.64 C ATOM 327 NH1 ARG A 29 25.623 -10.593 -4.204 1.00 49.20 N ATOM 328 NH2 ARG A 29 24.614 -10.374 -2.158 1.00 49.20 N ATOM 0 H ARG A 29 19.033 -7.632 -6.409 1.00 49.53 H new ATOM 0 HA ARG A 29 20.846 -6.695 -7.251 1.00 50.07 H new ATOM 0 HB2 ARG A 29 21.707 -9.551 -7.682 1.00 49.82 H new ATOM 0 HB3 ARG A 29 22.764 -8.158 -7.797 1.00 49.82 H new ATOM 0 HG2 ARG A 29 22.174 -7.607 -5.406 1.00 49.82 H new ATOM 0 HG3 ARG A 29 21.296 -9.122 -5.329 1.00 49.82 H new ATOM 0 HD2 ARG A 29 23.434 -10.267 -5.994 1.00 50.20 H new ATOM 0 HD3 ARG A 29 24.239 -8.727 -5.772 1.00 50.20 H new ATOM 0 HE ARG A 29 22.766 -9.342 -3.410 1.00 49.30 H new ATOM 0 HH11 ARG A 29 25.600 -10.462 -5.215 1.00 49.20 H new ATOM 0 HH12 ARG A 29 26.431 -11.035 -3.765 1.00 49.20 H new ATOM 0 HH21 ARG A 29 23.815 -10.073 -1.600 1.00 49.20 H new ATOM 0 HH22 ARG A 29 25.415 -10.815 -1.705 1.00 49.20 H new ATOM 342 N VAL A 30 19.628 -6.712 -9.657 1.00 49.53 N ATOM 343 CA VAL A 30 19.415 -6.490 -11.082 1.00 50.07 C ATOM 344 C VAL A 30 20.597 -5.760 -11.709 1.00 50.51 C ATOM 345 O VAL A 30 21.203 -4.890 -11.085 1.00 49.49 O ATOM 346 CB VAL A 30 18.129 -5.684 -11.343 1.00 49.91 C ATOM 347 CG1 VAL A 30 16.925 -6.394 -10.742 1.00 49.73 C ATOM 348 CG2 VAL A 30 18.257 -4.280 -10.774 1.00 49.73 C ATOM 0 H VAL A 30 18.968 -6.225 -9.051 1.00 49.53 H new ATOM 0 HA VAL A 30 19.315 -7.474 -11.541 1.00 50.07 H new ATOM 0 HB VAL A 30 17.982 -5.608 -12.420 1.00 49.91 H new ATOM 0 HG11 VAL A 30 16.025 -5.811 -10.936 1.00 49.73 H new ATOM 0 HG12 VAL A 30 16.822 -7.381 -11.193 1.00 49.73 H new ATOM 0 HG13 VAL A 30 17.065 -6.500 -9.666 1.00 49.73 H new ATOM 0 HG21 VAL A 30 17.340 -3.724 -10.967 1.00 49.73 H new ATOM 0 HG22 VAL A 30 18.427 -4.337 -9.699 1.00 49.73 H new ATOM 0 HG23 VAL A 30 19.096 -3.771 -11.247 1.00 49.73 H new ATOM 358 N PRO A 31 20.919 -6.121 -12.947 1.00 49.71 N ATOM 359 CA PRO A 31 22.031 -5.504 -13.659 1.00 50.02 C ATOM 360 C PRO A 31 21.846 -3.996 -13.770 1.00 50.51 C ATOM 361 O PRO A 31 20.732 -3.512 -13.971 1.00 49.49 O ATOM 362 CB PRO A 31 22.024 -6.191 -15.035 1.00 49.82 C ATOM 363 CG PRO A 31 21.361 -7.520 -14.801 1.00 49.82 C ATOM 364 CD PRO A 31 20.177 -7.067 -13.790 1.00 50.00 C ATOM 0 HA PRO A 31 22.984 -5.633 -13.146 1.00 50.02 H new ATOM 0 HB2 PRO A 31 21.476 -5.600 -15.769 1.00 49.82 H new ATOM 0 HB3 PRO A 31 23.036 -6.317 -15.419 1.00 49.82 H new ATOM 0 HG2 PRO A 31 20.978 -7.963 -15.720 1.00 49.82 H new ATOM 0 HG3 PRO A 31 22.036 -8.250 -14.353 1.00 49.82 H new ATOM 0 HD2 PRO A 31 19.341 -6.598 -14.309 1.00 50.00 H new ATOM 0 HD3 PRO A 31 19.770 -7.903 -13.221 1.00 50.00 H new ATOM 372 N SER A 32 22.942 -3.258 -13.637 1.00 49.53 N ATOM 373 CA SER A 32 22.907 -1.805 -13.751 1.00 50.07 C ATOM 374 C SER A 32 22.519 -1.373 -15.160 1.00 50.51 C ATOM 375 O SER A 32 22.086 -0.241 -15.374 1.00 49.49 O ATOM 376 CB SER A 32 24.252 -1.219 -13.370 1.00 50.05 C ATOM 377 OG SER A 32 25.258 -1.576 -14.278 1.00 49.34 O ATOM 0 H SER A 32 23.868 -3.643 -13.450 1.00 49.53 H new ATOM 0 HA SER A 32 22.149 -1.428 -13.064 1.00 50.07 H new ATOM 0 HB2 SER A 32 24.174 -0.133 -13.324 1.00 50.05 H new ATOM 0 HB3 SER A 32 24.527 -1.561 -12.372 1.00 50.05 H new ATOM 0 HG SER A 32 26.108 -1.177 -13.998 1.00 49.34 H new ATOM 383 N ASN A 33 22.677 -2.281 -16.117 1.00 49.53 N ATOM 384 CA ASN A 33 22.356 -1.991 -17.509 1.00 50.07 C ATOM 385 C ASN A 33 20.965 -2.494 -17.870 1.00 50.51 C ATOM 386 O ASN A 33 20.497 -2.303 -18.992 1.00 49.49 O ATOM 387 CB ASN A 33 23.389 -2.581 -18.451 1.00 49.82 C ATOM 388 CG ASN A 33 24.736 -1.919 -18.365 1.00 50.55 C ATOM 389 OD1 ASN A 33 24.848 -0.732 -18.039 1.00 49.45 O ATOM 390 ND2 ASN A 33 25.752 -2.656 -18.735 1.00 49.38 N ATOM 0 H ASN A 33 23.026 -3.225 -15.953 1.00 49.53 H new ATOM 0 HA ASN A 33 22.371 -0.907 -17.624 1.00 50.07 H new ATOM 0 HB2 ASN A 33 23.502 -3.643 -18.233 1.00 49.82 H new ATOM 0 HB3 ASN A 33 23.021 -2.503 -19.474 1.00 49.82 H new ATOM 0 HD21 ASN A 33 26.689 -2.255 -18.764 1.00 49.38 H new ATOM 0 HD22 ASN A 33 25.607 -3.632 -18.995 1.00 49.38 H new ATOM 397 N ALA A 34 20.307 -3.138 -16.912 1.00 49.53 N ATOM 398 CA ALA A 34 18.962 -3.660 -17.124 1.00 50.07 C ATOM 399 C ALA A 34 17.931 -2.539 -17.133 1.00 50.51 C ATOM 400 O ALA A 34 18.066 -1.553 -16.409 1.00 49.49 O ATOM 401 CB ALA A 34 18.620 -4.690 -16.057 1.00 49.73 C ATOM 0 H ALA A 34 20.684 -3.311 -15.980 1.00 49.53 H new ATOM 0 HA ALA A 34 18.938 -4.145 -18.100 1.00 50.07 H new ATOM 0 HB1 ALA A 34 17.613 -5.071 -16.228 1.00 49.73 H new ATOM 0 HB2 ALA A 34 19.332 -5.514 -16.105 1.00 49.73 H new ATOM 0 HB3 ALA A 34 18.669 -4.224 -15.073 1.00 49.73 H new ATOM 407 N SER A 35 16.902 -2.696 -17.958 1.00 49.53 N ATOM 408 CA SER A 35 15.828 -1.714 -18.040 1.00 50.07 C ATOM 409 C SER A 35 14.907 -1.802 -16.829 1.00 50.51 C ATOM 410 O SER A 35 15.001 -2.736 -16.033 1.00 49.49 O ATOM 411 CB SER A 35 15.038 -1.908 -19.320 1.00 50.05 C ATOM 412 OG SER A 35 14.285 -3.090 -19.298 1.00 49.34 O ATOM 0 H SER A 35 16.789 -3.496 -18.581 1.00 49.53 H new ATOM 0 HA SER A 35 16.277 -0.721 -18.048 1.00 50.07 H new ATOM 0 HB2 SER A 35 14.373 -1.057 -19.468 1.00 50.05 H new ATOM 0 HB3 SER A 35 15.722 -1.930 -20.168 1.00 50.05 H new ATOM 0 HG SER A 35 13.330 -2.870 -19.314 1.00 49.34 H new ATOM 418 N TRP A 36 14.019 -0.823 -16.695 1.00 49.53 N ATOM 419 CA TRP A 36 13.049 -0.812 -15.607 1.00 50.07 C ATOM 420 C TRP A 36 12.099 -1.999 -15.705 1.00 50.51 C ATOM 421 O TRP A 36 11.710 -2.580 -14.693 1.00 49.49 O ATOM 422 CB TRP A 36 12.256 0.497 -15.611 1.00 49.82 C ATOM 423 CG TRP A 36 13.027 1.664 -15.072 1.00 49.97 C ATOM 424 CD1 TRP A 36 13.535 2.705 -15.789 1.00 50.03 C ATOM 425 CD2 TRP A 36 13.374 1.909 -13.705 1.00 49.98 C ATOM 426 NE1 TRP A 36 14.181 3.584 -14.955 1.00 49.39 N ATOM 427 CE2 TRP A 36 14.094 3.117 -13.667 1.00 50.13 C ATOM 428 CE3 TRP A 36 13.145 1.222 -12.506 1.00 49.88 C ATOM 429 CZ2 TRP A 36 14.586 3.652 -12.488 1.00 49.88 C ATOM 430 CZ3 TRP A 36 13.639 1.760 -11.322 1.00 49.88 C ATOM 431 CH2 TRP A 36 14.338 2.940 -11.314 1.00 49.88 C ATOM 0 H TRP A 36 13.951 -0.026 -17.328 1.00 49.53 H new ATOM 0 HA TRP A 36 13.598 -0.891 -14.669 1.00 50.07 H new ATOM 0 HB2 TRP A 36 11.942 0.719 -16.631 1.00 49.82 H new ATOM 0 HB3 TRP A 36 11.350 0.366 -15.019 1.00 49.82 H new ATOM 0 HD1 TRP A 36 13.443 2.822 -16.859 1.00 50.03 H new ATOM 0 HE1 TRP A 36 14.649 4.443 -15.245 1.00 49.39 H new ATOM 0 HE3 TRP A 36 12.595 0.292 -12.501 1.00 49.88 H new ATOM 0 HZ2 TRP A 36 15.138 4.580 -12.478 1.00 49.88 H new ATOM 0 HZ3 TRP A 36 13.469 1.239 -10.392 1.00 49.88 H new ATOM 0 HH2 TRP A 36 14.706 3.328 -10.375 1.00 49.88 H new ATOM 442 N GLU A 37 11.728 -2.353 -16.931 1.00 49.53 N ATOM 443 CA GLU A 37 10.853 -3.496 -17.167 1.00 50.07 C ATOM 444 C GLU A 37 11.570 -4.807 -16.874 1.00 50.51 C ATOM 445 O GLU A 37 10.999 -5.716 -16.271 1.00 49.49 O ATOM 446 CB GLU A 37 10.338 -3.488 -18.608 1.00 49.82 C ATOM 447 CG GLU A 37 9.348 -2.373 -18.916 1.00 49.72 C ATOM 448 CD GLU A 37 8.987 -2.352 -20.375 1.00 50.62 C ATOM 449 OE1 GLU A 37 9.543 -3.124 -21.117 1.00 49.24 O ATOM 450 OE2 GLU A 37 8.074 -1.644 -20.730 1.00 49.24 O ATOM 0 H GLU A 37 12.020 -1.864 -17.777 1.00 49.53 H new ATOM 0 HA GLU A 37 10.004 -3.413 -16.488 1.00 50.07 H new ATOM 0 HB2 GLU A 37 11.188 -3.399 -19.284 1.00 49.82 H new ATOM 0 HB3 GLU A 37 9.863 -4.447 -18.817 1.00 49.82 H new ATOM 0 HG2 GLU A 37 8.447 -2.508 -18.318 1.00 49.72 H new ATOM 0 HG3 GLU A 37 9.778 -1.413 -18.632 1.00 49.72 H new ATOM 457 N GLN A 38 12.823 -4.900 -17.306 1.00 49.53 N ATOM 458 CA GLN A 38 13.640 -6.078 -17.039 1.00 50.07 C ATOM 459 C GLN A 38 13.787 -6.319 -15.542 1.00 50.51 C ATOM 460 O GLN A 38 13.635 -7.444 -15.066 1.00 49.49 O ATOM 461 CB GLN A 38 15.024 -5.926 -17.677 1.00 49.82 C ATOM 462 CG GLN A 38 15.926 -7.135 -17.501 1.00 49.82 C ATOM 463 CD GLN A 38 15.391 -8.365 -18.208 1.00 50.55 C ATOM 464 OE1 GLN A 38 14.965 -8.297 -19.365 1.00 49.45 O ATOM 465 NE2 GLN A 38 15.403 -9.498 -17.515 1.00 49.38 N ATOM 0 H GLN A 38 13.295 -4.173 -17.843 1.00 49.53 H new ATOM 0 HA GLN A 38 13.135 -6.938 -17.479 1.00 50.07 H new ATOM 0 HB2 GLN A 38 14.901 -5.730 -18.742 1.00 49.82 H new ATOM 0 HB3 GLN A 38 15.516 -5.054 -17.247 1.00 49.82 H new ATOM 0 HG2 GLN A 38 16.919 -6.902 -17.885 1.00 49.82 H new ATOM 0 HG3 GLN A 38 16.037 -7.350 -16.438 1.00 49.82 H new ATOM 0 HE21 GLN A 38 15.764 -9.509 -16.561 1.00 49.38 H new ATOM 0 HE22 GLN A 38 15.051 -10.357 -17.937 1.00 49.38 H new ATOM 474 N ALA A 39 14.085 -5.255 -14.803 1.00 49.53 N ATOM 475 CA ALA A 39 14.226 -5.343 -13.355 1.00 50.07 C ATOM 476 C ALA A 39 12.904 -5.713 -12.694 1.00 50.51 C ATOM 477 O ALA A 39 12.872 -6.494 -11.744 1.00 49.49 O ATOM 478 CB ALA A 39 14.755 -4.032 -12.793 1.00 49.73 C ATOM 0 H ALA A 39 14.234 -4.321 -15.184 1.00 49.53 H new ATOM 0 HA ALA A 39 14.943 -6.133 -13.134 1.00 50.07 H new ATOM 0 HB1 ALA A 39 14.855 -4.114 -11.711 1.00 49.73 H new ATOM 0 HB2 ALA A 39 15.729 -3.815 -13.232 1.00 49.73 H new ATOM 0 HB3 ALA A 39 14.061 -3.227 -13.033 1.00 49.73 H new ATOM 484 N MET A 40 11.816 -5.147 -13.204 1.00 49.53 N ATOM 485 CA MET A 40 10.482 -5.468 -12.709 1.00 50.07 C ATOM 486 C MET A 40 10.162 -6.944 -12.904 1.00 50.51 C ATOM 487 O MET A 40 9.543 -7.574 -12.046 1.00 49.49 O ATOM 488 CB MET A 40 9.437 -4.602 -13.410 1.00 49.82 C ATOM 489 CG MET A 40 7.999 -4.906 -13.012 1.00 49.86 C ATOM 490 SD MET A 40 7.302 -6.294 -13.929 1.00 49.91 S ATOM 491 CE MET A 40 7.168 -5.583 -15.567 1.00 49.78 C ATOM 0 H MET A 40 11.831 -4.463 -13.961 1.00 49.53 H new ATOM 0 HA MET A 40 10.459 -5.258 -11.640 1.00 50.07 H new ATOM 0 HB2 MET A 40 9.647 -3.554 -13.194 1.00 49.82 H new ATOM 0 HB3 MET A 40 9.538 -4.732 -14.487 1.00 49.82 H new ATOM 0 HG2 MET A 40 7.960 -5.125 -11.945 1.00 49.86 H new ATOM 0 HG3 MET A 40 7.385 -4.021 -13.179 1.00 49.86 H new ATOM 0 HE1 MET A 40 6.387 -6.100 -16.125 1.00 49.78 H new ATOM 0 HE2 MET A 40 6.916 -4.526 -15.485 1.00 49.78 H new ATOM 0 HE3 MET A 40 8.119 -5.690 -16.089 1.00 49.78 H new ATOM 501 N LYS A 41 10.586 -7.491 -14.038 1.00 49.53 N ATOM 502 CA LYS A 41 10.353 -8.897 -14.345 1.00 50.07 C ATOM 503 C LYS A 41 11.204 -9.803 -13.464 1.00 50.51 C ATOM 504 O LYS A 41 10.769 -10.884 -13.065 1.00 49.49 O ATOM 505 CB LYS A 41 10.641 -9.179 -15.821 1.00 49.82 C ATOM 506 CG LYS A 41 9.605 -8.612 -16.783 1.00 49.82 C ATOM 507 CD LYS A 41 9.982 -8.892 -18.230 1.00 49.82 C ATOM 508 CE LYS A 41 8.957 -8.311 -19.193 1.00 50.21 C ATOM 509 NZ LYS A 41 9.306 -8.590 -20.612 1.00 49.70 N ATOM 0 H LYS A 41 11.094 -6.981 -14.761 1.00 49.53 H new ATOM 0 HA LYS A 41 9.304 -9.112 -14.142 1.00 50.07 H new ATOM 0 HB2 LYS A 41 11.618 -8.766 -16.073 1.00 49.82 H new ATOM 0 HB3 LYS A 41 10.703 -10.257 -15.967 1.00 49.82 H new ATOM 0 HG2 LYS A 41 8.629 -9.048 -16.568 1.00 49.82 H new ATOM 0 HG3 LYS A 41 9.514 -7.537 -16.630 1.00 49.82 H new ATOM 0 HD2 LYS A 41 10.963 -8.467 -18.441 1.00 49.82 H new ATOM 0 HD3 LYS A 41 10.061 -9.968 -18.385 1.00 49.82 H new ATOM 0 HE2 LYS A 41 7.975 -8.728 -18.972 1.00 50.21 H new ATOM 0 HE3 LYS A 41 8.887 -7.234 -19.042 1.00 50.21 H new ATOM 0 HZ1 LYS A 41 8.583 -8.177 -21.235 1.00 49.70 H new ATOM 0 HZ2 LYS A 41 10.232 -8.170 -20.831 1.00 49.70 H new ATOM 0 HZ3 LYS A 41 9.348 -9.618 -20.764 1.00 49.70 H new ATOM 523 N MET A 42 12.417 -9.355 -13.162 1.00 49.53 N ATOM 524 CA MET A 42 13.368 -10.164 -12.407 1.00 50.07 C ATOM 525 C MET A 42 12.873 -10.414 -10.988 1.00 50.51 C ATOM 526 O MET A 42 13.308 -11.357 -10.327 1.00 49.49 O ATOM 527 CB MET A 42 14.735 -9.483 -12.378 1.00 49.82 C ATOM 528 CG MET A 42 15.563 -9.679 -13.640 1.00 49.86 C ATOM 529 SD MET A 42 17.161 -8.847 -13.559 1.00 49.91 S ATOM 530 CE MET A 42 18.002 -9.847 -12.336 1.00 49.78 C ATOM 0 H MET A 42 12.766 -8.434 -13.429 1.00 49.53 H new ATOM 0 HA MET A 42 13.462 -11.128 -12.906 1.00 50.07 H new ATOM 0 HB2 MET A 42 14.592 -8.415 -12.215 1.00 49.82 H new ATOM 0 HB3 MET A 42 15.299 -9.863 -11.526 1.00 49.82 H new ATOM 0 HG2 MET A 42 15.721 -10.745 -13.804 1.00 49.86 H new ATOM 0 HG3 MET A 42 15.005 -9.303 -14.498 1.00 49.86 H new ATOM 0 HE1 MET A 42 19.041 -9.989 -12.634 1.00 49.78 H new ATOM 0 HE2 MET A 42 17.967 -9.345 -11.369 1.00 49.78 H new ATOM 0 HE3 MET A 42 17.511 -10.817 -12.259 1.00 49.78 H new ATOM 540 N ILE A 43 11.961 -9.565 -10.527 1.00 49.53 N ATOM 541 CA ILE A 43 11.491 -9.621 -9.148 1.00 50.07 C ATOM 542 C ILE A 43 10.111 -10.261 -9.062 1.00 50.51 C ATOM 543 O ILE A 43 9.542 -10.391 -7.978 1.00 49.49 O ATOM 544 CB ILE A 43 11.437 -8.220 -8.512 1.00 49.91 C ATOM 545 CG1 ILE A 43 10.431 -7.336 -9.253 1.00 49.82 C ATOM 546 CG2 ILE A 43 12.816 -7.580 -8.517 1.00 49.73 C ATOM 547 CD1 ILE A 43 10.106 -6.046 -8.535 1.00 49.73 C ATOM 0 H ILE A 43 11.532 -8.829 -11.089 1.00 49.53 H new ATOM 0 HA ILE A 43 12.206 -10.232 -8.597 1.00 50.07 H new ATOM 0 HB ILE A 43 11.110 -8.322 -7.477 1.00 49.91 H new ATOM 0 HG12 ILE A 43 10.827 -7.101 -10.241 1.00 49.82 H new ATOM 0 HG13 ILE A 43 9.510 -7.899 -9.404 1.00 49.82 H new ATOM 0 HG21 ILE A 43 12.759 -6.590 -8.064 1.00 49.73 H new ATOM 0 HG22 ILE A 43 13.507 -8.201 -7.947 1.00 49.73 H new ATOM 0 HG23 ILE A 43 13.171 -7.489 -9.543 1.00 49.73 H new ATOM 0 HD11 ILE A 43 9.387 -5.474 -9.122 1.00 49.73 H new ATOM 0 HD12 ILE A 43 9.679 -6.271 -7.558 1.00 49.73 H new ATOM 0 HD13 ILE A 43 11.017 -5.461 -8.407 1.00 49.73 H new ATOM 559 N ILE A 44 9.578 -10.661 -10.211 1.00 49.53 N ATOM 560 CA ILE A 44 8.274 -11.312 -10.266 1.00 50.07 C ATOM 561 C ILE A 44 8.280 -12.621 -9.486 1.00 50.51 C ATOM 562 O ILE A 44 7.260 -13.024 -8.926 1.00 49.49 O ATOM 563 CB ILE A 44 7.841 -11.591 -11.717 1.00 49.91 C ATOM 564 CG1 ILE A 44 7.477 -10.284 -12.426 1.00 49.82 C ATOM 565 CG2 ILE A 44 6.670 -12.561 -11.745 1.00 49.73 C ATOM 566 CD1 ILE A 44 7.172 -10.452 -13.897 1.00 49.73 C ATOM 0 H ILE A 44 10.029 -10.546 -11.118 1.00 49.53 H new ATOM 0 HA ILE A 44 7.560 -10.625 -9.812 1.00 50.07 H new ATOM 0 HB ILE A 44 8.677 -12.048 -12.247 1.00 49.91 H new ATOM 0 HG12 ILE A 44 6.611 -9.843 -11.933 1.00 49.82 H new ATOM 0 HG13 ILE A 44 8.301 -9.579 -12.314 1.00 49.82 H new ATOM 0 HG21 ILE A 44 6.377 -12.747 -12.778 1.00 49.73 H new ATOM 0 HG22 ILE A 44 6.964 -13.500 -11.276 1.00 49.73 H new ATOM 0 HG23 ILE A 44 5.829 -12.132 -11.201 1.00 49.73 H new ATOM 0 HD11 ILE A 44 6.923 -9.483 -14.330 1.00 49.73 H new ATOM 0 HD12 ILE A 44 8.045 -10.863 -14.405 1.00 49.73 H new ATOM 0 HD13 ILE A 44 6.328 -11.131 -14.018 1.00 49.73 H new ATOM 578 N ASN A 45 9.432 -13.282 -9.456 1.00 49.53 N ATOM 579 CA ASN A 45 9.576 -14.540 -8.734 1.00 50.07 C ATOM 580 C ASN A 45 9.386 -14.340 -7.235 1.00 50.51 C ATOM 581 O ASN A 45 9.014 -15.268 -6.517 1.00 49.49 O ATOM 582 CB ASN A 45 10.920 -15.188 -9.010 1.00 49.82 C ATOM 583 CG ASN A 45 11.031 -15.786 -10.386 1.00 50.55 C ATOM 584 OD1 ASN A 45 10.024 -16.083 -11.039 1.00 49.45 O ATOM 585 ND2 ASN A 45 12.248 -16.040 -10.794 1.00 49.38 N ATOM 0 H ASN A 45 10.281 -12.966 -9.925 1.00 49.53 H new ATOM 0 HA ASN A 45 8.795 -15.209 -9.095 1.00 50.07 H new ATOM 0 HB2 ASN A 45 11.706 -14.443 -8.883 1.00 49.82 H new ATOM 0 HB3 ASN A 45 11.097 -15.968 -8.269 1.00 49.82 H new ATOM 0 HD21 ASN A 45 12.399 -16.504 -11.690 1.00 49.38 H new ATOM 0 HD22 ASN A 45 13.045 -15.774 -10.216 1.00 49.38 H new ATOM 592 N ASP A 46 9.645 -13.123 -6.768 1.00 49.53 N ATOM 593 CA ASP A 46 9.470 -12.790 -5.360 1.00 50.07 C ATOM 594 C ASP A 46 8.010 -12.497 -5.040 1.00 50.51 C ATOM 595 O ASP A 46 7.381 -11.654 -5.680 1.00 49.49 O ATOM 596 CB ASP A 46 10.342 -11.590 -4.981 1.00 49.72 C ATOM 597 CG ASP A 46 10.558 -11.417 -3.483 1.00 50.62 C ATOM 598 OD1 ASP A 46 9.587 -11.314 -2.771 1.00 49.24 O ATOM 599 OD2 ASP A 46 11.676 -11.549 -3.046 1.00 49.24 O ATOM 0 H ASP A 46 9.977 -12.351 -7.345 1.00 49.53 H new ATOM 0 HA ASP A 46 9.781 -13.654 -4.772 1.00 50.07 H new ATOM 0 HB2 ASP A 46 11.313 -11.694 -5.466 1.00 49.72 H new ATOM 0 HB3 ASP A 46 9.883 -10.684 -5.377 1.00 49.72 H new ATOM 604 N PRO A 47 7.476 -13.198 -4.046 1.00 49.71 N ATOM 605 CA PRO A 47 6.077 -13.040 -3.662 1.00 50.02 C ATOM 606 C PRO A 47 5.754 -11.585 -3.349 1.00 50.51 C ATOM 607 O PRO A 47 4.607 -11.154 -3.471 1.00 49.49 O ATOM 608 CB PRO A 47 5.922 -13.946 -2.428 1.00 49.82 C ATOM 609 CG PRO A 47 6.978 -15.004 -2.588 1.00 49.82 C ATOM 610 CD PRO A 47 8.215 -14.056 -3.111 1.00 50.00 C ATOM 0 HA PRO A 47 5.386 -13.316 -4.458 1.00 50.02 H new ATOM 0 HB2 PRO A 47 6.063 -13.384 -1.505 1.00 49.82 H new ATOM 0 HB3 PRO A 47 4.926 -14.386 -2.384 1.00 49.82 H new ATOM 0 HG2 PRO A 47 7.206 -15.516 -1.653 1.00 49.82 H new ATOM 0 HG3 PRO A 47 6.700 -15.770 -3.311 1.00 49.82 H new ATOM 0 HD2 PRO A 47 8.682 -13.492 -2.304 1.00 50.00 H new ATOM 0 HD3 PRO A 47 9.004 -14.627 -3.600 1.00 50.00 H new ATOM 618 N ARG A 48 6.770 -10.832 -2.946 1.00 49.53 N ATOM 619 CA ARG A 48 6.595 -9.424 -2.609 1.00 50.07 C ATOM 620 C ARG A 48 6.097 -8.628 -3.810 1.00 50.51 C ATOM 621 O ARG A 48 5.407 -7.621 -3.656 1.00 49.49 O ATOM 622 CB ARG A 48 7.857 -8.812 -2.021 1.00 49.82 C ATOM 623 CG ARG A 48 8.198 -9.277 -0.614 1.00 49.82 C ATOM 624 CD ARG A 48 9.461 -8.714 -0.073 1.00 50.20 C ATOM 625 NE ARG A 48 9.786 -9.150 1.275 1.00 49.30 N ATOM 626 CZ ARG A 48 10.938 -8.867 1.915 1.00 50.64 C ATOM 627 NH1 ARG A 48 11.892 -8.185 1.321 1.00 49.20 N ATOM 628 NH2 ARG A 48 11.094 -9.317 3.148 1.00 49.20 N ATOM 0 H ARG A 48 7.726 -11.173 -2.844 1.00 49.53 H new ATOM 0 HA ARG A 48 5.831 -9.374 -1.833 1.00 50.07 H new ATOM 0 HB2 ARG A 48 8.696 -9.043 -2.678 1.00 49.82 H new ATOM 0 HB3 ARG A 48 7.748 -7.727 -2.013 1.00 49.82 H new ATOM 0 HG2 ARG A 48 7.379 -9.008 0.053 1.00 49.82 H new ATOM 0 HG3 ARG A 48 8.268 -10.365 -0.611 1.00 49.82 H new ATOM 0 HD2 ARG A 48 10.280 -8.988 -0.738 1.00 50.20 H new ATOM 0 HD3 ARG A 48 9.393 -7.626 -0.083 1.00 50.20 H new ATOM 0 HE ARG A 48 9.093 -9.710 1.772 1.00 49.30 H new ATOM 0 HH11 ARG A 48 11.766 -7.862 0.362 1.00 49.20 H new ATOM 0 HH12 ARG A 48 12.758 -7.979 1.819 1.00 49.20 H new ATOM 0 HH21 ARG A 48 10.354 -9.862 3.589 1.00 49.20 H new ATOM 0 HH22 ARG A 48 11.955 -9.119 3.658 1.00 49.20 H new ATOM 642 N TYR A 49 6.450 -9.088 -5.005 1.00 49.53 N ATOM 643 CA TYR A 49 5.977 -8.465 -6.236 1.00 50.07 C ATOM 644 C TYR A 49 4.459 -8.348 -6.245 1.00 50.51 C ATOM 645 O TYR A 49 3.908 -7.334 -6.673 1.00 49.49 O ATOM 646 CB TYR A 49 6.450 -9.261 -7.455 1.00 49.82 C ATOM 647 CG TYR A 49 5.903 -8.751 -8.770 1.00 50.00 C ATOM 648 CD1 TYR A 49 6.477 -7.660 -9.405 1.00 49.88 C ATOM 649 CD2 TYR A 49 4.815 -9.364 -9.372 1.00 49.88 C ATOM 650 CE1 TYR A 49 5.982 -7.190 -10.606 1.00 49.88 C ATOM 651 CE2 TYR A 49 4.311 -8.904 -10.573 1.00 49.88 C ATOM 652 CZ TYR A 49 4.898 -7.816 -11.187 1.00 50.11 C ATOM 653 OH TYR A 49 4.400 -7.353 -12.384 1.00 49.46 O ATOM 0 H TYR A 49 7.063 -9.891 -5.148 1.00 49.53 H new ATOM 0 HA TYR A 49 6.397 -7.460 -6.284 1.00 50.07 H new ATOM 0 HB2 TYR A 49 7.539 -9.237 -7.492 1.00 49.82 H new ATOM 0 HB3 TYR A 49 6.158 -10.304 -7.331 1.00 49.82 H new ATOM 0 HD1 TYR A 49 7.326 -7.169 -8.953 1.00 49.88 H new ATOM 0 HD2 TYR A 49 4.354 -10.216 -8.894 1.00 49.88 H new ATOM 0 HE1 TYR A 49 6.440 -6.338 -11.087 1.00 49.88 H new ATOM 0 HE2 TYR A 49 3.463 -9.393 -11.029 1.00 49.88 H new ATOM 0 HH TYR A 49 4.564 -6.389 -12.456 1.00 49.46 H new ATOM 663 N SER A 50 3.786 -9.392 -5.772 1.00 49.53 N ATOM 664 CA SER A 50 2.331 -9.392 -5.688 1.00 50.07 C ATOM 665 C SER A 50 1.839 -8.394 -4.647 1.00 50.51 C ATOM 666 O SER A 50 0.850 -7.694 -4.864 1.00 49.49 O ATOM 667 CB SER A 50 1.827 -10.785 -5.364 1.00 50.05 C ATOM 668 OG SER A 50 2.078 -11.691 -6.403 1.00 49.34 O ATOM 0 H SER A 50 4.227 -10.250 -5.441 1.00 49.53 H new ATOM 0 HA SER A 50 1.935 -9.088 -6.657 1.00 50.07 H new ATOM 0 HB2 SER A 50 2.305 -11.140 -4.451 1.00 50.05 H new ATOM 0 HB3 SER A 50 0.755 -10.746 -5.168 1.00 50.05 H new ATOM 0 HG SER A 50 1.740 -12.576 -6.154 1.00 49.34 H new ATOM 674 N ALA A 51 2.535 -8.334 -3.517 1.00 49.53 N ATOM 675 CA ALA A 51 2.219 -7.367 -2.473 1.00 50.07 C ATOM 676 C ALA A 51 2.321 -5.940 -2.997 1.00 50.51 C ATOM 677 O ALA A 51 1.597 -5.050 -2.547 1.00 49.49 O ATOM 678 CB ALA A 51 3.138 -7.561 -1.275 1.00 49.73 C ATOM 0 H ALA A 51 3.323 -8.945 -3.301 1.00 49.53 H new ATOM 0 HA ALA A 51 1.190 -7.536 -2.156 1.00 50.07 H new ATOM 0 HB1 ALA A 51 2.890 -6.832 -0.504 1.00 49.73 H new ATOM 0 HB2 ALA A 51 3.010 -8.568 -0.877 1.00 49.73 H new ATOM 0 HB3 ALA A 51 4.174 -7.423 -1.585 1.00 49.73 H new ATOM 684 N LEU A 52 3.222 -5.727 -3.949 1.00 49.53 N ATOM 685 CA LEU A 52 3.343 -4.435 -4.614 1.00 50.07 C ATOM 686 C LEU A 52 2.237 -4.239 -5.643 1.00 50.51 C ATOM 687 O LEU A 52 1.726 -3.132 -5.816 1.00 49.49 O ATOM 688 CB LEU A 52 4.719 -4.308 -5.280 1.00 49.82 C ATOM 689 CG LEU A 52 5.814 -3.689 -4.402 1.00 49.91 C ATOM 690 CD1 LEU A 52 5.845 -4.374 -3.042 1.00 49.73 C ATOM 691 CD2 LEU A 52 7.160 -3.817 -5.101 1.00 49.73 C ATOM 0 H LEU A 52 3.880 -6.433 -4.278 1.00 49.53 H new ATOM 0 HA LEU A 52 3.241 -3.656 -3.859 1.00 50.07 H new ATOM 0 HB2 LEU A 52 5.045 -5.299 -5.595 1.00 49.82 H new ATOM 0 HB3 LEU A 52 4.614 -3.705 -6.182 1.00 49.82 H new ATOM 0 HG LEU A 52 5.599 -2.632 -4.246 1.00 49.91 H new ATOM 0 HD11 LEU A 52 6.626 -3.927 -2.427 1.00 49.73 H new ATOM 0 HD12 LEU A 52 4.880 -4.250 -2.550 1.00 49.73 H new ATOM 0 HD13 LEU A 52 6.051 -5.436 -3.174 1.00 49.73 H new ATOM 0 HD21 LEU A 52 7.938 -3.377 -4.477 1.00 49.73 H new ATOM 0 HD22 LEU A 52 7.383 -4.870 -5.270 1.00 49.73 H new ATOM 0 HD23 LEU A 52 7.124 -3.295 -6.057 1.00 49.73 H new ATOM 703 N ALA A 53 1.871 -5.320 -6.324 1.00 49.53 N ATOM 704 CA ALA A 53 0.805 -5.274 -7.318 1.00 50.07 C ATOM 705 C ALA A 53 -0.530 -4.921 -6.679 1.00 50.51 C ATOM 706 O ALA A 53 -1.448 -4.452 -7.352 1.00 49.49 O ATOM 707 CB ALA A 53 0.711 -6.602 -8.055 1.00 49.73 C ATOM 0 H ALA A 53 2.297 -6.239 -6.206 1.00 49.53 H new ATOM 0 HA ALA A 53 1.047 -4.491 -8.037 1.00 50.07 H new ATOM 0 HB1 ALA A 53 -0.089 -6.552 -8.794 1.00 49.73 H new ATOM 0 HB2 ALA A 53 1.656 -6.807 -8.557 1.00 49.73 H new ATOM 0 HB3 ALA A 53 0.498 -7.399 -7.343 1.00 49.73 H new ATOM 713 N LYS A 54 -0.635 -5.150 -5.373 1.00 49.53 N ATOM 714 CA LYS A 54 -1.840 -4.806 -4.629 1.00 50.07 C ATOM 715 C LYS A 54 -2.205 -3.340 -4.819 1.00 50.51 C ATOM 716 O LYS A 54 -3.378 -2.970 -4.770 1.00 49.49 O ATOM 717 CB LYS A 54 -1.658 -5.114 -3.142 1.00 49.82 C ATOM 718 CG LYS A 54 -1.621 -6.599 -2.807 1.00 49.82 C ATOM 719 CD LYS A 54 -1.441 -6.825 -1.313 1.00 49.82 C ATOM 720 CE LYS A 54 -1.356 -8.308 -0.984 1.00 50.21 C ATOM 721 NZ LYS A 54 -1.190 -8.545 0.476 1.00 49.70 N ATOM 0 H LYS A 54 0.102 -5.573 -4.809 1.00 49.53 H new ATOM 0 HA LYS A 54 -2.657 -5.414 -5.019 1.00 50.07 H new ATOM 0 HB2 LYS A 54 -0.732 -4.653 -2.799 1.00 49.82 H new ATOM 0 HB3 LYS A 54 -2.471 -4.648 -2.585 1.00 49.82 H new ATOM 0 HG2 LYS A 54 -2.545 -7.072 -3.140 1.00 49.82 H new ATOM 0 HG3 LYS A 54 -0.805 -7.076 -3.350 1.00 49.82 H new ATOM 0 HD2 LYS A 54 -0.535 -6.323 -0.974 1.00 49.82 H new ATOM 0 HD3 LYS A 54 -2.275 -6.378 -0.772 1.00 49.82 H new ATOM 0 HE2 LYS A 54 -2.259 -8.809 -1.333 1.00 50.21 H new ATOM 0 HE3 LYS A 54 -0.518 -8.751 -1.521 1.00 50.21 H new ATOM 0 HZ1 LYS A 54 -1.136 -9.568 0.658 1.00 49.70 H new ATOM 0 HZ2 LYS A 54 -0.315 -8.088 0.805 1.00 49.70 H new ATOM 0 HZ3 LYS A 54 -2.002 -8.145 0.987 1.00 49.70 H new ATOM 735 N LEU A 55 -1.193 -2.506 -5.036 1.00 49.53 N ATOM 736 CA LEU A 55 -1.409 -1.086 -5.285 1.00 50.07 C ATOM 737 C LEU A 55 -1.928 -0.846 -6.697 1.00 50.51 C ATOM 738 O LEU A 55 -1.232 -1.111 -7.678 1.00 49.49 O ATOM 739 CB LEU A 55 -0.111 -0.304 -5.053 1.00 49.82 C ATOM 740 CG LEU A 55 -0.210 1.209 -5.286 1.00 49.91 C ATOM 741 CD1 LEU A 55 -1.170 1.830 -4.279 1.00 49.73 C ATOM 742 CD2 LEU A 55 1.173 1.834 -5.168 1.00 49.73 C ATOM 0 H LEU A 55 -0.213 -2.790 -5.044 1.00 49.53 H new ATOM 0 HA LEU A 55 -2.166 -0.731 -4.585 1.00 50.07 H new ATOM 0 HB2 LEU A 55 0.221 -0.477 -4.029 1.00 49.82 H new ATOM 0 HB3 LEU A 55 0.660 -0.707 -5.710 1.00 49.82 H new ATOM 0 HG LEU A 55 -0.596 1.398 -6.288 1.00 49.91 H new ATOM 0 HD11 LEU A 55 -1.234 2.904 -4.452 1.00 49.73 H new ATOM 0 HD12 LEU A 55 -2.158 1.384 -4.395 1.00 49.73 H new ATOM 0 HD13 LEU A 55 -0.806 1.646 -3.268 1.00 49.73 H new ATOM 0 HD21 LEU A 55 1.102 2.909 -5.334 1.00 49.73 H new ATOM 0 HD22 LEU A 55 1.573 1.646 -4.172 1.00 49.73 H new ATOM 0 HD23 LEU A 55 1.836 1.395 -5.914 1.00 49.73 H new ATOM 754 N SER A 56 -3.154 -0.345 -6.794 1.00 49.53 N ATOM 755 CA SER A 56 -3.790 -0.122 -8.088 1.00 50.07 C ATOM 756 C SER A 56 -3.068 0.964 -8.876 1.00 50.51 C ATOM 757 O SER A 56 -3.247 1.088 -10.087 1.00 49.49 O ATOM 758 CB SER A 56 -5.249 0.246 -7.895 1.00 50.05 C ATOM 759 OG SER A 56 -5.400 1.487 -7.260 1.00 49.34 O ATOM 0 H SER A 56 -3.728 -0.085 -5.992 1.00 49.53 H new ATOM 0 HA SER A 56 -3.730 -1.047 -8.661 1.00 50.07 H new ATOM 0 HB2 SER A 56 -5.747 0.272 -8.864 1.00 50.05 H new ATOM 0 HB3 SER A 56 -5.742 -0.526 -7.304 1.00 50.05 H new ATOM 0 HG SER A 56 -6.354 1.688 -7.156 1.00 49.34 H new ATOM 765 N GLU A 57 -2.252 1.750 -8.180 1.00 49.53 N ATOM 766 CA GLU A 57 -1.496 2.821 -8.815 1.00 50.07 C ATOM 767 C GLU A 57 -0.028 2.445 -8.968 1.00 50.51 C ATOM 768 O GLU A 57 0.820 3.303 -9.215 1.00 49.49 O ATOM 769 CB GLU A 57 -1.625 4.117 -8.012 1.00 49.82 C ATOM 770 CG GLU A 57 -3.042 4.668 -7.931 1.00 49.72 C ATOM 771 CD GLU A 57 -3.089 5.939 -7.131 1.00 50.62 C ATOM 772 OE1 GLU A 57 -2.052 6.397 -6.716 1.00 49.24 O ATOM 773 OE2 GLU A 57 -4.147 6.516 -7.029 1.00 49.24 O ATOM 0 H GLU A 57 -2.098 1.664 -7.175 1.00 49.53 H new ATOM 0 HA GLU A 57 -1.913 2.977 -9.810 1.00 50.07 H new ATOM 0 HB2 GLU A 57 -1.258 3.942 -7.001 1.00 49.82 H new ATOM 0 HB3 GLU A 57 -0.979 4.873 -8.459 1.00 49.82 H new ATOM 0 HG2 GLU A 57 -3.420 4.854 -8.936 1.00 49.72 H new ATOM 0 HG3 GLU A 57 -3.698 3.925 -7.477 1.00 49.72 H new ATOM 780 N LYS A 58 0.265 1.158 -8.819 1.00 49.53 N ATOM 781 CA LYS A 58 1.635 0.668 -8.922 1.00 50.07 C ATOM 782 C LYS A 58 2.186 0.864 -10.327 1.00 50.51 C ATOM 783 O LYS A 58 3.400 0.866 -10.534 1.00 49.49 O ATOM 784 CB LYS A 58 1.706 -0.809 -8.531 1.00 49.82 C ATOM 785 CG LYS A 58 1.052 -1.756 -9.528 1.00 49.82 C ATOM 786 CD LYS A 58 2.040 -2.203 -10.595 1.00 49.82 C ATOM 787 CE LYS A 58 1.376 -3.111 -11.619 1.00 50.21 C ATOM 788 NZ LYS A 58 1.032 -4.441 -11.045 1.00 49.70 N ATOM 0 H LYS A 58 -0.428 0.435 -8.626 1.00 49.53 H new ATOM 0 HA LYS A 58 2.249 1.247 -8.232 1.00 50.07 H new ATOM 0 HB2 LYS A 58 2.752 -1.091 -8.413 1.00 49.82 H new ATOM 0 HB3 LYS A 58 1.229 -0.938 -7.559 1.00 49.82 H new ATOM 0 HG2 LYS A 58 0.662 -2.628 -9.003 1.00 49.82 H new ATOM 0 HG3 LYS A 58 0.203 -1.261 -10.000 1.00 49.82 H new ATOM 0 HD2 LYS A 58 2.456 -1.329 -11.097 1.00 49.82 H new ATOM 0 HD3 LYS A 58 2.872 -2.728 -10.126 1.00 49.82 H new ATOM 0 HE2 LYS A 58 0.471 -2.633 -11.995 1.00 50.21 H new ATOM 0 HE3 LYS A 58 2.043 -3.245 -12.471 1.00 50.21 H new ATOM 0 HZ1 LYS A 58 0.644 -5.052 -11.792 1.00 49.70 H new ATOM 0 HZ2 LYS A 58 1.888 -4.880 -10.649 1.00 49.70 H new ATOM 0 HZ3 LYS A 58 0.324 -4.322 -10.293 1.00 49.70 H new ATOM 802 N LYS A 59 1.288 1.029 -11.293 1.00 49.53 N ATOM 803 CA LYS A 59 1.683 1.314 -12.666 1.00 50.07 C ATOM 804 C LYS A 59 2.197 2.741 -12.807 1.00 50.51 C ATOM 805 O LYS A 59 2.991 3.041 -13.699 1.00 49.49 O ATOM 806 CB LYS A 59 0.510 1.081 -13.620 1.00 49.82 C ATOM 807 CG LYS A 59 0.133 -0.383 -13.808 1.00 49.82 C ATOM 808 CD LYS A 59 -1.005 -0.539 -14.805 1.00 49.82 C ATOM 809 CE LYS A 59 -1.347 -2.003 -15.031 1.00 50.21 C ATOM 810 NZ LYS A 59 -2.468 -2.170 -15.997 1.00 49.70 N ATOM 0 H LYS A 59 0.280 0.970 -11.149 1.00 49.53 H new ATOM 0 HA LYS A 59 2.493 0.633 -12.928 1.00 50.07 H new ATOM 0 HB2 LYS A 59 -0.359 1.622 -13.247 1.00 49.82 H new ATOM 0 HB3 LYS A 59 0.758 1.507 -14.592 1.00 49.82 H new ATOM 0 HG2 LYS A 59 1.002 -0.942 -14.155 1.00 49.82 H new ATOM 0 HG3 LYS A 59 -0.160 -0.811 -12.849 1.00 49.82 H new ATOM 0 HD2 LYS A 59 -1.886 -0.010 -14.440 1.00 49.82 H new ATOM 0 HD3 LYS A 59 -0.726 -0.078 -15.753 1.00 49.82 H new ATOM 0 HE2 LYS A 59 -0.467 -2.528 -15.402 1.00 50.21 H new ATOM 0 HE3 LYS A 59 -1.616 -2.464 -14.080 1.00 50.21 H new ATOM 0 HZ1 LYS A 59 -2.670 -3.182 -16.123 1.00 49.70 H new ATOM 0 HZ2 LYS A 59 -3.316 -1.691 -15.631 1.00 49.70 H new ATOM 0 HZ3 LYS A 59 -2.203 -1.753 -16.912 1.00 49.70 H new ATOM 824 N GLN A 60 1.739 3.620 -11.922 1.00 49.53 N ATOM 825 CA GLN A 60 2.227 4.993 -11.882 1.00 50.07 C ATOM 826 C GLN A 60 3.502 5.100 -11.054 1.00 50.51 C ATOM 827 O GLN A 60 4.422 5.838 -11.407 1.00 49.49 O ATOM 828 CB GLN A 60 1.158 5.926 -11.306 1.00 49.82 C ATOM 829 CG GLN A 60 -0.077 6.070 -12.179 1.00 49.82 C ATOM 830 CD GLN A 60 -1.140 6.942 -11.537 1.00 50.55 C ATOM 831 OE1 GLN A 60 -0.988 7.396 -10.400 1.00 49.45 O ATOM 832 NE2 GLN A 60 -2.227 7.178 -12.263 1.00 49.38 N ATOM 0 H GLN A 60 1.029 3.405 -11.222 1.00 49.53 H new ATOM 0 HA GLN A 60 2.452 5.294 -12.905 1.00 50.07 H new ATOM 0 HB2 GLN A 60 0.856 5.554 -10.327 1.00 49.82 H new ATOM 0 HB3 GLN A 60 1.597 6.912 -11.151 1.00 49.82 H new ATOM 0 HG2 GLN A 60 0.208 6.498 -13.140 1.00 49.82 H new ATOM 0 HG3 GLN A 60 -0.493 5.083 -12.381 1.00 49.82 H new ATOM 0 HE21 GLN A 60 -2.311 6.782 -13.199 1.00 49.38 H new ATOM 0 HE22 GLN A 60 -2.978 7.755 -11.884 1.00 49.38 H new ATOM 841 N ALA A 61 3.550 4.358 -9.953 1.00 49.53 N ATOM 842 CA ALA A 61 4.725 4.344 -9.090 1.00 50.07 C ATOM 843 C ALA A 61 5.940 3.788 -9.820 1.00 50.51 C ATOM 844 O ALA A 61 7.031 4.353 -9.750 1.00 49.49 O ATOM 845 CB ALA A 61 4.446 3.539 -7.828 1.00 49.73 C ATOM 0 H ALA A 61 2.788 3.758 -9.637 1.00 49.53 H new ATOM 0 HA ALA A 61 4.947 5.373 -8.808 1.00 50.07 H new ATOM 0 HB1 ALA A 61 5.333 3.538 -7.194 1.00 49.73 H new ATOM 0 HB2 ALA A 61 3.613 3.988 -7.287 1.00 49.73 H new ATOM 0 HB3 ALA A 61 4.192 2.514 -8.099 1.00 49.73 H new ATOM 851 N PHE A 62 5.743 2.677 -10.523 1.00 49.53 N ATOM 852 CA PHE A 62 6.838 2.004 -11.212 1.00 50.07 C ATOM 853 C PHE A 62 7.097 2.630 -12.576 1.00 50.51 C ATOM 854 O PHE A 62 6.164 2.901 -13.333 1.00 49.49 O ATOM 855 CB PHE A 62 6.534 0.513 -11.368 1.00 49.82 C ATOM 856 CG PHE A 62 6.261 -0.188 -10.067 1.00 50.00 C ATOM 857 CD1 PHE A 62 6.504 0.444 -8.857 1.00 49.88 C ATOM 858 CD2 PHE A 62 5.762 -1.482 -10.050 1.00 49.88 C ATOM 859 CE1 PHE A 62 6.254 -0.200 -7.660 1.00 49.88 C ATOM 860 CE2 PHE A 62 5.510 -2.128 -8.856 1.00 49.88 C ATOM 861 CZ PHE A 62 5.757 -1.485 -7.660 1.00 49.88 C ATOM 0 H PHE A 62 4.835 2.224 -10.630 1.00 49.53 H new ATOM 0 HA PHE A 62 7.737 2.122 -10.607 1.00 50.07 H new ATOM 0 HB2 PHE A 62 5.671 0.394 -12.023 1.00 49.82 H new ATOM 0 HB3 PHE A 62 7.377 0.029 -11.861 1.00 49.82 H new ATOM 0 HD1 PHE A 62 6.893 1.451 -8.850 1.00 49.88 H new ATOM 0 HD2 PHE A 62 5.568 -1.991 -10.983 1.00 49.88 H new ATOM 0 HE1 PHE A 62 6.448 0.304 -6.725 1.00 49.88 H new ATOM 0 HE2 PHE A 62 5.120 -3.135 -8.858 1.00 49.88 H new ATOM 0 HZ PHE A 62 5.561 -1.989 -6.725 1.00 49.88 H new ATOM 871 N ASN A 63 8.368 2.857 -12.885 1.00 49.53 N ATOM 872 CA ASN A 63 8.758 3.392 -14.185 1.00 50.07 C ATOM 873 C ASN A 63 8.644 2.333 -15.273 1.00 50.51 C ATOM 874 O ASN A 63 8.603 2.651 -16.462 1.00 49.49 O ATOM 875 CB ASN A 63 10.164 3.961 -14.152 1.00 49.82 C ATOM 876 CG ASN A 63 10.286 5.228 -13.350 1.00 50.55 C ATOM 877 OD1 ASN A 63 9.290 5.899 -13.056 1.00 49.45 O ATOM 878 ND2 ASN A 63 11.508 5.600 -13.066 1.00 49.38 N ATOM 0 H ASN A 63 9.148 2.679 -12.252 1.00 49.53 H new ATOM 0 HA ASN A 63 8.068 4.203 -14.419 1.00 50.07 H new ATOM 0 HB2 ASN A 63 10.839 3.213 -13.737 1.00 49.82 H new ATOM 0 HB3 ASN A 63 10.492 4.155 -15.173 1.00 49.82 H new ATOM 0 HD21 ASN A 63 11.673 6.481 -12.579 1.00 49.38 H new ATOM 0 HD22 ASN A 63 12.296 5.009 -13.331 1.00 49.38 H new ATOM 885 N ALA A 64 8.594 1.071 -14.861 1.00 49.53 N ATOM 886 CA ALA A 64 8.443 -0.036 -15.798 1.00 50.07 C ATOM 887 C ALA A 64 7.119 0.051 -16.547 1.00 50.51 C ATOM 888 O ALA A 64 6.999 -0.430 -17.673 1.00 49.49 O ATOM 889 CB ALA A 64 8.557 -1.367 -15.068 1.00 49.73 C ATOM 0 H ALA A 64 8.656 0.789 -13.883 1.00 49.53 H new ATOM 0 HA ALA A 64 9.246 0.032 -16.532 1.00 50.07 H new ATOM 0 HB1 ALA A 64 8.442 -2.184 -15.781 1.00 49.73 H new ATOM 0 HB2 ALA A 64 9.534 -1.437 -14.590 1.00 49.73 H new ATOM 0 HB3 ALA A 64 7.777 -1.434 -14.310 1.00 49.73 H new ATOM 895 N TYR A 65 6.127 0.668 -15.912 1.00 49.53 N ATOM 896 CA TYR A 65 4.796 0.778 -16.498 1.00 50.07 C ATOM 897 C TYR A 65 4.510 2.204 -16.949 1.00 50.51 C ATOM 898 O TYR A 65 3.356 2.578 -17.167 1.00 49.49 O ATOM 899 CB TYR A 65 3.732 0.320 -15.498 1.00 49.82 C ATOM 900 CG TYR A 65 3.824 -1.146 -15.133 1.00 50.00 C ATOM 901 CD1 TYR A 65 3.243 -2.116 -15.936 1.00 49.88 C ATOM 902 CD2 TYR A 65 4.490 -1.554 -13.987 1.00 49.88 C ATOM 903 CE1 TYR A 65 3.324 -3.455 -15.609 1.00 49.88 C ATOM 904 CE2 TYR A 65 4.578 -2.891 -13.650 1.00 49.88 C ATOM 905 CZ TYR A 65 3.992 -3.839 -14.464 1.00 50.11 C ATOM 906 OH TYR A 65 4.075 -5.172 -14.133 1.00 49.46 O ATOM 0 H TYR A 65 6.220 1.099 -14.992 1.00 49.53 H new ATOM 0 HA TYR A 65 4.762 0.130 -17.374 1.00 50.07 H new ATOM 0 HB2 TYR A 65 3.820 0.917 -14.590 1.00 49.82 H new ATOM 0 HB3 TYR A 65 2.745 0.519 -15.916 1.00 49.82 H new ATOM 0 HD1 TYR A 65 2.718 -1.819 -16.832 1.00 49.88 H new ATOM 0 HD2 TYR A 65 4.948 -0.814 -13.347 1.00 49.88 H new ATOM 0 HE1 TYR A 65 2.867 -4.198 -16.246 1.00 49.88 H new ATOM 0 HE2 TYR A 65 5.102 -3.192 -12.755 1.00 49.88 H new ATOM 0 HH TYR A 65 5.017 -5.440 -14.089 1.00 49.46 H new ATOM 916 N LYS A 66 5.565 3.000 -17.087 1.00 49.53 N ATOM 917 CA LYS A 66 5.431 4.379 -17.539 1.00 50.07 C ATOM 918 C LYS A 66 5.618 4.487 -19.046 1.00 50.51 C ATOM 919 O LYS A 66 5.541 5.575 -19.615 1.00 49.49 O ATOM 920 CB LYS A 66 6.437 5.278 -16.818 1.00 49.82 C ATOM 921 CG LYS A 66 5.956 5.811 -15.474 1.00 49.82 C ATOM 922 CD LYS A 66 6.807 6.981 -15.005 1.00 49.82 C ATOM 923 CE LYS A 66 6.376 7.463 -13.629 1.00 50.21 C ATOM 924 NZ LYS A 66 7.462 8.208 -12.935 1.00 49.70 N ATOM 0 H LYS A 66 6.524 2.713 -16.892 1.00 49.53 H new ATOM 0 HA LYS A 66 4.421 4.712 -17.298 1.00 50.07 H new ATOM 0 HB2 LYS A 66 7.360 4.719 -16.664 1.00 49.82 H new ATOM 0 HB3 LYS A 66 6.680 6.122 -17.464 1.00 49.82 H new ATOM 0 HG2 LYS A 66 4.916 6.126 -15.557 1.00 49.82 H new ATOM 0 HG3 LYS A 66 5.990 5.014 -14.731 1.00 49.82 H new ATOM 0 HD2 LYS A 66 7.855 6.682 -14.976 1.00 49.82 H new ATOM 0 HD3 LYS A 66 6.729 7.800 -15.720 1.00 49.82 H new ATOM 0 HE2 LYS A 66 5.501 8.105 -13.727 1.00 50.21 H new ATOM 0 HE3 LYS A 66 6.077 6.608 -13.022 1.00 50.21 H new ATOM 0 HZ1 LYS A 66 7.133 8.504 -11.994 1.00 49.70 H new ATOM 0 HZ2 LYS A 66 8.295 7.593 -12.833 1.00 49.70 H new ATOM 0 HZ3 LYS A 66 7.718 9.048 -13.493 1.00 49.70 H new TER 938 LYS A 66