USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 454 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 23 ASN : amide:sc= -0.954 K(o=-21,f=-23!) USER MOD Set 1.2: A 26 GLN : amide:sc= -13.5! C(o=-21!,f=-11!) USER MOD Set 1.3: A 55 GLN : amide:sc= -6.16! C(o=-21!,f=-19!) USER MOD Set 2.1: A 21 ASN : amide:sc= -7.59! C(o=-12!,f=-5!) USER MOD Set 2.2: A 52 ASN : amide:sc= -4.62! C(o=-12!,f=-7.3!) USER MOD Single : A 1 VAL N :NH3+ -179:sc= -0.53 (180deg=-0.548) USER MOD Single : A 3 ASN : amide:sc= 0.35 K(o=0.35,f=-4.6!) USER MOD Single : A 4 LYS NZ :NH3+ 145:sc= 0.933 (180deg=0.068) USER MOD Single : A 6 ASN : amide:sc= -0.572 X(o=-0.57,f=-0.33) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= -0.271 (180deg=-1.08) USER MOD Single : A 13 THR OG1 : rot 103:sc= 0.329 USER MOD Single : A 18 ASN : amide:sc= -2.29 K(o=-2.3,f=-0.73) USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= -0.93 (180deg=-2.61!) USER MOD Single : A 33 SER OG : rot 72:sc= 1.11 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -3.86 K(o=-3.9,f=-7.1!) USER MOD Single : A 41 SER OG : rot -173:sc= 1.17 USER MOD Single : A 43 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1.6) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00131) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.996 (180deg=-1.32!) USER MOD Single : A 58 LYS NZ :NH3+ -127:sc= 0.791 (180deg=-2.04!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 13.446 -18.763 7.577 1.00 0.00 N ATOM 2 CA VAL A 1 13.009 -18.167 8.874 1.00 0.00 C ATOM 3 C VAL A 1 13.733 -16.835 9.086 1.00 0.00 C ATOM 4 O VAL A 1 13.147 -15.875 9.590 1.00 0.00 O ATOM 5 CB VAL A 1 13.315 -19.151 10.022 1.00 0.00 C ATOM 6 CG1 VAL A 1 14.827 -19.405 10.129 1.00 0.00 C ATOM 7 CG2 VAL A 1 12.797 -18.578 11.351 1.00 0.00 C ATOM 0 H1 VAL A 1 12.944 -19.660 7.421 1.00 0.00 H new ATOM 0 H2 VAL A 1 13.229 -18.105 6.802 1.00 0.00 H new ATOM 0 H3 VAL A 1 14.470 -18.940 7.604 1.00 0.00 H new ATOM 0 HA VAL A 1 11.935 -17.981 8.859 1.00 0.00 H new ATOM 0 HB VAL A 1 12.814 -20.095 9.810 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.022 -20.101 10.944 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.192 -19.830 9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.341 -18.464 10.325 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.016 -19.277 12.158 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.288 -17.626 11.552 1.00 0.00 H new ATOM 0 HG23 VAL A 1 11.720 -18.424 11.286 1.00 0.00 H new ATOM 19 N ASP A 2 15.005 -16.792 8.688 1.00 0.00 N ATOM 20 CA ASP A 2 15.820 -15.584 8.820 1.00 0.00 C ATOM 21 C ASP A 2 15.194 -14.427 8.042 1.00 0.00 C ATOM 22 O ASP A 2 15.230 -13.275 8.481 1.00 0.00 O ATOM 23 CB ASP A 2 17.229 -15.862 8.282 1.00 0.00 C ATOM 24 CG ASP A 2 17.156 -16.261 6.805 1.00 0.00 C ATOM 25 OD1 ASP A 2 16.853 -17.414 6.537 1.00 0.00 O ATOM 26 OD2 ASP A 2 17.386 -15.406 5.965 1.00 0.00 O ATOM 0 H ASP A 2 15.495 -17.583 8.270 1.00 0.00 H new ATOM 0 HA ASP A 2 15.873 -15.307 9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.853 -14.976 8.397 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.697 -16.659 8.860 1.00 0.00 H new ATOM 31 N ASN A 3 14.616 -14.759 6.888 1.00 0.00 N ATOM 32 CA ASN A 3 13.969 -13.772 6.031 1.00 0.00 C ATOM 33 C ASN A 3 12.477 -13.705 6.348 1.00 0.00 C ATOM 34 O ASN A 3 11.736 -14.662 6.110 1.00 0.00 O ATOM 35 CB ASN A 3 14.185 -14.141 4.554 1.00 0.00 C ATOM 36 CG ASN A 3 13.811 -15.603 4.303 1.00 0.00 C ATOM 37 OD1 ASN A 3 14.461 -16.512 4.822 1.00 0.00 O ATOM 38 ND2 ASN A 3 12.794 -15.884 3.538 1.00 0.00 N ATOM 0 H ASN A 3 14.584 -15.712 6.525 1.00 0.00 H new ATOM 0 HA ASN A 3 14.410 -12.793 6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 3 13.582 -13.492 3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 3 15.227 -13.975 4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.536 -16.856 3.369 1.00 0.00 H new ATOM 0 HD22 ASN A 3 12.256 -15.132 3.108 1.00 0.00 H new ATOM 45 N LYS A 4 12.048 -12.570 6.900 1.00 0.00 N ATOM 46 CA LYS A 4 10.647 -12.375 7.267 1.00 0.00 C ATOM 47 C LYS A 4 9.882 -11.699 6.134 1.00 0.00 C ATOM 48 O LYS A 4 10.375 -10.754 5.514 1.00 0.00 O ATOM 49 CB LYS A 4 10.556 -11.510 8.534 1.00 0.00 C ATOM 50 CG LYS A 4 10.887 -12.351 9.780 1.00 0.00 C ATOM 51 CD LYS A 4 12.404 -12.580 9.880 1.00 0.00 C ATOM 52 CE LYS A 4 12.746 -13.221 11.229 1.00 0.00 C ATOM 53 NZ LYS A 4 14.134 -13.764 11.179 1.00 0.00 N ATOM 0 H LYS A 4 12.651 -11.773 7.102 1.00 0.00 H new ATOM 0 HA LYS A 4 10.202 -13.352 7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.247 -10.670 8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.554 -11.091 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.529 -11.843 10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.370 -13.309 9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.738 -13.224 9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.932 -11.632 9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.660 -12.484 12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.039 -14.019 11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.585 -13.651 12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.103 -14.773 10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.684 -13.247 10.463 1.00 0.00 H new ATOM 67 N PHE A 5 8.665 -12.183 5.884 1.00 0.00 N ATOM 68 CA PHE A 5 7.813 -11.619 4.836 1.00 0.00 C ATOM 69 C PHE A 5 7.342 -10.221 5.236 1.00 0.00 C ATOM 70 O PHE A 5 6.843 -9.459 4.408 1.00 0.00 O ATOM 71 CB PHE A 5 6.600 -12.534 4.597 1.00 0.00 C ATOM 72 CG PHE A 5 5.662 -12.475 5.789 1.00 0.00 C ATOM 73 CD1 PHE A 5 5.908 -13.262 6.922 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.549 -11.623 5.760 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.045 -13.197 8.021 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.685 -11.560 6.859 1.00 0.00 C ATOM 77 CZ PHE A 5 3.934 -12.346 7.990 1.00 0.00 C ATOM 0 H PHE A 5 8.247 -12.963 6.392 1.00 0.00 H new ATOM 0 HA PHE A 5 8.390 -11.545 3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.074 -12.225 3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.933 -13.559 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.765 -13.919 6.947 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.358 -11.015 4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.236 -13.804 8.894 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.826 -10.905 6.834 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.269 -12.296 8.839 1.00 0.00 H new ATOM 87 N ASN A 6 7.508 -9.910 6.522 1.00 0.00 N ATOM 88 CA ASN A 6 7.111 -8.616 7.075 1.00 0.00 C ATOM 89 C ASN A 6 7.754 -7.466 6.300 1.00 0.00 C ATOM 90 O ASN A 6 7.182 -6.380 6.200 1.00 0.00 O ATOM 91 CB ASN A 6 7.525 -8.535 8.548 1.00 0.00 C ATOM 92 CG ASN A 6 6.921 -9.701 9.332 1.00 0.00 C ATOM 93 OD1 ASN A 6 7.612 -10.339 10.126 1.00 0.00 O ATOM 94 ND2 ASN A 6 5.669 -10.022 9.153 1.00 0.00 N ATOM 0 H ASN A 6 7.919 -10.545 7.206 1.00 0.00 H new ATOM 0 HA ASN A 6 6.028 -8.526 6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.612 -8.557 8.629 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.192 -7.589 8.975 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.263 -10.801 9.671 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.096 -9.494 8.495 1.00 0.00 H new ATOM 101 N LYS A 7 8.943 -7.721 5.752 1.00 0.00 N ATOM 102 CA LYS A 7 9.664 -6.709 4.980 1.00 0.00 C ATOM 103 C LYS A 7 8.818 -6.222 3.807 1.00 0.00 C ATOM 104 O LYS A 7 8.846 -5.043 3.450 1.00 0.00 O ATOM 105 CB LYS A 7 10.985 -7.290 4.459 1.00 0.00 C ATOM 106 CG LYS A 7 11.900 -7.647 5.642 1.00 0.00 C ATOM 107 CD LYS A 7 13.315 -7.983 5.141 1.00 0.00 C ATOM 108 CE LYS A 7 13.324 -9.336 4.415 1.00 0.00 C ATOM 109 NZ LYS A 7 13.155 -10.435 5.408 1.00 0.00 N ATOM 0 H LYS A 7 9.425 -8.616 5.828 1.00 0.00 H new ATOM 0 HA LYS A 7 9.874 -5.863 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.790 -8.178 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.480 -6.567 3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.943 -6.812 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.488 -8.497 6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.663 -7.200 4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.007 -8.011 5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.521 -9.371 3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.261 -9.463 3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.491 -11.329 4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.706 -10.218 6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.150 -10.525 5.658 1.00 0.00 H new ATOM 123 N GLU A 8 8.060 -7.147 3.228 1.00 0.00 N ATOM 124 CA GLU A 8 7.186 -6.835 2.099 1.00 0.00 C ATOM 125 C GLU A 8 6.085 -5.866 2.516 1.00 0.00 C ATOM 126 O GLU A 8 5.630 -5.042 1.724 1.00 0.00 O ATOM 127 CB GLU A 8 6.570 -8.122 1.524 1.00 0.00 C ATOM 128 CG GLU A 8 5.733 -7.796 0.272 1.00 0.00 C ATOM 129 CD GLU A 8 6.586 -7.080 -0.783 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.651 -7.583 -1.108 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.158 -6.040 -1.255 1.00 0.00 O ATOM 0 H GLU A 8 8.032 -8.123 3.522 1.00 0.00 H new ATOM 0 HA GLU A 8 7.789 -6.358 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.359 -8.830 1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.943 -8.601 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.324 -8.715 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.886 -7.168 0.549 1.00 0.00 H new ATOM 138 N LEU A 9 5.660 -5.974 3.762 1.00 0.00 N ATOM 139 CA LEU A 9 4.614 -5.096 4.273 1.00 0.00 C ATOM 140 C LEU A 9 5.151 -3.686 4.436 1.00 0.00 C ATOM 141 O LEU A 9 4.424 -2.718 4.231 1.00 0.00 O ATOM 142 CB LEU A 9 4.063 -5.601 5.616 1.00 0.00 C ATOM 143 CG LEU A 9 3.226 -6.870 5.402 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.133 -8.020 4.956 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.522 -7.249 6.712 1.00 0.00 C ATOM 0 H LEU A 9 6.016 -6.652 4.435 1.00 0.00 H new ATOM 0 HA LEU A 9 3.798 -5.094 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.886 -5.810 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.452 -4.827 6.081 1.00 0.00 H new ATOM 0 HG LEU A 9 2.479 -6.681 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.534 -8.918 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.627 -7.752 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.884 -8.209 5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.928 -8.150 6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.267 -7.433 7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.870 -6.433 7.024 1.00 0.00 H new ATOM 157 N GLY A 10 6.443 -3.576 4.760 1.00 0.00 N ATOM 158 CA GLY A 10 7.074 -2.275 4.904 1.00 0.00 C ATOM 159 C GLY A 10 7.301 -1.712 3.523 1.00 0.00 C ATOM 160 O GLY A 10 7.311 -0.498 3.309 1.00 0.00 O ATOM 0 H GLY A 10 7.062 -4.370 4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.441 -1.607 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.020 -2.367 5.438 1.00 0.00 H new ATOM 164 N TRP A 11 7.489 -2.641 2.591 1.00 0.00 N ATOM 165 CA TRP A 11 7.729 -2.306 1.212 1.00 0.00 C ATOM 166 C TRP A 11 6.554 -1.546 0.616 1.00 0.00 C ATOM 167 O TRP A 11 6.712 -0.462 0.077 1.00 0.00 O ATOM 168 CB TRP A 11 7.919 -3.606 0.428 1.00 0.00 C ATOM 169 CG TRP A 11 8.486 -3.286 -0.892 1.00 0.00 C ATOM 170 CD1 TRP A 11 9.787 -3.104 -1.114 1.00 0.00 C ATOM 171 CD2 TRP A 11 7.803 -3.100 -2.162 1.00 0.00 C ATOM 172 NE1 TRP A 11 9.965 -2.781 -2.450 1.00 0.00 N ATOM 173 CE2 TRP A 11 8.768 -2.784 -3.139 1.00 0.00 C ATOM 174 CE3 TRP A 11 6.454 -3.172 -2.553 1.00 0.00 C ATOM 175 CZ2 TRP A 11 8.412 -2.545 -4.465 1.00 0.00 C ATOM 176 CZ3 TRP A 11 6.091 -2.935 -3.888 1.00 0.00 C ATOM 177 CH2 TRP A 11 7.069 -2.622 -4.842 1.00 0.00 C ATOM 0 H TRP A 11 7.477 -3.643 2.781 1.00 0.00 H new ATOM 0 HA TRP A 11 8.614 -1.673 1.154 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.582 -4.280 0.970 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.965 -4.121 0.314 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.571 -3.193 -0.377 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.869 -2.567 -2.872 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.694 -3.411 -1.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.169 -2.302 -5.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.053 -2.994 -4.181 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.785 -2.440 -5.868 1.00 0.00 H new ATOM 188 N ALA A 12 5.371 -2.115 0.717 1.00 0.00 N ATOM 189 CA ALA A 12 4.200 -1.453 0.174 1.00 0.00 C ATOM 190 C ALA A 12 3.796 -0.224 0.984 1.00 0.00 C ATOM 191 O ALA A 12 3.237 0.718 0.447 1.00 0.00 O ATOM 192 CB ALA A 12 3.040 -2.420 0.082 1.00 0.00 C ATOM 0 H ALA A 12 5.194 -3.016 1.160 1.00 0.00 H new ATOM 0 HA ALA A 12 4.465 -1.109 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.170 -1.907 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.310 -3.252 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.803 -2.800 1.076 1.00 0.00 H new ATOM 198 N THR A 13 4.036 -0.256 2.289 1.00 0.00 N ATOM 199 CA THR A 13 3.615 0.852 3.150 1.00 0.00 C ATOM 200 C THR A 13 4.229 2.161 2.711 1.00 0.00 C ATOM 201 O THR A 13 3.512 3.146 2.551 1.00 0.00 O ATOM 202 CB THR A 13 3.994 0.579 4.618 1.00 0.00 C ATOM 203 OG1 THR A 13 3.324 -0.586 5.075 1.00 0.00 O ATOM 204 CG2 THR A 13 3.600 1.776 5.501 1.00 0.00 C ATOM 0 H THR A 13 4.510 -1.019 2.771 1.00 0.00 H new ATOM 0 HA THR A 13 2.531 0.930 3.064 1.00 0.00 H new ATOM 0 HB THR A 13 5.072 0.430 4.681 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.950 -1.340 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.873 1.570 6.536 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.123 2.669 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.524 1.938 5.435 1.00 0.00 H new ATOM 212 N TRP A 14 5.535 2.170 2.489 1.00 0.00 N ATOM 213 CA TRP A 14 6.193 3.384 2.045 1.00 0.00 C ATOM 214 C TRP A 14 5.765 3.698 0.589 1.00 0.00 C ATOM 215 O TRP A 14 5.556 4.861 0.249 1.00 0.00 O ATOM 216 CB TRP A 14 7.728 3.253 2.212 1.00 0.00 C ATOM 217 CG TRP A 14 8.370 3.441 0.889 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.566 4.621 0.260 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.818 2.417 -0.001 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.078 4.365 -0.994 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.255 3.013 -1.194 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.876 1.033 0.118 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.720 2.248 -2.243 1.00 0.00 C ATOM 224 CZ3 TRP A 14 9.347 0.259 -0.934 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.762 0.862 -2.115 1.00 0.00 C ATOM 0 H TRP A 14 6.149 1.364 2.607 1.00 0.00 H new ATOM 0 HA TRP A 14 5.887 4.228 2.662 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.096 3.997 2.919 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.981 2.274 2.619 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.357 5.598 0.670 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.297 5.083 -1.684 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.553 0.558 1.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 10.049 2.720 -3.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 9.391 -0.815 -0.834 1.00 0.00 H new ATOM 0 HH2 TRP A 14 10.118 0.255 -2.935 1.00 0.00 H new ATOM 236 N GLU A 15 5.642 2.654 -0.267 1.00 0.00 N ATOM 237 CA GLU A 15 5.254 2.856 -1.669 1.00 0.00 C ATOM 238 C GLU A 15 3.909 3.563 -1.776 1.00 0.00 C ATOM 239 O GLU A 15 3.751 4.529 -2.525 1.00 0.00 O ATOM 240 CB GLU A 15 5.094 1.481 -2.321 1.00 0.00 C ATOM 241 CG GLU A 15 6.440 0.792 -2.508 1.00 0.00 C ATOM 242 CD GLU A 15 7.115 1.238 -3.811 1.00 0.00 C ATOM 243 OE1 GLU A 15 7.180 2.432 -4.056 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.566 0.374 -4.543 1.00 0.00 O ATOM 0 H GLU A 15 5.805 1.681 -0.009 1.00 0.00 H new ATOM 0 HA GLU A 15 6.020 3.461 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.447 0.857 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.603 1.590 -3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.089 1.020 -1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.300 -0.289 -2.519 1.00 0.00 H new ATOM 251 N ILE A 16 2.961 3.068 -1.012 1.00 0.00 N ATOM 252 CA ILE A 16 1.611 3.613 -0.972 1.00 0.00 C ATOM 253 C ILE A 16 1.653 4.995 -0.358 1.00 0.00 C ATOM 254 O ILE A 16 1.041 5.935 -0.852 1.00 0.00 O ATOM 255 CB ILE A 16 0.774 2.622 -0.163 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.839 1.300 -0.927 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.693 3.072 -0.008 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.178 0.201 -0.121 1.00 0.00 C ATOM 0 H ILE A 16 3.101 2.269 -0.394 1.00 0.00 H new ATOM 0 HA ILE A 16 1.167 3.732 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 16 1.168 2.540 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.342 1.404 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.878 1.039 -1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.241 2.332 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.726 4.034 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.150 3.169 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.229 -0.737 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.694 0.089 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.866 0.459 0.059 1.00 0.00 H new ATOM 270 N PHE A 17 2.430 5.108 0.699 1.00 0.00 N ATOM 271 CA PHE A 17 2.613 6.389 1.376 1.00 0.00 C ATOM 272 C PHE A 17 3.291 7.409 0.459 1.00 0.00 C ATOM 273 O PHE A 17 3.232 8.613 0.715 1.00 0.00 O ATOM 274 CB PHE A 17 3.487 6.197 2.616 1.00 0.00 C ATOM 275 CG PHE A 17 2.660 6.162 3.885 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.566 7.031 4.064 1.00 0.00 C ATOM 277 CD2 PHE A 17 2.997 5.252 4.893 1.00 0.00 C ATOM 278 CE1 PHE A 17 0.824 6.976 5.249 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.256 5.204 6.075 1.00 0.00 C ATOM 280 CZ PHE A 17 1.168 6.065 6.256 1.00 0.00 C ATOM 0 H PHE A 17 2.948 4.333 1.113 1.00 0.00 H new ATOM 0 HA PHE A 17 1.627 6.761 1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.051 5.269 2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.214 7.007 2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.301 7.736 3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.834 4.584 4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.017 7.639 5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.523 4.501 6.851 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.595 6.027 7.170 1.00 0.00 H new ATOM 290 N ASN A 18 3.941 6.920 -0.597 1.00 0.00 N ATOM 291 CA ASN A 18 4.640 7.791 -1.537 1.00 0.00 C ATOM 292 C ASN A 18 3.734 8.126 -2.712 1.00 0.00 C ATOM 293 O ASN A 18 4.169 8.138 -3.869 1.00 0.00 O ATOM 294 CB ASN A 18 5.932 7.108 -2.021 1.00 0.00 C ATOM 295 CG ASN A 18 7.037 7.261 -0.976 1.00 0.00 C ATOM 296 OD1 ASN A 18 8.218 7.284 -1.323 1.00 0.00 O ATOM 297 ND2 ASN A 18 6.727 7.364 0.289 1.00 0.00 N ATOM 0 H ASN A 18 3.997 5.927 -0.821 1.00 0.00 H new ATOM 0 HA ASN A 18 4.907 8.721 -1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.744 6.051 -2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.252 7.548 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.463 7.463 0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.749 7.345 0.578 1.00 0.00 H new ATOM 304 N LEU A 19 2.469 8.412 -2.404 1.00 0.00 N ATOM 305 CA LEU A 19 1.510 8.758 -3.431 1.00 0.00 C ATOM 306 C LEU A 19 1.214 10.243 -3.389 1.00 0.00 C ATOM 307 O LEU A 19 1.212 10.853 -2.317 1.00 0.00 O ATOM 308 CB LEU A 19 0.224 7.954 -3.262 1.00 0.00 C ATOM 309 CG LEU A 19 0.412 6.531 -3.814 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.938 5.859 -3.989 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.099 6.560 -5.171 1.00 0.00 C ATOM 0 H LEU A 19 2.094 8.409 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 19 1.940 8.513 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.050 7.910 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.595 8.449 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 19 1.027 5.980 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.795 4.852 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.445 5.805 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.544 6.437 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.220 5.541 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.492 7.130 -5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.078 7.029 -5.073 1.00 0.00 H new ATOM 323 N PRO A 20 1.010 10.838 -4.535 1.00 0.00 N ATOM 324 CA PRO A 20 0.765 12.288 -4.629 1.00 0.00 C ATOM 325 C PRO A 20 -0.515 12.797 -3.956 1.00 0.00 C ATOM 326 O PRO A 20 -0.620 14.010 -3.754 1.00 0.00 O ATOM 327 CB PRO A 20 0.730 12.607 -6.132 1.00 0.00 C ATOM 328 CG PRO A 20 0.952 11.327 -6.872 1.00 0.00 C ATOM 329 CD PRO A 20 1.000 10.186 -5.858 1.00 0.00 C ATOM 0 HA PRO A 20 1.559 12.798 -4.083 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.228 13.047 -6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.500 13.335 -6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.150 11.161 -7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.883 11.372 -7.437 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.137 9.528 -5.965 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.889 9.571 -6.000 1.00 0.00 H new ATOM 337 N ASN A 21 -1.509 11.937 -3.643 1.00 0.00 N ATOM 338 CA ASN A 21 -2.740 12.481 -3.049 1.00 0.00 C ATOM 339 C ASN A 21 -3.333 11.640 -1.917 1.00 0.00 C ATOM 340 O ASN A 21 -4.455 11.911 -1.496 1.00 0.00 O ATOM 341 CB ASN A 21 -3.789 12.667 -4.149 1.00 0.00 C ATOM 342 CG ASN A 21 -3.212 13.492 -5.297 1.00 0.00 C ATOM 343 OD1 ASN A 21 -3.035 14.702 -5.167 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.910 12.907 -6.419 1.00 0.00 N ATOM 0 H ASN A 21 -1.488 10.927 -3.782 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.459 13.431 -2.594 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.115 11.695 -4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.669 13.164 -3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.526 13.452 -7.191 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.057 11.903 -6.527 1.00 0.00 H new ATOM 351 N LEU A 22 -2.607 10.648 -1.401 1.00 0.00 N ATOM 352 CA LEU A 22 -3.140 9.841 -0.309 1.00 0.00 C ATOM 353 C LEU A 22 -3.150 10.592 1.011 1.00 0.00 C ATOM 354 O LEU A 22 -2.418 11.564 1.206 1.00 0.00 O ATOM 355 CB LEU A 22 -2.289 8.604 -0.078 1.00 0.00 C ATOM 356 CG LEU A 22 -2.490 7.536 -1.152 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.774 6.254 -0.701 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.980 7.232 -1.333 1.00 0.00 C ATOM 0 H LEU A 22 -1.671 10.390 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.155 9.583 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.238 8.892 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.529 8.181 0.898 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.086 7.896 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.906 5.479 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.711 6.457 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.196 5.915 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.105 6.469 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.394 6.870 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.503 8.140 -1.634 1.00 0.00 H new ATOM 370 N ASN A 23 -3.947 10.060 1.933 1.00 0.00 N ATOM 371 CA ASN A 23 -4.038 10.578 3.283 1.00 0.00 C ATOM 372 C ASN A 23 -3.789 9.410 4.238 1.00 0.00 C ATOM 373 O ASN A 23 -3.906 8.246 3.839 1.00 0.00 O ATOM 374 CB ASN A 23 -5.414 11.215 3.527 1.00 0.00 C ATOM 375 CG ASN A 23 -6.525 10.238 3.161 1.00 0.00 C ATOM 376 OD1 ASN A 23 -6.619 9.169 3.746 1.00 0.00 O ATOM 377 ND2 ASN A 23 -7.372 10.546 2.220 1.00 0.00 N ATOM 0 H ASN A 23 -4.548 9.254 1.758 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.296 11.360 3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.507 11.505 4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.511 12.124 2.934 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.116 9.894 1.970 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.291 11.439 1.733 1.00 0.00 H new ATOM 384 N GLY A 24 -3.421 9.715 5.477 1.00 0.00 N ATOM 385 CA GLY A 24 -3.125 8.682 6.471 1.00 0.00 C ATOM 386 C GLY A 24 -4.201 7.594 6.530 1.00 0.00 C ATOM 387 O GLY A 24 -3.901 6.449 6.857 1.00 0.00 O ATOM 0 H GLY A 24 -3.319 10.670 5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.164 8.224 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.028 9.145 7.453 1.00 0.00 H new ATOM 391 N VAL A 25 -5.447 7.955 6.218 1.00 0.00 N ATOM 392 CA VAL A 25 -6.549 6.991 6.254 1.00 0.00 C ATOM 393 C VAL A 25 -6.471 6.006 5.086 1.00 0.00 C ATOM 394 O VAL A 25 -6.550 4.793 5.285 1.00 0.00 O ATOM 395 CB VAL A 25 -7.892 7.735 6.215 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.046 6.724 6.285 1.00 0.00 C ATOM 397 CG2 VAL A 25 -7.977 8.691 7.412 1.00 0.00 C ATOM 0 H VAL A 25 -5.717 8.898 5.940 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.468 6.423 7.181 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.966 8.302 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.997 7.255 6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.985 6.043 5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.975 6.155 7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.929 9.221 7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.902 8.122 8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.160 9.411 7.362 1.00 0.00 H new ATOM 407 N GLN A 26 -6.330 6.540 3.871 1.00 0.00 N ATOM 408 CA GLN A 26 -6.262 5.717 2.673 1.00 0.00 C ATOM 409 C GLN A 26 -5.017 4.858 2.652 1.00 0.00 C ATOM 410 O GLN A 26 -5.082 3.677 2.316 1.00 0.00 O ATOM 411 CB GLN A 26 -6.309 6.621 1.447 1.00 0.00 C ATOM 412 CG GLN A 26 -7.701 7.256 1.365 1.00 0.00 C ATOM 413 CD GLN A 26 -7.909 7.993 0.042 1.00 0.00 C ATOM 414 OE1 GLN A 26 -8.914 8.680 -0.129 1.00 0.00 O ATOM 415 NE2 GLN A 26 -7.033 7.882 -0.915 1.00 0.00 N ATOM 0 H GLN A 26 -6.261 7.542 3.696 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.116 5.040 2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.544 7.394 1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.101 6.046 0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.461 6.482 1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.833 7.952 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.197 7.313 -0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.182 8.364 -1.802 1.00 0.00 H new ATOM 424 N VAL A 27 -3.891 5.447 3.025 1.00 0.00 N ATOM 425 CA VAL A 27 -2.644 4.705 3.048 1.00 0.00 C ATOM 426 C VAL A 27 -2.749 3.558 4.038 1.00 0.00 C ATOM 427 O VAL A 27 -2.440 2.411 3.708 1.00 0.00 O ATOM 428 CB VAL A 27 -1.488 5.624 3.441 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.181 4.828 3.375 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.428 6.809 2.474 1.00 0.00 C ATOM 0 H VAL A 27 -3.816 6.423 3.312 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.452 4.306 2.052 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.636 6.001 4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.652 5.473 3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.233 3.985 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.031 4.459 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.604 7.465 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.272 6.443 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.365 7.364 2.520 1.00 0.00 H new ATOM 440 N LYS A 28 -3.226 3.879 5.240 1.00 0.00 N ATOM 441 CA LYS A 28 -3.407 2.879 6.280 1.00 0.00 C ATOM 442 C LYS A 28 -4.305 1.768 5.775 1.00 0.00 C ATOM 443 O LYS A 28 -4.111 0.618 6.121 1.00 0.00 O ATOM 444 CB LYS A 28 -4.020 3.504 7.541 1.00 0.00 C ATOM 445 CG LYS A 28 -2.929 4.217 8.361 1.00 0.00 C ATOM 446 CD LYS A 28 -2.108 3.194 9.170 1.00 0.00 C ATOM 447 CE LYS A 28 -2.980 2.549 10.260 1.00 0.00 C ATOM 448 NZ LYS A 28 -3.512 1.245 9.769 1.00 0.00 N ATOM 0 H LYS A 28 -3.493 4.825 5.513 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.429 2.471 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.799 4.214 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.494 2.731 8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.271 4.775 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.387 4.940 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.717 2.424 8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.249 3.687 9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.393 2.396 11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.803 3.214 10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.530 1.187 9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.359 1.172 8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.018 0.466 10.249 1.00 0.00 H new ATOM 462 N ALA A 29 -5.281 2.136 4.951 1.00 0.00 N ATOM 463 CA ALA A 29 -6.217 1.180 4.387 1.00 0.00 C ATOM 464 C ALA A 29 -5.494 0.158 3.528 1.00 0.00 C ATOM 465 O ALA A 29 -5.803 -1.034 3.572 1.00 0.00 O ATOM 466 CB ALA A 29 -7.237 1.918 3.524 1.00 0.00 C ATOM 0 H ALA A 29 -5.442 3.100 4.659 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.716 0.663 5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.941 1.202 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.778 2.639 4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.722 2.441 2.718 1.00 0.00 H new ATOM 472 N PHE A 30 -4.532 0.634 2.739 1.00 0.00 N ATOM 473 CA PHE A 30 -3.781 -0.233 1.877 1.00 0.00 C ATOM 474 C PHE A 30 -2.821 -1.060 2.696 1.00 0.00 C ATOM 475 O PHE A 30 -2.671 -2.262 2.481 1.00 0.00 O ATOM 476 CB PHE A 30 -3.093 0.607 0.815 1.00 0.00 C ATOM 477 CG PHE A 30 -4.179 1.251 -0.016 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.153 0.445 -0.626 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.253 2.642 -0.139 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.181 1.028 -1.353 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.278 3.217 -0.874 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.246 2.409 -1.484 1.00 0.00 C ATOM 0 H PHE A 30 -4.266 1.617 2.690 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.435 -0.937 1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.459 1.365 1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.448 -0.013 0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.102 -0.629 -0.529 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.513 3.267 0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.932 0.407 -1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.330 4.291 -0.977 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.043 2.860 -2.056 1.00 0.00 H new ATOM 492 N ILE A 31 -2.224 -0.409 3.679 1.00 0.00 N ATOM 493 CA ILE A 31 -1.328 -1.076 4.598 1.00 0.00 C ATOM 494 C ILE A 31 -2.132 -2.056 5.447 1.00 0.00 C ATOM 495 O ILE A 31 -1.654 -3.135 5.799 1.00 0.00 O ATOM 496 CB ILE A 31 -0.583 -0.032 5.423 1.00 0.00 C ATOM 497 CG1 ILE A 31 0.346 0.720 4.463 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.253 -0.693 6.527 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.440 2.176 4.860 1.00 0.00 C ATOM 0 H ILE A 31 -2.347 0.587 3.859 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.572 -1.654 4.067 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.294 0.639 5.904 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.338 0.267 4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.029 0.637 3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.773 0.075 7.099 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.402 -1.258 7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.983 -1.366 6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.103 2.699 4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.551 2.628 4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.837 2.252 5.872 1.00 0.00 H new ATOM 511 N ASP A 32 -3.383 -1.691 5.735 1.00 0.00 N ATOM 512 CA ASP A 32 -4.257 -2.590 6.486 1.00 0.00 C ATOM 513 C ASP A 32 -4.458 -3.855 5.654 1.00 0.00 C ATOM 514 O ASP A 32 -4.444 -4.971 6.177 1.00 0.00 O ATOM 515 CB ASP A 32 -5.616 -1.928 6.792 1.00 0.00 C ATOM 516 CG ASP A 32 -5.492 -0.903 7.929 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.712 -1.134 8.841 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.190 0.096 7.877 1.00 0.00 O ATOM 0 H ASP A 32 -3.805 -0.802 5.467 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.795 -2.831 7.444 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.994 -1.436 5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.342 -2.693 7.066 1.00 0.00 H new ATOM 523 N SER A 33 -4.600 -3.652 4.337 1.00 0.00 N ATOM 524 CA SER A 33 -4.758 -4.756 3.393 1.00 0.00 C ATOM 525 C SER A 33 -3.465 -5.570 3.314 1.00 0.00 C ATOM 526 O SER A 33 -3.498 -6.774 3.060 1.00 0.00 O ATOM 527 CB SER A 33 -5.125 -4.222 2.007 1.00 0.00 C ATOM 528 OG SER A 33 -6.234 -3.340 2.117 1.00 0.00 O ATOM 0 H SER A 33 -4.608 -2.728 3.905 1.00 0.00 H new ATOM 0 HA SER A 33 -5.563 -5.402 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.274 -3.700 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.369 -5.049 1.340 1.00 0.00 H new ATOM 0 HG SER A 33 -5.946 -2.503 2.539 1.00 0.00 H new ATOM 534 N LEU A 34 -2.326 -4.896 3.534 1.00 0.00 N ATOM 535 CA LEU A 34 -1.016 -5.558 3.492 1.00 0.00 C ATOM 536 C LEU A 34 -0.990 -6.708 4.497 1.00 0.00 C ATOM 537 O LEU A 34 -0.538 -7.812 4.197 1.00 0.00 O ATOM 538 CB LEU A 34 0.091 -4.554 3.908 1.00 0.00 C ATOM 539 CG LEU A 34 1.122 -4.303 2.810 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.489 -5.608 2.097 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.534 -3.276 1.844 1.00 0.00 C ATOM 0 H LEU A 34 -2.287 -3.898 3.742 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.845 -5.924 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.372 -3.607 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.600 -4.932 4.795 1.00 0.00 H new ATOM 0 HG LEU A 34 2.047 -3.915 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.225 -5.403 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.908 -6.311 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.596 -6.040 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.249 -3.075 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.388 -3.667 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.321 -2.352 2.381 1.00 0.00 H new ATOM 553 N ARG A 35 -1.488 -6.412 5.692 1.00 0.00 N ATOM 554 CA ARG A 35 -1.548 -7.388 6.778 1.00 0.00 C ATOM 555 C ARG A 35 -2.514 -8.510 6.421 1.00 0.00 C ATOM 556 O ARG A 35 -2.250 -9.687 6.678 1.00 0.00 O ATOM 557 CB ARG A 35 -2.041 -6.698 8.054 1.00 0.00 C ATOM 558 CG ARG A 35 -1.034 -5.627 8.508 1.00 0.00 C ATOM 559 CD ARG A 35 -1.779 -4.428 9.112 1.00 0.00 C ATOM 560 NE ARG A 35 -2.949 -4.872 9.871 1.00 0.00 N ATOM 561 CZ ARG A 35 -4.087 -4.186 9.852 1.00 0.00 C ATOM 562 NH1 ARG A 35 -4.985 -4.439 8.944 1.00 0.00 N ATOM 563 NH2 ARG A 35 -4.303 -3.263 10.743 1.00 0.00 N ATOM 0 H ARG A 35 -1.860 -5.494 5.936 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.553 -7.803 6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.013 -6.239 7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.178 -7.436 8.844 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.349 -6.049 9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.430 -5.301 7.661 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.108 -3.868 9.764 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.091 -3.750 8.317 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.890 -5.726 10.426 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.815 -5.164 8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.858 -3.912 8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.599 -3.067 11.455 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.176 -2.736 10.730 1.00 0.00 H new ATOM 577 N ASP A 36 -3.633 -8.113 5.825 1.00 0.00 N ATOM 578 CA ASP A 36 -4.671 -9.046 5.411 1.00 0.00 C ATOM 579 C ASP A 36 -4.147 -9.967 4.320 1.00 0.00 C ATOM 580 O ASP A 36 -4.518 -11.140 4.239 1.00 0.00 O ATOM 581 CB ASP A 36 -5.879 -8.250 4.899 1.00 0.00 C ATOM 582 CG ASP A 36 -6.431 -7.318 5.990 1.00 0.00 C ATOM 583 OD1 ASP A 36 -6.290 -7.633 7.163 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.988 -6.293 5.633 1.00 0.00 O ATOM 0 H ASP A 36 -3.844 -7.137 5.616 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.971 -9.660 6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.589 -7.663 4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.660 -8.937 4.574 1.00 0.00 H new ATOM 589 N ASP A 37 -3.273 -9.410 3.495 1.00 0.00 N ATOM 590 CA ASP A 37 -2.660 -10.141 2.398 1.00 0.00 C ATOM 591 C ASP A 37 -1.377 -9.440 1.964 1.00 0.00 C ATOM 592 O ASP A 37 -1.413 -8.424 1.266 1.00 0.00 O ATOM 593 CB ASP A 37 -3.635 -10.251 1.223 1.00 0.00 C ATOM 594 CG ASP A 37 -3.101 -11.244 0.186 1.00 0.00 C ATOM 595 OD1 ASP A 37 -2.169 -10.895 -0.521 1.00 0.00 O ATOM 596 OD2 ASP A 37 -3.630 -12.340 0.117 1.00 0.00 O ATOM 0 H ASP A 37 -2.969 -8.439 3.568 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.414 -11.148 2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.612 -10.577 1.580 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.774 -9.273 0.763 1.00 0.00 H new ATOM 601 N PRO A 38 -0.247 -9.954 2.380 1.00 0.00 N ATOM 602 CA PRO A 38 1.077 -9.369 2.041 1.00 0.00 C ATOM 603 C PRO A 38 1.520 -9.664 0.607 1.00 0.00 C ATOM 604 O PRO A 38 2.391 -8.978 0.069 1.00 0.00 O ATOM 605 CB PRO A 38 2.034 -10.007 3.056 1.00 0.00 C ATOM 606 CG PRO A 38 1.224 -10.909 3.930 1.00 0.00 C ATOM 607 CD PRO A 38 -0.097 -11.147 3.224 1.00 0.00 C ATOM 0 HA PRO A 38 1.052 -8.281 2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.816 -10.569 2.545 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.529 -9.240 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.745 -11.851 4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.062 -10.454 4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.077 -12.061 2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.920 -11.245 3.932 1.00 0.00 H new ATOM 615 N SER A 39 0.924 -10.687 0.003 1.00 0.00 N ATOM 616 CA SER A 39 1.264 -11.078 -1.361 1.00 0.00 C ATOM 617 C SER A 39 0.763 -10.052 -2.372 1.00 0.00 C ATOM 618 O SER A 39 1.311 -9.940 -3.471 1.00 0.00 O ATOM 619 CB SER A 39 0.657 -12.448 -1.676 1.00 0.00 C ATOM 620 OG SER A 39 1.165 -12.915 -2.919 1.00 0.00 O ATOM 0 H SER A 39 0.202 -11.261 0.437 1.00 0.00 H new ATOM 0 HA SER A 39 2.350 -11.130 -1.436 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.898 -13.156 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.430 -12.375 -1.719 1.00 0.00 H new ATOM 0 HG SER A 39 0.779 -13.793 -3.121 1.00 0.00 H new ATOM 626 N GLN A 40 -0.297 -9.328 -2.005 1.00 0.00 N ATOM 627 CA GLN A 40 -0.885 -8.342 -2.902 1.00 0.00 C ATOM 628 C GLN A 40 -0.422 -6.920 -2.620 1.00 0.00 C ATOM 629 O GLN A 40 -1.015 -5.994 -3.138 1.00 0.00 O ATOM 630 CB GLN A 40 -2.421 -8.441 -2.871 1.00 0.00 C ATOM 631 CG GLN A 40 -2.985 -7.945 -1.539 1.00 0.00 C ATOM 632 CD GLN A 40 -4.482 -8.235 -1.473 1.00 0.00 C ATOM 633 OE1 GLN A 40 -5.293 -7.315 -1.383 1.00 0.00 O ATOM 634 NE2 GLN A 40 -4.900 -9.470 -1.525 1.00 0.00 N ATOM 0 H GLN A 40 -0.760 -9.408 -1.099 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.531 -8.578 -3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.842 -7.854 -3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.724 -9.475 -3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.473 -8.436 -0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.807 -6.875 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.228 -10.233 -1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.899 -9.672 -1.491 1.00 0.00 H new ATOM 643 N SER A 41 0.646 -6.751 -1.832 1.00 0.00 N ATOM 644 CA SER A 41 1.167 -5.426 -1.508 1.00 0.00 C ATOM 645 C SER A 41 1.196 -4.504 -2.734 1.00 0.00 C ATOM 646 O SER A 41 0.897 -3.316 -2.626 1.00 0.00 O ATOM 647 CB SER A 41 2.584 -5.593 -0.935 1.00 0.00 C ATOM 648 OG SER A 41 3.550 -5.468 -1.973 1.00 0.00 O ATOM 0 H SER A 41 1.165 -7.520 -1.408 1.00 0.00 H new ATOM 0 HA SER A 41 0.508 -4.958 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.765 -4.841 -0.167 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.678 -6.567 -0.456 1.00 0.00 H new ATOM 0 HG SER A 41 4.438 -5.689 -1.622 1.00 0.00 H new ATOM 654 N ALA A 42 1.534 -5.067 -3.893 1.00 0.00 N ATOM 655 CA ALA A 42 1.590 -4.306 -5.136 1.00 0.00 C ATOM 656 C ALA A 42 0.190 -3.911 -5.606 1.00 0.00 C ATOM 657 O ALA A 42 -0.001 -2.871 -6.236 1.00 0.00 O ATOM 658 CB ALA A 42 2.267 -5.141 -6.216 1.00 0.00 C ATOM 0 H ALA A 42 1.774 -6.053 -3.995 1.00 0.00 H new ATOM 0 HA ALA A 42 2.162 -3.396 -4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.308 -4.571 -7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.279 -5.393 -5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.699 -6.057 -6.378 1.00 0.00 H new ATOM 664 N ASN A 43 -0.779 -4.757 -5.289 1.00 0.00 N ATOM 665 CA ASN A 43 -2.163 -4.526 -5.647 1.00 0.00 C ATOM 666 C ASN A 43 -2.716 -3.391 -4.801 1.00 0.00 C ATOM 667 O ASN A 43 -3.483 -2.562 -5.253 1.00 0.00 O ATOM 668 CB ASN A 43 -2.960 -5.803 -5.411 1.00 0.00 C ATOM 669 CG ASN A 43 -4.268 -5.794 -6.202 1.00 0.00 C ATOM 670 OD1 ASN A 43 -4.716 -4.747 -6.676 1.00 0.00 O ATOM 671 ND2 ASN A 43 -4.906 -6.914 -6.376 1.00 0.00 N ATOM 0 H ASN A 43 -0.623 -5.624 -4.775 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.238 -4.251 -6.699 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.362 -6.667 -5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.176 -5.909 -4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.778 -6.927 -6.905 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.534 -7.779 -5.983 1.00 0.00 H new ATOM 678 N LEU A 44 -2.268 -3.386 -3.562 1.00 0.00 N ATOM 679 CA LEU A 44 -2.626 -2.393 -2.571 1.00 0.00 C ATOM 680 C LEU A 44 -2.060 -1.096 -3.041 1.00 0.00 C ATOM 681 O LEU A 44 -2.694 -0.052 -2.965 1.00 0.00 O ATOM 682 CB LEU A 44 -2.057 -2.863 -1.225 1.00 0.00 C ATOM 683 CG LEU A 44 -2.498 -4.322 -1.075 1.00 0.00 C ATOM 684 CD1 LEU A 44 -1.961 -4.983 0.174 1.00 0.00 C ATOM 685 CD2 LEU A 44 -4.005 -4.375 -1.103 1.00 0.00 C ATOM 0 H LEU A 44 -1.626 -4.094 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.700 -2.261 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.970 -2.779 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.436 -2.253 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.080 -4.886 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.311 -6.014 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.871 -4.970 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.313 -4.442 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.335 -5.409 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.405 -3.780 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.366 -3.974 -2.050 1.00 0.00 H new ATOM 697 N LEU A 45 -0.884 -1.227 -3.622 1.00 0.00 N ATOM 698 CA LEU A 45 -0.201 -0.123 -4.245 1.00 0.00 C ATOM 699 C LEU A 45 -1.045 0.350 -5.407 1.00 0.00 C ATOM 700 O LEU A 45 -1.212 1.540 -5.646 1.00 0.00 O ATOM 701 CB LEU A 45 1.120 -0.621 -4.838 1.00 0.00 C ATOM 702 CG LEU A 45 2.327 -0.081 -4.127 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.231 1.445 -3.972 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.376 -0.832 -2.807 1.00 0.00 C ATOM 0 H LEU A 45 -0.377 -2.110 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.029 0.666 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.141 -1.710 -4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.169 -0.338 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 45 3.254 -0.236 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.116 1.815 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.167 1.907 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.341 1.697 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.234 -0.493 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.461 -0.642 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.468 -1.901 -3.000 1.00 0.00 H new ATOM 716 N ALA A 46 -1.556 -0.647 -6.129 1.00 0.00 N ATOM 717 CA ALA A 46 -2.376 -0.421 -7.303 1.00 0.00 C ATOM 718 C ALA A 46 -3.627 0.317 -6.911 1.00 0.00 C ATOM 719 O ALA A 46 -4.004 1.317 -7.517 1.00 0.00 O ATOM 720 CB ALA A 46 -2.772 -1.769 -7.909 1.00 0.00 C ATOM 0 H ALA A 46 -1.409 -1.632 -5.910 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.812 0.166 -8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.389 -1.604 -8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.874 -2.319 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.335 -2.346 -7.176 1.00 0.00 H new ATOM 726 N GLU A 47 -4.232 -0.186 -5.854 1.00 0.00 N ATOM 727 CA GLU A 47 -5.416 0.383 -5.298 1.00 0.00 C ATOM 728 C GLU A 47 -5.101 1.743 -4.717 1.00 0.00 C ATOM 729 O GLU A 47 -5.935 2.647 -4.700 1.00 0.00 O ATOM 730 CB GLU A 47 -5.881 -0.535 -4.199 1.00 0.00 C ATOM 731 CG GLU A 47 -6.474 -1.839 -4.763 1.00 0.00 C ATOM 732 CD GLU A 47 -7.570 -1.547 -5.792 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.500 -0.828 -5.460 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.463 -2.050 -6.899 1.00 0.00 O ATOM 0 H GLU A 47 -3.900 -1.014 -5.359 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.185 0.498 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.044 -0.770 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.630 -0.027 -3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.684 -2.431 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.885 -2.437 -3.949 1.00 0.00 H new ATOM 741 N ALA A 48 -3.876 1.862 -4.237 1.00 0.00 N ATOM 742 CA ALA A 48 -3.409 3.094 -3.651 1.00 0.00 C ATOM 743 C ALA A 48 -3.313 4.158 -4.718 1.00 0.00 C ATOM 744 O ALA A 48 -3.785 5.273 -4.524 1.00 0.00 O ATOM 745 CB ALA A 48 -2.044 2.876 -3.023 1.00 0.00 C ATOM 0 H ALA A 48 -3.186 1.111 -4.245 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.111 3.416 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.694 3.809 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.118 2.113 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.339 2.550 -3.788 1.00 0.00 H new ATOM 751 N LYS A 49 -2.743 3.785 -5.867 1.00 0.00 N ATOM 752 CA LYS A 49 -2.640 4.713 -6.988 1.00 0.00 C ATOM 753 C LYS A 49 -4.037 5.095 -7.399 1.00 0.00 C ATOM 754 O LYS A 49 -4.309 6.237 -7.747 1.00 0.00 O ATOM 755 CB LYS A 49 -1.934 4.046 -8.157 1.00 0.00 C ATOM 756 CG LYS A 49 -0.442 3.894 -7.832 1.00 0.00 C ATOM 757 CD LYS A 49 0.000 2.469 -8.148 1.00 0.00 C ATOM 758 CE LYS A 49 1.351 2.183 -7.485 1.00 0.00 C ATOM 759 NZ LYS A 49 2.423 2.947 -8.186 1.00 0.00 N ATOM 0 H LYS A 49 -2.352 2.859 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.068 5.593 -6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.376 3.069 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.062 4.641 -9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.143 4.606 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.262 4.118 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.747 1.760 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.079 2.334 -9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.318 2.465 -6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.567 1.115 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.342 2.739 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.448 2.670 -9.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.227 3.966 -8.114 1.00 0.00 H new ATOM 773 N LYS A 50 -4.921 4.107 -7.318 1.00 0.00 N ATOM 774 CA LYS A 50 -6.320 4.315 -7.646 1.00 0.00 C ATOM 775 C LYS A 50 -6.953 5.290 -6.666 1.00 0.00 C ATOM 776 O LYS A 50 -7.708 6.179 -7.065 1.00 0.00 O ATOM 777 CB LYS A 50 -7.070 2.976 -7.637 1.00 0.00 C ATOM 778 CG LYS A 50 -6.680 2.170 -8.875 1.00 0.00 C ATOM 779 CD LYS A 50 -7.368 0.803 -8.842 1.00 0.00 C ATOM 780 CE LYS A 50 -6.639 -0.155 -9.787 1.00 0.00 C ATOM 781 NZ LYS A 50 -5.777 -1.075 -8.993 1.00 0.00 N ATOM 0 H LYS A 50 -4.691 3.157 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.387 4.742 -8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.828 2.416 -6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.146 3.149 -7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.967 2.710 -9.777 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.598 2.042 -8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.362 0.405 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.412 0.901 -9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.361 -0.728 -10.370 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.032 0.408 -10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.609 -1.947 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.868 -0.612 -8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.252 -1.309 -8.098 1.00 0.00 H new ATOM 795 N LEU A 51 -6.624 5.130 -5.383 1.00 0.00 N ATOM 796 CA LEU A 51 -7.159 6.027 -4.359 1.00 0.00 C ATOM 797 C LEU A 51 -6.526 7.404 -4.470 1.00 0.00 C ATOM 798 O LEU A 51 -7.210 8.422 -4.353 1.00 0.00 O ATOM 799 CB LEU A 51 -6.984 5.445 -2.944 1.00 0.00 C ATOM 800 CG LEU A 51 -8.378 5.129 -2.341 1.00 0.00 C ATOM 801 CD1 LEU A 51 -8.245 4.693 -0.876 1.00 0.00 C ATOM 802 CD2 LEU A 51 -9.294 6.369 -2.417 1.00 0.00 C ATOM 0 H LEU A 51 -6.001 4.402 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.230 6.129 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.379 4.539 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.454 6.155 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.818 4.318 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.233 4.476 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.624 3.799 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.784 5.494 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.268 6.129 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.844 7.189 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.418 6.666 -3.458 1.00 0.00 H new ATOM 814 N ASN A 52 -5.220 7.431 -4.716 1.00 0.00 N ATOM 815 CA ASN A 52 -4.508 8.685 -4.869 1.00 0.00 C ATOM 816 C ASN A 52 -4.992 9.388 -6.133 1.00 0.00 C ATOM 817 O ASN A 52 -5.218 10.592 -6.130 1.00 0.00 O ATOM 818 CB ASN A 52 -3.001 8.407 -4.907 1.00 0.00 C ATOM 819 CG ASN A 52 -2.363 8.857 -6.216 1.00 0.00 C ATOM 820 OD1 ASN A 52 -2.074 8.038 -7.086 1.00 0.00 O ATOM 821 ND2 ASN A 52 -2.130 10.118 -6.405 1.00 0.00 N ATOM 0 H ASN A 52 -4.639 6.599 -4.813 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.705 9.346 -4.025 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.518 8.919 -4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.827 7.340 -4.768 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.706 10.433 -7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.371 10.795 -5.681 1.00 0.00 H new ATOM 828 N ASP A 53 -5.169 8.610 -7.202 1.00 0.00 N ATOM 829 CA ASP A 53 -5.656 9.152 -8.462 1.00 0.00 C ATOM 830 C ASP A 53 -7.021 9.770 -8.235 1.00 0.00 C ATOM 831 O ASP A 53 -7.335 10.843 -8.752 1.00 0.00 O ATOM 832 CB ASP A 53 -5.750 8.048 -9.524 1.00 0.00 C ATOM 833 CG ASP A 53 -6.239 8.635 -10.848 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.409 9.112 -11.606 1.00 0.00 O ATOM 835 OD2 ASP A 53 -7.437 8.610 -11.080 1.00 0.00 O ATOM 0 H ASP A 53 -4.982 7.607 -7.216 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.960 9.910 -8.821 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.775 7.581 -9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.433 7.267 -9.189 1.00 0.00 H new ATOM 840 N ALA A 54 -7.807 9.080 -7.421 1.00 0.00 N ATOM 841 CA ALA A 54 -9.133 9.535 -7.061 1.00 0.00 C ATOM 842 C ALA A 54 -9.025 10.812 -6.233 1.00 0.00 C ATOM 843 O ALA A 54 -9.852 11.716 -6.360 1.00 0.00 O ATOM 844 CB ALA A 54 -9.861 8.451 -6.262 1.00 0.00 C ATOM 0 H ALA A 54 -7.540 8.192 -6.995 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.701 9.741 -7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.858 8.803 -5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.944 7.548 -6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.300 8.230 -5.354 1.00 0.00 H new ATOM 850 N GLN A 55 -7.975 10.882 -5.401 1.00 0.00 N ATOM 851 CA GLN A 55 -7.741 12.062 -4.570 1.00 0.00 C ATOM 852 C GLN A 55 -6.990 13.132 -5.360 1.00 0.00 C ATOM 853 O GLN A 55 -6.816 14.260 -4.891 1.00 0.00 O ATOM 854 CB GLN A 55 -6.960 11.671 -3.309 1.00 0.00 C ATOM 855 CG GLN A 55 -7.958 11.368 -2.184 1.00 0.00 C ATOM 856 CD GLN A 55 -7.250 11.350 -0.836 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.485 12.214 0.006 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.387 10.414 -0.587 1.00 0.00 N ATOM 0 H GLN A 55 -7.283 10.141 -5.289 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.703 12.476 -4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.337 10.799 -3.506 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.292 12.480 -3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.747 12.120 -2.177 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.436 10.405 -2.363 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.194 9.698 -1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.901 10.394 0.310 1.00 0.00 H new ATOM 867 N ALA A 56 -6.560 12.765 -6.567 1.00 0.00 N ATOM 868 CA ALA A 56 -5.836 13.683 -7.444 1.00 0.00 C ATOM 869 C ALA A 56 -6.804 14.591 -8.183 1.00 0.00 C ATOM 870 O ALA A 56 -8.004 14.314 -8.252 1.00 0.00 O ATOM 871 CB ALA A 56 -4.993 12.901 -8.457 1.00 0.00 C ATOM 0 H ALA A 56 -6.702 11.835 -6.960 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.178 14.294 -6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.460 13.599 -9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.274 12.276 -7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.644 12.271 -9.063 1.00 0.00 H new ATOM 877 N PRO A 57 -6.299 15.667 -8.734 1.00 0.00 N ATOM 878 CA PRO A 57 -7.127 16.641 -9.480 1.00 0.00 C ATOM 879 C PRO A 57 -7.572 16.084 -10.824 1.00 0.00 C ATOM 880 O PRO A 57 -6.912 15.215 -11.400 1.00 0.00 O ATOM 881 CB PRO A 57 -6.228 17.865 -9.657 1.00 0.00 C ATOM 882 CG PRO A 57 -4.919 17.555 -9.015 1.00 0.00 C ATOM 883 CD PRO A 57 -4.885 16.066 -8.717 1.00 0.00 C ATOM 0 HA PRO A 57 -8.047 16.882 -8.947 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.092 18.092 -10.715 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.682 18.744 -9.198 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.096 17.831 -9.674 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.799 18.130 -8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.308 15.522 -9.465 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.425 15.863 -7.750 1.00 0.00 H new ATOM 891 N LYS A 58 -8.703 16.586 -11.301 1.00 0.00 N ATOM 892 CA LYS A 58 -9.273 16.141 -12.574 1.00 0.00 C ATOM 893 C LYS A 58 -9.940 17.310 -13.302 1.00 0.00 C ATOM 894 O LYS A 58 -10.622 18.084 -12.646 1.00 0.00 O ATOM 895 CB LYS A 58 -10.306 15.034 -12.316 1.00 0.00 C ATOM 896 CG LYS A 58 -9.624 13.834 -11.644 1.00 0.00 C ATOM 897 CD LYS A 58 -10.643 12.711 -11.423 1.00 0.00 C ATOM 898 CE LYS A 58 -9.998 11.579 -10.613 1.00 0.00 C ATOM 899 NZ LYS A 58 -9.744 12.045 -9.219 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.763 17.415 -14.505 1.00 0.00 O ATOM 0 H LYS A 58 -9.249 17.305 -10.826 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.470 15.753 -13.201 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.107 15.412 -11.680 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.764 14.725 -13.256 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.804 13.475 -12.266 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.192 14.137 -10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.515 13.097 -10.896 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.993 12.331 -12.383 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.652 10.707 -10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.063 11.270 -11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.747 11.878 -8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.952 13.062 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.355 11.521 -8.561 1.00 0.00 H new TER 914 LYS A 58