USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 765 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 HIS : no HD1:sc= -0.314 X(o=-0.32,f=-0.62) USER MOD Set 1.2: A 103 GLN : amide:sc=-0.00186 X(o=-0.32,f=-0.31) USER MOD Set 2.1: A 13 ASN :FLIP amide:sc= -1.4 F(o=-7.8!,f=-2) USER MOD Set 2.2: A 15 LYS NZ :NH3+ 156:sc= -0.635 (180deg=-0.41) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.486 F(o=-4.5!,f=-0.49) USER MOD Single : A 9 THR OG1 : rot -43:sc= 0.503 USER MOD Single : A 11 ASN : amide:sc= -3.91! C(o=-3.9!,f=-26!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -2.4! C(o=-8.7!,f=-2.4!) USER MOD Single : A 25 GLN :FLIP amide:sc= -1.83! C(o=-4.7!,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 49:sc= -0.202 USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.661) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -4.56! X(o=-4.6!,f=-4.1) USER MOD Single : A 42 LYS NZ :NH3+ -106:sc= -0.709 (180deg=-2.5!) USER MOD Single : A 44 THR OG1 : rot 176:sc= -0.594! USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= -0.0525 (180deg=-0.397) USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.137) USER MOD Single : A 52 SER OG : rot 180:sc= -1.37 USER MOD Single : A 55 SER OG : rot -67:sc= -0.377! USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -2.67! C(o=-6.9!,f=-2.7!) USER MOD Single : A 77 LYS NZ :NH3+ -124:sc= -1.08 (180deg=-2.72!) USER MOD Single : A 80 ASN : amide:sc= -0.0133 K(o=-0.013,f=-1.9!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= -0.244 (180deg=-1.43!) USER MOD Single : A 88 GLN :FLIP amide:sc= -2.95! C(o=-6.7!,f=-2.9!) USER MOD Single : A 93 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.048) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.71 K(o=-1.7,f=-4!) USER MOD Single : A 104 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.133) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -22.930 -10.086 17.441 1.00 0.00 N ATOM 2 CA ALA A 1 -22.669 -11.503 17.047 1.00 0.00 C ATOM 3 C ALA A 1 -22.849 -11.665 15.534 1.00 0.00 C ATOM 4 O ALA A 1 -23.671 -12.433 15.074 1.00 0.00 O ATOM 5 CB ALA A 1 -23.648 -12.422 17.778 1.00 0.00 C ATOM 0 H1 ALA A 1 -22.806 -9.983 18.468 1.00 0.00 H new ATOM 0 H2 ALA A 1 -22.262 -9.460 16.947 1.00 0.00 H new ATOM 0 H3 ALA A 1 -23.903 -9.827 17.182 1.00 0.00 H new ATOM 0 HA ALA A 1 -21.647 -11.768 17.316 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -23.459 -13.457 17.492 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -23.515 -12.313 18.854 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.670 -12.152 17.510 1.00 0.00 H new ATOM 13 N ASP A 2 -22.075 -10.946 14.757 1.00 0.00 N ATOM 14 CA ASP A 2 -22.180 -11.042 13.273 1.00 0.00 C ATOM 15 C ASP A 2 -21.239 -12.140 12.764 1.00 0.00 C ATOM 16 O ASP A 2 -20.034 -11.984 12.762 1.00 0.00 O ATOM 17 CB ASP A 2 -21.784 -9.689 12.660 1.00 0.00 C ATOM 18 CG ASP A 2 -22.727 -8.609 13.191 1.00 0.00 C ATOM 19 OD1 ASP A 2 -23.364 -8.858 14.201 1.00 0.00 O ATOM 20 OD2 ASP A 2 -22.799 -7.553 12.584 1.00 0.00 O ATOM 0 H ASP A 2 -21.369 -10.291 15.094 1.00 0.00 H new ATOM 0 HA ASP A 2 -23.202 -11.290 12.986 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -20.752 -9.447 12.915 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -21.840 -9.737 11.573 1.00 0.00 H new ATOM 25 N LEU A 3 -21.778 -13.254 12.336 1.00 0.00 N ATOM 26 CA LEU A 3 -20.917 -14.360 11.828 1.00 0.00 C ATOM 27 C LEU A 3 -20.738 -14.213 10.304 1.00 0.00 C ATOM 28 O LEU A 3 -20.068 -15.007 9.678 1.00 0.00 O ATOM 29 CB LEU A 3 -21.581 -15.719 12.152 1.00 0.00 C ATOM 30 CG LEU A 3 -23.122 -15.597 12.079 1.00 0.00 C ATOM 31 CD1 LEU A 3 -23.736 -16.937 11.662 1.00 0.00 C ATOM 32 CD2 LEU A 3 -23.715 -15.183 13.437 1.00 0.00 C ATOM 0 H LEU A 3 -22.780 -13.443 12.317 1.00 0.00 H new ATOM 0 HA LEU A 3 -19.940 -14.315 12.309 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -21.236 -16.477 11.448 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -21.283 -16.049 13.147 1.00 0.00 H new ATOM 0 HG LEU A 3 -23.357 -14.829 11.342 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -24.821 -16.841 11.614 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -23.353 -17.224 10.683 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -23.472 -17.701 12.393 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -24.799 -15.106 13.352 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -23.462 -15.931 14.188 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -23.305 -14.218 13.734 1.00 0.00 H new ATOM 44 N GLU A 4 -21.332 -13.211 9.701 1.00 0.00 N ATOM 45 CA GLU A 4 -21.189 -13.039 8.223 1.00 0.00 C ATOM 46 C GLU A 4 -19.819 -12.415 7.918 1.00 0.00 C ATOM 47 O GLU A 4 -18.891 -13.095 7.517 1.00 0.00 O ATOM 48 CB GLU A 4 -22.324 -12.124 7.685 1.00 0.00 C ATOM 49 CG GLU A 4 -22.822 -11.184 8.796 1.00 0.00 C ATOM 50 CD GLU A 4 -23.680 -10.066 8.191 1.00 0.00 C ATOM 51 OE1 GLU A 4 -24.471 -10.361 7.310 1.00 0.00 O ATOM 52 OE2 GLU A 4 -23.532 -8.933 8.621 1.00 0.00 O ATOM 0 H GLU A 4 -21.907 -12.509 10.167 1.00 0.00 H new ATOM 0 HA GLU A 4 -21.262 -14.010 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -21.960 -11.539 6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -23.149 -12.734 7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -23.405 -11.746 9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -21.973 -10.755 9.328 1.00 0.00 H new ATOM 59 N ASP A 5 -19.693 -11.127 8.089 1.00 0.00 N ATOM 60 CA ASP A 5 -18.400 -10.453 7.797 1.00 0.00 C ATOM 61 C ASP A 5 -17.404 -10.678 8.938 1.00 0.00 C ATOM 62 O ASP A 5 -17.619 -10.261 10.057 1.00 0.00 O ATOM 63 CB ASP A 5 -18.642 -8.944 7.626 1.00 0.00 C ATOM 64 CG ASP A 5 -19.519 -8.412 8.771 1.00 0.00 C ATOM 65 OD1 ASP A 5 -19.983 -9.213 9.565 1.00 0.00 O ATOM 66 OD2 ASP A 5 -19.709 -7.204 8.834 1.00 0.00 O ATOM 0 H ASP A 5 -20.435 -10.511 8.420 1.00 0.00 H new ATOM 0 HA ASP A 5 -17.985 -10.873 6.881 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -17.689 -8.415 7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -19.126 -8.753 6.668 1.00 0.00 H new ATOM 71 N ASN A 6 -16.301 -11.324 8.650 1.00 0.00 N ATOM 72 CA ASN A 6 -15.266 -11.572 9.695 1.00 0.00 C ATOM 73 C ASN A 6 -13.885 -11.478 9.053 1.00 0.00 C ATOM 74 O ASN A 6 -13.616 -10.597 8.260 1.00 0.00 O ATOM 75 CB ASN A 6 -15.460 -12.963 10.303 1.00 0.00 C ATOM 76 CG ASN A 6 -16.875 -13.083 10.876 1.00 0.00 C ATOM 77 OD1 ASN A 6 -17.830 -13.566 10.129 1.00 0.00 O flip ATOM 78 ND2 ASN A 6 -17.116 -12.718 12.010 1.00 0.00 N flip ATOM 0 H ASN A 6 -16.074 -11.692 7.726 1.00 0.00 H new ATOM 0 HA ASN A 6 -15.358 -10.828 10.486 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -15.299 -13.728 9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -14.724 -13.133 11.088 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -16.370 -12.341 12.594 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -18.065 -12.789 12.378 1.00 0.00 H new ATOM 85 N ASP A 7 -13.007 -12.374 9.397 1.00 0.00 N ATOM 86 CA ASP A 7 -11.630 -12.343 8.816 1.00 0.00 C ATOM 87 C ASP A 7 -11.139 -13.779 8.593 1.00 0.00 C ATOM 88 O ASP A 7 -9.954 -14.035 8.585 1.00 0.00 O ATOM 89 CB ASP A 7 -10.681 -11.624 9.786 1.00 0.00 C ATOM 90 CG ASP A 7 -11.147 -10.182 9.970 1.00 0.00 C ATOM 91 OD1 ASP A 7 -12.036 -9.964 10.774 1.00 0.00 O ATOM 92 OD2 ASP A 7 -10.609 -9.318 9.297 1.00 0.00 O ATOM 0 H ASP A 7 -13.180 -13.131 10.058 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.648 -11.812 7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.665 -12.139 10.747 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.663 -11.643 9.398 1.00 0.00 H new ATOM 97 N GLU A 8 -12.038 -14.715 8.414 1.00 0.00 N ATOM 98 CA GLU A 8 -11.615 -16.134 8.197 1.00 0.00 C ATOM 99 C GLU A 8 -10.570 -16.535 9.243 1.00 0.00 C ATOM 100 O GLU A 8 -9.798 -17.453 9.043 1.00 0.00 O ATOM 101 CB GLU A 8 -11.024 -16.287 6.796 1.00 0.00 C ATOM 102 CG GLU A 8 -11.992 -15.721 5.756 1.00 0.00 C ATOM 103 CD GLU A 8 -13.286 -16.532 5.754 1.00 0.00 C ATOM 104 OE1 GLU A 8 -13.260 -17.654 6.221 1.00 0.00 O ATOM 105 OE2 GLU A 8 -14.281 -16.012 5.276 1.00 0.00 O ATOM 0 H GLU A 8 -13.046 -14.558 8.409 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.485 -16.783 8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.068 -15.766 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.828 -17.339 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.208 -14.676 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.534 -15.748 4.767 1.00 0.00 H new ATOM 112 N THR A 9 -10.552 -15.869 10.371 1.00 0.00 N ATOM 113 CA THR A 9 -9.572 -16.221 11.452 1.00 0.00 C ATOM 114 C THR A 9 -10.276 -17.094 12.493 1.00 0.00 C ATOM 115 O THR A 9 -9.848 -17.203 13.627 1.00 0.00 O ATOM 116 CB THR A 9 -9.042 -14.941 12.112 1.00 0.00 C ATOM 117 OG1 THR A 9 -7.982 -15.267 13.005 1.00 0.00 O ATOM 118 CG2 THR A 9 -10.165 -14.247 12.884 1.00 0.00 C ATOM 0 H THR A 9 -11.176 -15.093 10.593 1.00 0.00 H new ATOM 0 HA THR A 9 -8.731 -16.767 11.024 1.00 0.00 H new ATOM 0 HB THR A 9 -8.672 -14.269 11.338 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.222 -16.065 13.520 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.780 -13.340 13.349 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.972 -13.989 12.199 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.544 -14.917 13.655 1.00 0.00 H new ATOM 126 N GLY A 10 -11.355 -17.716 12.107 1.00 0.00 N ATOM 127 CA GLY A 10 -12.108 -18.598 13.045 1.00 0.00 C ATOM 128 C GLY A 10 -12.859 -19.649 12.227 1.00 0.00 C ATOM 129 O GLY A 10 -13.851 -20.194 12.664 1.00 0.00 O ATOM 0 H GLY A 10 -11.753 -17.650 11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.424 -19.080 13.743 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.807 -18.010 13.639 1.00 0.00 H new ATOM 133 N ASN A 11 -12.402 -19.921 11.026 1.00 0.00 N ATOM 134 CA ASN A 11 -13.099 -20.909 10.155 1.00 0.00 C ATOM 135 C ASN A 11 -12.638 -22.334 10.497 1.00 0.00 C ATOM 136 O ASN A 11 -12.429 -22.655 11.646 1.00 0.00 O ATOM 137 CB ASN A 11 -12.772 -20.573 8.699 1.00 0.00 C ATOM 138 CG ASN A 11 -11.306 -20.907 8.420 1.00 0.00 C ATOM 139 OD1 ASN A 11 -10.584 -21.279 9.320 1.00 0.00 O ATOM 140 ND2 ASN A 11 -10.829 -20.786 7.214 1.00 0.00 N ATOM 0 H ASN A 11 -11.571 -19.496 10.614 1.00 0.00 H new ATOM 0 HA ASN A 11 -14.176 -20.860 10.314 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.420 -21.139 8.029 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.959 -19.517 8.507 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.850 -21.004 7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.434 -20.473 6.455 1.00 0.00 H new ATOM 147 N ASP A 12 -12.482 -23.191 9.509 1.00 0.00 N ATOM 148 CA ASP A 12 -12.045 -24.605 9.786 1.00 0.00 C ATOM 149 C ASP A 12 -10.579 -24.804 9.365 1.00 0.00 C ATOM 150 O ASP A 12 -10.053 -25.900 9.423 1.00 0.00 O ATOM 151 CB ASP A 12 -12.931 -25.583 8.996 1.00 0.00 C ATOM 152 CG ASP A 12 -14.317 -25.684 9.638 1.00 0.00 C ATOM 153 OD1 ASP A 12 -14.386 -25.832 10.848 1.00 0.00 O ATOM 154 OD2 ASP A 12 -15.290 -25.622 8.901 1.00 0.00 O ATOM 0 H ASP A 12 -12.638 -22.974 8.525 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.140 -24.796 10.855 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.025 -25.246 7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.463 -26.567 8.969 1.00 0.00 H new ATOM 159 N ASN A 13 -9.914 -23.765 8.933 1.00 0.00 N ATOM 160 CA ASN A 13 -8.492 -23.919 8.496 1.00 0.00 C ATOM 161 C ASN A 13 -7.766 -22.572 8.614 1.00 0.00 C ATOM 162 O ASN A 13 -6.752 -22.336 7.987 1.00 0.00 O ATOM 163 CB ASN A 13 -8.475 -24.396 7.034 1.00 0.00 C ATOM 164 CG ASN A 13 -8.414 -25.932 6.974 1.00 0.00 C ATOM 165 OD1 ASN A 13 -7.257 -26.534 6.893 1.00 0.00 O flip ATOM 166 ND2 ASN A 13 -9.438 -26.591 6.990 1.00 0.00 N flip ATOM 0 H ASN A 13 -10.291 -22.820 8.863 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.985 -24.648 9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -9.367 -24.040 6.518 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.616 -23.971 6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.343 -26.125 7.053 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.390 -27.609 6.940 1.00 0.00 H new ATOM 173 N GLY A 14 -8.277 -21.688 9.416 1.00 0.00 N ATOM 174 CA GLY A 14 -7.623 -20.358 9.587 1.00 0.00 C ATOM 175 C GLY A 14 -6.553 -20.465 10.669 1.00 0.00 C ATOM 176 O GLY A 14 -6.228 -19.504 11.336 1.00 0.00 O ATOM 0 H GLY A 14 -9.125 -21.826 9.966 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.176 -20.035 8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.363 -19.607 9.863 1.00 0.00 H new ATOM 180 N LYS A 15 -5.998 -21.636 10.847 1.00 0.00 N ATOM 181 CA LYS A 15 -4.942 -21.797 11.888 1.00 0.00 C ATOM 182 C LYS A 15 -3.587 -21.359 11.312 1.00 0.00 C ATOM 183 O LYS A 15 -2.594 -21.358 12.005 1.00 0.00 O ATOM 184 CB LYS A 15 -4.854 -23.270 12.352 1.00 0.00 C ATOM 185 CG LYS A 15 -5.178 -24.230 11.196 1.00 0.00 C ATOM 186 CD LYS A 15 -4.233 -23.978 10.004 1.00 0.00 C ATOM 187 CE LYS A 15 -4.166 -25.218 9.109 1.00 0.00 C ATOM 188 NZ LYS A 15 -5.545 -25.634 8.757 1.00 0.00 N ATOM 0 H LYS A 15 -6.228 -22.480 10.322 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.199 -21.176 12.746 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.853 -23.477 12.732 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.548 -23.438 13.175 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.080 -25.262 11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.213 -24.095 10.882 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.585 -23.123 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.236 -23.729 10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.596 -25.000 8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.649 -26.027 9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.528 -26.179 7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.935 -26.225 9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.141 -24.791 8.634 1.00 0.00 H new ATOM 202 N GLY A 16 -3.538 -20.991 10.050 1.00 0.00 N ATOM 203 CA GLY A 16 -2.238 -20.559 9.442 1.00 0.00 C ATOM 204 C GLY A 16 -2.135 -19.046 9.499 1.00 0.00 C ATOM 205 O GLY A 16 -1.068 -18.482 9.364 1.00 0.00 O ATOM 0 H GLY A 16 -4.339 -20.972 9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.404 -21.012 9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.175 -20.900 8.409 1.00 0.00 H new ATOM 209 N GLY A 17 -3.228 -18.377 9.690 1.00 0.00 N ATOM 210 CA GLY A 17 -3.164 -16.900 9.745 1.00 0.00 C ATOM 211 C GLY A 17 -2.753 -16.382 8.368 1.00 0.00 C ATOM 212 O GLY A 17 -1.666 -15.872 8.183 1.00 0.00 O ATOM 0 H GLY A 17 -4.156 -18.784 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.132 -16.489 10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.446 -16.580 10.500 1.00 0.00 H new ATOM 216 N GLU A 18 -3.616 -16.520 7.396 1.00 0.00 N ATOM 217 CA GLU A 18 -3.280 -16.044 6.022 1.00 0.00 C ATOM 218 C GLU A 18 -2.016 -16.769 5.520 1.00 0.00 C ATOM 219 O GLU A 18 -1.386 -16.353 4.570 1.00 0.00 O ATOM 220 CB GLU A 18 -3.038 -14.524 6.070 1.00 0.00 C ATOM 221 CG GLU A 18 -3.338 -13.883 4.708 1.00 0.00 C ATOM 222 CD GLU A 18 -4.836 -13.954 4.424 1.00 0.00 C ATOM 223 OE1 GLU A 18 -5.578 -14.268 5.339 1.00 0.00 O ATOM 224 OE2 GLU A 18 -5.216 -13.689 3.298 1.00 0.00 O ATOM 0 H GLU A 18 -4.539 -16.942 7.494 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.101 -16.260 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.670 -14.074 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.004 -14.324 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.006 -12.845 4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.785 -14.398 3.923 1.00 0.00 H new ATOM 231 N LYS A 19 -1.645 -17.845 6.161 1.00 0.00 N ATOM 232 CA LYS A 19 -0.425 -18.599 5.744 1.00 0.00 C ATOM 233 C LYS A 19 0.736 -17.644 5.520 1.00 0.00 C ATOM 234 O LYS A 19 0.857 -16.994 4.501 1.00 0.00 O ATOM 235 CB LYS A 19 -0.704 -19.400 4.466 1.00 0.00 C ATOM 236 CG LYS A 19 0.618 -19.802 3.724 1.00 0.00 C ATOM 237 CD LYS A 19 0.506 -21.239 3.197 1.00 0.00 C ATOM 238 CE LYS A 19 -0.588 -21.307 2.127 1.00 0.00 C ATOM 239 NZ LYS A 19 -0.528 -22.624 1.431 1.00 0.00 N ATOM 0 H LYS A 19 -2.139 -18.238 6.963 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.158 -19.293 6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.266 -20.299 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.330 -18.809 3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.804 -19.116 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.466 -19.720 4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.460 -21.559 2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.272 -21.920 4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.568 -21.171 2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.458 -20.498 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.272 -22.667 0.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.403 -22.736 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.673 -23.388 2.121 1.00 0.00 H new ATOM 253 N ALA A 20 1.620 -17.624 6.452 1.00 0.00 N ATOM 254 CA ALA A 20 2.835 -16.792 6.317 1.00 0.00 C ATOM 255 C ALA A 20 3.946 -17.686 5.789 1.00 0.00 C ATOM 256 O ALA A 20 4.684 -18.274 6.553 1.00 0.00 O ATOM 257 CB ALA A 20 3.236 -16.239 7.685 1.00 0.00 C ATOM 0 H ALA A 20 1.557 -18.156 7.320 1.00 0.00 H new ATOM 0 HA ALA A 20 2.654 -15.957 5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.132 -15.626 7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.424 -15.630 8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.438 -17.065 8.366 1.00 0.00 H new ATOM 263 N ASP A 21 4.068 -17.839 4.492 1.00 0.00 N ATOM 264 CA ASP A 21 5.128 -18.736 3.967 1.00 0.00 C ATOM 265 C ASP A 21 5.623 -18.291 2.585 1.00 0.00 C ATOM 266 O ASP A 21 6.817 -18.239 2.365 1.00 0.00 O ATOM 267 CB ASP A 21 4.565 -20.138 3.859 1.00 0.00 C ATOM 268 CG ASP A 21 5.716 -21.117 3.625 1.00 0.00 C ATOM 269 OD1 ASP A 21 6.130 -21.247 2.484 1.00 0.00 O ATOM 270 OD2 ASP A 21 6.179 -21.705 4.590 1.00 0.00 O ATOM 0 H ASP A 21 3.485 -17.386 3.788 1.00 0.00 H new ATOM 0 HA ASP A 21 5.974 -18.701 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.027 -20.399 4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.849 -20.195 3.039 1.00 0.00 H new ATOM 275 N ASN A 22 4.766 -17.991 1.632 1.00 0.00 N ATOM 276 CA ASN A 22 5.318 -17.590 0.300 1.00 0.00 C ATOM 277 C ASN A 22 4.304 -16.816 -0.579 1.00 0.00 C ATOM 278 O ASN A 22 4.452 -15.636 -0.821 1.00 0.00 O ATOM 279 CB ASN A 22 5.790 -18.884 -0.436 1.00 0.00 C ATOM 280 CG ASN A 22 7.293 -18.850 -0.702 1.00 0.00 C ATOM 281 OD1 ASN A 22 7.747 -18.078 -1.649 1.00 0.00 O flip ATOM 282 ND2 ASN A 22 8.058 -19.531 -0.045 1.00 0.00 N flip ATOM 0 H ASN A 22 3.749 -18.005 1.714 1.00 0.00 H new ATOM 0 HA ASN A 22 6.147 -16.904 0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.544 -19.759 0.166 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.253 -18.986 -1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.697 -20.133 0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.060 -19.499 -0.234 1.00 0.00 H new ATOM 289 N ALA A 23 3.340 -17.500 -1.140 1.00 0.00 N ATOM 290 CA ALA A 23 2.385 -16.836 -2.095 1.00 0.00 C ATOM 291 C ALA A 23 1.194 -16.171 -1.403 1.00 0.00 C ATOM 292 O ALA A 23 0.733 -15.134 -1.829 1.00 0.00 O ATOM 293 CB ALA A 23 1.871 -17.886 -3.094 1.00 0.00 C ATOM 0 H ALA A 23 3.168 -18.493 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 23 2.936 -16.042 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.178 -17.416 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.712 -18.306 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.358 -18.682 -2.554 1.00 0.00 H new ATOM 299 N ALA A 24 0.661 -16.756 -0.385 1.00 0.00 N ATOM 300 CA ALA A 24 -0.533 -16.134 0.258 1.00 0.00 C ATOM 301 C ALA A 24 -0.178 -14.769 0.855 1.00 0.00 C ATOM 302 O ALA A 24 -0.760 -13.757 0.514 1.00 0.00 O ATOM 303 CB ALA A 24 -1.043 -17.059 1.354 1.00 0.00 C ATOM 0 H ALA A 24 0.987 -17.627 0.034 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.307 -15.986 -0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.916 -16.612 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.318 -18.020 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.260 -17.208 2.098 1.00 0.00 H new ATOM 309 N GLN A 25 0.756 -14.744 1.750 1.00 0.00 N ATOM 310 CA GLN A 25 1.160 -13.470 2.399 1.00 0.00 C ATOM 311 C GLN A 25 1.659 -12.475 1.358 1.00 0.00 C ATOM 312 O GLN A 25 1.633 -11.282 1.568 1.00 0.00 O ATOM 313 CB GLN A 25 2.250 -13.803 3.426 1.00 0.00 C ATOM 314 CG GLN A 25 3.663 -13.784 2.808 1.00 0.00 C ATOM 315 CD GLN A 25 4.226 -12.357 2.853 1.00 0.00 C ATOM 316 OE1 GLN A 25 4.502 -11.739 1.737 1.00 0.00 O flip ATOM 317 NE2 GLN A 25 4.424 -11.806 3.918 1.00 0.00 N flip ATOM 0 H GLN A 25 1.269 -15.566 2.068 1.00 0.00 H new ATOM 0 HA GLN A 25 0.311 -13.003 2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.205 -13.086 4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.056 -14.787 3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.319 -14.462 3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.625 -14.138 1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.208 -12.289 4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.806 -10.860 3.940 1.00 0.00 H new ATOM 326 N VAL A 26 2.115 -12.960 0.243 1.00 0.00 N ATOM 327 CA VAL A 26 2.624 -12.044 -0.803 1.00 0.00 C ATOM 328 C VAL A 26 1.446 -11.293 -1.427 1.00 0.00 C ATOM 329 O VAL A 26 1.499 -10.097 -1.580 1.00 0.00 O ATOM 330 CB VAL A 26 3.423 -12.857 -1.856 1.00 0.00 C ATOM 331 CG1 VAL A 26 3.383 -12.201 -3.254 1.00 0.00 C ATOM 332 CG2 VAL A 26 4.886 -12.966 -1.408 1.00 0.00 C ATOM 0 H VAL A 26 2.157 -13.953 0.012 1.00 0.00 H new ATOM 0 HA VAL A 26 3.302 -11.306 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 26 2.960 -13.841 -1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.956 -12.806 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.350 -12.131 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.815 -11.202 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.451 -13.537 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.314 -11.968 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.934 -13.471 -0.443 1.00 0.00 H new ATOM 342 N LYS A 27 0.370 -11.966 -1.766 1.00 0.00 N ATOM 343 CA LYS A 27 -0.788 -11.235 -2.370 1.00 0.00 C ATOM 344 C LYS A 27 -1.323 -10.218 -1.355 1.00 0.00 C ATOM 345 O LYS A 27 -1.458 -9.051 -1.657 1.00 0.00 O ATOM 346 CB LYS A 27 -1.912 -12.221 -2.740 1.00 0.00 C ATOM 347 CG LYS A 27 -1.617 -12.878 -4.096 1.00 0.00 C ATOM 348 CD LYS A 27 -2.523 -14.105 -4.265 1.00 0.00 C ATOM 349 CE LYS A 27 -2.241 -14.799 -5.600 1.00 0.00 C ATOM 350 NZ LYS A 27 -3.399 -15.672 -5.953 1.00 0.00 N ATOM 0 H LYS A 27 0.245 -12.972 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.454 -10.726 -3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.003 -12.986 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.867 -11.696 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.791 -12.168 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.569 -13.173 -4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.358 -14.802 -3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.569 -13.801 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.078 -14.057 -6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.330 -15.394 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.213 -16.146 -6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.534 -16.387 -5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.258 -15.092 -6.036 1.00 0.00 H new ATOM 364 N ASP A 28 -1.634 -10.640 -0.157 1.00 0.00 N ATOM 365 CA ASP A 28 -2.166 -9.669 0.841 1.00 0.00 C ATOM 366 C ASP A 28 -1.174 -8.519 1.028 1.00 0.00 C ATOM 367 O ASP A 28 -1.553 -7.413 1.347 1.00 0.00 O ATOM 368 CB ASP A 28 -2.369 -10.361 2.188 1.00 0.00 C ATOM 369 CG ASP A 28 -2.892 -9.341 3.201 1.00 0.00 C ATOM 370 OD1 ASP A 28 -3.486 -8.366 2.776 1.00 0.00 O ATOM 371 OD2 ASP A 28 -2.680 -9.549 4.385 1.00 0.00 O ATOM 0 H ASP A 28 -1.544 -11.602 0.169 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.118 -9.284 0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.075 -11.185 2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.429 -10.789 2.536 1.00 0.00 H new ATOM 376 N ALA A 29 0.090 -8.767 0.828 1.00 0.00 N ATOM 377 CA ALA A 29 1.092 -7.684 0.990 1.00 0.00 C ATOM 378 C ALA A 29 0.845 -6.628 -0.076 1.00 0.00 C ATOM 379 O ALA A 29 0.794 -5.446 0.201 1.00 0.00 O ATOM 380 CB ALA A 29 2.502 -8.268 0.837 1.00 0.00 C ATOM 0 H ALA A 29 0.470 -9.674 0.559 1.00 0.00 H new ATOM 0 HA ALA A 29 1.003 -7.232 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.239 -7.474 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.664 -9.031 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.606 -8.715 -0.152 1.00 0.00 H new ATOM 386 N LEU A 30 0.699 -7.047 -1.297 1.00 0.00 N ATOM 387 CA LEU A 30 0.467 -6.083 -2.387 1.00 0.00 C ATOM 388 C LEU A 30 -0.800 -5.266 -2.115 1.00 0.00 C ATOM 389 O LEU A 30 -0.794 -4.052 -2.184 1.00 0.00 O ATOM 390 CB LEU A 30 0.331 -6.856 -3.694 1.00 0.00 C ATOM 391 CG LEU A 30 1.558 -7.747 -3.886 1.00 0.00 C ATOM 392 CD1 LEU A 30 1.357 -8.612 -5.138 1.00 0.00 C ATOM 393 CD2 LEU A 30 2.815 -6.875 -4.032 1.00 0.00 C ATOM 0 H LEU A 30 0.732 -8.025 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 30 1.305 -5.389 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.574 -7.463 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.236 -6.164 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 30 1.686 -8.395 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.228 -9.251 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.469 -9.232 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.231 -7.968 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.687 -7.514 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.705 -6.221 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.945 -6.271 -3.134 1.00 0.00 H new ATOM 405 N THR A 31 -1.887 -5.926 -1.809 1.00 0.00 N ATOM 406 CA THR A 31 -3.164 -5.202 -1.532 1.00 0.00 C ATOM 407 C THR A 31 -3.013 -4.350 -0.269 1.00 0.00 C ATOM 408 O THR A 31 -3.647 -3.327 -0.120 1.00 0.00 O ATOM 409 CB THR A 31 -4.292 -6.226 -1.317 1.00 0.00 C ATOM 410 OG1 THR A 31 -3.740 -7.419 -0.777 1.00 0.00 O ATOM 411 CG2 THR A 31 -4.989 -6.536 -2.644 1.00 0.00 C ATOM 0 H THR A 31 -1.945 -6.942 -1.739 1.00 0.00 H new ATOM 0 HA THR A 31 -3.403 -4.558 -2.378 1.00 0.00 H new ATOM 0 HB THR A 31 -5.026 -5.811 -0.626 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.162 -7.197 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.785 -7.262 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.414 -5.620 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.265 -6.947 -3.348 1.00 0.00 H new ATOM 419 N LYS A 32 -2.201 -4.789 0.650 1.00 0.00 N ATOM 420 CA LYS A 32 -2.026 -4.024 1.916 1.00 0.00 C ATOM 421 C LYS A 32 -1.499 -2.634 1.592 1.00 0.00 C ATOM 422 O LYS A 32 -2.039 -1.638 2.033 1.00 0.00 O ATOM 423 CB LYS A 32 -1.035 -4.760 2.819 1.00 0.00 C ATOM 424 CG LYS A 32 -0.878 -4.020 4.173 1.00 0.00 C ATOM 425 CD LYS A 32 0.287 -3.007 4.122 1.00 0.00 C ATOM 426 CE LYS A 32 0.784 -2.728 5.536 1.00 0.00 C ATOM 427 NZ LYS A 32 -0.384 -2.513 6.427 1.00 0.00 N ATOM 0 H LYS A 32 -1.650 -5.645 0.580 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.982 -3.935 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.381 -5.779 2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.067 -4.832 2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.805 -3.501 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.700 -4.744 4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.099 -3.402 3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.044 -2.081 3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.383 -3.564 5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.428 -1.849 5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.094 -1.944 7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.131 -2.013 5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.745 -3.432 6.753 1.00 0.00 H new ATOM 441 N MET A 33 -0.445 -2.555 0.822 1.00 0.00 N ATOM 442 CA MET A 33 0.120 -1.218 0.464 1.00 0.00 C ATOM 443 C MET A 33 -0.943 -0.397 -0.276 1.00 0.00 C ATOM 444 O MET A 33 -1.016 0.807 -0.140 1.00 0.00 O ATOM 445 CB MET A 33 1.356 -1.385 -0.443 1.00 0.00 C ATOM 446 CG MET A 33 2.395 -2.283 0.239 1.00 0.00 C ATOM 447 SD MET A 33 4.009 -2.073 -0.564 1.00 0.00 S ATOM 448 CE MET A 33 4.733 -3.657 -0.060 1.00 0.00 C ATOM 0 H MET A 33 0.048 -3.355 0.426 1.00 0.00 H new ATOM 0 HA MET A 33 0.417 -0.704 1.378 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.060 -1.819 -1.398 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.793 -0.410 -0.658 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.469 -2.031 1.297 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.082 -3.326 0.181 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.746 -3.736 -0.455 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.763 -3.714 1.028 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.127 -4.475 -0.450 1.00 0.00 H new ATOM 458 N ARG A 34 -1.768 -1.030 -1.063 1.00 0.00 N ATOM 459 CA ARG A 34 -2.815 -0.262 -1.801 1.00 0.00 C ATOM 460 C ARG A 34 -3.712 0.489 -0.801 1.00 0.00 C ATOM 461 O ARG A 34 -3.949 1.672 -0.929 1.00 0.00 O ATOM 462 CB ARG A 34 -3.651 -1.238 -2.665 1.00 0.00 C ATOM 463 CG ARG A 34 -5.039 -0.653 -2.981 1.00 0.00 C ATOM 464 CD ARG A 34 -5.775 -1.554 -3.972 1.00 0.00 C ATOM 465 NE ARG A 34 -7.011 -0.856 -4.441 1.00 0.00 N ATOM 466 CZ ARG A 34 -7.913 -1.513 -5.112 1.00 0.00 C ATOM 467 NH1 ARG A 34 -7.707 -2.774 -5.392 1.00 0.00 N ATOM 468 NH2 ARG A 34 -9.005 -0.912 -5.526 1.00 0.00 N ATOM 0 H ARG A 34 -1.765 -2.037 -1.228 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.344 0.471 -2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.122 -1.449 -3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.764 -2.187 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.620 -0.558 -2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.934 0.349 -3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.130 -1.787 -4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.034 -2.501 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.148 0.134 -4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.848 -3.231 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.405 -3.301 -5.917 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.151 0.077 -5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.707 -1.434 -6.051 1.00 0.00 H new ATOM 482 N ALA A 35 -4.241 -0.200 0.171 1.00 0.00 N ATOM 483 CA ALA A 35 -5.156 0.462 1.150 1.00 0.00 C ATOM 484 C ALA A 35 -4.436 1.581 1.899 1.00 0.00 C ATOM 485 O ALA A 35 -5.038 2.557 2.308 1.00 0.00 O ATOM 486 CB ALA A 35 -5.634 -0.575 2.164 1.00 0.00 C ATOM 0 H ALA A 35 -4.081 -1.194 0.332 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.998 0.887 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.302 -0.100 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.166 -1.373 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.775 -0.993 2.689 1.00 0.00 H new ATOM 492 N ALA A 36 -3.164 1.435 2.101 1.00 0.00 N ATOM 493 CA ALA A 36 -2.401 2.470 2.848 1.00 0.00 C ATOM 494 C ALA A 36 -2.489 3.818 2.129 1.00 0.00 C ATOM 495 O ALA A 36 -2.787 4.834 2.725 1.00 0.00 O ATOM 496 CB ALA A 36 -0.944 2.034 2.928 1.00 0.00 C ATOM 0 H ALA A 36 -2.613 0.639 1.780 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.821 2.580 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.370 2.783 3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.878 1.078 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.540 1.929 1.921 1.00 0.00 H new ATOM 502 N ALA A 37 -2.226 3.836 0.850 1.00 0.00 N ATOM 503 CA ALA A 37 -2.288 5.119 0.095 1.00 0.00 C ATOM 504 C ALA A 37 -3.715 5.661 0.177 1.00 0.00 C ATOM 505 O ALA A 37 -3.935 6.832 0.430 1.00 0.00 O ATOM 506 CB ALA A 37 -1.888 4.872 -1.377 1.00 0.00 C ATOM 0 H ALA A 37 -1.971 3.018 0.296 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.598 5.846 0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.934 5.811 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.873 4.477 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.575 4.154 -1.825 1.00 0.00 H new ATOM 512 N LEU A 38 -4.690 4.816 -0.024 1.00 0.00 N ATOM 513 CA LEU A 38 -6.099 5.287 0.055 1.00 0.00 C ATOM 514 C LEU A 38 -6.388 5.708 1.491 1.00 0.00 C ATOM 515 O LEU A 38 -6.995 6.727 1.741 1.00 0.00 O ATOM 516 CB LEU A 38 -7.066 4.166 -0.353 1.00 0.00 C ATOM 517 CG LEU A 38 -6.663 3.579 -1.711 1.00 0.00 C ATOM 518 CD1 LEU A 38 -7.638 2.452 -2.087 1.00 0.00 C ATOM 519 CD2 LEU A 38 -6.697 4.683 -2.782 1.00 0.00 C ATOM 0 H LEU A 38 -4.571 3.826 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.238 6.127 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.064 3.382 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.083 4.555 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.652 3.175 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.354 2.032 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.602 1.671 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.650 2.852 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.410 4.263 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.705 5.093 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.000 5.476 -2.510 1.00 0.00 H new ATOM 531 N ASP A 39 -5.963 4.932 2.443 1.00 0.00 N ATOM 532 CA ASP A 39 -6.229 5.307 3.859 1.00 0.00 C ATOM 533 C ASP A 39 -5.581 6.665 4.160 1.00 0.00 C ATOM 534 O ASP A 39 -6.133 7.476 4.874 1.00 0.00 O ATOM 535 CB ASP A 39 -5.659 4.244 4.806 1.00 0.00 C ATOM 536 CG ASP A 39 -6.304 4.381 6.190 1.00 0.00 C ATOM 537 OD1 ASP A 39 -7.420 3.907 6.352 1.00 0.00 O ATOM 538 OD2 ASP A 39 -5.674 4.956 7.062 1.00 0.00 O ATOM 0 H ASP A 39 -5.448 4.062 2.307 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.306 5.374 4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.846 3.248 4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.578 4.357 4.886 1.00 0.00 H new ATOM 543 N ALA A 40 -4.409 6.914 3.624 1.00 0.00 N ATOM 544 CA ALA A 40 -3.716 8.217 3.880 1.00 0.00 C ATOM 545 C ALA A 40 -4.464 9.353 3.166 1.00 0.00 C ATOM 546 O ALA A 40 -4.294 10.517 3.481 1.00 0.00 O ATOM 547 CB ALA A 40 -2.270 8.143 3.355 1.00 0.00 C ATOM 0 H ALA A 40 -3.902 6.269 3.019 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.704 8.413 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.766 9.091 3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.737 7.342 3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.282 7.943 2.284 1.00 0.00 H new ATOM 553 N GLN A 41 -5.279 9.028 2.201 1.00 0.00 N ATOM 554 CA GLN A 41 -6.016 10.082 1.467 1.00 0.00 C ATOM 555 C GLN A 41 -7.054 10.708 2.395 1.00 0.00 C ATOM 556 O GLN A 41 -6.894 10.758 3.600 1.00 0.00 O ATOM 557 CB GLN A 41 -6.661 9.463 0.183 1.00 0.00 C ATOM 558 CG GLN A 41 -8.098 8.921 0.430 1.00 0.00 C ATOM 559 CD GLN A 41 -8.358 7.663 -0.406 1.00 0.00 C ATOM 560 OE1 GLN A 41 -7.930 7.565 -1.540 1.00 0.00 O ATOM 561 NE2 GLN A 41 -9.054 6.698 0.117 1.00 0.00 N ATOM 0 H GLN A 41 -5.464 8.074 1.892 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.340 10.875 1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.693 10.218 -0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.030 8.652 -0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.228 8.693 1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.829 9.689 0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.411 6.784 1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.243 5.854 -0.424 1.00 0.00 H new ATOM 570 N LYS A 42 -8.109 11.170 1.821 1.00 0.00 N ATOM 571 CA LYS A 42 -9.215 11.795 2.593 1.00 0.00 C ATOM 572 C LYS A 42 -9.889 10.718 3.455 1.00 0.00 C ATOM 573 O LYS A 42 -11.086 10.520 3.393 1.00 0.00 O ATOM 574 CB LYS A 42 -10.231 12.385 1.590 1.00 0.00 C ATOM 575 CG LYS A 42 -9.497 12.865 0.323 1.00 0.00 C ATOM 576 CD LYS A 42 -10.372 13.846 -0.480 1.00 0.00 C ATOM 577 CE LYS A 42 -11.725 13.208 -0.842 1.00 0.00 C ATOM 578 NZ LYS A 42 -12.695 13.431 0.270 1.00 0.00 N ATOM 0 H LYS A 42 -8.264 11.143 0.813 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.838 12.586 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.975 11.633 1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.767 13.217 2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.561 13.350 0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.239 12.008 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.537 14.752 0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.851 14.143 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.108 13.642 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.599 12.140 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.837 12.542 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.322 14.155 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.604 13.752 -0.121 1.00 0.00 H new ATOM 592 N ALA A 43 -9.123 10.022 4.258 1.00 0.00 N ATOM 593 CA ALA A 43 -9.711 8.953 5.133 1.00 0.00 C ATOM 594 C ALA A 43 -8.992 8.957 6.484 1.00 0.00 C ATOM 595 O ALA A 43 -9.615 9.000 7.528 1.00 0.00 O ATOM 596 CB ALA A 43 -9.559 7.588 4.456 1.00 0.00 C ATOM 0 H ALA A 43 -8.115 10.146 4.348 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.772 9.148 5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.987 6.815 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.080 7.597 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.502 7.379 4.292 1.00 0.00 H new ATOM 602 N THR A 44 -7.685 8.956 6.473 1.00 0.00 N ATOM 603 CA THR A 44 -6.902 9.001 7.742 1.00 0.00 C ATOM 604 C THR A 44 -5.845 10.097 7.588 1.00 0.00 C ATOM 605 O THR A 44 -4.668 9.879 7.785 1.00 0.00 O ATOM 606 CB THR A 44 -6.228 7.649 7.967 1.00 0.00 C ATOM 607 OG1 THR A 44 -7.188 6.619 7.788 1.00 0.00 O ATOM 608 CG2 THR A 44 -5.669 7.586 9.390 1.00 0.00 C ATOM 0 H THR A 44 -7.119 8.925 5.625 1.00 0.00 H new ATOM 0 HA THR A 44 -7.546 9.212 8.595 1.00 0.00 H new ATOM 0 HB THR A 44 -5.412 7.521 7.255 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.750 5.746 7.868 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.188 6.621 9.550 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.938 8.383 9.530 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.482 7.709 10.106 1.00 0.00 H new ATOM 616 N PRO A 45 -6.292 11.282 7.249 1.00 0.00 N ATOM 617 CA PRO A 45 -5.431 12.473 7.054 1.00 0.00 C ATOM 618 C PRO A 45 -4.161 12.485 7.921 1.00 0.00 C ATOM 619 O PRO A 45 -4.177 12.946 9.045 1.00 0.00 O ATOM 620 CB PRO A 45 -6.361 13.607 7.476 1.00 0.00 C ATOM 621 CG PRO A 45 -7.732 13.168 7.050 1.00 0.00 C ATOM 622 CD PRO A 45 -7.706 11.630 6.999 1.00 0.00 C ATOM 0 HA PRO A 45 -5.049 12.528 6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.317 13.773 8.552 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.081 14.545 6.997 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.487 13.519 7.753 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.986 13.584 6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.362 11.196 7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.042 11.258 6.031 1.00 0.00 H new ATOM 630 N PRO A 46 -3.055 12.013 7.394 1.00 0.00 N ATOM 631 CA PRO A 46 -1.770 12.012 8.133 1.00 0.00 C ATOM 632 C PRO A 46 -1.098 13.398 8.069 1.00 0.00 C ATOM 633 O PRO A 46 -1.152 14.161 9.012 1.00 0.00 O ATOM 634 CB PRO A 46 -0.936 10.918 7.434 1.00 0.00 C ATOM 635 CG PRO A 46 -1.571 10.682 6.083 1.00 0.00 C ATOM 636 CD PRO A 46 -2.917 11.438 6.047 1.00 0.00 C ATOM 0 HA PRO A 46 -1.887 11.808 9.197 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.101 11.234 7.324 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.929 10.001 8.023 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.915 11.035 5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.728 9.616 5.917 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.915 12.215 5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.743 10.766 5.816 1.00 0.00 H new ATOM 644 N LYS A 47 -0.499 13.746 6.956 1.00 0.00 N ATOM 645 CA LYS A 47 0.131 15.100 6.831 1.00 0.00 C ATOM 646 C LYS A 47 -0.956 16.087 6.408 1.00 0.00 C ATOM 647 O LYS A 47 -0.761 17.286 6.391 1.00 0.00 O ATOM 648 CB LYS A 47 1.245 15.085 5.774 1.00 0.00 C ATOM 649 CG LYS A 47 2.273 14.002 6.123 1.00 0.00 C ATOM 650 CD LYS A 47 3.367 13.951 5.045 1.00 0.00 C ATOM 651 CE LYS A 47 4.603 13.236 5.599 1.00 0.00 C ATOM 652 NZ LYS A 47 5.286 14.123 6.580 1.00 0.00 N ATOM 0 H LYS A 47 -0.419 13.153 6.130 1.00 0.00 H new ATOM 0 HA LYS A 47 0.571 15.389 7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.822 14.894 4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.730 16.060 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.718 14.211 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.781 13.033 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.998 13.429 4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.629 14.961 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.312 12.301 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.284 12.980 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.288 13.855 6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.214 15.111 6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.834 14.024 7.511 1.00 0.00 H new ATOM 666 N LEU A 48 -2.108 15.582 6.064 1.00 0.00 N ATOM 667 CA LEU A 48 -3.222 16.469 5.646 1.00 0.00 C ATOM 668 C LEU A 48 -3.898 17.025 6.899 1.00 0.00 C ATOM 669 O LEU A 48 -4.728 16.382 7.510 1.00 0.00 O ATOM 670 CB LEU A 48 -4.236 15.657 4.802 1.00 0.00 C ATOM 671 CG LEU A 48 -4.290 16.181 3.354 1.00 0.00 C ATOM 672 CD1 LEU A 48 -4.984 15.143 2.467 1.00 0.00 C ATOM 673 CD2 LEU A 48 -5.077 17.502 3.327 1.00 0.00 C ATOM 0 H LEU A 48 -2.324 14.585 6.055 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.845 17.293 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.954 14.604 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.226 15.722 5.254 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.280 16.353 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.024 15.510 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.425 14.208 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.997 14.972 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.120 17.879 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.089 17.330 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.581 18.234 3.964 1.00 0.00 H new ATOM 685 N GLU A 49 -3.538 18.211 7.283 1.00 0.00 N ATOM 686 CA GLU A 49 -4.143 18.828 8.499 1.00 0.00 C ATOM 687 C GLU A 49 -4.253 20.345 8.298 1.00 0.00 C ATOM 688 O GLU A 49 -4.763 21.061 9.135 1.00 0.00 O ATOM 689 CB GLU A 49 -3.254 18.519 9.712 1.00 0.00 C ATOM 690 CG GLU A 49 -4.073 18.685 10.992 1.00 0.00 C ATOM 691 CD GLU A 49 -3.146 18.687 12.207 1.00 0.00 C ATOM 692 OE1 GLU A 49 -1.966 18.950 12.033 1.00 0.00 O ATOM 693 OE2 GLU A 49 -3.633 18.433 13.297 1.00 0.00 O ATOM 0 H GLU A 49 -2.845 18.788 6.806 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.139 18.420 8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.866 17.503 9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.394 19.188 9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.639 19.616 10.954 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.798 17.875 11.078 1.00 0.00 H new ATOM 700 N ASP A 50 -3.781 20.836 7.185 1.00 0.00 N ATOM 701 CA ASP A 50 -3.856 22.299 6.910 1.00 0.00 C ATOM 702 C ASP A 50 -3.332 22.547 5.490 1.00 0.00 C ATOM 703 O ASP A 50 -2.374 23.263 5.279 1.00 0.00 O ATOM 704 CB ASP A 50 -2.989 23.066 7.930 1.00 0.00 C ATOM 705 CG ASP A 50 -3.841 23.494 9.128 1.00 0.00 C ATOM 706 OD1 ASP A 50 -4.731 24.308 8.937 1.00 0.00 O ATOM 707 OD2 ASP A 50 -3.585 23.003 10.214 1.00 0.00 O ATOM 0 H ASP A 50 -3.343 20.282 6.449 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.885 22.647 6.997 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.166 22.436 8.266 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.547 23.943 7.457 1.00 0.00 H new ATOM 712 N LYS A 51 -3.942 21.946 4.511 1.00 0.00 N ATOM 713 CA LYS A 51 -3.469 22.125 3.116 1.00 0.00 C ATOM 714 C LYS A 51 -4.651 22.046 2.162 1.00 0.00 C ATOM 715 O LYS A 51 -4.933 22.981 1.436 1.00 0.00 O ATOM 716 CB LYS A 51 -2.465 21.008 2.790 1.00 0.00 C ATOM 717 CG LYS A 51 -1.129 21.262 3.511 1.00 0.00 C ATOM 718 CD LYS A 51 -0.056 20.273 3.010 1.00 0.00 C ATOM 719 CE LYS A 51 1.344 20.812 3.346 1.00 0.00 C ATOM 720 NZ LYS A 51 1.483 20.933 4.820 1.00 0.00 N ATOM 0 H LYS A 51 -4.752 21.336 4.619 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.990 23.098 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.872 20.044 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.301 20.960 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.801 22.286 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.262 21.151 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.202 19.298 3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.153 20.131 1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.108 20.143 2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.495 21.783 2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.485 21.066 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.934 21.750 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.127 20.068 5.274 1.00 0.00 H new ATOM 734 N SER A 52 -5.353 20.950 2.127 1.00 0.00 N ATOM 735 CA SER A 52 -6.490 20.881 1.177 1.00 0.00 C ATOM 736 C SER A 52 -5.929 21.190 -0.219 1.00 0.00 C ATOM 737 O SER A 52 -4.734 21.343 -0.378 1.00 0.00 O ATOM 738 CB SER A 52 -7.538 21.924 1.601 1.00 0.00 C ATOM 739 OG SER A 52 -8.829 21.333 1.574 1.00 0.00 O ATOM 0 H SER A 52 -5.194 20.121 2.699 1.00 0.00 H new ATOM 0 HA SER A 52 -6.967 19.901 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.316 22.293 2.602 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.505 22.783 0.930 1.00 0.00 H new ATOM 0 HG SER A 52 -9.498 21.996 1.846 1.00 0.00 H new ATOM 745 N PRO A 53 -6.768 21.278 -1.211 1.00 0.00 N ATOM 746 CA PRO A 53 -6.330 21.568 -2.608 1.00 0.00 C ATOM 747 C PRO A 53 -5.687 22.958 -2.710 1.00 0.00 C ATOM 748 O PRO A 53 -5.955 23.725 -3.613 1.00 0.00 O ATOM 749 CB PRO A 53 -7.631 21.475 -3.433 1.00 0.00 C ATOM 750 CG PRO A 53 -8.601 20.749 -2.549 1.00 0.00 C ATOM 751 CD PRO A 53 -8.224 21.114 -1.125 1.00 0.00 C ATOM 0 HA PRO A 53 -5.567 20.876 -2.964 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.003 22.465 -3.697 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.469 20.936 -4.367 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.627 21.045 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.540 19.672 -2.705 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.716 22.030 -0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.503 20.332 -0.419 1.00 0.00 H new ATOM 759 N ASP A 54 -4.842 23.281 -1.768 1.00 0.00 N ATOM 760 CA ASP A 54 -4.175 24.611 -1.759 1.00 0.00 C ATOM 761 C ASP A 54 -2.750 24.487 -2.297 1.00 0.00 C ATOM 762 O ASP A 54 -1.994 25.438 -2.308 1.00 0.00 O ATOM 763 CB ASP A 54 -4.137 25.119 -0.317 1.00 0.00 C ATOM 764 CG ASP A 54 -3.594 26.548 -0.295 1.00 0.00 C ATOM 765 OD1 ASP A 54 -4.011 27.330 -1.134 1.00 0.00 O ATOM 766 OD2 ASP A 54 -2.767 26.838 0.555 1.00 0.00 O ATOM 0 H ASP A 54 -4.583 22.669 -0.994 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.726 25.307 -2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.137 25.092 0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.508 24.470 0.292 1.00 0.00 H new ATOM 771 N SER A 55 -2.367 23.324 -2.743 1.00 0.00 N ATOM 772 CA SER A 55 -0.982 23.157 -3.273 1.00 0.00 C ATOM 773 C SER A 55 -0.874 21.786 -3.977 1.00 0.00 C ATOM 774 O SER A 55 -1.875 21.124 -4.164 1.00 0.00 O ATOM 775 CB SER A 55 0.017 23.269 -2.104 1.00 0.00 C ATOM 776 OG SER A 55 -0.595 23.956 -1.021 1.00 0.00 O ATOM 0 H SER A 55 -2.947 22.486 -2.764 1.00 0.00 H new ATOM 0 HA SER A 55 -0.749 23.935 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.334 22.276 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.912 23.801 -2.426 1.00 0.00 H new ATOM 0 HG SER A 55 -0.758 24.888 -1.275 1.00 0.00 H new ATOM 782 N PRO A 56 0.305 21.342 -4.382 1.00 0.00 N ATOM 783 CA PRO A 56 0.441 20.027 -5.081 1.00 0.00 C ATOM 784 C PRO A 56 -0.217 18.884 -4.299 1.00 0.00 C ATOM 785 O PRO A 56 -0.217 17.749 -4.732 1.00 0.00 O ATOM 786 CB PRO A 56 1.961 19.811 -5.170 1.00 0.00 C ATOM 787 CG PRO A 56 2.536 21.187 -5.154 1.00 0.00 C ATOM 788 CD PRO A 56 1.621 22.008 -4.242 1.00 0.00 C ATOM 0 HA PRO A 56 -0.054 20.034 -6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.327 19.218 -4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.233 19.278 -6.081 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.559 21.179 -4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.569 21.609 -6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.969 21.996 -3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.577 23.052 -4.552 1.00 0.00 H new ATOM 796 N GLU A 57 -0.771 19.171 -3.148 1.00 0.00 N ATOM 797 CA GLU A 57 -1.422 18.090 -2.341 1.00 0.00 C ATOM 798 C GLU A 57 -2.335 17.261 -3.245 1.00 0.00 C ATOM 799 O GLU A 57 -2.231 16.053 -3.307 1.00 0.00 O ATOM 800 CB GLU A 57 -2.262 18.708 -1.203 1.00 0.00 C ATOM 801 CG GLU A 57 -3.161 17.643 -0.557 1.00 0.00 C ATOM 802 CD GLU A 57 -2.332 16.392 -0.257 1.00 0.00 C ATOM 803 OE1 GLU A 57 -1.343 16.516 0.446 1.00 0.00 O ATOM 804 OE2 GLU A 57 -2.687 15.337 -0.752 1.00 0.00 O ATOM 0 H GLU A 57 -0.802 20.102 -2.732 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.648 17.455 -1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.603 19.141 -0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.874 19.520 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.600 18.031 0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.986 17.394 -1.224 1.00 0.00 H new ATOM 811 N MET A 58 -3.236 17.902 -3.942 1.00 0.00 N ATOM 812 CA MET A 58 -4.153 17.134 -4.836 1.00 0.00 C ATOM 813 C MET A 58 -3.317 16.362 -5.867 1.00 0.00 C ATOM 814 O MET A 58 -3.570 15.205 -6.139 1.00 0.00 O ATOM 815 CB MET A 58 -5.116 18.087 -5.567 1.00 0.00 C ATOM 816 CG MET A 58 -5.996 17.288 -6.544 1.00 0.00 C ATOM 817 SD MET A 58 -7.257 18.372 -7.269 1.00 0.00 S ATOM 818 CE MET A 58 -8.510 18.199 -5.976 1.00 0.00 C ATOM 0 H MET A 58 -3.376 18.912 -3.932 1.00 0.00 H new ATOM 0 HA MET A 58 -4.739 16.440 -4.234 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.742 18.611 -4.845 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.551 18.845 -6.109 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.379 16.856 -7.332 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.474 16.459 -6.022 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.384 18.798 -6.233 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.801 17.152 -5.889 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.102 18.543 -5.026 1.00 0.00 H new ATOM 828 N LYS A 59 -2.332 17.001 -6.450 1.00 0.00 N ATOM 829 CA LYS A 59 -1.484 16.319 -7.472 1.00 0.00 C ATOM 830 C LYS A 59 -0.637 15.237 -6.796 1.00 0.00 C ATOM 831 O LYS A 59 -0.679 14.082 -7.175 1.00 0.00 O ATOM 832 CB LYS A 59 -0.570 17.347 -8.155 1.00 0.00 C ATOM 833 CG LYS A 59 -1.404 18.531 -8.688 1.00 0.00 C ATOM 834 CD LYS A 59 -1.988 18.205 -10.079 1.00 0.00 C ATOM 835 CE LYS A 59 -1.010 18.636 -11.185 1.00 0.00 C ATOM 836 NZ LYS A 59 -1.671 18.468 -12.508 1.00 0.00 N ATOM 0 H LYS A 59 -2.079 17.971 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.124 15.856 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.176 17.708 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.029 16.875 -8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.213 18.755 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.780 19.423 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.186 17.136 -10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.942 18.716 -10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.713 19.675 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.101 18.036 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.016 18.757 -13.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.933 17.470 -12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.526 19.059 -12.546 1.00 0.00 H new ATOM 850 N ASP A 60 0.122 15.596 -5.792 1.00 0.00 N ATOM 851 CA ASP A 60 0.954 14.566 -5.096 1.00 0.00 C ATOM 852 C ASP A 60 0.014 13.454 -4.634 1.00 0.00 C ATOM 853 O ASP A 60 0.385 12.303 -4.569 1.00 0.00 O ATOM 854 CB ASP A 60 1.674 15.153 -3.871 1.00 0.00 C ATOM 855 CG ASP A 60 2.656 14.117 -3.327 1.00 0.00 C ATOM 856 OD1 ASP A 60 2.274 12.962 -3.235 1.00 0.00 O ATOM 857 OD2 ASP A 60 3.772 14.496 -3.011 1.00 0.00 O ATOM 0 H ASP A 60 0.202 16.545 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 60 1.715 14.195 -5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.203 16.065 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.950 15.425 -3.103 1.00 0.00 H new ATOM 862 N PHE A 61 -1.214 13.788 -4.334 1.00 0.00 N ATOM 863 CA PHE A 61 -2.175 12.748 -3.907 1.00 0.00 C ATOM 864 C PHE A 61 -2.469 11.894 -5.130 1.00 0.00 C ATOM 865 O PHE A 61 -2.316 10.691 -5.115 1.00 0.00 O ATOM 866 CB PHE A 61 -3.456 13.416 -3.363 1.00 0.00 C ATOM 867 CG PHE A 61 -4.645 12.480 -3.442 1.00 0.00 C ATOM 868 CD1 PHE A 61 -4.486 11.104 -3.223 1.00 0.00 C ATOM 869 CD2 PHE A 61 -5.907 12.999 -3.751 1.00 0.00 C ATOM 870 CE1 PHE A 61 -5.594 10.250 -3.313 1.00 0.00 C ATOM 871 CE2 PHE A 61 -7.010 12.150 -3.845 1.00 0.00 C ATOM 872 CZ PHE A 61 -6.856 10.775 -3.627 1.00 0.00 C ATOM 0 H PHE A 61 -1.586 14.737 -4.368 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.772 12.128 -3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.298 13.719 -2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.666 14.322 -3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.512 10.703 -2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.028 14.059 -3.917 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.476 9.190 -3.141 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.983 12.553 -4.086 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.710 10.118 -3.701 1.00 0.00 H new ATOM 882 N ARG A 62 -2.865 12.519 -6.203 1.00 0.00 N ATOM 883 CA ARG A 62 -3.150 11.753 -7.432 1.00 0.00 C ATOM 884 C ARG A 62 -1.870 11.058 -7.909 1.00 0.00 C ATOM 885 O ARG A 62 -1.824 9.852 -8.041 1.00 0.00 O ATOM 886 CB ARG A 62 -3.668 12.688 -8.535 1.00 0.00 C ATOM 887 CG ARG A 62 -5.074 13.251 -8.165 1.00 0.00 C ATOM 888 CD ARG A 62 -6.041 13.135 -9.354 1.00 0.00 C ATOM 889 NE ARG A 62 -7.176 14.089 -9.179 1.00 0.00 N ATOM 890 CZ ARG A 62 -8.261 13.952 -9.901 1.00 0.00 C ATOM 891 NH1 ARG A 62 -8.362 12.981 -10.773 1.00 0.00 N ATOM 892 NH2 ARG A 62 -9.254 14.784 -9.748 1.00 0.00 N ATOM 0 H ARG A 62 -3.002 13.527 -6.275 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.914 11.007 -7.214 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.968 13.511 -8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.724 12.148 -9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.475 12.706 -7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.985 14.295 -7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.515 13.349 -10.284 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.419 12.115 -9.429 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.107 14.846 -8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.592 12.323 -10.895 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.210 12.882 -11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.185 15.540 -9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.099 14.678 -10.309 1.00 0.00 H new ATOM 906 N HIS A 63 -0.830 11.800 -8.178 1.00 0.00 N ATOM 907 CA HIS A 63 0.428 11.159 -8.653 1.00 0.00 C ATOM 908 C HIS A 63 0.998 10.240 -7.560 1.00 0.00 C ATOM 909 O HIS A 63 1.710 9.302 -7.846 1.00 0.00 O ATOM 910 CB HIS A 63 1.438 12.253 -9.009 1.00 0.00 C ATOM 911 CG HIS A 63 2.591 11.690 -9.800 1.00 0.00 C ATOM 912 ND1 HIS A 63 3.850 12.270 -9.762 1.00 0.00 N ATOM 913 CD2 HIS A 63 2.701 10.615 -10.654 1.00 0.00 C ATOM 914 CE1 HIS A 63 4.656 11.551 -10.565 1.00 0.00 C ATOM 915 NE2 HIS A 63 4.007 10.531 -11.133 1.00 0.00 N ATOM 0 H HIS A 63 -0.797 12.816 -8.090 1.00 0.00 H new ATOM 0 HA HIS A 63 0.222 10.553 -9.535 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.944 13.034 -9.586 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.811 12.718 -8.097 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.898 9.941 -10.913 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.700 11.772 -10.730 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.386 9.839 -11.779 1.00 0.00 H new ATOM 923 N GLY A 64 0.704 10.506 -6.312 1.00 0.00 N ATOM 924 CA GLY A 64 1.250 9.643 -5.210 1.00 0.00 C ATOM 925 C GLY A 64 0.534 8.274 -5.175 1.00 0.00 C ATOM 926 O GLY A 64 1.162 7.234 -5.242 1.00 0.00 O ATOM 0 H GLY A 64 0.113 11.279 -6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.320 9.495 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.125 10.148 -4.252 1.00 0.00 H new ATOM 930 N PHE A 65 -0.771 8.268 -5.060 1.00 0.00 N ATOM 931 CA PHE A 65 -1.523 6.977 -5.014 1.00 0.00 C ATOM 932 C PHE A 65 -1.449 6.298 -6.380 1.00 0.00 C ATOM 933 O PHE A 65 -1.466 5.092 -6.476 1.00 0.00 O ATOM 934 CB PHE A 65 -2.990 7.250 -4.581 1.00 0.00 C ATOM 935 CG PHE A 65 -3.963 7.401 -5.753 1.00 0.00 C ATOM 936 CD1 PHE A 65 -4.329 6.293 -6.527 1.00 0.00 C ATOM 937 CD2 PHE A 65 -4.543 8.648 -6.023 1.00 0.00 C ATOM 938 CE1 PHE A 65 -5.260 6.432 -7.573 1.00 0.00 C ATOM 939 CE2 PHE A 65 -5.474 8.784 -7.058 1.00 0.00 C ATOM 940 CZ PHE A 65 -5.832 7.680 -7.831 1.00 0.00 C ATOM 0 H PHE A 65 -1.350 9.106 -4.996 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.078 6.303 -4.282 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.328 6.434 -3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.018 8.158 -3.979 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.894 5.326 -6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.270 9.508 -5.429 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.531 5.577 -8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.917 9.748 -7.259 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.551 7.790 -8.629 1.00 0.00 H new ATOM 950 N ASP A 66 -1.355 7.069 -7.426 1.00 0.00 N ATOM 951 CA ASP A 66 -1.275 6.483 -8.795 1.00 0.00 C ATOM 952 C ASP A 66 -0.002 5.660 -8.921 1.00 0.00 C ATOM 953 O ASP A 66 0.004 4.571 -9.462 1.00 0.00 O ATOM 954 CB ASP A 66 -1.255 7.591 -9.851 1.00 0.00 C ATOM 955 CG ASP A 66 -1.242 6.945 -11.238 1.00 0.00 C ATOM 956 OD1 ASP A 66 -2.315 6.650 -11.731 1.00 0.00 O ATOM 957 OD2 ASP A 66 -0.163 6.746 -11.779 1.00 0.00 O ATOM 0 H ASP A 66 -1.330 8.088 -7.392 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.149 5.851 -8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.129 8.234 -9.741 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.376 8.223 -9.720 1.00 0.00 H new ATOM 962 N ILE A 67 1.080 6.167 -8.435 1.00 0.00 N ATOM 963 CA ILE A 67 2.346 5.407 -8.527 1.00 0.00 C ATOM 964 C ILE A 67 2.202 4.085 -7.760 1.00 0.00 C ATOM 965 O ILE A 67 2.498 3.026 -8.271 1.00 0.00 O ATOM 966 CB ILE A 67 3.469 6.269 -7.944 1.00 0.00 C ATOM 967 CG1 ILE A 67 3.749 7.415 -8.922 1.00 0.00 C ATOM 968 CG2 ILE A 67 4.734 5.427 -7.753 1.00 0.00 C ATOM 969 CD1 ILE A 67 4.559 8.517 -8.228 1.00 0.00 C ATOM 0 H ILE A 67 1.147 7.076 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 67 2.584 5.170 -9.564 1.00 0.00 H new ATOM 0 HB ILE A 67 3.170 6.665 -6.973 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.297 7.040 -9.786 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.809 7.823 -9.294 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.526 6.050 -7.338 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.524 4.604 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.053 5.027 -8.715 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.752 9.326 -8.933 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.995 8.903 -7.379 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.507 8.107 -7.879 1.00 0.00 H new ATOM 981 N LEU A 68 1.746 4.151 -6.538 1.00 0.00 N ATOM 982 CA LEU A 68 1.566 2.918 -5.702 1.00 0.00 C ATOM 983 C LEU A 68 0.571 1.946 -6.359 1.00 0.00 C ATOM 984 O LEU A 68 0.880 0.803 -6.613 1.00 0.00 O ATOM 985 CB LEU A 68 1.028 3.350 -4.330 1.00 0.00 C ATOM 986 CG LEU A 68 2.173 3.925 -3.479 1.00 0.00 C ATOM 987 CD1 LEU A 68 1.586 4.848 -2.400 1.00 0.00 C ATOM 988 CD2 LEU A 68 2.988 2.780 -2.825 1.00 0.00 C ATOM 0 H LEU A 68 1.485 5.020 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 68 2.522 2.404 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.245 4.098 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.577 2.498 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 68 2.845 4.498 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.393 5.258 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.040 5.662 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.908 4.279 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.794 3.203 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.334 2.187 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.409 2.143 -3.603 1.00 0.00 H new ATOM 1000 N VAL A 69 -0.627 2.381 -6.620 1.00 0.00 N ATOM 1001 CA VAL A 69 -1.623 1.453 -7.246 1.00 0.00 C ATOM 1002 C VAL A 69 -1.082 0.976 -8.600 1.00 0.00 C ATOM 1003 O VAL A 69 -1.328 -0.137 -9.018 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.973 2.170 -7.454 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -3.528 2.655 -6.109 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -2.801 3.352 -8.418 1.00 0.00 C ATOM 0 H VAL A 69 -0.963 3.326 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.780 0.601 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.682 1.465 -7.889 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.481 3.159 -6.269 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.676 1.801 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.822 3.349 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.760 3.850 -8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.082 4.058 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.438 2.988 -9.379 1.00 0.00 H new ATOM 1016 N GLY A 70 -0.354 1.820 -9.290 1.00 0.00 N ATOM 1017 CA GLY A 70 0.202 1.433 -10.620 1.00 0.00 C ATOM 1018 C GLY A 70 1.202 0.276 -10.497 1.00 0.00 C ATOM 1019 O GLY A 70 1.204 -0.620 -11.308 1.00 0.00 O ATOM 0 H GLY A 70 -0.121 2.765 -8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.611 1.143 -11.285 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.694 2.293 -11.074 1.00 0.00 H new ATOM 1023 N GLN A 71 2.063 0.289 -9.503 1.00 0.00 N ATOM 1024 CA GLN A 71 3.065 -0.808 -9.363 1.00 0.00 C ATOM 1025 C GLN A 71 2.484 -1.937 -8.519 1.00 0.00 C ATOM 1026 O GLN A 71 2.819 -3.090 -8.700 1.00 0.00 O ATOM 1027 CB GLN A 71 4.321 -0.262 -8.674 1.00 0.00 C ATOM 1028 CG GLN A 71 3.941 0.359 -7.324 1.00 0.00 C ATOM 1029 CD GLN A 71 5.021 1.330 -6.853 1.00 0.00 C ATOM 1030 OE1 GLN A 71 4.693 2.568 -6.609 1.00 0.00 O flip ATOM 1031 NE2 GLN A 71 6.168 0.963 -6.703 1.00 0.00 N flip ATOM 0 H GLN A 71 2.111 1.013 -8.786 1.00 0.00 H new ATOM 0 HA GLN A 71 3.319 -1.190 -10.352 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.044 -1.064 -8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.799 0.485 -9.307 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.989 0.882 -7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.804 -0.428 -6.582 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.423 -0.006 -6.894 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.877 1.624 -6.385 1.00 0.00 H new ATOM 1040 N ILE A 72 1.612 -1.629 -7.608 1.00 0.00 N ATOM 1041 CA ILE A 72 1.027 -2.708 -6.781 1.00 0.00 C ATOM 1042 C ILE A 72 0.293 -3.661 -7.725 1.00 0.00 C ATOM 1043 O ILE A 72 0.410 -4.868 -7.619 1.00 0.00 O ATOM 1044 CB ILE A 72 0.064 -2.092 -5.758 1.00 0.00 C ATOM 1045 CG1 ILE A 72 0.868 -1.376 -4.662 1.00 0.00 C ATOM 1046 CG2 ILE A 72 -0.791 -3.184 -5.124 1.00 0.00 C ATOM 1047 CD1 ILE A 72 -0.062 -0.476 -3.848 1.00 0.00 C ATOM 0 H ILE A 72 1.282 -0.686 -7.402 1.00 0.00 H new ATOM 0 HA ILE A 72 1.794 -3.254 -6.233 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.584 -1.377 -6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.345 -2.108 -4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.664 -0.782 -5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.472 -2.738 -4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.367 -3.691 -5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.146 -3.905 -4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.510 0.031 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.518 0.265 -4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.842 -1.081 -3.387 1.00 0.00 H new ATOM 1059 N ASP A 73 -0.438 -3.129 -8.668 1.00 0.00 N ATOM 1060 CA ASP A 73 -1.149 -4.019 -9.632 1.00 0.00 C ATOM 1061 C ASP A 73 -0.109 -4.767 -10.466 1.00 0.00 C ATOM 1062 O ASP A 73 -0.229 -5.951 -10.704 1.00 0.00 O ATOM 1063 CB ASP A 73 -2.053 -3.203 -10.574 1.00 0.00 C ATOM 1064 CG ASP A 73 -2.849 -4.170 -11.463 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -3.250 -5.210 -10.960 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -3.040 -3.856 -12.625 1.00 0.00 O ATOM 0 H ASP A 73 -0.573 -2.128 -8.812 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.772 -4.716 -9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.733 -2.577 -9.995 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.450 -2.535 -11.189 1.00 0.00 H new ATOM 1071 N ASP A 74 0.916 -4.085 -10.915 1.00 0.00 N ATOM 1072 CA ASP A 74 1.955 -4.773 -11.729 1.00 0.00 C ATOM 1073 C ASP A 74 2.657 -5.835 -10.884 1.00 0.00 C ATOM 1074 O ASP A 74 3.228 -6.775 -11.396 1.00 0.00 O ATOM 1075 CB ASP A 74 2.985 -3.765 -12.228 1.00 0.00 C ATOM 1076 CG ASP A 74 2.277 -2.497 -12.693 1.00 0.00 C ATOM 1077 OD1 ASP A 74 1.108 -2.588 -13.032 1.00 0.00 O ATOM 1078 OD2 ASP A 74 2.914 -1.458 -12.698 1.00 0.00 O ATOM 0 H ASP A 74 1.074 -3.090 -10.753 1.00 0.00 H new ATOM 0 HA ASP A 74 1.472 -5.247 -12.584 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.692 -3.528 -11.433 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.560 -4.194 -13.048 1.00 0.00 H new ATOM 1083 N ALA A 75 2.648 -5.675 -9.593 1.00 0.00 N ATOM 1084 CA ALA A 75 3.337 -6.665 -8.722 1.00 0.00 C ATOM 1085 C ALA A 75 2.478 -7.924 -8.562 1.00 0.00 C ATOM 1086 O ALA A 75 2.991 -9.012 -8.391 1.00 0.00 O ATOM 1087 CB ALA A 75 3.624 -6.046 -7.353 1.00 0.00 C ATOM 0 H ALA A 75 2.195 -4.904 -9.103 1.00 0.00 H new ATOM 0 HA ALA A 75 4.281 -6.946 -9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.128 -6.777 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.262 -5.171 -7.476 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.686 -5.748 -6.885 1.00 0.00 H new ATOM 1093 N LEU A 76 1.175 -7.785 -8.608 1.00 0.00 N ATOM 1094 CA LEU A 76 0.273 -8.962 -8.454 1.00 0.00 C ATOM 1095 C LEU A 76 0.371 -9.833 -9.700 1.00 0.00 C ATOM 1096 O LEU A 76 0.645 -11.016 -9.625 1.00 0.00 O ATOM 1097 CB LEU A 76 -1.161 -8.449 -8.304 1.00 0.00 C ATOM 1098 CG LEU A 76 -2.125 -9.576 -7.861 1.00 0.00 C ATOM 1099 CD1 LEU A 76 -3.258 -8.964 -7.041 1.00 0.00 C ATOM 1100 CD2 LEU A 76 -2.740 -10.287 -9.078 1.00 0.00 C ATOM 0 H LEU A 76 0.696 -6.895 -8.747 1.00 0.00 H new ATOM 0 HA LEU A 76 0.557 -9.549 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.184 -7.641 -7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.500 -8.031 -9.252 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.561 -10.300 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.943 -9.750 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.845 -8.467 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.796 -8.237 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.413 -11.074 -8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.297 -9.567 -9.677 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.946 -10.725 -9.683 1.00 0.00 H new ATOM 1112 N LYS A 77 0.144 -9.264 -10.854 1.00 0.00 N ATOM 1113 CA LYS A 77 0.219 -10.086 -12.090 1.00 0.00 C ATOM 1114 C LYS A 77 1.598 -10.740 -12.117 1.00 0.00 C ATOM 1115 O LYS A 77 1.746 -11.877 -12.524 1.00 0.00 O ATOM 1116 CB LYS A 77 0.021 -9.207 -13.342 1.00 0.00 C ATOM 1117 CG LYS A 77 0.858 -7.901 -13.229 1.00 0.00 C ATOM 1118 CD LYS A 77 1.620 -7.583 -14.532 1.00 0.00 C ATOM 1119 CE LYS A 77 2.499 -8.772 -14.963 1.00 0.00 C ATOM 1120 NZ LYS A 77 1.784 -9.521 -16.039 1.00 0.00 N ATOM 0 H LYS A 77 -0.087 -8.280 -10.991 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.568 -10.840 -12.092 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.318 -9.760 -14.233 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.035 -8.961 -13.457 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.198 -7.069 -12.984 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.569 -7.997 -12.408 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.910 -7.346 -15.324 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.242 -6.700 -14.387 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.465 -8.418 -15.324 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.697 -9.425 -14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.678 -10.517 -15.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.844 -9.102 -16.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.331 -9.467 -16.922 1.00 0.00 H new ATOM 1134 N LEU A 78 2.602 -10.054 -11.634 1.00 0.00 N ATOM 1135 CA LEU A 78 3.958 -10.669 -11.576 1.00 0.00 C ATOM 1136 C LEU A 78 3.860 -11.877 -10.641 1.00 0.00 C ATOM 1137 O LEU A 78 4.236 -12.966 -10.986 1.00 0.00 O ATOM 1138 CB LEU A 78 4.992 -9.652 -11.045 1.00 0.00 C ATOM 1139 CG LEU A 78 6.413 -9.966 -11.586 1.00 0.00 C ATOM 1140 CD1 LEU A 78 6.773 -11.431 -11.298 1.00 0.00 C ATOM 1141 CD2 LEU A 78 6.491 -9.700 -13.111 1.00 0.00 C ATOM 0 H LEU A 78 2.540 -9.100 -11.279 1.00 0.00 H new ATOM 0 HA LEU A 78 4.288 -10.975 -12.569 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.701 -8.644 -11.342 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.001 -9.673 -9.955 1.00 0.00 H new ATOM 0 HG LEU A 78 7.124 -9.312 -11.081 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.771 -11.642 -11.681 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.752 -11.606 -10.222 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.051 -12.086 -11.786 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.495 -9.927 -13.469 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.770 -10.333 -13.628 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.263 -8.653 -13.310 1.00 0.00 H new ATOM 1153 N ALA A 79 3.329 -11.697 -9.461 1.00 0.00 N ATOM 1154 CA ALA A 79 3.192 -12.859 -8.543 1.00 0.00 C ATOM 1155 C ALA A 79 2.338 -13.912 -9.246 1.00 0.00 C ATOM 1156 O ALA A 79 2.647 -15.085 -9.252 1.00 0.00 O ATOM 1157 CB ALA A 79 2.511 -12.427 -7.244 1.00 0.00 C ATOM 0 H ALA A 79 2.989 -10.806 -9.098 1.00 0.00 H new ATOM 0 HA ALA A 79 4.175 -13.262 -8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.416 -13.286 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.110 -11.657 -6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.521 -12.030 -7.467 1.00 0.00 H new ATOM 1163 N ASN A 80 1.275 -13.480 -9.856 1.00 0.00 N ATOM 1164 CA ASN A 80 0.392 -14.419 -10.598 1.00 0.00 C ATOM 1165 C ASN A 80 1.218 -15.089 -11.716 1.00 0.00 C ATOM 1166 O ASN A 80 1.532 -16.263 -11.662 1.00 0.00 O ATOM 1167 CB ASN A 80 -0.761 -13.601 -11.191 1.00 0.00 C ATOM 1168 CG ASN A 80 -1.941 -14.511 -11.505 1.00 0.00 C ATOM 1169 OD1 ASN A 80 -1.769 -15.686 -11.744 1.00 0.00 O ATOM 1170 ND2 ASN A 80 -3.141 -14.006 -11.509 1.00 0.00 N ATOM 0 H ASN A 80 0.976 -12.505 -9.873 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.009 -15.196 -9.947 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.066 -12.826 -10.488 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.430 -13.096 -12.098 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.944 -14.601 -11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.278 -13.016 -11.307 1.00 0.00 H new ATOM 1177 N GLU A 81 1.569 -14.325 -12.722 1.00 0.00 N ATOM 1178 CA GLU A 81 2.386 -14.845 -13.867 1.00 0.00 C ATOM 1179 C GLU A 81 3.845 -15.089 -13.418 1.00 0.00 C ATOM 1180 O GLU A 81 4.722 -15.293 -14.234 1.00 0.00 O ATOM 1181 CB GLU A 81 2.363 -13.781 -14.980 1.00 0.00 C ATOM 1182 CG GLU A 81 2.744 -14.399 -16.337 1.00 0.00 C ATOM 1183 CD GLU A 81 1.518 -15.061 -16.983 1.00 0.00 C ATOM 1184 OE1 GLU A 81 0.495 -14.406 -17.076 1.00 0.00 O ATOM 1185 OE2 GLU A 81 1.632 -16.211 -17.378 1.00 0.00 O ATOM 0 H GLU A 81 1.318 -13.339 -12.800 1.00 0.00 H new ATOM 0 HA GLU A 81 1.974 -15.789 -14.222 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.370 -13.337 -15.044 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.056 -12.977 -14.734 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.140 -13.628 -16.998 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.534 -15.137 -16.199 1.00 0.00 H new ATOM 1192 N GLY A 82 4.124 -15.049 -12.133 1.00 0.00 N ATOM 1193 CA GLY A 82 5.540 -15.254 -11.662 1.00 0.00 C ATOM 1194 C GLY A 82 5.596 -16.069 -10.362 1.00 0.00 C ATOM 1195 O GLY A 82 4.621 -16.234 -9.659 1.00 0.00 O ATOM 0 H GLY A 82 3.440 -14.885 -11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.110 -15.766 -12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.015 -14.285 -11.505 1.00 0.00 H new ATOM 1199 N LYS A 83 6.763 -16.550 -10.025 1.00 0.00 N ATOM 1200 CA LYS A 83 6.931 -17.316 -8.752 1.00 0.00 C ATOM 1201 C LYS A 83 7.001 -16.283 -7.612 1.00 0.00 C ATOM 1202 O LYS A 83 6.832 -15.107 -7.852 1.00 0.00 O ATOM 1203 CB LYS A 83 8.236 -18.135 -8.833 1.00 0.00 C ATOM 1204 CG LYS A 83 8.194 -19.327 -7.862 1.00 0.00 C ATOM 1205 CD LYS A 83 9.424 -20.213 -8.079 1.00 0.00 C ATOM 1206 CE LYS A 83 9.346 -21.433 -7.155 1.00 0.00 C ATOM 1207 NZ LYS A 83 10.277 -22.476 -7.650 1.00 0.00 N ATOM 0 H LYS A 83 7.613 -16.445 -10.579 1.00 0.00 H new ATOM 0 HA LYS A 83 6.106 -18.007 -8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.382 -18.495 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.087 -17.496 -8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.169 -18.969 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.284 -19.906 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.475 -20.534 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.333 -19.647 -7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.606 -21.150 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.327 -21.820 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.229 -23.308 -7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.008 -22.751 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.247 -22.102 -7.654 1.00 0.00 H new ATOM 1221 N VAL A 84 7.246 -16.680 -6.381 1.00 0.00 N ATOM 1222 CA VAL A 84 7.313 -15.666 -5.280 1.00 0.00 C ATOM 1223 C VAL A 84 8.699 -15.000 -5.291 1.00 0.00 C ATOM 1224 O VAL A 84 8.836 -13.831 -4.986 1.00 0.00 O ATOM 1225 CB VAL A 84 7.050 -16.346 -3.918 1.00 0.00 C ATOM 1226 CG1 VAL A 84 7.600 -15.482 -2.763 1.00 0.00 C ATOM 1227 CG2 VAL A 84 5.543 -16.536 -3.728 1.00 0.00 C ATOM 0 H VAL A 84 7.400 -17.647 -6.096 1.00 0.00 H new ATOM 0 HA VAL A 84 6.549 -14.905 -5.435 1.00 0.00 H new ATOM 0 HB VAL A 84 7.555 -17.312 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.405 -15.978 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.674 -15.348 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.110 -14.509 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.355 -17.016 -2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.048 -15.565 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.151 -17.163 -4.529 1.00 0.00 H new ATOM 1237 N LYS A 85 9.727 -15.725 -5.643 1.00 0.00 N ATOM 1238 CA LYS A 85 11.084 -15.108 -5.678 1.00 0.00 C ATOM 1239 C LYS A 85 11.096 -14.006 -6.742 1.00 0.00 C ATOM 1240 O LYS A 85 11.543 -12.902 -6.506 1.00 0.00 O ATOM 1241 CB LYS A 85 12.138 -16.186 -6.027 1.00 0.00 C ATOM 1242 CG LYS A 85 12.803 -16.735 -4.748 1.00 0.00 C ATOM 1243 CD LYS A 85 14.084 -15.953 -4.446 1.00 0.00 C ATOM 1244 CE LYS A 85 14.537 -16.275 -3.026 1.00 0.00 C ATOM 1245 NZ LYS A 85 13.470 -15.870 -2.067 1.00 0.00 N ATOM 0 H LYS A 85 9.687 -16.710 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 85 11.324 -14.683 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.664 -17.001 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.897 -15.760 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.113 -16.657 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.034 -17.793 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.864 -16.218 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.906 -14.883 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.743 -17.341 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.465 -15.749 -2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.903 -15.584 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.934 -15.071 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.828 -16.671 -1.904 1.00 0.00 H new ATOM 1259 N GLU A 86 10.612 -14.302 -7.913 1.00 0.00 N ATOM 1260 CA GLU A 86 10.590 -13.278 -8.992 1.00 0.00 C ATOM 1261 C GLU A 86 9.662 -12.128 -8.579 1.00 0.00 C ATOM 1262 O GLU A 86 9.916 -10.978 -8.882 1.00 0.00 O ATOM 1263 CB GLU A 86 10.089 -13.902 -10.303 1.00 0.00 C ATOM 1264 CG GLU A 86 10.757 -15.267 -10.531 1.00 0.00 C ATOM 1265 CD GLU A 86 12.262 -15.084 -10.721 1.00 0.00 C ATOM 1266 OE1 GLU A 86 12.645 -14.450 -11.691 1.00 0.00 O ATOM 1267 OE2 GLU A 86 13.007 -15.580 -9.895 1.00 0.00 O ATOM 0 H GLU A 86 10.229 -15.212 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 86 11.600 -12.898 -9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.006 -14.021 -10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.309 -13.237 -11.138 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.566 -15.922 -9.681 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.327 -15.750 -11.408 1.00 0.00 H new ATOM 1274 N ALA A 87 8.584 -12.425 -7.898 1.00 0.00 N ATOM 1275 CA ALA A 87 7.634 -11.346 -7.477 1.00 0.00 C ATOM 1276 C ALA A 87 8.293 -10.406 -6.455 1.00 0.00 C ATOM 1277 O ALA A 87 8.396 -9.211 -6.669 1.00 0.00 O ATOM 1278 CB ALA A 87 6.400 -11.990 -6.839 1.00 0.00 C ATOM 0 H ALA A 87 8.319 -13.368 -7.614 1.00 0.00 H new ATOM 0 HA ALA A 87 7.352 -10.765 -8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.703 -11.212 -6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.915 -12.644 -7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.703 -12.573 -5.969 1.00 0.00 H new ATOM 1284 N GLN A 88 8.706 -10.934 -5.331 1.00 0.00 N ATOM 1285 CA GLN A 88 9.314 -10.057 -4.288 1.00 0.00 C ATOM 1286 C GLN A 88 10.535 -9.338 -4.873 1.00 0.00 C ATOM 1287 O GLN A 88 10.864 -8.240 -4.468 1.00 0.00 O ATOM 1288 CB GLN A 88 9.709 -10.893 -3.062 1.00 0.00 C ATOM 1289 CG GLN A 88 10.946 -11.746 -3.370 1.00 0.00 C ATOM 1290 CD GLN A 88 12.246 -10.941 -3.154 1.00 0.00 C ATOM 1291 OE1 GLN A 88 12.213 -9.713 -2.687 1.00 0.00 O flip ATOM 1292 NE2 GLN A 88 13.323 -11.447 -3.412 1.00 0.00 N flip ATOM 0 H GLN A 88 8.649 -11.924 -5.093 1.00 0.00 H new ATOM 0 HA GLN A 88 8.586 -9.310 -3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.914 -10.236 -2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 88 8.879 -11.537 -2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.951 -12.629 -2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 88 10.900 -12.099 -4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.365 -12.399 -3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.183 -10.919 -3.265 1.00 0.00 H new ATOM 1301 N ALA A 89 11.189 -9.930 -5.845 1.00 0.00 N ATOM 1302 CA ALA A 89 12.368 -9.258 -6.480 1.00 0.00 C ATOM 1303 C ALA A 89 11.901 -7.917 -7.058 1.00 0.00 C ATOM 1304 O ALA A 89 12.555 -6.904 -6.921 1.00 0.00 O ATOM 1305 CB ALA A 89 12.923 -10.150 -7.602 1.00 0.00 C ATOM 0 H ALA A 89 10.958 -10.848 -6.225 1.00 0.00 H new ATOM 0 HA ALA A 89 13.155 -9.092 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.781 -9.662 -8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.232 -11.109 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 89 12.150 -10.313 -8.353 1.00 0.00 H new ATOM 1311 N ALA A 90 10.758 -7.913 -7.698 1.00 0.00 N ATOM 1312 CA ALA A 90 10.208 -6.658 -8.285 1.00 0.00 C ATOM 1313 C ALA A 90 9.953 -5.620 -7.186 1.00 0.00 C ATOM 1314 O ALA A 90 10.017 -4.431 -7.421 1.00 0.00 O ATOM 1315 CB ALA A 90 8.888 -6.977 -8.981 1.00 0.00 C ATOM 0 H ALA A 90 10.177 -8.739 -7.839 1.00 0.00 H new ATOM 0 HA ALA A 90 10.928 -6.252 -8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.476 -6.066 -9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.060 -7.709 -9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.184 -7.385 -8.256 1.00 0.00 H new ATOM 1321 N ALA A 91 9.647 -6.046 -5.991 1.00 0.00 N ATOM 1322 CA ALA A 91 9.388 -5.054 -4.916 1.00 0.00 C ATOM 1323 C ALA A 91 10.693 -4.318 -4.591 1.00 0.00 C ATOM 1324 O ALA A 91 10.720 -3.114 -4.430 1.00 0.00 O ATOM 1325 CB ALA A 91 8.860 -5.783 -3.672 1.00 0.00 C ATOM 0 H ALA A 91 9.566 -7.025 -5.717 1.00 0.00 H new ATOM 0 HA ALA A 91 8.642 -4.329 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.668 -5.059 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.935 -6.303 -3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.602 -6.505 -3.331 1.00 0.00 H new ATOM 1331 N GLU A 92 11.769 -5.043 -4.486 1.00 0.00 N ATOM 1332 CA GLU A 92 13.084 -4.422 -4.156 1.00 0.00 C ATOM 1333 C GLU A 92 13.509 -3.393 -5.208 1.00 0.00 C ATOM 1334 O GLU A 92 13.867 -2.278 -4.879 1.00 0.00 O ATOM 1335 CB GLU A 92 14.128 -5.529 -4.059 1.00 0.00 C ATOM 1336 CG GLU A 92 13.595 -6.621 -3.129 1.00 0.00 C ATOM 1337 CD GLU A 92 14.736 -7.531 -2.677 1.00 0.00 C ATOM 1338 OE1 GLU A 92 15.449 -8.028 -3.531 1.00 0.00 O ATOM 1339 OE2 GLU A 92 14.872 -7.719 -1.478 1.00 0.00 O ATOM 0 H GLU A 92 11.795 -6.054 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 92 12.994 -3.893 -3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.336 -5.941 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.067 -5.131 -3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.116 -6.168 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.834 -7.208 -3.643 1.00 0.00 H new ATOM 1346 N GLN A 93 13.493 -3.732 -6.468 1.00 0.00 N ATOM 1347 CA GLN A 93 13.918 -2.723 -7.475 1.00 0.00 C ATOM 1348 C GLN A 93 12.928 -1.552 -7.414 1.00 0.00 C ATOM 1349 O GLN A 93 13.307 -0.402 -7.499 1.00 0.00 O ATOM 1350 CB GLN A 93 13.967 -3.345 -8.881 1.00 0.00 C ATOM 1351 CG GLN A 93 12.562 -3.747 -9.327 1.00 0.00 C ATOM 1352 CD GLN A 93 12.656 -4.677 -10.542 1.00 0.00 C ATOM 1353 OE1 GLN A 93 12.324 -4.293 -11.649 1.00 0.00 O ATOM 1354 NE2 GLN A 93 13.085 -5.902 -10.374 1.00 0.00 N ATOM 0 H GLN A 93 13.211 -4.641 -6.836 1.00 0.00 H new ATOM 0 HA GLN A 93 14.924 -2.365 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.391 -2.632 -9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.620 -4.218 -8.878 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.040 -4.248 -8.512 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.982 -2.860 -9.579 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.363 -6.222 -9.446 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.142 -6.536 -11.171 1.00 0.00 H new ATOM 1363 N LEU A 94 11.664 -1.841 -7.222 1.00 0.00 N ATOM 1364 CA LEU A 94 10.656 -0.739 -7.109 1.00 0.00 C ATOM 1365 C LEU A 94 10.785 -0.087 -5.733 1.00 0.00 C ATOM 1366 O LEU A 94 10.213 0.951 -5.473 1.00 0.00 O ATOM 1367 CB LEU A 94 9.229 -1.273 -7.207 1.00 0.00 C ATOM 1368 CG LEU A 94 8.941 -1.848 -8.597 1.00 0.00 C ATOM 1369 CD1 LEU A 94 7.644 -2.671 -8.540 1.00 0.00 C ATOM 1370 CD2 LEU A 94 8.794 -0.718 -9.635 1.00 0.00 C ATOM 0 H LEU A 94 11.288 -2.785 -7.139 1.00 0.00 H new ATOM 0 HA LEU A 94 10.845 -0.036 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.076 -2.045 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.523 -0.471 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 94 9.774 -2.484 -8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.432 -3.084 -9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.760 -3.484 -7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.819 -2.029 -8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.590 -1.149 -10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.971 -0.064 -9.347 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.718 -0.141 -9.678 1.00 0.00 H new ATOM 1382 N LYS A 95 11.508 -0.687 -4.836 1.00 0.00 N ATOM 1383 CA LYS A 95 11.630 -0.076 -3.490 1.00 0.00 C ATOM 1384 C LYS A 95 12.440 1.209 -3.627 1.00 0.00 C ATOM 1385 O LYS A 95 12.039 2.267 -3.177 1.00 0.00 O ATOM 1386 CB LYS A 95 12.340 -1.052 -2.534 1.00 0.00 C ATOM 1387 CG LYS A 95 12.337 -0.481 -1.087 1.00 0.00 C ATOM 1388 CD LYS A 95 13.778 -0.283 -0.573 1.00 0.00 C ATOM 1389 CE LYS A 95 13.761 0.306 0.850 1.00 0.00 C ATOM 1390 NZ LYS A 95 15.027 -0.050 1.568 1.00 0.00 N ATOM 0 H LYS A 95 12.014 -1.562 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 95 10.644 0.144 -3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.839 -2.020 -2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.365 -1.217 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.805 0.470 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 95 11.800 -1.160 -0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.306 -1.237 -0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 95 14.322 0.382 -1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 95 13.653 1.390 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 95 12.901 -0.076 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.007 0.351 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.113 -1.085 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.841 0.336 1.048 1.00 0.00 H new ATOM 1404 N THR A 96 13.578 1.121 -4.259 1.00 0.00 N ATOM 1405 CA THR A 96 14.436 2.324 -4.452 1.00 0.00 C ATOM 1406 C THR A 96 13.905 3.189 -5.606 1.00 0.00 C ATOM 1407 O THR A 96 14.167 4.374 -5.662 1.00 0.00 O ATOM 1408 CB THR A 96 15.866 1.861 -4.751 1.00 0.00 C ATOM 1409 OG1 THR A 96 16.694 2.989 -5.005 1.00 0.00 O ATOM 1410 CG2 THR A 96 15.865 0.932 -5.970 1.00 0.00 C ATOM 0 H THR A 96 13.953 0.259 -4.654 1.00 0.00 H new ATOM 0 HA THR A 96 14.423 2.930 -3.546 1.00 0.00 H new ATOM 0 HB THR A 96 16.255 1.319 -3.889 1.00 0.00 H new ATOM 0 HG1 THR A 96 17.607 2.688 -5.194 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.884 0.605 -6.179 1.00 0.00 H new ATOM 0 HG22 THR A 96 15.240 0.063 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 96 15.471 1.466 -6.834 1.00 0.00 H new ATOM 1418 N THR A 97 13.165 2.611 -6.530 1.00 0.00 N ATOM 1419 CA THR A 97 12.623 3.400 -7.676 1.00 0.00 C ATOM 1420 C THR A 97 11.168 3.794 -7.384 1.00 0.00 C ATOM 1421 O THR A 97 10.681 4.797 -7.864 1.00 0.00 O ATOM 1422 CB THR A 97 12.704 2.532 -8.943 1.00 0.00 C ATOM 1423 OG1 THR A 97 14.045 2.503 -9.411 1.00 0.00 O ATOM 1424 CG2 THR A 97 11.797 3.092 -10.041 1.00 0.00 C ATOM 0 H THR A 97 12.916 1.622 -6.534 1.00 0.00 H new ATOM 0 HA THR A 97 13.203 4.311 -7.822 1.00 0.00 H new ATOM 0 HB THR A 97 12.373 1.523 -8.696 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.098 1.949 -10.217 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.869 2.463 -10.928 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.765 3.106 -9.689 1.00 0.00 H new ATOM 0 HG23 THR A 97 12.109 4.106 -10.289 1.00 0.00 H new ATOM 1432 N GLY A 98 10.464 3.021 -6.608 1.00 0.00 N ATOM 1433 CA GLY A 98 9.051 3.376 -6.313 1.00 0.00 C ATOM 1434 C GLY A 98 9.040 4.492 -5.269 1.00 0.00 C ATOM 1435 O GLY A 98 8.042 4.740 -4.625 1.00 0.00 O ATOM 0 H GLY A 98 10.803 2.165 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.545 3.702 -7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.511 2.505 -5.942 1.00 0.00 H new ATOM 1439 N ARG A 99 10.148 5.173 -5.108 1.00 0.00 N ATOM 1440 CA ARG A 99 10.204 6.279 -4.116 1.00 0.00 C ATOM 1441 C ARG A 99 9.844 5.743 -2.729 1.00 0.00 C ATOM 1442 O ARG A 99 9.229 4.703 -2.592 1.00 0.00 O ATOM 1443 CB ARG A 99 9.209 7.372 -4.527 1.00 0.00 C ATOM 1444 CG ARG A 99 9.323 7.647 -6.036 1.00 0.00 C ATOM 1445 CD ARG A 99 10.724 8.168 -6.363 1.00 0.00 C ATOM 1446 NE ARG A 99 11.078 9.279 -5.433 1.00 0.00 N ATOM 1447 CZ ARG A 99 12.318 9.678 -5.349 1.00 0.00 C ATOM 1448 NH1 ARG A 99 13.233 9.103 -6.070 1.00 0.00 N ATOM 1449 NH2 ARG A 99 12.650 10.661 -4.565 1.00 0.00 N ATOM 0 H ARG A 99 11.013 5.007 -5.623 1.00 0.00 H new ATOM 0 HA ARG A 99 11.211 6.696 -4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.193 7.062 -4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.408 8.286 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 99 9.124 6.734 -6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.573 8.378 -6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.452 7.361 -6.275 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.760 8.519 -7.394 1.00 0.00 H new ATOM 0 HE ARG A 99 10.356 9.724 -4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.982 8.341 -6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.203 9.413 -6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.938 11.130 -4.006 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.623 10.963 -4.509 1.00 0.00 H new ATOM 1463 N ALA A 100 10.225 6.450 -1.696 1.00 0.00 N ATOM 1464 CA ALA A 100 9.901 5.999 -0.308 1.00 0.00 C ATOM 1465 C ALA A 100 8.506 6.494 0.061 1.00 0.00 C ATOM 1466 O ALA A 100 7.875 5.984 0.965 1.00 0.00 O ATOM 1467 CB ALA A 100 10.900 6.591 0.682 1.00 0.00 C ATOM 0 H ALA A 100 10.748 7.323 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 100 9.947 4.911 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.655 6.256 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.906 6.261 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 100 10.853 7.679 0.640 1.00 0.00 H new ATOM 1473 N GLY A 101 8.025 7.494 -0.632 1.00 0.00 N ATOM 1474 CA GLY A 101 6.671 8.037 -0.336 1.00 0.00 C ATOM 1475 C GLY A 101 6.213 8.903 -1.514 1.00 0.00 C ATOM 1476 O GLY A 101 5.622 8.418 -2.457 1.00 0.00 O ATOM 0 H GLY A 101 8.518 7.959 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.966 7.222 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.694 8.628 0.579 1.00 0.00 H new ATOM 1480 N ASN A 102 6.489 10.186 -1.485 1.00 0.00 N ATOM 1481 CA ASN A 102 6.078 11.068 -2.611 1.00 0.00 C ATOM 1482 C ASN A 102 7.212 11.156 -3.625 1.00 0.00 C ATOM 1483 O ASN A 102 8.116 10.346 -3.638 1.00 0.00 O ATOM 1484 CB ASN A 102 5.773 12.466 -2.086 1.00 0.00 C ATOM 1485 CG ASN A 102 4.479 12.442 -1.274 1.00 0.00 C ATOM 1486 OD1 ASN A 102 3.649 11.571 -1.452 1.00 0.00 O ATOM 1487 ND2 ASN A 102 4.272 13.366 -0.384 1.00 0.00 N ATOM 0 H ASN A 102 6.982 10.656 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 102 5.188 10.653 -3.084 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.596 12.819 -1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.679 13.164 -2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.413 13.361 0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.969 14.096 -0.235 1.00 0.00 H new ATOM 1494 N GLN A 103 7.170 12.138 -4.479 1.00 0.00 N ATOM 1495 CA GLN A 103 8.235 12.291 -5.508 1.00 0.00 C ATOM 1496 C GLN A 103 8.522 13.769 -5.768 1.00 0.00 C ATOM 1497 O GLN A 103 9.655 14.216 -5.753 1.00 0.00 O ATOM 1498 CB GLN A 103 7.739 11.654 -6.796 1.00 0.00 C ATOM 1499 CG GLN A 103 8.937 11.381 -7.704 1.00 0.00 C ATOM 1500 CD GLN A 103 8.458 11.137 -9.128 1.00 0.00 C ATOM 1501 OE1 GLN A 103 8.473 10.023 -9.615 1.00 0.00 O ATOM 1502 NE2 GLN A 103 8.038 12.157 -9.820 1.00 0.00 N ATOM 0 H GLN A 103 6.438 12.847 -4.509 1.00 0.00 H new ATOM 0 HA GLN A 103 9.150 11.813 -5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.211 10.726 -6.579 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.030 12.315 -7.295 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.623 12.228 -7.681 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.489 10.514 -7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.029 13.088 -9.403 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.718 12.025 -10.779 1.00 0.00 H new ATOM 1511 N LYS A 104 7.490 14.517 -6.014 1.00 0.00 N ATOM 1512 CA LYS A 104 7.648 15.967 -6.286 1.00 0.00 C ATOM 1513 C LYS A 104 7.785 16.675 -4.950 1.00 0.00 C ATOM 1514 O LYS A 104 8.850 17.097 -4.559 1.00 0.00 O ATOM 1515 CB LYS A 104 6.392 16.488 -7.012 1.00 0.00 C ATOM 1516 CG LYS A 104 6.255 18.016 -6.855 1.00 0.00 C ATOM 1517 CD LYS A 104 5.334 18.561 -7.945 1.00 0.00 C ATOM 1518 CE LYS A 104 5.158 20.070 -7.754 1.00 0.00 C ATOM 1519 NZ LYS A 104 6.418 20.771 -8.133 1.00 0.00 N ATOM 0 H LYS A 104 6.528 14.180 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 104 8.523 16.149 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.447 16.231 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.506 15.997 -6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.853 18.256 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.235 18.488 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.755 18.354 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.366 18.062 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.331 20.430 -8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.906 20.289 -6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.236 21.792 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.140 20.606 -7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.758 20.405 -9.045 1.00 0.00 H new ATOM 1533 N GLY A 105 6.704 16.826 -4.255 1.00 0.00 N ATOM 1534 CA GLY A 105 6.764 17.526 -2.953 1.00 0.00 C ATOM 1535 C GLY A 105 7.132 16.529 -1.853 1.00 0.00 C ATOM 1536 O GLY A 105 6.520 16.484 -0.805 1.00 0.00 O ATOM 0 H GLY A 105 5.780 16.495 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.501 18.328 -2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.802 17.988 -2.732 1.00 0.00 H new ATOM 1540 N GLY A 106 8.149 15.733 -2.085 1.00 0.00 N ATOM 1541 CA GLY A 106 8.595 14.735 -1.063 1.00 0.00 C ATOM 1542 C GLY A 106 9.782 15.315 -0.287 1.00 0.00 C ATOM 1543 O GLY A 106 10.136 14.754 0.735 1.00 0.00 O ATOM 1544 OXT GLY A 106 10.319 16.319 -0.733 1.00 0.00 O ATOM 0 H GLY A 106 8.694 15.733 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.777 14.502 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.881 13.802 -1.548 1.00 0.00 H new TER 1548 GLY A 106