USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1085 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 58 THR OG1 : rot 180:sc= 0.00954 USER MOD Set 1.2: A 59 SER OG : rot 93:sc= 0.957 USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.603 K(o=-3.3,f=-6!) USER MOD Set 2.2: A 46 HIS : +bothHN:sc= -2.69 K(o=-3.3,f=-8.8!) USER MOD Set 3.1: A 9 LYS NZ :NH3+ 177:sc= 0.149 (180deg=0) USER MOD Set 3.2: A 15 GLN : amide:sc= 0.0797 X(o=0.23,f=-0.063) USER MOD Set 4.1: A 1 ALA N :NH3+ 161:sc= 0.866 (180deg=-0.0489) USER MOD Set 4.2: A 22 GLN : amide:sc= 1.08 K(o=1.9,f=-9.7!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.73! C(o=-1.7!,f=-12!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 30 LYS NZ :NH3+ 132:sc= -0.0929 (180deg=-0.531!) USER MOD Single : A 34 SER OG : rot -58:sc= 1.25 USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= 0.29 (180deg=-0.766) USER MOD Single : A 39 THR OG1 : rot 44:sc= 0.403 USER MOD Single : A 48 HIS : no HE2:sc= -3.36! C(o=-3.4!,f=-7.2!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 54 THR OG1 : rot -47:sc= 0.328 USER MOD Single : A 63 HIS : no HE2:sc= 0.121 K(o=0.12,f=-3.5!) USER MOD Single : A 65 ASN :FLIP amide:sc= -1.68! C(o=-2.3!,f=-1.7!) USER MOD Single : A 68 SER OG : rot -52:sc= -4.34! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -0.552! C(o=-0.55!,f=-6.6!) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 108:sc= 1.13 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 30:sc= -1.56 USER MOD Single : A 107 SER OG : rot 7:sc= 0.94 USER MOD Single : A 110 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=-0.37) USER MOD Single : A 111 SER OG : rot 140:sc= -0.332 USER MOD Single : A 116 THR OG1 : rot 130:sc= 0.739 USER MOD Single : A 120 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-4.1) USER MOD Single : A 122 LYS NZ :NH3+ 168:sc= 1.2 (180deg=1.07) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.661! C(o=-0.66!,f=-2.9!) USER MOD Single : A 134 SER OG : rot 80:sc= 1.22 USER MOD Single : A 135 THR OG1 : rot 91:sc= 0.768 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 77:sc= 0.49 USER MOD Single : A 139 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 153 GLN : amide:sc=-0.00973 K(o=-0.0097,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.139 -13.366 0.449 1.00 0.00 N ATOM 2 CA ALA A 1 7.628 -14.353 -0.497 1.00 0.00 C ATOM 3 C ALA A 1 6.467 -15.053 -1.164 1.00 0.00 C ATOM 4 O ALA A 1 6.247 -14.902 -2.352 1.00 0.00 O ATOM 5 CB ALA A 1 8.530 -15.358 0.193 1.00 0.00 C ATOM 0 H1 ALA A 1 7.895 -13.124 1.120 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.844 -12.510 -0.063 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.327 -13.756 0.968 1.00 0.00 H new ATOM 0 HA ALA A 1 8.214 -13.841 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.885 -16.088 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.382 -14.840 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.972 -15.869 0.977 1.00 0.00 H new ATOM 13 N THR A 2 5.724 -15.812 -0.400 1.00 0.00 N ATOM 14 CA THR A 2 4.609 -16.542 -0.925 1.00 0.00 C ATOM 15 C THR A 2 3.318 -15.727 -0.806 1.00 0.00 C ATOM 16 O THR A 2 2.548 -15.626 -1.760 1.00 0.00 O ATOM 17 CB THR A 2 4.468 -17.865 -0.156 1.00 0.00 C ATOM 18 OG1 THR A 2 5.760 -18.489 -0.087 1.00 0.00 O ATOM 19 CG2 THR A 2 3.492 -18.806 -0.850 1.00 0.00 C ATOM 0 H THR A 2 5.878 -15.938 0.600 1.00 0.00 H new ATOM 0 HA THR A 2 4.784 -16.744 -1.982 1.00 0.00 H new ATOM 0 HB THR A 2 4.083 -17.655 0.842 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.689 -19.335 0.403 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.414 -19.733 -0.282 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.512 -18.334 -0.910 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.851 -19.026 -1.855 1.00 0.00 H new ATOM 27 N LYS A 3 3.091 -15.156 0.348 1.00 0.00 N ATOM 28 CA LYS A 3 1.876 -14.433 0.579 1.00 0.00 C ATOM 29 C LYS A 3 2.076 -13.398 1.635 1.00 0.00 C ATOM 30 O LYS A 3 3.080 -13.433 2.370 1.00 0.00 O ATOM 31 CB LYS A 3 0.743 -15.376 1.016 1.00 0.00 C ATOM 32 CG LYS A 3 1.008 -16.125 2.320 1.00 0.00 C ATOM 33 CD LYS A 3 -0.239 -16.839 2.814 1.00 0.00 C ATOM 34 CE LYS A 3 -0.740 -17.870 1.824 1.00 0.00 C ATOM 35 NZ LYS A 3 -1.984 -18.510 2.284 1.00 0.00 N ATOM 0 H LYS A 3 3.733 -15.180 1.140 1.00 0.00 H new ATOM 0 HA LYS A 3 1.599 -13.953 -0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.173 -14.796 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.567 -16.103 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.808 -16.850 2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.353 -15.424 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.024 -17.326 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.024 -16.107 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.912 -17.394 0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.026 -18.631 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.296 -19.209 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.814 -18.986 3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.722 -17.787 2.404 1.00 0.00 H new ATOM 49 N ALA A 4 1.129 -12.511 1.729 1.00 0.00 N ATOM 50 CA ALA A 4 1.113 -11.495 2.726 1.00 0.00 C ATOM 51 C ALA A 4 -0.310 -11.226 3.101 1.00 0.00 C ATOM 52 O ALA A 4 -1.202 -11.501 2.320 1.00 0.00 O ATOM 53 CB ALA A 4 1.840 -10.236 2.259 1.00 0.00 C ATOM 0 H ALA A 4 0.330 -12.478 1.096 1.00 0.00 H new ATOM 0 HA ALA A 4 1.655 -11.835 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.807 -9.483 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.878 -10.478 2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.355 -9.846 1.364 1.00 0.00 H new ATOM 59 N VAL A 5 -0.529 -10.765 4.300 1.00 0.00 N ATOM 60 CA VAL A 5 -1.862 -10.485 4.776 1.00 0.00 C ATOM 61 C VAL A 5 -1.844 -9.157 5.501 1.00 0.00 C ATOM 62 O VAL A 5 -1.160 -9.004 6.510 1.00 0.00 O ATOM 63 CB VAL A 5 -2.407 -11.600 5.746 1.00 0.00 C ATOM 64 CG1 VAL A 5 -3.828 -11.289 6.206 1.00 0.00 C ATOM 65 CG2 VAL A 5 -2.362 -12.982 5.102 1.00 0.00 C ATOM 0 H VAL A 5 0.208 -10.571 4.978 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.527 -10.458 3.913 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.750 -11.607 6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.175 -12.077 6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.839 -10.335 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.487 -11.232 5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.746 -13.723 5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.975 -12.983 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.333 -13.229 4.841 1.00 0.00 H new ATOM 75 N ALA A 6 -2.523 -8.199 4.956 1.00 0.00 N ATOM 76 CA ALA A 6 -2.649 -6.898 5.580 1.00 0.00 C ATOM 77 C ALA A 6 -4.085 -6.671 5.989 1.00 0.00 C ATOM 78 O ALA A 6 -4.988 -6.852 5.177 1.00 0.00 O ATOM 79 CB ALA A 6 -2.207 -5.806 4.625 1.00 0.00 C ATOM 0 H ALA A 6 -3.011 -8.285 4.064 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.010 -6.867 6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.308 -4.835 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.165 -5.966 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.829 -5.831 3.730 1.00 0.00 H new ATOM 85 N VAL A 7 -4.299 -6.308 7.237 1.00 0.00 N ATOM 86 CA VAL A 7 -5.626 -6.033 7.747 1.00 0.00 C ATOM 87 C VAL A 7 -5.701 -4.619 8.309 1.00 0.00 C ATOM 88 O VAL A 7 -4.936 -4.240 9.205 1.00 0.00 O ATOM 89 CB VAL A 7 -6.115 -7.085 8.798 1.00 0.00 C ATOM 90 CG1 VAL A 7 -6.415 -8.411 8.120 1.00 0.00 C ATOM 91 CG2 VAL A 7 -5.078 -7.297 9.902 1.00 0.00 C ATOM 0 H VAL A 7 -3.556 -6.195 7.927 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.308 -6.114 6.901 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.026 -6.695 9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.754 -9.132 8.864 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.194 -8.269 7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.512 -8.785 7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.450 -8.033 10.614 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.147 -7.655 9.463 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.897 -6.354 10.417 1.00 0.00 H new ATOM 101 N LEU A 8 -6.577 -3.837 7.749 1.00 0.00 N ATOM 102 CA LEU A 8 -6.748 -2.459 8.147 1.00 0.00 C ATOM 103 C LEU A 8 -8.058 -2.310 8.896 1.00 0.00 C ATOM 104 O LEU A 8 -8.996 -3.067 8.644 1.00 0.00 O ATOM 105 CB LEU A 8 -6.735 -1.501 6.922 1.00 0.00 C ATOM 106 CG LEU A 8 -5.422 -1.362 6.103 1.00 0.00 C ATOM 107 CD1 LEU A 8 -5.074 -2.621 5.322 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.512 -0.183 5.167 1.00 0.00 C ATOM 0 H LEU A 8 -7.200 -4.134 6.998 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.913 -2.187 8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.519 -1.827 6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.012 -0.508 7.275 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.620 -1.202 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.147 -2.462 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.947 -3.454 6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.878 -2.849 4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.585 -0.097 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.346 -0.326 4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.670 0.728 5.744 1.00 0.00 H new ATOM 120 N LYS A 9 -8.094 -1.371 9.831 1.00 0.00 N ATOM 121 CA LYS A 9 -9.265 -1.048 10.600 1.00 0.00 C ATOM 122 C LYS A 9 -8.934 0.204 11.374 1.00 0.00 C ATOM 123 O LYS A 9 -7.888 0.259 12.030 1.00 0.00 O ATOM 124 CB LYS A 9 -9.682 -2.215 11.507 1.00 0.00 C ATOM 125 CG LYS A 9 -11.061 -2.057 12.137 1.00 0.00 C ATOM 126 CD LYS A 9 -11.590 -3.389 12.670 1.00 0.00 C ATOM 127 CE LYS A 9 -11.802 -4.397 11.533 1.00 0.00 C ATOM 128 NZ LYS A 9 -12.370 -5.672 12.003 1.00 0.00 N ATOM 0 H LYS A 9 -7.282 -0.803 10.074 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.127 -0.873 9.957 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.665 -3.136 10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.943 -2.325 12.301 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.010 -1.333 12.950 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.756 -1.658 11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.887 -3.798 13.396 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.531 -3.226 13.195 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.466 -3.962 10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.849 -4.588 11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.540 -6.297 11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.703 -6.129 12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.269 -5.492 12.495 1.00 0.00 H new ATOM 142 N GLY A 10 -9.754 1.200 11.264 1.00 0.00 N ATOM 143 CA GLY A 10 -9.442 2.457 11.867 1.00 0.00 C ATOM 144 C GLY A 10 -10.668 3.221 12.244 1.00 0.00 C ATOM 145 O GLY A 10 -11.732 2.630 12.465 1.00 0.00 O ATOM 0 H GLY A 10 -10.642 1.168 10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.832 2.291 12.755 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.844 3.051 11.176 1.00 0.00 H new ATOM 149 N ASP A 11 -10.494 4.530 12.341 1.00 0.00 N ATOM 150 CA ASP A 11 -11.560 5.495 12.666 1.00 0.00 C ATOM 151 C ASP A 11 -12.771 5.321 11.742 1.00 0.00 C ATOM 152 O ASP A 11 -13.925 5.426 12.172 1.00 0.00 O ATOM 153 CB ASP A 11 -11.010 6.915 12.540 1.00 0.00 C ATOM 154 CG ASP A 11 -12.031 7.980 12.846 1.00 0.00 C ATOM 155 OD1 ASP A 11 -12.219 8.304 14.033 1.00 0.00 O ATOM 156 OD2 ASP A 11 -12.616 8.553 11.908 1.00 0.00 O ATOM 0 H ASP A 11 -9.587 4.973 12.194 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.891 5.313 13.688 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.162 7.030 13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.634 7.063 11.528 1.00 0.00 H new ATOM 161 N GLY A 12 -12.498 5.060 10.492 1.00 0.00 N ATOM 162 CA GLY A 12 -13.533 4.759 9.543 1.00 0.00 C ATOM 163 C GLY A 12 -13.465 3.287 9.231 1.00 0.00 C ATOM 164 O GLY A 12 -12.423 2.664 9.505 1.00 0.00 O ATOM 0 H GLY A 12 -11.554 5.050 10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.510 5.017 9.950 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.400 5.347 8.635 1.00 0.00 H new ATOM 168 N PRO A 13 -14.504 2.665 8.672 1.00 0.00 N ATOM 169 CA PRO A 13 -14.441 1.268 8.426 1.00 0.00 C ATOM 170 C PRO A 13 -13.754 0.974 7.116 1.00 0.00 C ATOM 171 O PRO A 13 -14.133 1.473 6.038 1.00 0.00 O ATOM 172 CB PRO A 13 -15.912 0.833 8.373 1.00 0.00 C ATOM 173 CG PRO A 13 -16.704 2.086 8.125 1.00 0.00 C ATOM 174 CD PRO A 13 -15.752 3.255 8.221 1.00 0.00 C ATOM 0 HA PRO A 13 -13.869 0.740 9.189 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -16.075 0.104 7.579 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -16.213 0.359 9.307 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -17.173 2.054 7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -17.505 2.184 8.857 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -15.632 3.751 7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -16.114 4.006 8.923 1.00 0.00 H new ATOM 182 N VAL A 14 -12.743 0.195 7.233 1.00 0.00 N ATOM 183 CA VAL A 14 -11.996 -0.325 6.164 1.00 0.00 C ATOM 184 C VAL A 14 -11.870 -1.773 6.496 1.00 0.00 C ATOM 185 O VAL A 14 -11.517 -2.088 7.627 1.00 0.00 O ATOM 186 CB VAL A 14 -10.567 0.312 6.077 1.00 0.00 C ATOM 187 CG1 VAL A 14 -9.795 -0.239 4.888 1.00 0.00 C ATOM 188 CG2 VAL A 14 -10.634 1.837 6.003 1.00 0.00 C ATOM 0 H VAL A 14 -12.398 -0.113 8.142 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.475 -0.124 5.206 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.038 0.042 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.807 0.220 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.690 -1.319 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.334 -0.013 3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.624 2.243 5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.197 2.134 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.129 2.223 6.894 1.00 0.00 H new ATOM 198 N GLN A 15 -12.213 -2.638 5.616 1.00 0.00 N ATOM 199 CA GLN A 15 -12.025 -4.033 5.891 1.00 0.00 C ATOM 200 C GLN A 15 -11.589 -4.707 4.621 1.00 0.00 C ATOM 201 O GLN A 15 -12.333 -4.762 3.661 1.00 0.00 O ATOM 202 CB GLN A 15 -13.333 -4.645 6.441 1.00 0.00 C ATOM 203 CG GLN A 15 -13.282 -6.132 6.820 1.00 0.00 C ATOM 204 CD GLN A 15 -12.166 -6.473 7.797 1.00 0.00 C ATOM 205 OE1 GLN A 15 -12.331 -6.367 9.006 1.00 0.00 O ATOM 206 NE2 GLN A 15 -11.065 -6.973 7.287 1.00 0.00 N ATOM 0 H GLN A 15 -12.621 -2.421 4.707 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.257 -4.176 6.652 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.632 -4.077 7.322 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.115 -4.509 5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.238 -6.420 7.258 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.155 -6.725 5.914 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.960 -7.047 6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.315 -7.287 7.902 1.00 0.00 H new ATOM 215 N GLY A 16 -10.410 -5.240 4.621 1.00 0.00 N ATOM 216 CA GLY A 16 -9.892 -5.835 3.469 1.00 0.00 C ATOM 217 C GLY A 16 -8.649 -6.547 3.784 1.00 0.00 C ATOM 218 O GLY A 16 -8.122 -6.399 4.891 1.00 0.00 O ATOM 0 H GLY A 16 -9.791 -5.266 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.621 -6.528 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.703 -5.075 2.711 1.00 0.00 H new ATOM 222 N ILE A 17 -8.180 -7.299 2.842 1.00 0.00 N ATOM 223 CA ILE A 17 -6.983 -8.053 2.958 1.00 0.00 C ATOM 224 C ILE A 17 -6.327 -7.990 1.623 1.00 0.00 C ATOM 225 O ILE A 17 -7.017 -7.932 0.609 1.00 0.00 O ATOM 226 CB ILE A 17 -7.235 -9.554 3.333 1.00 0.00 C ATOM 227 CG1 ILE A 17 -8.247 -10.205 2.365 1.00 0.00 C ATOM 228 CG2 ILE A 17 -7.679 -9.704 4.787 1.00 0.00 C ATOM 229 CD1 ILE A 17 -8.469 -11.677 2.597 1.00 0.00 C ATOM 0 H ILE A 17 -8.641 -7.406 1.938 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.372 -7.637 3.759 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.287 -10.082 3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.202 -9.687 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.899 -10.059 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.844 -10.758 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.905 -9.310 5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.605 -9.151 4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.193 -12.054 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.526 -12.210 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.849 -11.833 3.607 1.00 0.00 H new ATOM 241 N ILE A 18 -5.047 -7.934 1.609 1.00 0.00 N ATOM 242 CA ILE A 18 -4.315 -7.924 0.381 1.00 0.00 C ATOM 243 C ILE A 18 -3.108 -8.804 0.550 1.00 0.00 C ATOM 244 O ILE A 18 -2.462 -8.786 1.611 1.00 0.00 O ATOM 245 CB ILE A 18 -3.911 -6.478 -0.051 1.00 0.00 C ATOM 246 CG1 ILE A 18 -3.072 -6.474 -1.343 1.00 0.00 C ATOM 247 CG2 ILE A 18 -3.194 -5.741 1.067 1.00 0.00 C ATOM 248 CD1 ILE A 18 -3.788 -6.996 -2.572 1.00 0.00 C ATOM 0 H ILE A 18 -4.468 -7.893 2.448 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.948 -8.308 -0.419 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.837 -5.943 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.740 -5.455 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.177 -7.075 -1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.928 -4.739 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.849 -5.670 1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.289 -6.284 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.117 -6.954 -3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.096 -8.028 -2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.667 -6.383 -2.769 1.00 0.00 H new ATOM 260 N ASN A 19 -2.849 -9.604 -0.441 1.00 0.00 N ATOM 261 CA ASN A 19 -1.752 -10.527 -0.416 1.00 0.00 C ATOM 262 C ASN A 19 -0.596 -9.883 -1.178 1.00 0.00 C ATOM 263 O ASN A 19 -0.852 -9.080 -2.055 1.00 0.00 O ATOM 264 CB ASN A 19 -2.247 -11.809 -1.121 1.00 0.00 C ATOM 265 CG ASN A 19 -1.318 -13.001 -1.054 1.00 0.00 C ATOM 266 OD1 ASN A 19 -0.110 -12.875 -0.989 1.00 0.00 O ATOM 267 ND2 ASN A 19 -1.897 -14.177 -1.051 1.00 0.00 N ATOM 0 H ASN A 19 -3.399 -9.635 -1.299 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.412 -10.771 0.591 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.204 -12.094 -0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.432 -11.575 -2.170 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.331 -15.024 -0.993 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.913 -14.245 -1.107 1.00 0.00 H new ATOM 274 N PHE A 20 0.659 -10.146 -0.802 1.00 0.00 N ATOM 275 CA PHE A 20 1.794 -9.673 -1.585 1.00 0.00 C ATOM 276 C PHE A 20 2.853 -10.743 -1.691 1.00 0.00 C ATOM 277 O PHE A 20 3.392 -11.201 -0.670 1.00 0.00 O ATOM 278 CB PHE A 20 2.421 -8.390 -1.008 1.00 0.00 C ATOM 279 CG PHE A 20 1.563 -7.171 -1.146 1.00 0.00 C ATOM 280 CD1 PHE A 20 1.292 -6.642 -2.397 1.00 0.00 C ATOM 281 CD2 PHE A 20 1.027 -6.557 -0.040 1.00 0.00 C ATOM 282 CE1 PHE A 20 0.500 -5.525 -2.533 1.00 0.00 C ATOM 283 CE2 PHE A 20 0.239 -5.436 -0.171 1.00 0.00 C ATOM 284 CZ PHE A 20 -0.026 -4.919 -1.420 1.00 0.00 C ATOM 0 H PHE A 20 0.909 -10.678 0.031 1.00 0.00 H new ATOM 0 HA PHE A 20 1.405 -9.437 -2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.639 -8.549 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.373 -8.209 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.707 -7.112 -3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.226 -6.958 0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.293 -5.126 -3.515 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.172 -4.961 0.707 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.645 -4.040 -1.523 1.00 0.00 H new ATOM 294 N GLU A 21 3.152 -11.161 -2.903 1.00 0.00 N ATOM 295 CA GLU A 21 4.227 -12.089 -3.099 1.00 0.00 C ATOM 296 C GLU A 21 5.385 -11.441 -3.859 1.00 0.00 C ATOM 297 O GLU A 21 5.328 -11.225 -5.067 1.00 0.00 O ATOM 298 CB GLU A 21 3.765 -13.398 -3.787 1.00 0.00 C ATOM 299 CG GLU A 21 3.074 -13.231 -5.137 1.00 0.00 C ATOM 300 CD GLU A 21 2.850 -14.546 -5.834 1.00 0.00 C ATOM 301 OE1 GLU A 21 1.814 -15.188 -5.621 1.00 0.00 O ATOM 302 OE2 GLU A 21 3.707 -14.968 -6.637 1.00 0.00 O ATOM 0 H GLU A 21 2.668 -10.873 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 21 4.585 -12.368 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.634 -14.041 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.084 -13.919 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.116 -12.732 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.678 -12.584 -5.773 1.00 0.00 H new ATOM 309 N GLN A 22 6.403 -11.078 -3.135 1.00 0.00 N ATOM 310 CA GLN A 22 7.592 -10.609 -3.717 1.00 0.00 C ATOM 311 C GLN A 22 8.504 -11.790 -3.928 1.00 0.00 C ATOM 312 O GLN A 22 8.462 -12.771 -3.157 1.00 0.00 O ATOM 313 CB GLN A 22 8.277 -9.532 -2.852 1.00 0.00 C ATOM 314 CG GLN A 22 8.878 -9.967 -1.496 1.00 0.00 C ATOM 315 CD GLN A 22 7.885 -10.250 -0.368 1.00 0.00 C ATOM 316 OE1 GLN A 22 6.770 -10.727 -0.555 1.00 0.00 O ATOM 317 NE2 GLN A 22 8.288 -9.934 0.818 1.00 0.00 N ATOM 0 H GLN A 22 6.415 -11.105 -2.115 1.00 0.00 H new ATOM 0 HA GLN A 22 7.361 -10.131 -4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.076 -9.086 -3.444 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.548 -8.746 -2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.474 -10.865 -1.659 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.562 -9.188 -1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.219 -9.539 0.952 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.676 -10.080 1.620 1.00 0.00 H new ATOM 326 N LYS A 23 9.321 -11.716 -4.914 1.00 0.00 N ATOM 327 CA LYS A 23 10.160 -12.812 -5.255 1.00 0.00 C ATOM 328 C LYS A 23 11.525 -12.256 -5.589 1.00 0.00 C ATOM 329 O LYS A 23 11.644 -11.089 -5.979 1.00 0.00 O ATOM 330 CB LYS A 23 9.566 -13.578 -6.440 1.00 0.00 C ATOM 331 CG LYS A 23 10.037 -15.013 -6.584 1.00 0.00 C ATOM 332 CD LYS A 23 9.499 -15.886 -5.469 1.00 0.00 C ATOM 333 CE LYS A 23 9.916 -17.322 -5.665 1.00 0.00 C ATOM 334 NZ LYS A 23 9.334 -18.220 -4.648 1.00 0.00 N ATOM 0 H LYS A 23 9.429 -10.895 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 23 10.242 -13.514 -4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.480 -13.577 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.806 -13.040 -7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.713 -15.409 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.127 -15.042 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.866 -15.524 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.411 -15.819 -5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.610 -17.654 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.003 -17.390 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.649 -19.195 -4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.646 -17.921 -3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.296 -18.177 -4.700 1.00 0.00 H new ATOM 348 N GLU A 24 12.522 -13.067 -5.417 1.00 0.00 N ATOM 349 CA GLU A 24 13.909 -12.671 -5.576 1.00 0.00 C ATOM 350 C GLU A 24 14.247 -12.221 -7.009 1.00 0.00 C ATOM 351 O GLU A 24 14.724 -11.103 -7.221 1.00 0.00 O ATOM 352 CB GLU A 24 14.869 -13.823 -5.201 1.00 0.00 C ATOM 353 CG GLU A 24 14.535 -14.607 -3.927 1.00 0.00 C ATOM 354 CD GLU A 24 13.407 -15.593 -4.143 1.00 0.00 C ATOM 355 OE1 GLU A 24 13.639 -16.637 -4.793 1.00 0.00 O ATOM 356 OE2 GLU A 24 12.261 -15.313 -3.730 1.00 0.00 O ATOM 0 H GLU A 24 12.404 -14.046 -5.156 1.00 0.00 H new ATOM 0 HA GLU A 24 14.043 -11.825 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.901 -14.525 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.872 -13.410 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.423 -15.141 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.260 -13.910 -3.135 1.00 0.00 H new ATOM 363 N SER A 25 13.976 -13.077 -7.978 1.00 0.00 N ATOM 364 CA SER A 25 14.469 -12.861 -9.325 1.00 0.00 C ATOM 365 C SER A 25 13.673 -11.816 -10.143 1.00 0.00 C ATOM 366 O SER A 25 14.160 -10.698 -10.356 1.00 0.00 O ATOM 367 CB SER A 25 14.512 -14.204 -10.044 1.00 0.00 C ATOM 368 OG SER A 25 15.169 -15.177 -9.225 1.00 0.00 O ATOM 0 H SER A 25 13.420 -13.924 -7.858 1.00 0.00 H new ATOM 0 HA SER A 25 15.467 -12.432 -9.238 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.499 -14.535 -10.275 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.038 -14.101 -10.993 1.00 0.00 H new ATOM 0 HG SER A 25 15.191 -16.038 -9.693 1.00 0.00 H new ATOM 374 N ASN A 26 12.447 -12.160 -10.561 1.00 0.00 N ATOM 375 CA ASN A 26 11.621 -11.282 -11.427 1.00 0.00 C ATOM 376 C ASN A 26 10.320 -11.972 -11.764 1.00 0.00 C ATOM 377 O ASN A 26 10.295 -13.187 -11.961 1.00 0.00 O ATOM 378 CB ASN A 26 12.341 -10.907 -12.756 1.00 0.00 C ATOM 379 CG ASN A 26 12.682 -12.107 -13.649 1.00 0.00 C ATOM 380 OD1 ASN A 26 11.884 -12.536 -14.486 1.00 0.00 O ATOM 381 ND2 ASN A 26 13.879 -12.617 -13.518 1.00 0.00 N ATOM 0 H ASN A 26 11.997 -13.042 -10.317 1.00 0.00 H new ATOM 0 HA ASN A 26 11.442 -10.364 -10.867 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.708 -10.220 -13.317 1.00 0.00 H new ATOM 0 HB3 ASN A 26 13.261 -10.372 -12.519 1.00 0.00 H new ATOM 0 HD21 ASN A 26 14.173 -13.389 -14.116 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.519 -12.243 -12.817 1.00 0.00 H new ATOM 388 N GLY A 27 9.247 -11.227 -11.782 1.00 0.00 N ATOM 389 CA GLY A 27 7.978 -11.801 -12.114 1.00 0.00 C ATOM 390 C GLY A 27 6.874 -10.885 -11.749 1.00 0.00 C ATOM 391 O GLY A 27 7.134 -9.827 -11.159 1.00 0.00 O ATOM 0 H GLY A 27 9.229 -10.229 -11.572 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.940 -12.016 -13.182 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.856 -12.750 -11.593 1.00 0.00 H new ATOM 395 N PRO A 28 5.646 -11.225 -12.092 1.00 0.00 N ATOM 396 CA PRO A 28 4.493 -10.466 -11.718 1.00 0.00 C ATOM 397 C PRO A 28 3.924 -10.960 -10.384 1.00 0.00 C ATOM 398 O PRO A 28 3.772 -12.172 -10.157 1.00 0.00 O ATOM 399 CB PRO A 28 3.497 -10.734 -12.861 1.00 0.00 C ATOM 400 CG PRO A 28 4.089 -11.854 -13.677 1.00 0.00 C ATOM 401 CD PRO A 28 5.271 -12.373 -12.910 1.00 0.00 C ATOM 0 HA PRO A 28 4.712 -9.407 -11.581 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.519 -11.013 -12.468 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.354 -9.842 -13.470 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.356 -12.644 -13.838 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.393 -11.496 -14.661 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.011 -13.238 -12.300 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.080 -12.681 -13.572 1.00 0.00 H new ATOM 409 N VAL A 29 3.664 -10.042 -9.507 1.00 0.00 N ATOM 410 CA VAL A 29 3.055 -10.333 -8.235 1.00 0.00 C ATOM 411 C VAL A 29 1.576 -10.575 -8.485 1.00 0.00 C ATOM 412 O VAL A 29 0.848 -9.627 -8.712 1.00 0.00 O ATOM 413 CB VAL A 29 3.178 -9.105 -7.259 1.00 0.00 C ATOM 414 CG1 VAL A 29 2.647 -9.427 -5.886 1.00 0.00 C ATOM 415 CG2 VAL A 29 4.596 -8.602 -7.152 1.00 0.00 C ATOM 0 H VAL A 29 3.869 -9.053 -9.651 1.00 0.00 H new ATOM 0 HA VAL A 29 3.550 -11.195 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 29 2.567 -8.313 -7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.750 -8.554 -5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.595 -9.703 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.212 -10.258 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.631 -7.754 -6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.237 -9.399 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.946 -8.289 -8.136 1.00 0.00 H new ATOM 425 N LYS A 30 1.142 -11.831 -8.509 1.00 0.00 N ATOM 426 CA LYS A 30 -0.287 -12.114 -8.687 1.00 0.00 C ATOM 427 C LYS A 30 -0.991 -12.234 -7.388 1.00 0.00 C ATOM 428 O LYS A 30 -1.020 -13.271 -6.747 1.00 0.00 O ATOM 429 CB LYS A 30 -0.626 -13.258 -9.673 1.00 0.00 C ATOM 430 CG LYS A 30 0.248 -14.542 -9.618 1.00 0.00 C ATOM 431 CD LYS A 30 -0.026 -15.438 -8.416 1.00 0.00 C ATOM 432 CE LYS A 30 0.814 -16.716 -8.432 1.00 0.00 C ATOM 433 NZ LYS A 30 2.268 -16.451 -8.365 1.00 0.00 N ATOM 0 H LYS A 30 1.737 -12.653 -8.411 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.680 -11.233 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.662 -13.550 -9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.569 -12.857 -10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.085 -15.117 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.299 -14.252 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.179 -14.884 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.083 -15.703 -8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.525 -17.345 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.594 -17.278 -9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.699 -17.062 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.700 -16.651 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.428 -15.454 -8.116 1.00 0.00 H new ATOM 447 N VAL A 31 -1.508 -11.163 -6.972 1.00 0.00 N ATOM 448 CA VAL A 31 -2.122 -11.083 -5.718 1.00 0.00 C ATOM 449 C VAL A 31 -3.489 -10.524 -5.813 1.00 0.00 C ATOM 450 O VAL A 31 -3.824 -9.776 -6.751 1.00 0.00 O ATOM 451 CB VAL A 31 -1.270 -10.337 -4.707 1.00 0.00 C ATOM 452 CG1 VAL A 31 -0.038 -11.169 -4.388 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.881 -8.953 -5.235 1.00 0.00 C ATOM 0 H VAL A 31 -1.519 -10.292 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.218 -12.104 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.844 -10.183 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.580 -10.640 -3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.345 -12.129 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.535 -11.335 -5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.271 -8.439 -4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.313 -9.062 -6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.782 -8.372 -5.430 1.00 0.00 H new ATOM 463 N TRP A 32 -4.265 -10.902 -4.872 1.00 0.00 N ATOM 464 CA TRP A 32 -5.647 -10.611 -4.838 1.00 0.00 C ATOM 465 C TRP A 32 -5.945 -9.959 -3.507 1.00 0.00 C ATOM 466 O TRP A 32 -5.245 -10.233 -2.513 1.00 0.00 O ATOM 467 CB TRP A 32 -6.447 -11.921 -5.011 1.00 0.00 C ATOM 468 CG TRP A 32 -6.298 -12.597 -6.356 1.00 0.00 C ATOM 469 CD1 TRP A 32 -7.051 -12.370 -7.472 1.00 0.00 C ATOM 470 CD2 TRP A 32 -5.356 -13.624 -6.713 1.00 0.00 C ATOM 471 NE1 TRP A 32 -6.625 -13.179 -8.503 1.00 0.00 N ATOM 472 CE2 TRP A 32 -5.588 -13.954 -8.062 1.00 0.00 C ATOM 473 CE3 TRP A 32 -4.334 -14.288 -6.025 1.00 0.00 C ATOM 474 CZ2 TRP A 32 -4.840 -14.917 -8.734 1.00 0.00 C ATOM 475 CZ3 TRP A 32 -3.598 -15.245 -6.694 1.00 0.00 C ATOM 476 CH2 TRP A 32 -3.851 -15.549 -8.035 1.00 0.00 C ATOM 0 H TRP A 32 -3.943 -11.445 -4.071 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.932 -9.936 -5.645 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.138 -12.621 -4.235 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -7.503 -11.707 -4.845 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -7.862 -11.660 -7.537 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -7.019 -13.197 -9.443 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.125 -14.056 -4.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.034 -15.155 -9.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.811 -15.769 -6.171 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -3.252 -16.300 -8.529 1.00 0.00 H new ATOM 487 N GLY A 33 -6.897 -9.079 -3.493 1.00 0.00 N ATOM 488 CA GLY A 33 -7.273 -8.417 -2.299 1.00 0.00 C ATOM 489 C GLY A 33 -8.579 -7.727 -2.486 1.00 0.00 C ATOM 490 O GLY A 33 -8.849 -7.190 -3.558 1.00 0.00 O ATOM 0 H GLY A 33 -7.433 -8.804 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.346 -9.136 -1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.507 -7.693 -2.019 1.00 0.00 H new ATOM 494 N SER A 34 -9.389 -7.787 -1.494 1.00 0.00 N ATOM 495 CA SER A 34 -10.664 -7.237 -1.501 1.00 0.00 C ATOM 496 C SER A 34 -10.664 -6.177 -0.428 1.00 0.00 C ATOM 497 O SER A 34 -9.957 -6.342 0.570 1.00 0.00 O ATOM 498 CB SER A 34 -11.635 -8.360 -1.209 1.00 0.00 C ATOM 499 OG SER A 34 -11.398 -9.484 -2.078 1.00 0.00 O ATOM 0 H SER A 34 -9.153 -8.249 -0.616 1.00 0.00 H new ATOM 0 HA SER A 34 -10.952 -6.783 -2.449 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.535 -8.672 -0.169 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.657 -8.005 -1.338 1.00 0.00 H new ATOM 0 HG SER A 34 -11.481 -9.199 -3.012 1.00 0.00 H new ATOM 505 N ILE A 35 -11.379 -5.125 -0.606 1.00 0.00 N ATOM 506 CA ILE A 35 -11.446 -4.114 0.389 1.00 0.00 C ATOM 507 C ILE A 35 -12.881 -3.637 0.466 1.00 0.00 C ATOM 508 O ILE A 35 -13.640 -3.828 -0.473 1.00 0.00 O ATOM 509 CB ILE A 35 -10.420 -2.953 0.126 1.00 0.00 C ATOM 510 CG1 ILE A 35 -10.304 -2.009 1.336 1.00 0.00 C ATOM 511 CG2 ILE A 35 -10.781 -2.180 -1.126 1.00 0.00 C ATOM 512 CD1 ILE A 35 -9.227 -0.950 1.190 1.00 0.00 C ATOM 0 H ILE A 35 -11.933 -4.940 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.152 -4.519 1.357 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.444 -3.413 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.264 -1.517 1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.099 -2.601 2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.054 -1.383 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.774 -2.853 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.775 -1.748 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.208 -0.325 2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.258 -1.432 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.441 -0.331 0.318 1.00 0.00 H new ATOM 524 N LYS A 36 -13.233 -3.117 1.580 1.00 0.00 N ATOM 525 CA LYS A 36 -14.534 -2.662 1.920 1.00 0.00 C ATOM 526 C LYS A 36 -14.331 -1.347 2.609 1.00 0.00 C ATOM 527 O LYS A 36 -13.480 -1.247 3.505 1.00 0.00 O ATOM 528 CB LYS A 36 -15.232 -3.655 2.868 1.00 0.00 C ATOM 529 CG LYS A 36 -15.559 -5.030 2.274 1.00 0.00 C ATOM 530 CD LYS A 36 -16.631 -4.964 1.185 1.00 0.00 C ATOM 531 CE LYS A 36 -17.972 -4.470 1.738 1.00 0.00 C ATOM 532 NZ LYS A 36 -19.072 -4.530 0.739 1.00 0.00 N ATOM 0 H LYS A 36 -12.568 -2.986 2.342 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.166 -2.569 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.598 -3.800 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.159 -3.202 3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.651 -5.467 1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.896 -5.694 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.299 -4.299 0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.762 -5.952 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.244 -5.071 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -17.859 -3.443 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.980 -4.653 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.092 -3.646 0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.914 -5.332 0.096 1.00 0.00 H new ATOM 546 N GLY A 37 -15.059 -0.374 2.204 1.00 0.00 N ATOM 547 CA GLY A 37 -14.873 0.954 2.676 1.00 0.00 C ATOM 548 C GLY A 37 -16.059 1.791 2.343 1.00 0.00 C ATOM 549 O GLY A 37 -17.003 1.296 1.717 1.00 0.00 O ATOM 0 H GLY A 37 -15.813 -0.475 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.717 0.945 3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.978 1.385 2.228 1.00 0.00 H new ATOM 553 N LEU A 38 -16.071 3.023 2.816 1.00 0.00 N ATOM 554 CA LEU A 38 -17.155 3.941 2.495 1.00 0.00 C ATOM 555 C LEU A 38 -17.066 4.234 1.002 1.00 0.00 C ATOM 556 O LEU A 38 -15.968 4.306 0.449 1.00 0.00 O ATOM 557 CB LEU A 38 -17.011 5.233 3.307 1.00 0.00 C ATOM 558 CG LEU A 38 -17.045 5.072 4.834 1.00 0.00 C ATOM 559 CD1 LEU A 38 -16.784 6.399 5.515 1.00 0.00 C ATOM 560 CD2 LEU A 38 -18.383 4.502 5.292 1.00 0.00 C ATOM 0 H LEU A 38 -15.348 3.413 3.421 1.00 0.00 H new ATOM 0 HA LEU A 38 -18.122 3.504 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.070 5.709 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.810 5.914 3.015 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.258 4.372 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.812 6.265 6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.803 6.772 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.549 7.117 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.382 4.398 6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.187 5.175 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.538 3.525 4.834 1.00 0.00 H new ATOM 572 N THR A 39 -18.200 4.402 0.370 1.00 0.00 N ATOM 573 CA THR A 39 -18.273 4.357 -1.067 1.00 0.00 C ATOM 574 C THR A 39 -17.597 5.557 -1.781 1.00 0.00 C ATOM 575 O THR A 39 -18.117 6.677 -1.810 1.00 0.00 O ATOM 576 CB THR A 39 -19.763 4.272 -1.427 1.00 0.00 C ATOM 577 OG1 THR A 39 -20.455 5.401 -0.852 1.00 0.00 O ATOM 578 CG2 THR A 39 -20.359 3.022 -0.818 1.00 0.00 C ATOM 0 H THR A 39 -19.092 4.573 0.834 1.00 0.00 H new ATOM 0 HA THR A 39 -17.713 3.490 -1.418 1.00 0.00 H new ATOM 0 HB THR A 39 -19.865 4.260 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.931 6.216 -0.999 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.417 2.962 -1.074 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.841 2.145 -1.207 1.00 0.00 H new ATOM 0 HG23 THR A 39 -20.249 3.057 0.266 1.00 0.00 H new ATOM 586 N GLU A 40 -16.485 5.279 -2.356 1.00 0.00 N ATOM 587 CA GLU A 40 -15.691 6.197 -3.097 1.00 0.00 C ATOM 588 C GLU A 40 -14.600 5.365 -3.631 1.00 0.00 C ATOM 589 O GLU A 40 -14.448 4.226 -3.165 1.00 0.00 O ATOM 590 CB GLU A 40 -15.148 7.317 -2.179 1.00 0.00 C ATOM 591 CG GLU A 40 -14.316 8.380 -2.862 1.00 0.00 C ATOM 592 CD GLU A 40 -14.048 9.555 -1.964 1.00 0.00 C ATOM 593 OE1 GLU A 40 -13.244 9.445 -1.026 1.00 0.00 O ATOM 594 OE2 GLU A 40 -14.664 10.615 -2.165 1.00 0.00 O ATOM 0 H GLU A 40 -16.076 4.345 -2.321 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.249 6.706 -3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.993 7.802 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -14.546 6.858 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.369 7.947 -3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.831 8.721 -3.760 1.00 0.00 H new ATOM 601 N GLY A 41 -13.929 5.805 -4.598 1.00 0.00 N ATOM 602 CA GLY A 41 -12.716 5.119 -4.922 1.00 0.00 C ATOM 603 C GLY A 41 -12.282 5.361 -6.278 1.00 0.00 C ATOM 604 O GLY A 41 -13.106 5.279 -7.195 1.00 0.00 O ATOM 0 H GLY A 41 -14.166 6.609 -5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.932 5.432 -4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.859 4.048 -4.777 1.00 0.00 H new ATOM 608 N LEU A 42 -10.980 5.586 -6.453 1.00 0.00 N ATOM 609 CA LEU A 42 -10.458 5.941 -7.755 1.00 0.00 C ATOM 610 C LEU A 42 -8.947 6.200 -7.669 1.00 0.00 C ATOM 611 O LEU A 42 -8.502 7.329 -7.859 1.00 0.00 O ATOM 612 CB LEU A 42 -11.169 7.205 -8.281 1.00 0.00 C ATOM 613 CG LEU A 42 -11.302 7.412 -9.809 1.00 0.00 C ATOM 614 CD1 LEU A 42 -9.965 7.610 -10.506 1.00 0.00 C ATOM 615 CD2 LEU A 42 -12.063 6.260 -10.448 1.00 0.00 C ATOM 0 H LEU A 42 -10.281 5.528 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.639 5.113 -8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.174 7.217 -7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.644 8.070 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.866 8.335 -9.941 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.129 7.749 -11.575 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.468 8.490 -10.097 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.338 6.733 -10.347 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.143 6.428 -11.522 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.530 5.327 -10.266 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.061 6.199 -10.015 1.00 0.00 H new ATOM 627 N HIS A 43 -8.195 5.168 -7.311 1.00 0.00 N ATOM 628 CA HIS A 43 -6.714 5.154 -7.315 1.00 0.00 C ATOM 629 C HIS A 43 -6.292 3.973 -6.510 1.00 0.00 C ATOM 630 O HIS A 43 -6.672 3.873 -5.357 1.00 0.00 O ATOM 631 CB HIS A 43 -6.038 6.427 -6.753 1.00 0.00 C ATOM 632 CG HIS A 43 -4.598 6.562 -7.183 1.00 0.00 C ATOM 633 ND1 HIS A 43 -4.209 6.558 -8.499 1.00 0.00 N ATOM 634 CD2 HIS A 43 -3.463 6.664 -6.475 1.00 0.00 C ATOM 635 CE1 HIS A 43 -2.908 6.643 -8.572 1.00 0.00 C ATOM 636 NE2 HIS A 43 -2.429 6.709 -7.363 1.00 0.00 N ATOM 0 H HIS A 43 -8.598 4.285 -6.998 1.00 0.00 H new ATOM 0 HA HIS A 43 -6.393 5.108 -8.356 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.595 7.304 -7.083 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.087 6.409 -5.664 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.383 6.703 -5.399 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.327 6.656 -9.482 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.441 6.782 -7.120 1.00 0.00 H new ATOM 645 N GLY A 44 -5.514 3.115 -7.137 1.00 0.00 N ATOM 646 CA GLY A 44 -5.073 1.792 -6.624 1.00 0.00 C ATOM 647 C GLY A 44 -4.519 1.674 -5.204 1.00 0.00 C ATOM 648 O GLY A 44 -5.096 2.144 -4.242 1.00 0.00 O ATOM 0 H GLY A 44 -5.142 3.312 -8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.924 1.114 -6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.307 1.418 -7.304 1.00 0.00 H new ATOM 652 N PHE A 45 -3.433 0.965 -5.069 1.00 0.00 N ATOM 653 CA PHE A 45 -2.801 0.831 -3.785 1.00 0.00 C ATOM 654 C PHE A 45 -1.846 1.939 -3.628 1.00 0.00 C ATOM 655 O PHE A 45 -1.561 2.627 -4.590 1.00 0.00 O ATOM 656 CB PHE A 45 -2.146 -0.529 -3.563 1.00 0.00 C ATOM 657 CG PHE A 45 -3.097 -1.563 -3.021 1.00 0.00 C ATOM 658 CD1 PHE A 45 -4.114 -2.093 -3.796 1.00 0.00 C ATOM 659 CD2 PHE A 45 -2.986 -1.978 -1.711 1.00 0.00 C ATOM 660 CE1 PHE A 45 -4.990 -3.020 -3.271 1.00 0.00 C ATOM 661 CE2 PHE A 45 -3.861 -2.901 -1.185 1.00 0.00 C ATOM 662 CZ PHE A 45 -4.863 -3.423 -1.967 1.00 0.00 C ATOM 0 H PHE A 45 -2.967 0.472 -5.831 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.569 0.885 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.732 -0.884 -4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.311 -0.415 -2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.223 -1.777 -4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.201 -1.573 -1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.777 -3.429 -3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.760 -3.215 -0.157 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.549 -4.149 -1.555 1.00 0.00 H new ATOM 672 N HIS A 46 -1.423 2.217 -2.401 1.00 0.00 N ATOM 673 CA HIS A 46 -0.547 3.364 -2.167 1.00 0.00 C ATOM 674 C HIS A 46 0.021 3.379 -0.748 1.00 0.00 C ATOM 675 O HIS A 46 -0.333 4.335 0.117 1.00 0.00 O ATOM 676 CB HIS A 46 -1.311 4.681 -2.460 1.00 0.00 C ATOM 677 CG HIS A 46 -2.856 4.590 -2.441 1.00 0.00 C ATOM 678 ND1 HIS A 46 -3.614 4.233 -1.331 1.00 0.00 N ATOM 679 CD2 HIS A 46 -3.749 4.789 -3.437 1.00 0.00 C ATOM 680 CE1 HIS A 46 -4.891 4.229 -1.673 1.00 0.00 C ATOM 681 NE2 HIS A 46 -4.992 4.562 -2.933 1.00 0.00 N ATOM 0 H HIS A 46 -1.664 1.680 -1.568 1.00 0.00 H new ATOM 0 HA HIS A 46 0.300 3.276 -2.848 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.002 5.427 -1.728 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.001 5.047 -3.439 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.246 4.011 -0.406 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.517 5.077 -4.452 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.716 3.990 -1.018 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.865 4.639 -3.456 1.00 0.00 H new ATOM 690 N VAL A 47 1.088 2.635 -0.677 1.00 0.00 N ATOM 691 CA VAL A 47 1.801 2.104 0.483 1.00 0.00 C ATOM 692 C VAL A 47 2.906 3.037 1.034 1.00 0.00 C ATOM 693 O VAL A 47 3.173 4.107 0.483 1.00 0.00 O ATOM 694 CB VAL A 47 2.456 0.743 0.076 1.00 0.00 C ATOM 695 CG1 VAL A 47 1.443 -0.196 -0.563 1.00 0.00 C ATOM 696 CG2 VAL A 47 3.641 0.943 -0.861 1.00 0.00 C ATOM 0 H VAL A 47 1.549 2.340 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 47 1.065 1.994 1.279 1.00 0.00 H new ATOM 0 HB VAL A 47 2.820 0.286 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.934 -1.131 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.639 -0.399 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.030 0.269 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.068 -0.026 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.307 1.446 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.397 1.552 -0.366 1.00 0.00 H new ATOM 706 N HIS A 48 3.465 2.636 2.167 1.00 0.00 N ATOM 707 CA HIS A 48 4.615 3.284 2.831 1.00 0.00 C ATOM 708 C HIS A 48 5.083 2.373 3.978 1.00 0.00 C ATOM 709 O HIS A 48 4.682 2.511 5.141 1.00 0.00 O ATOM 710 CB HIS A 48 4.335 4.763 3.314 1.00 0.00 C ATOM 711 CG HIS A 48 3.292 4.942 4.399 1.00 0.00 C ATOM 712 ND1 HIS A 48 3.312 5.982 5.311 1.00 0.00 N ATOM 713 CD2 HIS A 48 2.194 4.220 4.698 1.00 0.00 C ATOM 714 CE1 HIS A 48 2.270 5.873 6.104 1.00 0.00 C ATOM 715 NE2 HIS A 48 1.586 4.819 5.758 1.00 0.00 N ATOM 0 H HIS A 48 3.126 1.821 2.678 1.00 0.00 H new ATOM 0 HA HIS A 48 5.411 3.401 2.095 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.273 5.187 3.672 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.029 5.351 2.449 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.020 6.714 5.360 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.858 3.329 4.189 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.021 6.547 6.911 1.00 0.00 H new ATOM 724 N GLU A 49 5.926 1.454 3.646 1.00 0.00 N ATOM 725 CA GLU A 49 6.310 0.436 4.604 1.00 0.00 C ATOM 726 C GLU A 49 7.481 0.805 5.507 1.00 0.00 C ATOM 727 O GLU A 49 8.655 0.538 5.205 1.00 0.00 O ATOM 728 CB GLU A 49 6.482 -0.922 3.961 1.00 0.00 C ATOM 729 CG GLU A 49 5.183 -1.571 3.480 1.00 0.00 C ATOM 730 CD GLU A 49 4.511 -0.798 2.398 1.00 0.00 C ATOM 731 OE1 GLU A 49 4.975 -0.892 1.250 1.00 0.00 O ATOM 732 OE2 GLU A 49 3.552 -0.025 2.701 1.00 0.00 O ATOM 0 H GLU A 49 6.367 1.374 2.730 1.00 0.00 H new ATOM 0 HA GLU A 49 5.460 0.372 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.159 -0.824 3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.962 -1.589 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.398 -2.577 3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.500 -1.673 4.324 1.00 0.00 H new ATOM 739 N PHE A 50 7.123 1.409 6.617 1.00 0.00 N ATOM 740 CA PHE A 50 8.072 1.884 7.589 1.00 0.00 C ATOM 741 C PHE A 50 7.902 1.191 8.956 1.00 0.00 C ATOM 742 O PHE A 50 8.867 1.067 9.698 1.00 0.00 O ATOM 743 CB PHE A 50 7.928 3.415 7.714 1.00 0.00 C ATOM 744 CG PHE A 50 8.828 4.070 8.726 1.00 0.00 C ATOM 745 CD1 PHE A 50 10.176 4.229 8.470 1.00 0.00 C ATOM 746 CD2 PHE A 50 8.317 4.538 9.928 1.00 0.00 C ATOM 747 CE1 PHE A 50 11.000 4.841 9.389 1.00 0.00 C ATOM 748 CE2 PHE A 50 9.138 5.149 10.853 1.00 0.00 C ATOM 749 CZ PHE A 50 10.481 5.300 10.583 1.00 0.00 C ATOM 0 H PHE A 50 6.151 1.585 6.870 1.00 0.00 H new ATOM 0 HA PHE A 50 9.077 1.636 7.249 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.122 3.861 6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.894 3.645 7.970 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.589 3.870 7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.265 4.423 10.142 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.052 4.962 9.175 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.729 5.508 11.786 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.127 5.777 11.305 1.00 0.00 H new ATOM 759 N GLY A 51 6.718 0.624 9.227 1.00 0.00 N ATOM 760 CA GLY A 51 6.447 0.094 10.569 1.00 0.00 C ATOM 761 C GLY A 51 5.782 1.124 11.458 1.00 0.00 C ATOM 762 O GLY A 51 6.416 2.127 11.817 1.00 0.00 O ATOM 0 H GLY A 51 5.955 0.522 8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.807 -0.785 10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.381 -0.232 11.026 1.00 0.00 H new ATOM 766 N ASP A 52 4.517 0.920 11.799 1.00 0.00 N ATOM 767 CA ASP A 52 3.825 1.859 12.624 1.00 0.00 C ATOM 768 C ASP A 52 2.755 1.077 13.339 1.00 0.00 C ATOM 769 O ASP A 52 2.728 -0.167 13.241 1.00 0.00 O ATOM 770 CB ASP A 52 3.178 2.905 11.730 1.00 0.00 C ATOM 771 CG ASP A 52 2.973 4.239 12.375 1.00 0.00 C ATOM 772 OD1 ASP A 52 2.828 4.341 13.621 1.00 0.00 O ATOM 773 OD2 ASP A 52 3.003 5.231 11.643 1.00 0.00 O ATOM 0 H ASP A 52 3.965 0.112 11.511 1.00 0.00 H new ATOM 0 HA ASP A 52 4.490 2.358 13.329 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.797 3.037 10.842 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.213 2.528 11.393 1.00 0.00 H new ATOM 778 N ASN A 53 1.878 1.750 14.020 1.00 0.00 N ATOM 779 CA ASN A 53 0.793 1.081 14.690 1.00 0.00 C ATOM 780 C ASN A 53 -0.221 0.635 13.651 1.00 0.00 C ATOM 781 O ASN A 53 -0.593 1.404 12.766 1.00 0.00 O ATOM 782 CB ASN A 53 0.134 1.979 15.731 1.00 0.00 C ATOM 783 CG ASN A 53 -0.968 1.266 16.494 1.00 0.00 C ATOM 784 OD1 ASN A 53 -0.930 0.053 16.691 1.00 0.00 O ATOM 785 ND2 ASN A 53 -1.950 1.988 16.910 1.00 0.00 N ATOM 0 H ASN A 53 1.888 2.764 14.129 1.00 0.00 H new ATOM 0 HA ASN A 53 1.188 0.215 15.222 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.889 2.332 16.433 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.279 2.859 15.239 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.722 1.555 17.417 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.956 2.992 16.733 1.00 0.00 H new ATOM 792 N THR A 54 -0.695 -0.579 13.785 1.00 0.00 N ATOM 793 CA THR A 54 -1.573 -1.224 12.818 1.00 0.00 C ATOM 794 C THR A 54 -2.983 -0.571 12.724 1.00 0.00 C ATOM 795 O THR A 54 -3.865 -1.077 12.036 1.00 0.00 O ATOM 796 CB THR A 54 -1.695 -2.746 13.127 1.00 0.00 C ATOM 797 OG1 THR A 54 -2.303 -3.436 12.027 1.00 0.00 O ATOM 798 CG2 THR A 54 -2.514 -2.993 14.386 1.00 0.00 C ATOM 0 H THR A 54 -0.480 -1.169 14.589 1.00 0.00 H new ATOM 0 HA THR A 54 -1.109 -1.084 11.842 1.00 0.00 H new ATOM 0 HB THR A 54 -0.686 -3.127 13.285 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.096 -2.943 11.730 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.580 -4.065 14.573 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.033 -2.506 15.234 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.516 -2.586 14.254 1.00 0.00 H new ATOM 806 N ALA A 55 -3.185 0.513 13.417 1.00 0.00 N ATOM 807 CA ALA A 55 -4.438 1.204 13.372 1.00 0.00 C ATOM 808 C ALA A 55 -4.232 2.663 12.980 1.00 0.00 C ATOM 809 O ALA A 55 -5.182 3.456 12.983 1.00 0.00 O ATOM 810 CB ALA A 55 -5.146 1.091 14.712 1.00 0.00 C ATOM 0 H ALA A 55 -2.487 0.940 14.026 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.068 0.741 12.613 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.098 1.620 14.666 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.325 0.041 14.941 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.523 1.531 15.491 1.00 0.00 H new ATOM 816 N GLY A 56 -2.999 3.041 12.631 1.00 0.00 N ATOM 817 CA GLY A 56 -2.805 4.413 12.260 1.00 0.00 C ATOM 818 C GLY A 56 -1.376 4.745 12.035 1.00 0.00 C ATOM 819 O GLY A 56 -0.520 4.329 12.800 1.00 0.00 O ATOM 0 H GLY A 56 -2.173 2.443 12.602 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.371 4.624 11.353 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.205 5.058 13.042 1.00 0.00 H new ATOM 823 N CYS A 57 -1.096 5.468 10.998 1.00 0.00 N ATOM 824 CA CYS A 57 0.249 5.806 10.706 1.00 0.00 C ATOM 825 C CYS A 57 0.606 7.198 11.237 1.00 0.00 C ATOM 826 O CYS A 57 0.383 8.206 10.573 1.00 0.00 O ATOM 827 CB CYS A 57 0.459 5.744 9.203 1.00 0.00 C ATOM 828 SG CYS A 57 -0.045 4.150 8.434 1.00 0.00 S ATOM 0 H CYS A 57 -1.786 5.833 10.342 1.00 0.00 H new ATOM 0 HA CYS A 57 0.905 5.091 11.202 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.102 6.553 8.736 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.513 5.921 8.987 1.00 0.00 H new ATOM 833 N THR A 58 1.041 7.245 12.474 1.00 0.00 N ATOM 834 CA THR A 58 1.576 8.445 13.070 1.00 0.00 C ATOM 835 C THR A 58 3.058 8.639 12.718 1.00 0.00 C ATOM 836 O THR A 58 3.536 9.756 12.464 1.00 0.00 O ATOM 837 CB THR A 58 1.367 8.443 14.590 1.00 0.00 C ATOM 838 OG1 THR A 58 1.809 7.184 15.138 1.00 0.00 O ATOM 839 CG2 THR A 58 -0.099 8.657 14.918 1.00 0.00 C ATOM 0 H THR A 58 1.033 6.441 13.102 1.00 0.00 H new ATOM 0 HA THR A 58 1.028 9.290 12.653 1.00 0.00 H new ATOM 0 HB THR A 58 1.948 9.254 15.028 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.676 7.185 16.109 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.234 8.653 16.000 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.426 9.615 14.515 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.691 7.856 14.476 1.00 0.00 H new ATOM 847 N SER A 59 3.752 7.524 12.671 1.00 0.00 N ATOM 848 CA SER A 59 5.186 7.468 12.559 1.00 0.00 C ATOM 849 C SER A 59 5.612 7.437 11.103 1.00 0.00 C ATOM 850 O SER A 59 6.570 8.098 10.712 1.00 0.00 O ATOM 851 CB SER A 59 5.666 6.216 13.275 1.00 0.00 C ATOM 852 OG SER A 59 4.922 6.027 14.491 1.00 0.00 O ATOM 0 H SER A 59 3.316 6.603 12.711 1.00 0.00 H new ATOM 0 HA SER A 59 5.627 8.356 13.012 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.545 5.348 12.627 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.729 6.301 13.499 1.00 0.00 H new ATOM 0 HG SER A 59 4.151 5.448 14.316 1.00 0.00 H new ATOM 858 N ALA A 60 4.882 6.694 10.293 1.00 0.00 N ATOM 859 CA ALA A 60 5.158 6.628 8.900 1.00 0.00 C ATOM 860 C ALA A 60 4.397 7.763 8.271 1.00 0.00 C ATOM 861 O ALA A 60 4.607 8.115 7.096 1.00 0.00 O ATOM 862 CB ALA A 60 4.728 5.280 8.352 1.00 0.00 C ATOM 0 H ALA A 60 4.089 6.128 10.595 1.00 0.00 H new ATOM 0 HA ALA A 60 6.222 6.723 8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.942 5.236 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.274 4.488 8.864 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.658 5.146 8.513 1.00 0.00 H new ATOM 868 N GLY A 61 3.451 8.252 9.100 1.00 0.00 N ATOM 869 CA GLY A 61 2.650 9.432 8.907 1.00 0.00 C ATOM 870 C GLY A 61 2.207 9.710 7.514 1.00 0.00 C ATOM 871 O GLY A 61 1.902 8.788 6.725 1.00 0.00 O ATOM 0 H GLY A 61 3.228 7.783 9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.764 9.351 9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.217 10.292 9.263 1.00 0.00 H new ATOM 875 N PRO A 62 2.142 10.973 7.171 1.00 0.00 N ATOM 876 CA PRO A 62 1.799 11.377 5.872 1.00 0.00 C ATOM 877 C PRO A 62 3.011 11.325 4.973 1.00 0.00 C ATOM 878 O PRO A 62 3.805 12.273 4.921 1.00 0.00 O ATOM 879 CB PRO A 62 1.282 12.812 6.027 1.00 0.00 C ATOM 880 CG PRO A 62 1.551 13.192 7.447 1.00 0.00 C ATOM 881 CD PRO A 62 2.403 12.119 8.042 1.00 0.00 C ATOM 0 HA PRO A 62 1.050 10.729 5.417 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.791 13.487 5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 62 0.217 12.870 5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.057 14.156 7.497 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.618 13.293 8.001 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.458 12.394 8.042 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.128 11.911 9.076 1.00 0.00 H new ATOM 889 N HIS A 63 3.219 10.142 4.403 1.00 0.00 N ATOM 890 CA HIS A 63 4.216 9.935 3.335 1.00 0.00 C ATOM 891 C HIS A 63 5.642 9.851 3.819 1.00 0.00 C ATOM 892 O HIS A 63 6.244 10.819 4.256 1.00 0.00 O ATOM 893 CB HIS A 63 4.062 10.999 2.194 1.00 0.00 C ATOM 894 CG HIS A 63 5.240 11.179 1.246 1.00 0.00 C ATOM 895 ND1 HIS A 63 6.054 12.279 1.277 1.00 0.00 N ATOM 896 CD2 HIS A 63 5.707 10.413 0.240 1.00 0.00 C ATOM 897 CE1 HIS A 63 6.965 12.190 0.344 1.00 0.00 C ATOM 898 NE2 HIS A 63 6.780 11.063 -0.311 1.00 0.00 N ATOM 0 H HIS A 63 2.708 9.297 4.661 1.00 0.00 H new ATOM 0 HA HIS A 63 3.994 8.949 2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.188 10.733 1.600 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.851 11.963 2.657 1.00 0.00 H new ATOM 0 HD1 HIS A 63 5.963 13.055 1.933 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.308 9.460 -0.075 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.738 12.917 0.144 1.00 0.00 H new ATOM 907 N PHE A 64 6.142 8.658 3.703 1.00 0.00 N ATOM 908 CA PHE A 64 7.506 8.310 3.946 1.00 0.00 C ATOM 909 C PHE A 64 7.656 6.877 3.451 1.00 0.00 C ATOM 910 O PHE A 64 7.289 5.935 4.150 1.00 0.00 O ATOM 911 CB PHE A 64 7.869 8.427 5.442 1.00 0.00 C ATOM 912 CG PHE A 64 9.342 8.315 5.714 1.00 0.00 C ATOM 913 CD1 PHE A 64 10.185 9.378 5.435 1.00 0.00 C ATOM 914 CD2 PHE A 64 9.881 7.163 6.251 1.00 0.00 C ATOM 915 CE1 PHE A 64 11.537 9.291 5.682 1.00 0.00 C ATOM 916 CE2 PHE A 64 11.235 7.071 6.500 1.00 0.00 C ATOM 917 CZ PHE A 64 12.061 8.134 6.216 1.00 0.00 C ATOM 0 H PHE A 64 5.576 7.858 3.420 1.00 0.00 H new ATOM 0 HA PHE A 64 8.184 8.988 3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.510 9.384 5.821 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.345 7.648 5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.777 10.287 5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.237 6.326 6.478 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.184 10.126 5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.647 6.164 6.918 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.121 8.061 6.412 1.00 0.00 H new ATOM 927 N ASN A 65 8.043 6.718 2.196 1.00 0.00 N ATOM 928 CA ASN A 65 8.189 5.385 1.607 1.00 0.00 C ATOM 929 C ASN A 65 9.658 5.133 1.358 1.00 0.00 C ATOM 930 O ASN A 65 10.161 5.415 0.295 1.00 0.00 O ATOM 931 CB ASN A 65 7.391 5.263 0.273 1.00 0.00 C ATOM 932 CG ASN A 65 7.500 3.874 -0.392 1.00 0.00 C ATOM 933 OD1 ASN A 65 6.527 3.020 -0.170 1.00 0.00 O flip ATOM 934 ND2 ASN A 65 8.428 3.604 -1.150 1.00 0.00 N flip ATOM 0 H ASN A 65 8.262 7.487 1.563 1.00 0.00 H new ATOM 0 HA ASN A 65 7.787 4.643 2.297 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.341 5.481 0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.750 6.019 -0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.173 4.283 -1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.454 2.700 -1.623 1.00 0.00 H new ATOM 941 N PRO A 66 10.362 4.570 2.326 1.00 0.00 N ATOM 942 CA PRO A 66 11.806 4.406 2.257 1.00 0.00 C ATOM 943 C PRO A 66 12.183 3.250 1.365 1.00 0.00 C ATOM 944 O PRO A 66 13.351 3.079 1.012 1.00 0.00 O ATOM 945 CB PRO A 66 12.230 4.148 3.703 1.00 0.00 C ATOM 946 CG PRO A 66 10.972 4.043 4.510 1.00 0.00 C ATOM 947 CD PRO A 66 9.820 3.991 3.554 1.00 0.00 C ATOM 0 HA PRO A 66 12.300 5.279 1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.814 3.231 3.777 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.860 4.958 4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.992 3.150 5.134 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.875 4.898 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.476 2.969 3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.967 4.561 3.923 1.00 0.00 H new ATOM 955 N LEU A 67 11.149 2.473 1.018 1.00 0.00 N ATOM 956 CA LEU A 67 11.235 1.254 0.260 1.00 0.00 C ATOM 957 C LEU A 67 12.144 1.444 -0.908 1.00 0.00 C ATOM 958 O LEU A 67 13.178 0.778 -0.988 1.00 0.00 O ATOM 959 CB LEU A 67 9.803 0.825 -0.177 1.00 0.00 C ATOM 960 CG LEU A 67 9.557 -0.643 -0.637 1.00 0.00 C ATOM 961 CD1 LEU A 67 8.075 -0.858 -0.879 1.00 0.00 C ATOM 962 CD2 LEU A 67 10.330 -1.010 -1.899 1.00 0.00 C ATOM 0 H LEU A 67 10.190 2.704 1.279 1.00 0.00 H new ATOM 0 HA LEU A 67 11.657 0.456 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.132 1.024 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.499 1.480 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 67 9.918 -1.290 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.904 -1.885 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.525 -0.670 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.730 -0.173 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.117 -2.044 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.028 -0.353 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.399 -0.895 -1.717 1.00 0.00 H new ATOM 974 N SER A 68 11.814 2.322 -1.801 1.00 0.00 N ATOM 975 CA SER A 68 12.708 2.549 -2.840 1.00 0.00 C ATOM 976 C SER A 68 13.412 3.848 -2.680 1.00 0.00 C ATOM 977 O SER A 68 14.476 3.878 -2.070 1.00 0.00 O ATOM 978 CB SER A 68 12.023 2.449 -4.114 1.00 0.00 C ATOM 979 OG SER A 68 11.367 1.232 -4.190 1.00 0.00 O ATOM 0 H SER A 68 10.953 2.869 -1.816 1.00 0.00 H new ATOM 0 HA SER A 68 13.479 1.779 -2.812 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.310 3.266 -4.221 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.738 2.541 -4.932 1.00 0.00 H new ATOM 0 HG SER A 68 11.995 0.508 -3.986 1.00 0.00 H new ATOM 985 N ARG A 69 12.848 4.958 -3.149 1.00 0.00 N ATOM 986 CA ARG A 69 13.618 6.168 -2.925 1.00 0.00 C ATOM 987 C ARG A 69 12.909 7.284 -2.183 1.00 0.00 C ATOM 988 O ARG A 69 12.865 8.431 -2.640 1.00 0.00 O ATOM 989 CB ARG A 69 14.453 6.588 -4.126 1.00 0.00 C ATOM 990 CG ARG A 69 15.561 7.578 -3.812 1.00 0.00 C ATOM 991 CD ARG A 69 16.681 7.469 -4.828 1.00 0.00 C ATOM 992 NE ARG A 69 17.352 6.157 -4.723 1.00 0.00 N ATOM 993 CZ ARG A 69 18.120 5.584 -5.657 1.00 0.00 C ATOM 994 NH1 ARG A 69 18.221 6.110 -6.863 1.00 0.00 N ATOM 995 NH2 ARG A 69 18.745 4.445 -5.381 1.00 0.00 N ATOM 0 H ARG A 69 11.956 5.045 -3.636 1.00 0.00 H new ATOM 0 HA ARG A 69 14.356 5.875 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 69 14.895 5.698 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 69 13.793 7.027 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.160 8.592 -3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.951 7.390 -2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 69 16.281 7.600 -5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.405 8.268 -4.667 1.00 0.00 H new ATOM 0 HE ARG A 69 17.217 5.638 -3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.710 6.963 -7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.810 5.664 -7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.638 4.014 -4.463 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.332 4.001 -6.087 1.00 0.00 H new ATOM 1009 N LYS A 70 12.201 6.890 -1.127 1.00 0.00 N ATOM 1010 CA LYS A 70 11.532 7.799 -0.159 1.00 0.00 C ATOM 1011 C LYS A 70 10.260 8.435 -0.697 1.00 0.00 C ATOM 1012 O LYS A 70 9.239 8.514 0.008 1.00 0.00 O ATOM 1013 CB LYS A 70 12.480 8.833 0.413 1.00 0.00 C ATOM 1014 CG LYS A 70 13.632 8.267 1.243 1.00 0.00 C ATOM 1015 CD LYS A 70 14.519 9.383 1.797 1.00 0.00 C ATOM 1016 CE LYS A 70 15.161 10.200 0.679 1.00 0.00 C ATOM 1017 NZ LYS A 70 15.988 11.310 1.190 1.00 0.00 N ATOM 0 H LYS A 70 12.064 5.905 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 70 11.218 7.157 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.897 9.415 -0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.909 9.522 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.233 7.674 2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.231 7.595 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.924 10.039 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.298 8.951 2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.778 9.545 0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.380 10.601 0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.400 11.832 0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.396 11.952 1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.751 10.929 1.785 1.00 0.00 H new ATOM 1031 N HIS A 71 10.322 8.875 -1.932 1.00 0.00 N ATOM 1032 CA HIS A 71 9.180 9.437 -2.619 1.00 0.00 C ATOM 1033 C HIS A 71 8.189 8.330 -2.911 1.00 0.00 C ATOM 1034 O HIS A 71 6.989 8.513 -2.787 1.00 0.00 O ATOM 1035 CB HIS A 71 9.598 10.124 -3.936 1.00 0.00 C ATOM 1036 CG HIS A 71 10.464 11.347 -3.783 1.00 0.00 C ATOM 1037 ND1 HIS A 71 11.808 11.368 -4.093 1.00 0.00 N ATOM 1038 CD2 HIS A 71 10.162 12.609 -3.405 1.00 0.00 C ATOM 1039 CE1 HIS A 71 12.279 12.584 -3.911 1.00 0.00 C ATOM 1040 NE2 HIS A 71 11.306 13.349 -3.497 1.00 0.00 N ATOM 0 H HIS A 71 11.173 8.853 -2.494 1.00 0.00 H new ATOM 0 HA HIS A 71 8.725 10.193 -1.979 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.130 9.398 -4.551 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.697 10.404 -4.481 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.193 12.967 -3.088 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.300 12.896 -4.077 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.387 14.342 -3.277 1.00 0.00 H new ATOM 1049 N GLY A 72 8.716 7.167 -3.245 1.00 0.00 N ATOM 1050 CA GLY A 72 7.895 6.042 -3.552 1.00 0.00 C ATOM 1051 C GLY A 72 8.702 4.896 -4.098 1.00 0.00 C ATOM 1052 O GLY A 72 9.941 5.037 -4.319 1.00 0.00 O ATOM 0 H GLY A 72 9.719 6.990 -3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.368 5.720 -2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.137 6.332 -4.280 1.00 0.00 H new ATOM 1056 N GLY A 73 8.049 3.761 -4.246 1.00 0.00 N ATOM 1057 CA GLY A 73 8.690 2.580 -4.788 1.00 0.00 C ATOM 1058 C GLY A 73 7.711 1.453 -5.110 1.00 0.00 C ATOM 1059 O GLY A 73 7.632 0.508 -4.350 1.00 0.00 O ATOM 0 H GLY A 73 7.068 3.631 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.230 2.852 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.429 2.217 -4.074 1.00 0.00 H new ATOM 1063 N PRO A 74 6.956 1.518 -6.219 1.00 0.00 N ATOM 1064 CA PRO A 74 5.934 0.482 -6.557 1.00 0.00 C ATOM 1065 C PRO A 74 6.487 -0.937 -6.846 1.00 0.00 C ATOM 1066 O PRO A 74 5.957 -1.921 -6.367 1.00 0.00 O ATOM 1067 CB PRO A 74 5.289 1.052 -7.813 1.00 0.00 C ATOM 1068 CG PRO A 74 6.325 1.947 -8.386 1.00 0.00 C ATOM 1069 CD PRO A 74 6.960 2.598 -7.208 1.00 0.00 C ATOM 0 HA PRO A 74 5.268 0.318 -5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.015 0.262 -8.513 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.377 1.600 -7.578 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.055 1.385 -8.968 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.883 2.685 -9.055 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.970 2.944 -7.429 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.394 3.465 -6.867 1.00 0.00 H new ATOM 1077 N LYS A 75 7.557 -1.030 -7.585 1.00 0.00 N ATOM 1078 CA LYS A 75 8.165 -2.307 -7.885 1.00 0.00 C ATOM 1079 C LYS A 75 9.559 -2.284 -7.349 1.00 0.00 C ATOM 1080 O LYS A 75 10.403 -3.045 -7.776 1.00 0.00 O ATOM 1081 CB LYS A 75 8.214 -2.576 -9.393 1.00 0.00 C ATOM 1082 CG LYS A 75 9.065 -1.605 -10.210 1.00 0.00 C ATOM 1083 CD LYS A 75 9.283 -2.145 -11.612 1.00 0.00 C ATOM 1084 CE LYS A 75 10.198 -1.258 -12.424 1.00 0.00 C ATOM 1085 NZ LYS A 75 10.464 -1.816 -13.758 1.00 0.00 N ATOM 0 H LYS A 75 8.035 -0.229 -7.998 1.00 0.00 H new ATOM 0 HA LYS A 75 7.569 -3.098 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.593 -3.585 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.196 -2.554 -9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.573 -0.633 -10.260 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.026 -1.451 -9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.708 -3.147 -11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.322 -2.236 -12.119 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.748 -0.271 -12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.140 -1.125 -11.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.095 -1.177 -14.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.917 -2.747 -13.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.568 -1.919 -14.276 1.00 0.00 H new ATOM 1099 N ASP A 76 9.744 -1.455 -6.328 1.00 0.00 N ATOM 1100 CA ASP A 76 11.053 -1.026 -5.882 1.00 0.00 C ATOM 1101 C ASP A 76 11.642 -0.300 -7.038 1.00 0.00 C ATOM 1102 O ASP A 76 12.303 -0.866 -7.901 1.00 0.00 O ATOM 1103 CB ASP A 76 11.988 -2.120 -5.336 1.00 0.00 C ATOM 1104 CG ASP A 76 13.326 -1.533 -4.894 1.00 0.00 C ATOM 1105 OD1 ASP A 76 13.375 -0.845 -3.849 1.00 0.00 O ATOM 1106 OD2 ASP A 76 14.345 -1.738 -5.590 1.00 0.00 O ATOM 0 H ASP A 76 8.977 -1.060 -5.784 1.00 0.00 H new ATOM 0 HA ASP A 76 10.933 -0.399 -4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.512 -2.622 -4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.155 -2.875 -6.104 1.00 0.00 H new ATOM 1111 N GLU A 77 11.299 0.945 -7.102 1.00 0.00 N ATOM 1112 CA GLU A 77 11.499 1.715 -8.294 1.00 0.00 C ATOM 1113 C GLU A 77 12.357 2.940 -8.096 1.00 0.00 C ATOM 1114 O GLU A 77 13.147 3.221 -8.911 1.00 0.00 O ATOM 1115 CB GLU A 77 10.125 2.169 -8.789 1.00 0.00 C ATOM 1116 CG GLU A 77 10.109 2.916 -10.116 1.00 0.00 C ATOM 1117 CD GLU A 77 10.393 2.031 -11.296 1.00 0.00 C ATOM 1118 OE1 GLU A 77 11.564 1.615 -11.484 1.00 0.00 O ATOM 1119 OE2 GLU A 77 9.450 1.747 -12.064 1.00 0.00 O ATOM 0 H GLU A 77 10.872 1.460 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 77 12.022 1.078 -9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.485 1.291 -8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.680 2.810 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.135 3.387 -10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.848 3.717 -10.084 1.00 0.00 H new ATOM 1126 N GLU A 78 12.246 3.583 -6.959 1.00 0.00 N ATOM 1127 CA GLU A 78 12.713 4.973 -6.781 1.00 0.00 C ATOM 1128 C GLU A 78 11.696 5.859 -7.431 1.00 0.00 C ATOM 1129 O GLU A 78 11.495 5.804 -8.655 1.00 0.00 O ATOM 1130 CB GLU A 78 14.137 5.283 -7.362 1.00 0.00 C ATOM 1131 CG GLU A 78 14.369 6.768 -7.681 1.00 0.00 C ATOM 1132 CD GLU A 78 15.637 7.020 -8.432 1.00 0.00 C ATOM 1133 OE1 GLU A 78 15.835 6.418 -9.499 1.00 0.00 O ATOM 1134 OE2 GLU A 78 16.472 7.812 -7.965 1.00 0.00 O ATOM 0 H GLU A 78 11.833 3.175 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 78 12.815 5.149 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.890 4.953 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.283 4.699 -8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.528 7.143 -8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.388 7.334 -6.750 1.00 0.00 H new ATOM 1141 N ARG A 79 11.010 6.616 -6.591 1.00 0.00 N ATOM 1142 CA ARG A 79 9.986 7.539 -7.004 1.00 0.00 C ATOM 1143 C ARG A 79 8.729 6.781 -7.378 1.00 0.00 C ATOM 1144 O ARG A 79 8.638 5.553 -7.162 1.00 0.00 O ATOM 1145 CB ARG A 79 10.455 8.461 -8.150 1.00 0.00 C ATOM 1146 CG ARG A 79 11.591 9.396 -7.790 1.00 0.00 C ATOM 1147 CD ARG A 79 12.114 10.134 -9.016 1.00 0.00 C ATOM 1148 NE ARG A 79 11.053 10.851 -9.744 1.00 0.00 N ATOM 1149 CZ ARG A 79 11.187 12.056 -10.317 1.00 0.00 C ATOM 1150 NH1 ARG A 79 12.350 12.708 -10.255 1.00 0.00 N ATOM 1151 NH2 ARG A 79 10.158 12.598 -10.964 1.00 0.00 N ATOM 0 H ARG A 79 11.159 6.600 -5.582 1.00 0.00 H new ATOM 0 HA ARG A 79 9.763 8.193 -6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.766 7.842 -8.991 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.607 9.056 -8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.249 10.117 -7.048 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.401 8.828 -7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.881 10.844 -8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.592 9.421 -9.688 1.00 0.00 H new ATOM 0 HE ARG A 79 10.144 10.395 -9.818 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.144 12.290 -9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.445 13.624 -10.693 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.271 12.097 -11.023 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.256 13.514 -11.401 1.00 0.00 H new ATOM 1165 N HIS A 80 7.773 7.529 -7.867 1.00 0.00 N ATOM 1166 CA HIS A 80 6.426 7.054 -8.283 1.00 0.00 C ATOM 1167 C HIS A 80 5.625 6.809 -7.016 1.00 0.00 C ATOM 1168 O HIS A 80 6.184 6.790 -5.925 1.00 0.00 O ATOM 1169 CB HIS A 80 6.519 5.743 -9.169 1.00 0.00 C ATOM 1170 CG HIS A 80 5.220 5.184 -9.782 1.00 0.00 C ATOM 1171 ND1 HIS A 80 4.313 4.367 -9.102 1.00 0.00 N ATOM 1172 CD2 HIS A 80 4.734 5.271 -11.045 1.00 0.00 C ATOM 1173 CE1 HIS A 80 3.356 3.991 -9.927 1.00 0.00 C ATOM 1174 NE2 HIS A 80 3.587 4.524 -11.101 1.00 0.00 N ATOM 0 H HIS A 80 7.891 8.533 -8.002 1.00 0.00 H new ATOM 0 HA HIS A 80 5.937 7.804 -8.905 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.214 5.941 -9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.963 4.958 -8.556 1.00 0.00 H new ATOM 0 HD1 HIS A 80 4.381 4.102 -8.119 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.172 5.829 -11.860 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.522 3.352 -9.677 1.00 0.00 H new ATOM 1183 N VAL A 81 4.339 6.719 -7.113 1.00 0.00 N ATOM 1184 CA VAL A 81 3.574 6.333 -5.961 1.00 0.00 C ATOM 1185 C VAL A 81 3.987 4.912 -5.537 1.00 0.00 C ATOM 1186 O VAL A 81 3.969 4.004 -6.358 1.00 0.00 O ATOM 1187 CB VAL A 81 2.016 6.444 -6.206 1.00 0.00 C ATOM 1188 CG1 VAL A 81 1.577 5.705 -7.457 1.00 0.00 C ATOM 1189 CG2 VAL A 81 1.232 5.926 -5.012 1.00 0.00 C ATOM 0 H VAL A 81 3.799 6.902 -7.959 1.00 0.00 H new ATOM 0 HA VAL A 81 3.793 7.028 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 81 1.803 7.504 -6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.499 5.810 -7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.086 6.124 -8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.830 4.649 -7.363 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.164 6.016 -5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.482 4.879 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.487 6.511 -4.128 1.00 0.00 H new ATOM 1199 N GLY A 82 4.574 4.790 -4.334 1.00 0.00 N ATOM 1200 CA GLY A 82 4.793 3.483 -3.768 1.00 0.00 C ATOM 1201 C GLY A 82 3.480 2.773 -3.662 1.00 0.00 C ATOM 1202 O GLY A 82 2.568 3.248 -2.959 1.00 0.00 O ATOM 0 H GLY A 82 4.893 5.571 -3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.480 2.912 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.254 3.571 -2.784 1.00 0.00 H new ATOM 1206 N ASP A 83 3.364 1.673 -4.341 1.00 0.00 N ATOM 1207 CA ASP A 83 2.116 0.976 -4.453 1.00 0.00 C ATOM 1208 C ASP A 83 2.341 -0.346 -5.094 1.00 0.00 C ATOM 1209 O ASP A 83 3.298 -0.514 -5.818 1.00 0.00 O ATOM 1210 CB ASP A 83 1.141 1.749 -5.389 1.00 0.00 C ATOM 1211 CG ASP A 83 1.280 1.433 -6.907 1.00 0.00 C ATOM 1212 OD1 ASP A 83 0.626 0.470 -7.392 1.00 0.00 O ATOM 1213 OD2 ASP A 83 2.000 2.159 -7.647 1.00 0.00 O ATOM 0 H ASP A 83 4.137 1.229 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 83 1.700 0.878 -3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.119 1.529 -5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.295 2.818 -5.242 1.00 0.00 H new ATOM 1218 N LEU A 84 1.529 -1.293 -4.765 1.00 0.00 N ATOM 1219 CA LEU A 84 1.380 -2.427 -5.635 1.00 0.00 C ATOM 1220 C LEU A 84 -0.104 -2.689 -5.700 1.00 0.00 C ATOM 1221 O LEU A 84 -0.643 -3.450 -4.893 1.00 0.00 O ATOM 1222 CB LEU A 84 2.087 -3.718 -5.114 1.00 0.00 C ATOM 1223 CG LEU A 84 3.617 -3.737 -4.907 1.00 0.00 C ATOM 1224 CD1 LEU A 84 4.040 -2.965 -3.659 1.00 0.00 C ATOM 1225 CD2 LEU A 84 4.107 -5.173 -4.831 1.00 0.00 C ATOM 0 H LEU A 84 0.964 -1.313 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 84 1.839 -2.200 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.629 -3.974 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.845 -4.522 -5.809 1.00 0.00 H new ATOM 0 HG LEU A 84 4.073 -3.238 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.124 -3.007 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.724 -1.926 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.574 -3.411 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.187 -5.182 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.624 -5.679 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.862 -5.691 -5.759 1.00 0.00 H new ATOM 1237 N GLY A 85 -0.795 -1.983 -6.563 1.00 0.00 N ATOM 1238 CA GLY A 85 -2.184 -2.246 -6.713 1.00 0.00 C ATOM 1239 C GLY A 85 -2.914 -1.273 -7.601 1.00 0.00 C ATOM 1240 O GLY A 85 -2.549 -0.104 -7.692 1.00 0.00 O ATOM 0 H GLY A 85 -0.419 -1.241 -7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.309 -3.251 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.650 -2.239 -5.728 1.00 0.00 H new ATOM 1244 N ASN A 86 -3.990 -1.724 -8.172 1.00 0.00 N ATOM 1245 CA ASN A 86 -4.925 -0.856 -8.887 1.00 0.00 C ATOM 1246 C ASN A 86 -6.303 -1.175 -8.339 1.00 0.00 C ATOM 1247 O ASN A 86 -6.691 -2.337 -8.343 1.00 0.00 O ATOM 1248 CB ASN A 86 -4.880 -1.124 -10.402 1.00 0.00 C ATOM 1249 CG ASN A 86 -5.883 -0.288 -11.188 1.00 0.00 C ATOM 1250 OD1 ASN A 86 -6.238 0.812 -10.796 1.00 0.00 O ATOM 1251 ND2 ASN A 86 -6.324 -0.797 -12.310 1.00 0.00 N ATOM 0 H ASN A 86 -4.261 -2.707 -8.165 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.668 0.193 -8.743 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.876 -0.918 -10.772 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.076 -2.181 -10.584 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.983 -0.272 -12.884 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.008 -1.719 -12.611 1.00 0.00 H new ATOM 1258 N VAL A 87 -7.063 -0.158 -7.900 1.00 0.00 N ATOM 1259 CA VAL A 87 -8.337 -0.392 -7.231 1.00 0.00 C ATOM 1260 C VAL A 87 -9.408 0.493 -7.841 1.00 0.00 C ATOM 1261 O VAL A 87 -9.132 1.619 -8.280 1.00 0.00 O ATOM 1262 CB VAL A 87 -8.294 -0.150 -5.665 1.00 0.00 C ATOM 1263 CG1 VAL A 87 -7.168 -0.859 -4.974 1.00 0.00 C ATOM 1264 CG2 VAL A 87 -8.362 1.315 -5.264 1.00 0.00 C ATOM 0 H VAL A 87 -6.812 0.826 -7.999 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.567 -1.447 -7.380 1.00 0.00 H new ATOM 0 HB VAL A 87 -9.216 -0.609 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.205 -0.645 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.263 -1.933 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.217 -0.515 -5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.327 1.397 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -7.516 1.850 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.292 1.750 -5.631 1.00 0.00 H new ATOM 1274 N THR A 88 -10.585 -0.032 -7.938 1.00 0.00 N ATOM 1275 CA THR A 88 -11.707 0.665 -8.482 1.00 0.00 C ATOM 1276 C THR A 88 -12.972 0.301 -7.693 1.00 0.00 C ATOM 1277 O THR A 88 -13.559 -0.761 -7.898 1.00 0.00 O ATOM 1278 CB THR A 88 -11.859 0.350 -9.984 1.00 0.00 C ATOM 1279 OG1 THR A 88 -10.619 0.665 -10.650 1.00 0.00 O ATOM 1280 CG2 THR A 88 -12.953 1.173 -10.610 1.00 0.00 C ATOM 0 H THR A 88 -10.800 -0.982 -7.634 1.00 0.00 H new ATOM 0 HA THR A 88 -11.548 1.739 -8.391 1.00 0.00 H new ATOM 0 HB THR A 88 -12.111 -0.705 -10.089 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.702 0.468 -11.606 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.033 0.926 -11.669 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.899 0.957 -10.114 1.00 0.00 H new ATOM 0 HG23 THR A 88 -12.719 2.232 -10.501 1.00 0.00 H new ATOM 1288 N ALA A 89 -13.310 1.126 -6.752 1.00 0.00 N ATOM 1289 CA ALA A 89 -14.494 0.977 -5.936 1.00 0.00 C ATOM 1290 C ALA A 89 -15.088 2.328 -5.806 1.00 0.00 C ATOM 1291 O ALA A 89 -14.402 3.229 -6.025 1.00 0.00 O ATOM 1292 CB ALA A 89 -14.120 0.492 -4.599 1.00 0.00 C ATOM 0 H ALA A 89 -12.758 1.951 -6.516 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.190 0.268 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -15.016 0.382 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.621 -0.473 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.446 1.207 -4.128 1.00 0.00 H new ATOM 1298 N ASP A 90 -16.318 2.434 -5.579 1.00 0.00 N ATOM 1299 CA ASP A 90 -16.977 3.779 -5.418 1.00 0.00 C ATOM 1300 C ASP A 90 -18.403 3.593 -5.156 1.00 0.00 C ATOM 1301 O ASP A 90 -19.066 4.400 -4.507 1.00 0.00 O ATOM 1302 CB ASP A 90 -16.827 4.712 -6.656 1.00 0.00 C ATOM 1303 CG ASP A 90 -17.515 4.219 -7.918 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -17.000 3.279 -8.564 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -18.577 4.764 -8.285 1.00 0.00 O ATOM 0 H ASP A 90 -16.952 1.640 -5.488 1.00 0.00 H new ATOM 0 HA ASP A 90 -16.468 4.264 -4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -17.226 5.694 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -15.766 4.844 -6.866 1.00 0.00 H new ATOM 1310 N LYS A 91 -18.856 2.530 -5.645 1.00 0.00 N ATOM 1311 CA LYS A 91 -20.250 2.168 -5.552 1.00 0.00 C ATOM 1312 C LYS A 91 -20.581 1.649 -4.181 1.00 0.00 C ATOM 1313 O LYS A 91 -21.518 2.112 -3.545 1.00 0.00 O ATOM 1314 CB LYS A 91 -20.627 1.127 -6.614 1.00 0.00 C ATOM 1315 CG LYS A 91 -22.067 0.654 -6.517 1.00 0.00 C ATOM 1316 CD LYS A 91 -22.386 -0.406 -7.544 1.00 0.00 C ATOM 1317 CE LYS A 91 -23.807 -0.897 -7.364 1.00 0.00 C ATOM 1318 NZ LYS A 91 -24.183 -1.910 -8.356 1.00 0.00 N ATOM 0 H LYS A 91 -18.282 1.848 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 91 -20.834 3.071 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -20.459 1.552 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -19.964 0.267 -6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -22.252 0.258 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.737 1.503 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -22.258 -0.001 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -21.690 -1.239 -7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -23.919 -1.314 -6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -24.492 -0.052 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -25.164 -2.212 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -24.103 -1.507 -9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -23.549 -2.730 -8.272 1.00 0.00 H new ATOM 1332 N ASP A 92 -19.790 0.730 -3.716 1.00 0.00 N ATOM 1333 CA ASP A 92 -20.060 0.068 -2.457 1.00 0.00 C ATOM 1334 C ASP A 92 -18.811 0.019 -1.594 1.00 0.00 C ATOM 1335 O ASP A 92 -18.845 -0.421 -0.450 1.00 0.00 O ATOM 1336 CB ASP A 92 -20.616 -1.338 -2.723 1.00 0.00 C ATOM 1337 CG ASP A 92 -20.944 -2.107 -1.466 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -21.729 -1.616 -0.634 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -20.416 -3.224 -1.277 1.00 0.00 O ATOM 0 H ASP A 92 -18.943 0.413 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 92 -20.809 0.637 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -21.516 -1.254 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -19.888 -1.903 -3.305 1.00 0.00 H new ATOM 1344 N GLY A 93 -17.722 0.547 -2.123 1.00 0.00 N ATOM 1345 CA GLY A 93 -16.472 0.495 -1.407 1.00 0.00 C ATOM 1346 C GLY A 93 -15.989 -0.924 -1.345 1.00 0.00 C ATOM 1347 O GLY A 93 -16.001 -1.544 -0.300 1.00 0.00 O ATOM 0 H GLY A 93 -17.682 1.009 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.730 1.121 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.601 0.891 -0.400 1.00 0.00 H new ATOM 1351 N VAL A 94 -15.657 -1.450 -2.499 1.00 0.00 N ATOM 1352 CA VAL A 94 -15.183 -2.795 -2.683 1.00 0.00 C ATOM 1353 C VAL A 94 -14.271 -2.778 -3.871 1.00 0.00 C ATOM 1354 O VAL A 94 -14.733 -2.660 -5.003 1.00 0.00 O ATOM 1355 CB VAL A 94 -16.303 -3.822 -3.043 1.00 0.00 C ATOM 1356 CG1 VAL A 94 -15.759 -5.246 -3.044 1.00 0.00 C ATOM 1357 CG2 VAL A 94 -17.506 -3.715 -2.156 1.00 0.00 C ATOM 0 H VAL A 94 -15.713 -0.927 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.723 -3.099 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.635 -3.571 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -16.559 -5.941 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -14.959 -5.329 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.369 -5.487 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.247 -4.455 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -17.213 -3.896 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -17.934 -2.716 -2.242 1.00 0.00 H new ATOM 1367 N ALA A 95 -13.021 -2.840 -3.649 1.00 0.00 N ATOM 1368 CA ALA A 95 -12.116 -2.948 -4.712 1.00 0.00 C ATOM 1369 C ALA A 95 -11.554 -4.308 -4.641 1.00 0.00 C ATOM 1370 O ALA A 95 -10.996 -4.704 -3.618 1.00 0.00 O ATOM 1371 CB ALA A 95 -11.038 -1.902 -4.650 1.00 0.00 C ATOM 0 H ALA A 95 -12.596 -2.817 -2.722 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.622 -2.780 -5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.361 -2.027 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.490 -0.911 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.480 -2.009 -3.719 1.00 0.00 H new ATOM 1377 N ASP A 96 -11.760 -5.038 -5.663 1.00 0.00 N ATOM 1378 CA ASP A 96 -11.307 -6.392 -5.700 1.00 0.00 C ATOM 1379 C ASP A 96 -10.234 -6.446 -6.732 1.00 0.00 C ATOM 1380 O ASP A 96 -10.482 -6.197 -7.914 1.00 0.00 O ATOM 1381 CB ASP A 96 -12.457 -7.328 -6.032 1.00 0.00 C ATOM 1382 CG ASP A 96 -12.123 -8.759 -5.740 1.00 0.00 C ATOM 1383 OD1 ASP A 96 -12.276 -9.185 -4.575 1.00 0.00 O ATOM 1384 OD2 ASP A 96 -11.711 -9.493 -6.662 1.00 0.00 O ATOM 0 H ASP A 96 -12.246 -4.727 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.921 -6.715 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.337 -7.038 -5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -12.715 -7.224 -7.086 1.00 0.00 H new ATOM 1389 N VAL A 97 -9.045 -6.689 -6.299 1.00 0.00 N ATOM 1390 CA VAL A 97 -7.899 -6.532 -7.146 1.00 0.00 C ATOM 1391 C VAL A 97 -7.213 -7.826 -7.521 1.00 0.00 C ATOM 1392 O VAL A 97 -7.227 -8.803 -6.772 1.00 0.00 O ATOM 1393 CB VAL A 97 -6.852 -5.572 -6.513 1.00 0.00 C ATOM 1394 CG1 VAL A 97 -7.487 -4.261 -6.139 1.00 0.00 C ATOM 1395 CG2 VAL A 97 -6.169 -6.185 -5.298 1.00 0.00 C ATOM 0 H VAL A 97 -8.833 -7.002 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.301 -6.105 -8.065 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.087 -5.397 -7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.736 -3.606 -5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.901 -3.790 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.285 -4.436 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.447 -5.477 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.916 -6.418 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.654 -7.099 -5.593 1.00 0.00 H new ATOM 1405 N SER A 98 -6.713 -7.831 -8.713 1.00 0.00 N ATOM 1406 CA SER A 98 -5.796 -8.800 -9.178 1.00 0.00 C ATOM 1407 C SER A 98 -4.864 -8.030 -10.051 1.00 0.00 C ATOM 1408 O SER A 98 -5.214 -7.630 -11.165 1.00 0.00 O ATOM 1409 CB SER A 98 -6.459 -9.896 -9.982 1.00 0.00 C ATOM 1410 OG SER A 98 -5.572 -10.986 -10.191 1.00 0.00 O ATOM 0 H SER A 98 -6.947 -7.127 -9.413 1.00 0.00 H new ATOM 0 HA SER A 98 -5.307 -9.305 -8.345 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.351 -10.244 -9.461 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.785 -9.499 -10.943 1.00 0.00 H new ATOM 0 HG SER A 98 -5.855 -11.748 -9.643 1.00 0.00 H new ATOM 1416 N ILE A 99 -3.732 -7.742 -9.538 1.00 0.00 N ATOM 1417 CA ILE A 99 -2.788 -6.941 -10.243 1.00 0.00 C ATOM 1418 C ILE A 99 -1.559 -7.708 -10.515 1.00 0.00 C ATOM 1419 O ILE A 99 -1.428 -8.853 -10.083 1.00 0.00 O ATOM 1420 CB ILE A 99 -2.421 -5.591 -9.553 1.00 0.00 C ATOM 1421 CG1 ILE A 99 -1.779 -5.761 -8.134 1.00 0.00 C ATOM 1422 CG2 ILE A 99 -3.628 -4.673 -9.515 1.00 0.00 C ATOM 1423 CD1 ILE A 99 -2.715 -6.209 -7.015 1.00 0.00 C ATOM 0 H ILE A 99 -3.424 -8.051 -8.616 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.290 -6.673 -11.173 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.645 -5.130 -10.164 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.967 -6.485 -8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.332 -4.810 -7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.357 -3.735 -9.031 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.965 -4.472 -10.532 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.431 -5.151 -8.955 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.155 -6.291 -6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.515 -5.478 -6.895 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.144 -7.179 -7.266 1.00 0.00 H new ATOM 1435 N GLU A 100 -0.716 -7.127 -11.294 1.00 0.00 N ATOM 1436 CA GLU A 100 0.547 -7.683 -11.600 1.00 0.00 C ATOM 1437 C GLU A 100 1.604 -6.571 -11.644 1.00 0.00 C ATOM 1438 O GLU A 100 1.552 -5.666 -12.478 1.00 0.00 O ATOM 1439 CB GLU A 100 0.488 -8.482 -12.908 1.00 0.00 C ATOM 1440 CG GLU A 100 -0.096 -7.723 -14.093 1.00 0.00 C ATOM 1441 CD GLU A 100 0.097 -8.451 -15.385 1.00 0.00 C ATOM 1442 OE1 GLU A 100 -0.670 -9.389 -15.681 1.00 0.00 O ATOM 1443 OE2 GLU A 100 1.036 -8.114 -16.128 1.00 0.00 O ATOM 0 H GLU A 100 -0.894 -6.230 -11.745 1.00 0.00 H new ATOM 0 HA GLU A 100 0.833 -8.386 -10.817 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.496 -8.808 -13.164 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.105 -9.381 -12.742 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.161 -7.558 -13.927 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.372 -6.741 -14.159 1.00 0.00 H new ATOM 1450 N ASP A 101 2.500 -6.596 -10.704 1.00 0.00 N ATOM 1451 CA ASP A 101 3.593 -5.626 -10.652 1.00 0.00 C ATOM 1452 C ASP A 101 4.861 -6.420 -10.475 1.00 0.00 C ATOM 1453 O ASP A 101 4.770 -7.623 -10.234 1.00 0.00 O ATOM 1454 CB ASP A 101 3.421 -4.604 -9.522 1.00 0.00 C ATOM 1455 CG ASP A 101 3.995 -3.250 -9.914 1.00 0.00 C ATOM 1456 OD1 ASP A 101 5.209 -3.158 -10.230 1.00 0.00 O ATOM 1457 OD2 ASP A 101 3.216 -2.262 -9.979 1.00 0.00 O ATOM 0 H ASP A 101 2.509 -7.279 -9.947 1.00 0.00 H new ATOM 0 HA ASP A 101 3.613 -5.039 -11.570 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.363 -4.498 -9.282 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.918 -4.966 -8.622 1.00 0.00 H new ATOM 1462 N SER A 102 6.017 -5.825 -10.620 1.00 0.00 N ATOM 1463 CA SER A 102 7.232 -6.608 -10.578 1.00 0.00 C ATOM 1464 C SER A 102 7.589 -7.007 -9.135 1.00 0.00 C ATOM 1465 O SER A 102 7.800 -6.154 -8.286 1.00 0.00 O ATOM 1466 CB SER A 102 8.373 -5.866 -11.259 1.00 0.00 C ATOM 1467 OG SER A 102 8.007 -5.501 -12.585 1.00 0.00 O ATOM 0 H SER A 102 6.146 -4.824 -10.765 1.00 0.00 H new ATOM 0 HA SER A 102 7.062 -7.532 -11.131 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.628 -4.974 -10.687 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.263 -6.495 -11.281 1.00 0.00 H new ATOM 0 HG SER A 102 8.750 -5.023 -13.010 1.00 0.00 H new ATOM 1473 N VAL A 103 7.726 -8.332 -8.928 1.00 0.00 N ATOM 1474 CA VAL A 103 7.976 -9.007 -7.612 1.00 0.00 C ATOM 1475 C VAL A 103 9.208 -8.516 -6.876 1.00 0.00 C ATOM 1476 O VAL A 103 9.432 -8.892 -5.730 1.00 0.00 O ATOM 1477 CB VAL A 103 8.110 -10.542 -7.753 1.00 0.00 C ATOM 1478 CG1 VAL A 103 6.841 -11.192 -8.248 1.00 0.00 C ATOM 1479 CG2 VAL A 103 9.283 -10.894 -8.637 1.00 0.00 C ATOM 0 H VAL A 103 7.665 -9.000 -9.697 1.00 0.00 H new ATOM 0 HA VAL A 103 7.093 -8.744 -7.029 1.00 0.00 H new ATOM 0 HB VAL A 103 8.293 -10.941 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.991 -12.269 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.031 -10.990 -7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.583 -10.788 -9.227 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.361 -11.978 -8.724 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.136 -10.460 -9.626 1.00 0.00 H new ATOM 0 HG23 VAL A 103 10.200 -10.498 -8.200 1.00 0.00 H new ATOM 1489 N ILE A 104 10.040 -7.763 -7.540 1.00 0.00 N ATOM 1490 CA ILE A 104 11.219 -7.238 -6.922 1.00 0.00 C ATOM 1491 C ILE A 104 10.862 -6.218 -5.817 1.00 0.00 C ATOM 1492 O ILE A 104 11.720 -5.838 -5.006 1.00 0.00 O ATOM 1493 CB ILE A 104 12.216 -6.665 -7.964 1.00 0.00 C ATOM 1494 CG1 ILE A 104 11.541 -5.617 -8.857 1.00 0.00 C ATOM 1495 CG2 ILE A 104 12.784 -7.801 -8.811 1.00 0.00 C ATOM 1496 CD1 ILE A 104 12.464 -4.974 -9.879 1.00 0.00 C ATOM 0 H ILE A 104 9.919 -7.499 -8.518 1.00 0.00 H new ATOM 0 HA ILE A 104 11.735 -8.066 -6.436 1.00 0.00 H new ATOM 0 HB ILE A 104 13.029 -6.173 -7.431 1.00 0.00 H new ATOM 0 HG12 ILE A 104 10.709 -6.086 -9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 104 11.119 -4.836 -8.224 1.00 0.00 H new ATOM 0 HG21 ILE A 104 13.484 -7.395 -9.542 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.303 -8.511 -8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 104 11.971 -8.309 -9.330 1.00 0.00 H new ATOM 0 HD11 ILE A 104 11.905 -4.246 -10.467 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.283 -4.472 -9.364 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.867 -5.742 -10.540 1.00 0.00 H new ATOM 1508 N SER A 105 9.603 -5.789 -5.783 1.00 0.00 N ATOM 1509 CA SER A 105 9.119 -4.967 -4.700 1.00 0.00 C ATOM 1510 C SER A 105 8.657 -5.750 -3.490 1.00 0.00 C ATOM 1511 O SER A 105 7.512 -6.201 -3.401 1.00 0.00 O ATOM 1512 CB SER A 105 8.030 -4.018 -5.134 1.00 0.00 C ATOM 1513 OG SER A 105 7.096 -4.645 -5.987 1.00 0.00 O ATOM 0 H SER A 105 8.907 -6.002 -6.497 1.00 0.00 H new ATOM 0 HA SER A 105 9.993 -4.389 -4.399 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.516 -3.629 -4.255 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.475 -3.165 -5.647 1.00 0.00 H new ATOM 0 HG SER A 105 7.038 -5.598 -5.765 1.00 0.00 H new ATOM 1519 N LEU A 106 9.565 -5.990 -2.608 1.00 0.00 N ATOM 1520 CA LEU A 106 9.218 -6.424 -1.319 1.00 0.00 C ATOM 1521 C LEU A 106 8.567 -5.231 -0.657 1.00 0.00 C ATOM 1522 O LEU A 106 9.167 -4.152 -0.599 1.00 0.00 O ATOM 1523 CB LEU A 106 10.461 -6.914 -0.514 1.00 0.00 C ATOM 1524 CG LEU A 106 11.559 -5.891 -0.125 1.00 0.00 C ATOM 1525 CD1 LEU A 106 12.552 -6.547 0.795 1.00 0.00 C ATOM 1526 CD2 LEU A 106 12.296 -5.339 -1.340 1.00 0.00 C ATOM 0 H LEU A 106 10.567 -5.888 -2.770 1.00 0.00 H new ATOM 0 HA LEU A 106 8.547 -7.282 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.097 -7.371 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.938 -7.703 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 106 11.064 -5.056 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.324 -5.828 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.042 -6.892 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.010 -7.397 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.054 -4.627 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.774 -6.157 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.587 -4.837 -1.999 1.00 0.00 H new ATOM 1538 N SER A 107 7.332 -5.370 -0.269 1.00 0.00 N ATOM 1539 CA SER A 107 6.638 -4.283 0.349 1.00 0.00 C ATOM 1540 C SER A 107 7.177 -4.152 1.767 1.00 0.00 C ATOM 1541 O SER A 107 6.722 -4.816 2.693 1.00 0.00 O ATOM 1542 CB SER A 107 5.111 -4.576 0.313 1.00 0.00 C ATOM 1543 OG SER A 107 4.290 -3.474 0.683 1.00 0.00 O ATOM 0 H SER A 107 6.787 -6.226 -0.371 1.00 0.00 H new ATOM 0 HA SER A 107 6.794 -3.339 -0.172 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.839 -4.894 -0.693 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.898 -5.411 0.980 1.00 0.00 H new ATOM 0 HG SER A 107 4.845 -2.673 0.788 1.00 0.00 H new ATOM 1549 N GLY A 108 8.240 -3.388 1.880 1.00 0.00 N ATOM 1550 CA GLY A 108 8.847 -3.130 3.121 1.00 0.00 C ATOM 1551 C GLY A 108 10.239 -2.605 2.976 1.00 0.00 C ATOM 1552 O GLY A 108 10.999 -3.079 2.143 1.00 0.00 O ATOM 0 H GLY A 108 8.696 -2.933 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.245 -2.409 3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 108 8.867 -4.047 3.710 1.00 0.00 H new ATOM 1556 N ASP A 109 10.569 -1.599 3.761 1.00 0.00 N ATOM 1557 CA ASP A 109 11.926 -1.055 3.765 1.00 0.00 C ATOM 1558 C ASP A 109 12.830 -1.875 4.664 1.00 0.00 C ATOM 1559 O ASP A 109 13.655 -2.641 4.186 1.00 0.00 O ATOM 1560 CB ASP A 109 11.959 0.413 4.192 1.00 0.00 C ATOM 1561 CG ASP A 109 13.381 0.942 4.328 1.00 0.00 C ATOM 1562 OD1 ASP A 109 14.024 1.225 3.313 1.00 0.00 O ATOM 1563 OD2 ASP A 109 13.861 1.094 5.453 1.00 0.00 O ATOM 0 H ASP A 109 9.925 -1.139 4.404 1.00 0.00 H new ATOM 0 HA ASP A 109 12.292 -1.110 2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.418 1.014 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 109 11.439 0.524 5.144 1.00 0.00 H new ATOM 1568 N HIS A 110 12.660 -1.734 5.972 1.00 0.00 N ATOM 1569 CA HIS A 110 13.474 -2.501 6.909 1.00 0.00 C ATOM 1570 C HIS A 110 12.866 -3.833 7.200 1.00 0.00 C ATOM 1571 O HIS A 110 13.537 -4.741 7.663 1.00 0.00 O ATOM 1572 CB HIS A 110 13.782 -1.737 8.199 1.00 0.00 C ATOM 1573 CG HIS A 110 14.867 -0.723 8.035 1.00 0.00 C ATOM 1574 ND1 HIS A 110 14.685 0.625 8.211 1.00 0.00 N ATOM 1575 CD2 HIS A 110 16.173 -0.882 7.728 1.00 0.00 C ATOM 1576 CE1 HIS A 110 15.828 1.248 8.019 1.00 0.00 C ATOM 1577 NE2 HIS A 110 16.742 0.353 7.727 1.00 0.00 N ATOM 0 H HIS A 110 11.980 -1.108 6.404 1.00 0.00 H new ATOM 0 HA HIS A 110 14.431 -2.667 6.414 1.00 0.00 H new ATOM 0 HB2 HIS A 110 12.876 -1.238 8.544 1.00 0.00 H new ATOM 0 HB3 HIS A 110 14.070 -2.447 8.974 1.00 0.00 H new ATOM 0 HD2 HIS A 110 16.673 -1.817 7.522 1.00 0.00 H new ATOM 0 HE1 HIS A 110 15.987 2.314 8.090 1.00 0.00 H new ATOM 0 HE2 HIS A 110 17.723 0.552 7.531 1.00 0.00 H new ATOM 1586 N SER A 111 11.601 -3.948 6.938 1.00 0.00 N ATOM 1587 CA SER A 111 10.915 -5.168 7.069 1.00 0.00 C ATOM 1588 C SER A 111 9.701 -5.042 6.233 1.00 0.00 C ATOM 1589 O SER A 111 9.333 -3.932 5.866 1.00 0.00 O ATOM 1590 CB SER A 111 10.546 -5.467 8.533 1.00 0.00 C ATOM 1591 OG SER A 111 9.806 -6.677 8.639 1.00 0.00 O ATOM 0 H SER A 111 11.017 -3.174 6.622 1.00 0.00 H new ATOM 0 HA SER A 111 11.542 -6.000 6.748 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.454 -5.539 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.960 -4.642 8.939 1.00 0.00 H new ATOM 0 HG SER A 111 10.103 -7.174 9.429 1.00 0.00 H new ATOM 1597 N ILE A 112 9.104 -6.136 5.951 1.00 0.00 N ATOM 1598 CA ILE A 112 7.959 -6.256 5.151 1.00 0.00 C ATOM 1599 C ILE A 112 6.772 -6.504 6.045 1.00 0.00 C ATOM 1600 O ILE A 112 5.659 -6.366 5.629 1.00 0.00 O ATOM 1601 CB ILE A 112 8.157 -7.423 4.141 1.00 0.00 C ATOM 1602 CG1 ILE A 112 8.650 -8.694 4.881 1.00 0.00 C ATOM 1603 CG2 ILE A 112 9.137 -7.015 3.041 1.00 0.00 C ATOM 1604 CD1 ILE A 112 9.026 -9.850 3.985 1.00 0.00 C ATOM 0 H ILE A 112 9.432 -7.036 6.302 1.00 0.00 H new ATOM 0 HA ILE A 112 7.787 -5.342 4.583 1.00 0.00 H new ATOM 0 HB ILE A 112 7.199 -7.650 3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.515 -8.429 5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.868 -9.024 5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.265 -7.842 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.746 -6.148 2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.100 -6.764 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.358 -10.690 4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.160 -10.149 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.832 -9.546 3.318 1.00 0.00 H new ATOM 1616 N ILE A 113 7.044 -6.905 7.288 1.00 0.00 N ATOM 1617 CA ILE A 113 5.997 -7.135 8.265 1.00 0.00 C ATOM 1618 C ILE A 113 5.942 -5.980 9.256 1.00 0.00 C ATOM 1619 O ILE A 113 6.975 -5.413 9.595 1.00 0.00 O ATOM 1620 CB ILE A 113 6.168 -8.482 9.040 1.00 0.00 C ATOM 1621 CG1 ILE A 113 7.448 -8.480 9.892 1.00 0.00 C ATOM 1622 CG2 ILE A 113 6.190 -9.652 8.064 1.00 0.00 C ATOM 1623 CD1 ILE A 113 7.626 -9.718 10.740 1.00 0.00 C ATOM 0 H ILE A 113 7.988 -7.076 7.636 1.00 0.00 H new ATOM 0 HA ILE A 113 5.062 -7.200 7.709 1.00 0.00 H new ATOM 0 HB ILE A 113 5.317 -8.592 9.712 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.310 -8.377 9.233 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.437 -7.605 10.542 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.310 -10.584 8.616 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.254 -9.678 7.506 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.022 -9.532 7.371 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.552 -9.639 11.310 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.784 -9.813 11.426 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.671 -10.597 10.096 1.00 0.00 H new ATOM 1635 N GLY A 114 4.762 -5.548 9.619 1.00 0.00 N ATOM 1636 CA GLY A 114 4.629 -4.583 10.697 1.00 0.00 C ATOM 1637 C GLY A 114 4.596 -3.196 10.169 1.00 0.00 C ATOM 1638 O GLY A 114 4.483 -2.225 10.906 1.00 0.00 O ATOM 0 H GLY A 114 3.883 -5.841 9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.717 -4.784 11.259 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.462 -4.692 11.392 1.00 0.00 H new ATOM 1642 N ARG A 115 4.696 -3.109 8.887 1.00 0.00 N ATOM 1643 CA ARG A 115 4.696 -1.874 8.195 1.00 0.00 C ATOM 1644 C ARG A 115 3.253 -1.520 7.914 1.00 0.00 C ATOM 1645 O ARG A 115 2.479 -2.383 7.720 1.00 0.00 O ATOM 1646 CB ARG A 115 5.457 -2.076 6.915 1.00 0.00 C ATOM 1647 CG ARG A 115 6.775 -2.851 7.073 1.00 0.00 C ATOM 1648 CD ARG A 115 7.776 -2.171 8.011 1.00 0.00 C ATOM 1649 NE ARG A 115 8.118 -3.025 9.162 1.00 0.00 N ATOM 1650 CZ ARG A 115 9.001 -2.740 10.142 1.00 0.00 C ATOM 1651 NH1 ARG A 115 9.612 -1.565 10.190 1.00 0.00 N ATOM 1652 NH2 ARG A 115 9.240 -3.635 11.092 1.00 0.00 N ATOM 0 H ARG A 115 4.782 -3.922 8.277 1.00 0.00 H new ATOM 0 HA ARG A 115 5.162 -1.071 8.766 1.00 0.00 H new ATOM 0 HB2 ARG A 115 4.820 -2.608 6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 115 5.673 -1.101 6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 115 6.557 -3.850 7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 115 7.234 -2.974 6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 115 8.683 -1.926 7.458 1.00 0.00 H new ATOM 0 HD3 ARG A 115 7.357 -1.230 8.369 1.00 0.00 H new ATOM 0 HE ARG A 115 7.639 -3.923 9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 115 9.418 -0.860 9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 115 10.277 -1.366 10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 115 8.757 -4.533 11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 115 9.906 -3.425 11.835 1.00 0.00 H new ATOM 1666 N THR A 116 2.884 -0.289 7.948 1.00 0.00 N ATOM 1667 CA THR A 116 1.518 0.065 7.753 1.00 0.00 C ATOM 1668 C THR A 116 1.215 0.519 6.336 1.00 0.00 C ATOM 1669 O THR A 116 1.760 1.509 5.847 1.00 0.00 O ATOM 1670 CB THR A 116 1.149 1.118 8.754 1.00 0.00 C ATOM 1671 OG1 THR A 116 2.273 2.016 8.894 1.00 0.00 O ATOM 1672 CG2 THR A 116 0.827 0.479 10.086 1.00 0.00 C ATOM 0 H THR A 116 3.512 0.498 8.110 1.00 0.00 H new ATOM 0 HA THR A 116 0.910 -0.827 7.905 1.00 0.00 H new ATOM 0 HB THR A 116 0.268 1.665 8.417 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.965 2.942 8.804 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.560 1.253 10.806 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.010 -0.209 9.967 1.00 0.00 H new ATOM 0 HG23 THR A 116 1.698 -0.068 10.447 1.00 0.00 H new ATOM 1680 N LEU A 117 0.341 -0.198 5.705 1.00 0.00 N ATOM 1681 CA LEU A 117 -0.057 0.076 4.353 1.00 0.00 C ATOM 1682 C LEU A 117 -1.221 1.065 4.408 1.00 0.00 C ATOM 1683 O LEU A 117 -2.154 0.865 5.189 1.00 0.00 O ATOM 1684 CB LEU A 117 -0.524 -1.255 3.721 1.00 0.00 C ATOM 1685 CG LEU A 117 -0.566 -1.384 2.182 1.00 0.00 C ATOM 1686 CD1 LEU A 117 -1.037 -2.765 1.801 1.00 0.00 C ATOM 1687 CD2 LEU A 117 -1.455 -0.349 1.524 1.00 0.00 C ATOM 0 H LEU A 117 -0.127 -1.005 6.118 1.00 0.00 H new ATOM 0 HA LEU A 117 0.758 0.496 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 117 0.127 -2.044 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.527 -1.462 4.095 1.00 0.00 H new ATOM 0 HG LEU A 117 0.448 -1.211 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.066 -2.853 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.351 -3.508 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.035 -2.933 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.442 -0.492 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.475 -0.458 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.088 0.650 1.762 1.00 0.00 H new ATOM 1699 N VAL A 118 -1.160 2.137 3.612 1.00 0.00 N ATOM 1700 CA VAL A 118 -2.322 3.063 3.562 1.00 0.00 C ATOM 1701 C VAL A 118 -3.138 2.829 2.309 1.00 0.00 C ATOM 1702 O VAL A 118 -2.691 3.162 1.171 1.00 0.00 O ATOM 1703 CB VAL A 118 -1.961 4.576 3.663 1.00 0.00 C ATOM 1704 CG1 VAL A 118 -3.209 5.444 3.495 1.00 0.00 C ATOM 1705 CG2 VAL A 118 -1.361 4.876 4.992 1.00 0.00 C ATOM 0 H VAL A 118 -0.369 2.387 3.019 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.902 2.827 4.454 1.00 0.00 H new ATOM 0 HB VAL A 118 -1.248 4.799 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.933 6.496 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.656 5.254 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -3.929 5.202 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.114 5.936 5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -2.074 4.627 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.455 4.285 5.124 1.00 0.00 H new ATOM 1715 N VAL A 119 -4.308 2.282 2.475 1.00 0.00 N ATOM 1716 CA VAL A 119 -5.144 1.991 1.347 1.00 0.00 C ATOM 1717 C VAL A 119 -6.627 2.102 1.657 1.00 0.00 C ATOM 1718 O VAL A 119 -7.133 1.520 2.601 1.00 0.00 O ATOM 1719 CB VAL A 119 -4.818 0.615 0.656 1.00 0.00 C ATOM 1720 CG1 VAL A 119 -5.083 -0.578 1.570 1.00 0.00 C ATOM 1721 CG2 VAL A 119 -5.570 0.467 -0.668 1.00 0.00 C ATOM 0 H VAL A 119 -4.704 2.029 3.380 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.901 2.772 0.627 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.749 0.620 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.841 -1.501 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -4.463 -0.497 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.134 -0.589 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -5.324 -0.493 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -6.643 0.517 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -5.279 1.272 -1.343 1.00 0.00 H new ATOM 1731 N HIS A 120 -7.272 2.907 0.891 1.00 0.00 N ATOM 1732 CA HIS A 120 -8.679 2.988 0.836 1.00 0.00 C ATOM 1733 C HIS A 120 -8.913 3.256 -0.603 1.00 0.00 C ATOM 1734 O HIS A 120 -7.967 3.705 -1.294 1.00 0.00 O ATOM 1735 CB HIS A 120 -9.285 4.136 1.715 1.00 0.00 C ATOM 1736 CG HIS A 120 -10.814 4.161 1.682 1.00 0.00 C ATOM 1737 ND1 HIS A 120 -11.551 5.036 0.900 1.00 0.00 N ATOM 1738 CD2 HIS A 120 -11.721 3.336 2.253 1.00 0.00 C ATOM 1739 CE1 HIS A 120 -12.830 4.730 0.990 1.00 0.00 C ATOM 1740 NE2 HIS A 120 -12.965 3.698 1.792 1.00 0.00 N ATOM 0 H HIS A 120 -6.806 3.556 0.257 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.155 2.089 1.226 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -8.950 4.015 2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.903 5.095 1.366 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -11.507 2.536 2.947 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -13.636 5.244 0.487 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -13.845 3.242 2.032 1.00 0.00 H new ATOM 1749 N GLU A 121 -10.057 2.955 -1.068 1.00 0.00 N ATOM 1750 CA GLU A 121 -10.451 3.225 -2.401 1.00 0.00 C ATOM 1751 C GLU A 121 -10.575 4.741 -2.501 1.00 0.00 C ATOM 1752 O GLU A 121 -11.588 5.315 -2.120 1.00 0.00 O ATOM 1753 CB GLU A 121 -11.822 2.578 -2.699 1.00 0.00 C ATOM 1754 CG GLU A 121 -12.118 1.231 -1.998 1.00 0.00 C ATOM 1755 CD GLU A 121 -12.436 1.377 -0.520 1.00 0.00 C ATOM 1756 OE1 GLU A 121 -13.567 1.736 -0.164 1.00 0.00 O ATOM 1757 OE2 GLU A 121 -11.518 1.223 0.286 1.00 0.00 O ATOM 0 H GLU A 121 -10.779 2.495 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 121 -9.731 2.823 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.601 3.287 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.901 2.427 -3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.958 0.747 -2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.257 0.573 -2.113 1.00 0.00 H new ATOM 1764 N LYS A 122 -9.479 5.381 -2.857 1.00 0.00 N ATOM 1765 CA LYS A 122 -9.401 6.832 -2.892 1.00 0.00 C ATOM 1766 C LYS A 122 -8.058 7.226 -3.488 1.00 0.00 C ATOM 1767 O LYS A 122 -7.179 6.374 -3.655 1.00 0.00 O ATOM 1768 CB LYS A 122 -9.557 7.400 -1.448 1.00 0.00 C ATOM 1769 CG LYS A 122 -10.347 8.708 -1.351 1.00 0.00 C ATOM 1770 CD LYS A 122 -9.507 9.965 -1.500 1.00 0.00 C ATOM 1771 CE LYS A 122 -10.384 11.210 -1.673 1.00 0.00 C ATOM 1772 NZ LYS A 122 -11.418 11.344 -0.613 1.00 0.00 N ATOM 0 H LYS A 122 -8.616 4.912 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.202 7.244 -3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -10.048 6.649 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -8.564 7.560 -1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -11.119 8.709 -2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -10.857 8.739 -0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -8.872 10.085 -0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.846 9.862 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -9.751 12.097 -1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -10.873 11.171 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -11.842 12.293 -0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -12.157 10.627 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -10.979 11.207 0.320 1.00 0.00 H new ATOM 1786 N ALA A 123 -7.918 8.472 -3.812 1.00 0.00 N ATOM 1787 CA ALA A 123 -6.669 9.035 -4.261 1.00 0.00 C ATOM 1788 C ALA A 123 -5.683 9.193 -3.098 1.00 0.00 C ATOM 1789 O ALA A 123 -5.993 9.798 -2.065 1.00 0.00 O ATOM 1790 CB ALA A 123 -6.898 10.380 -4.923 1.00 0.00 C ATOM 0 H ALA A 123 -8.681 9.147 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 123 -6.239 8.347 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.944 10.789 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -7.558 10.255 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -7.357 11.064 -4.209 1.00 0.00 H new ATOM 1796 N ASP A 124 -4.531 8.612 -3.287 1.00 0.00 N ATOM 1797 CA ASP A 124 -3.378 8.667 -2.361 1.00 0.00 C ATOM 1798 C ASP A 124 -2.139 8.406 -3.173 1.00 0.00 C ATOM 1799 O ASP A 124 -1.979 7.325 -3.719 1.00 0.00 O ATOM 1800 CB ASP A 124 -3.556 7.607 -1.218 1.00 0.00 C ATOM 1801 CG ASP A 124 -2.286 7.106 -0.431 1.00 0.00 C ATOM 1802 OD1 ASP A 124 -1.107 7.343 -0.673 1.00 0.00 O ATOM 1803 OD2 ASP A 124 -2.347 6.258 0.452 1.00 0.00 O ATOM 0 H ASP A 124 -4.337 8.057 -4.120 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.302 9.642 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.251 8.024 -0.489 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.038 6.732 -1.654 1.00 0.00 H new ATOM 1808 N ASP A 125 -1.305 9.386 -3.306 1.00 0.00 N ATOM 1809 CA ASP A 125 -0.084 9.240 -4.080 1.00 0.00 C ATOM 1810 C ASP A 125 1.077 9.691 -3.284 1.00 0.00 C ATOM 1811 O ASP A 125 1.070 10.785 -2.756 1.00 0.00 O ATOM 1812 CB ASP A 125 -0.129 10.013 -5.396 1.00 0.00 C ATOM 1813 CG ASP A 125 -1.045 9.405 -6.408 1.00 0.00 C ATOM 1814 OD1 ASP A 125 -0.591 8.557 -7.183 1.00 0.00 O ATOM 1815 OD2 ASP A 125 -2.229 9.755 -6.443 1.00 0.00 O ATOM 0 H ASP A 125 -1.436 10.308 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 125 0.014 8.182 -4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -0.447 11.037 -5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 125 0.877 10.067 -5.812 1.00 0.00 H new ATOM 1820 N LEU A 126 2.086 8.870 -3.214 1.00 0.00 N ATOM 1821 CA LEU A 126 3.243 9.182 -2.421 1.00 0.00 C ATOM 1822 C LEU A 126 4.195 10.084 -3.175 1.00 0.00 C ATOM 1823 O LEU A 126 4.562 11.138 -2.685 1.00 0.00 O ATOM 1824 CB LEU A 126 3.960 7.904 -1.951 1.00 0.00 C ATOM 1825 CG LEU A 126 3.249 7.016 -0.902 1.00 0.00 C ATOM 1826 CD1 LEU A 126 2.886 7.798 0.351 1.00 0.00 C ATOM 1827 CD2 LEU A 126 2.031 6.319 -1.478 1.00 0.00 C ATOM 0 H LEU A 126 2.131 7.974 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 126 2.899 9.718 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.158 7.290 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.927 8.195 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 126 3.964 6.245 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.389 7.137 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.792 8.201 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.217 8.617 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.563 5.707 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.318 7.064 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.335 5.684 -2.310 1.00 0.00 H new ATOM 1839 N GLY A 127 4.579 9.670 -4.362 1.00 0.00 N ATOM 1840 CA GLY A 127 5.516 10.437 -5.141 1.00 0.00 C ATOM 1841 C GLY A 127 4.877 11.605 -5.825 1.00 0.00 C ATOM 1842 O GLY A 127 5.498 12.650 -6.011 1.00 0.00 O ATOM 0 H GLY A 127 4.257 8.810 -4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.316 10.794 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 127 5.976 9.791 -5.888 1.00 0.00 H new ATOM 1846 N LYS A 128 3.633 11.453 -6.174 1.00 0.00 N ATOM 1847 CA LYS A 128 2.956 12.477 -6.914 1.00 0.00 C ATOM 1848 C LYS A 128 2.220 13.427 -5.989 1.00 0.00 C ATOM 1849 O LYS A 128 2.376 14.644 -6.092 1.00 0.00 O ATOM 1850 CB LYS A 128 1.991 11.853 -7.939 1.00 0.00 C ATOM 1851 CG LYS A 128 1.348 12.858 -8.885 1.00 0.00 C ATOM 1852 CD LYS A 128 0.447 12.185 -9.924 1.00 0.00 C ATOM 1853 CE LYS A 128 -0.775 11.522 -9.299 1.00 0.00 C ATOM 1854 NZ LYS A 128 -1.680 10.970 -10.327 1.00 0.00 N ATOM 0 H LYS A 128 3.068 10.632 -5.959 1.00 0.00 H new ATOM 0 HA LYS A 128 3.706 13.055 -7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 128 2.533 11.113 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 128 1.205 11.321 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 128 0.762 13.573 -8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 128 2.128 13.423 -9.395 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.120 12.928 -10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 128 1.023 11.437 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.454 10.724 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.314 12.250 -8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -2.500 10.527 -9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -2.006 11.736 -10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -1.173 10.258 -10.890 1.00 0.00 H new ATOM 1868 N GLY A 129 1.496 12.880 -5.042 1.00 0.00 N ATOM 1869 CA GLY A 129 0.617 13.655 -4.219 1.00 0.00 C ATOM 1870 C GLY A 129 -0.501 14.285 -5.016 1.00 0.00 C ATOM 1871 O GLY A 129 -1.599 13.750 -5.087 1.00 0.00 O ATOM 0 H GLY A 129 1.504 11.883 -4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.193 13.018 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 129 1.187 14.436 -3.716 1.00 0.00 H new ATOM 1875 N GLY A 130 -0.191 15.411 -5.639 1.00 0.00 N ATOM 1876 CA GLY A 130 -1.143 16.182 -6.408 1.00 0.00 C ATOM 1877 C GLY A 130 -0.535 17.524 -6.774 1.00 0.00 C ATOM 1878 O GLY A 130 -0.257 17.803 -7.941 1.00 0.00 O ATOM 0 H GLY A 130 0.744 15.817 -5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -1.421 15.639 -7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.056 16.330 -5.832 1.00 0.00 H new ATOM 1882 N ASN A 131 -0.321 18.339 -5.773 1.00 0.00 N ATOM 1883 CA ASN A 131 0.348 19.633 -5.913 1.00 0.00 C ATOM 1884 C ASN A 131 1.619 19.588 -5.026 1.00 0.00 C ATOM 1885 O ASN A 131 1.911 18.523 -4.435 1.00 0.00 O ATOM 1886 CB ASN A 131 -0.611 20.774 -5.468 1.00 0.00 C ATOM 1887 CG ASN A 131 -0.033 22.176 -5.645 1.00 0.00 C ATOM 1888 OD1 ASN A 131 0.686 22.439 -6.604 1.00 0.00 O ATOM 1889 ND2 ASN A 131 -0.233 23.030 -4.671 1.00 0.00 N ATOM 0 H ASN A 131 -0.607 18.130 -4.816 1.00 0.00 H new ATOM 0 HA ASN A 131 0.624 19.828 -6.949 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -1.537 20.699 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -0.870 20.629 -4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 131 0.215 23.946 -4.696 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -0.837 22.779 -3.888 1.00 0.00 H new ATOM 1896 N GLU A 132 2.352 20.710 -4.917 1.00 0.00 N ATOM 1897 CA GLU A 132 3.597 20.804 -4.150 1.00 0.00 C ATOM 1898 C GLU A 132 3.454 20.341 -2.683 1.00 0.00 C ATOM 1899 O GLU A 132 4.375 19.749 -2.127 1.00 0.00 O ATOM 1900 CB GLU A 132 4.110 22.229 -4.186 1.00 0.00 C ATOM 1901 CG GLU A 132 4.351 22.748 -5.583 1.00 0.00 C ATOM 1902 CD GLU A 132 4.848 24.163 -5.585 1.00 0.00 C ATOM 1903 OE1 GLU A 132 4.030 25.094 -5.589 1.00 0.00 O ATOM 1904 OE2 GLU A 132 6.085 24.371 -5.598 1.00 0.00 O ATOM 0 H GLU A 132 2.089 21.587 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 132 4.307 20.126 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 132 3.392 22.878 -3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 132 5.040 22.286 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 132 5.077 22.109 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 132 3.425 22.689 -6.155 1.00 0.00 H new ATOM 1911 N GLU A 133 2.315 20.584 -2.069 1.00 0.00 N ATOM 1912 CA GLU A 133 2.138 20.190 -0.684 1.00 0.00 C ATOM 1913 C GLU A 133 1.719 18.723 -0.604 1.00 0.00 C ATOM 1914 O GLU A 133 2.210 17.963 0.228 1.00 0.00 O ATOM 1915 CB GLU A 133 1.130 21.122 0.072 1.00 0.00 C ATOM 1916 CG GLU A 133 -0.366 20.991 -0.291 1.00 0.00 C ATOM 1917 CD GLU A 133 -0.688 21.257 -1.742 1.00 0.00 C ATOM 1918 OE1 GLU A 133 -0.496 20.347 -2.561 1.00 0.00 O ATOM 1919 OE2 GLU A 133 -1.142 22.363 -2.089 1.00 0.00 O ATOM 0 H GLU A 133 1.511 21.044 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 133 3.097 20.303 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.235 20.936 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 133 1.430 22.155 -0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -0.701 19.985 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.938 21.683 0.327 1.00 0.00 H new ATOM 1926 N SER A 134 0.882 18.330 -1.537 1.00 0.00 N ATOM 1927 CA SER A 134 0.295 17.020 -1.575 1.00 0.00 C ATOM 1928 C SER A 134 1.331 15.929 -1.800 1.00 0.00 C ATOM 1929 O SER A 134 1.136 14.819 -1.354 1.00 0.00 O ATOM 1930 CB SER A 134 -0.763 16.958 -2.662 1.00 0.00 C ATOM 1931 OG SER A 134 -1.684 18.033 -2.560 1.00 0.00 O ATOM 0 H SER A 134 0.587 18.931 -2.307 1.00 0.00 H new ATOM 0 HA SER A 134 -0.162 16.841 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.282 16.982 -3.640 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.299 16.012 -2.594 1.00 0.00 H new ATOM 0 HG SER A 134 -1.288 18.841 -2.949 1.00 0.00 H new ATOM 1937 N THR A 135 2.420 16.240 -2.500 1.00 0.00 N ATOM 1938 CA THR A 135 3.471 15.251 -2.743 1.00 0.00 C ATOM 1939 C THR A 135 4.188 14.918 -1.429 1.00 0.00 C ATOM 1940 O THR A 135 4.663 13.804 -1.222 1.00 0.00 O ATOM 1941 CB THR A 135 4.491 15.728 -3.843 1.00 0.00 C ATOM 1942 OG1 THR A 135 5.443 14.697 -4.141 1.00 0.00 O ATOM 1943 CG2 THR A 135 5.245 16.980 -3.420 1.00 0.00 C ATOM 0 H THR A 135 2.598 17.159 -2.906 1.00 0.00 H new ATOM 0 HA THR A 135 2.999 14.347 -3.128 1.00 0.00 H new ATOM 0 HB THR A 135 3.901 15.957 -4.730 1.00 0.00 H new ATOM 0 HG1 THR A 135 5.110 14.149 -4.882 1.00 0.00 H new ATOM 0 HG21 THR A 135 5.937 17.272 -4.210 1.00 0.00 H new ATOM 0 HG22 THR A 135 4.536 17.789 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 135 5.803 16.777 -2.506 1.00 0.00 H new ATOM 1951 N LYS A 136 4.186 15.864 -0.534 1.00 0.00 N ATOM 1952 CA LYS A 136 4.839 15.708 0.744 1.00 0.00 C ATOM 1953 C LYS A 136 3.917 14.997 1.704 1.00 0.00 C ATOM 1954 O LYS A 136 4.345 14.160 2.489 1.00 0.00 O ATOM 1955 CB LYS A 136 5.247 17.066 1.304 1.00 0.00 C ATOM 1956 CG LYS A 136 6.245 17.803 0.437 1.00 0.00 C ATOM 1957 CD LYS A 136 6.610 19.180 1.011 1.00 0.00 C ATOM 1958 CE LYS A 136 5.414 20.128 1.018 1.00 0.00 C ATOM 1959 NZ LYS A 136 5.760 21.473 1.535 1.00 0.00 N ATOM 0 H LYS A 136 3.732 16.768 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 136 5.741 15.110 0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 136 4.356 17.683 1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.674 16.927 2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.149 17.202 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 136 5.832 17.927 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.986 19.062 2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 136 7.416 19.617 0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 136 5.022 20.221 0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 136 4.619 19.701 1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 4.915 22.079 1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.109 21.390 2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 6.499 21.895 0.938 1.00 0.00 H new ATOM 1973 N THR A 137 2.661 15.344 1.635 1.00 0.00 N ATOM 1974 CA THR A 137 1.666 14.734 2.456 1.00 0.00 C ATOM 1975 C THR A 137 1.396 13.300 1.978 1.00 0.00 C ATOM 1976 O THR A 137 1.138 12.402 2.780 1.00 0.00 O ATOM 1977 CB THR A 137 0.357 15.543 2.352 1.00 0.00 C ATOM 1978 OG1 THR A 137 0.650 16.942 2.493 1.00 0.00 O ATOM 1979 CG2 THR A 137 -0.626 15.127 3.434 1.00 0.00 C ATOM 0 H THR A 137 2.303 16.061 1.004 1.00 0.00 H new ATOM 0 HA THR A 137 2.020 14.714 3.487 1.00 0.00 H new ATOM 0 HB THR A 137 -0.093 15.348 1.379 1.00 0.00 H new ATOM 0 HG1 THR A 137 1.029 17.283 1.656 1.00 0.00 H new ATOM 0 HG21 THR A 137 -1.541 15.712 3.339 1.00 0.00 H new ATOM 0 HG22 THR A 137 -0.860 14.068 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 137 -0.183 15.302 4.415 1.00 0.00 H new ATOM 1987 N GLY A 138 1.500 13.094 0.663 1.00 0.00 N ATOM 1988 CA GLY A 138 1.095 11.845 0.074 1.00 0.00 C ATOM 1989 C GLY A 138 -0.349 11.657 0.380 1.00 0.00 C ATOM 1990 O GLY A 138 -0.764 10.556 0.762 1.00 0.00 O ATOM 0 H GLY A 138 1.861 13.781 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 138 1.261 11.857 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 138 1.684 11.021 0.478 1.00 0.00 H new ATOM 1994 N ASN A 139 -1.095 12.766 0.162 1.00 0.00 N ATOM 1995 CA ASN A 139 -2.483 12.996 0.630 1.00 0.00 C ATOM 1996 C ASN A 139 -3.331 11.745 0.653 1.00 0.00 C ATOM 1997 O ASN A 139 -3.757 11.224 -0.388 1.00 0.00 O ATOM 1998 CB ASN A 139 -3.154 14.095 -0.199 1.00 0.00 C ATOM 1999 CG ASN A 139 -4.492 14.543 0.376 1.00 0.00 C ATOM 2000 OD1 ASN A 139 -4.706 14.517 1.585 1.00 0.00 O ATOM 2001 ND2 ASN A 139 -5.374 14.986 -0.468 1.00 0.00 N ATOM 0 H ASN A 139 -0.731 13.558 -0.367 1.00 0.00 H new ATOM 0 HA ASN A 139 -2.405 13.323 1.667 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -2.486 14.954 -0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -3.305 13.734 -1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -6.275 15.326 -0.132 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -5.165 14.994 -1.466 1.00 0.00 H new ATOM 2008 N ALA A 140 -3.525 11.267 1.857 1.00 0.00 N ATOM 2009 CA ALA A 140 -4.228 10.064 2.156 1.00 0.00 C ATOM 2010 C ALA A 140 -4.826 10.195 3.518 1.00 0.00 C ATOM 2011 O ALA A 140 -4.560 11.179 4.210 1.00 0.00 O ATOM 2012 CB ALA A 140 -3.273 8.901 2.163 1.00 0.00 C ATOM 0 H ALA A 140 -3.175 11.738 2.691 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.000 9.895 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -3.817 7.985 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -2.804 8.809 1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -2.505 9.066 2.919 1.00 0.00 H new ATOM 2018 N GLY A 141 -5.640 9.239 3.899 1.00 0.00 N ATOM 2019 CA GLY A 141 -6.089 9.188 5.255 1.00 0.00 C ATOM 2020 C GLY A 141 -4.948 8.657 6.099 1.00 0.00 C ATOM 2021 O GLY A 141 -4.770 7.441 6.189 1.00 0.00 O ATOM 0 H GLY A 141 -5.996 8.500 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -6.388 10.179 5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.963 8.543 5.344 1.00 0.00 H new ATOM 2025 N SER A 142 -4.177 9.580 6.675 1.00 0.00 N ATOM 2026 CA SER A 142 -2.933 9.325 7.414 1.00 0.00 C ATOM 2027 C SER A 142 -3.011 8.130 8.374 1.00 0.00 C ATOM 2028 O SER A 142 -2.089 7.336 8.452 1.00 0.00 O ATOM 2029 CB SER A 142 -2.558 10.587 8.179 1.00 0.00 C ATOM 2030 OG SER A 142 -2.577 11.721 7.317 1.00 0.00 O ATOM 0 H SER A 142 -4.411 10.572 6.639 1.00 0.00 H new ATOM 0 HA SER A 142 -2.170 9.063 6.681 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.254 10.739 9.004 1.00 0.00 H new ATOM 0 HB3 SER A 142 -1.566 10.472 8.616 1.00 0.00 H new ATOM 0 HG SER A 142 -2.335 12.523 7.826 1.00 0.00 H new ATOM 2036 N ARG A 143 -4.066 8.031 9.102 1.00 0.00 N ATOM 2037 CA ARG A 143 -4.239 6.922 9.992 1.00 0.00 C ATOM 2038 C ARG A 143 -5.420 6.105 9.553 1.00 0.00 C ATOM 2039 O ARG A 143 -5.504 4.917 9.850 1.00 0.00 O ATOM 2040 CB ARG A 143 -4.510 7.418 11.411 1.00 0.00 C ATOM 2041 CG ARG A 143 -3.432 8.295 12.026 1.00 0.00 C ATOM 2042 CD ARG A 143 -3.871 8.766 13.404 1.00 0.00 C ATOM 2043 NE ARG A 143 -5.132 9.526 13.334 1.00 0.00 N ATOM 2044 CZ ARG A 143 -6.238 9.277 14.071 1.00 0.00 C ATOM 2045 NH1 ARG A 143 -6.244 8.310 14.986 1.00 0.00 N ATOM 2046 NH2 ARG A 143 -7.334 9.996 13.881 1.00 0.00 N ATOM 0 H ARG A 143 -4.831 8.706 9.104 1.00 0.00 H new ATOM 0 HA ARG A 143 -3.329 6.323 9.975 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.446 7.976 11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.658 6.552 12.056 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -2.498 7.738 12.103 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -3.239 9.154 11.383 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -3.998 7.906 14.061 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -3.092 9.390 13.843 1.00 0.00 H new ATOM 0 HE ARG A 143 -5.174 10.304 12.675 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -5.407 7.746 15.138 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -7.085 8.133 15.535 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -7.343 10.736 13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -8.169 9.809 14.436 1.00 0.00 H new ATOM 2060 N LEU A 144 -6.330 6.785 8.869 1.00 0.00 N ATOM 2061 CA LEU A 144 -7.693 6.318 8.521 1.00 0.00 C ATOM 2062 C LEU A 144 -7.700 4.900 7.964 1.00 0.00 C ATOM 2063 O LEU A 144 -8.608 4.116 8.260 1.00 0.00 O ATOM 2064 CB LEU A 144 -8.334 7.342 7.529 1.00 0.00 C ATOM 2065 CG LEU A 144 -9.853 7.244 7.174 1.00 0.00 C ATOM 2066 CD1 LEU A 144 -10.184 6.070 6.257 1.00 0.00 C ATOM 2067 CD2 LEU A 144 -10.699 7.195 8.436 1.00 0.00 C ATOM 0 H LEU A 144 -6.143 7.724 8.518 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.293 6.271 9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -8.160 8.338 7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -7.778 7.278 6.594 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.096 8.148 6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -11.254 6.060 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.634 6.173 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.900 5.137 6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -11.753 7.127 8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -10.419 6.323 9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.532 8.099 9.021 1.00 0.00 H new ATOM 2079 N ALA A 145 -6.696 4.562 7.234 1.00 0.00 N ATOM 2080 CA ALA A 145 -6.590 3.305 6.654 1.00 0.00 C ATOM 2081 C ALA A 145 -5.156 2.903 6.735 1.00 0.00 C ATOM 2082 O ALA A 145 -4.353 3.199 5.852 1.00 0.00 O ATOM 2083 CB ALA A 145 -7.081 3.337 5.214 1.00 0.00 C ATOM 0 H ALA A 145 -5.913 5.183 7.029 1.00 0.00 H new ATOM 0 HA ALA A 145 -7.212 2.579 7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -6.990 2.343 4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -8.125 3.649 5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -6.480 4.042 4.640 1.00 0.00 H new ATOM 2089 N CYS A 146 -4.840 2.301 7.832 1.00 0.00 N ATOM 2090 CA CYS A 146 -3.551 1.766 8.089 1.00 0.00 C ATOM 2091 C CYS A 146 -3.729 0.449 8.757 1.00 0.00 C ATOM 2092 O CYS A 146 -4.641 0.271 9.574 1.00 0.00 O ATOM 2093 CB CYS A 146 -2.694 2.673 8.996 1.00 0.00 C ATOM 2094 SG CYS A 146 -2.098 4.241 8.261 1.00 0.00 S ATOM 0 H CYS A 146 -5.498 2.165 8.600 1.00 0.00 H new ATOM 0 HA CYS A 146 -3.026 1.678 7.138 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -3.277 2.914 9.885 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -1.827 2.101 9.328 1.00 0.00 H new ATOM 2099 N GLY A 147 -2.936 -0.465 8.360 1.00 0.00 N ATOM 2100 CA GLY A 147 -2.883 -1.743 8.947 1.00 0.00 C ATOM 2101 C GLY A 147 -1.573 -2.323 8.601 1.00 0.00 C ATOM 2102 O GLY A 147 -1.011 -1.958 7.552 1.00 0.00 O ATOM 0 H GLY A 147 -2.281 -0.340 7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -3.001 -1.676 10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -3.693 -2.371 8.576 1.00 0.00 H new ATOM 2106 N VAL A 148 -1.033 -3.144 9.456 1.00 0.00 N ATOM 2107 CA VAL A 148 0.217 -3.761 9.171 1.00 0.00 C ATOM 2108 C VAL A 148 0.108 -4.768 8.047 1.00 0.00 C ATOM 2109 O VAL A 148 -0.741 -5.668 8.039 1.00 0.00 O ATOM 2110 CB VAL A 148 0.926 -4.384 10.413 1.00 0.00 C ATOM 2111 CG1 VAL A 148 1.279 -3.307 11.423 1.00 0.00 C ATOM 2112 CG2 VAL A 148 0.090 -5.481 11.067 1.00 0.00 C ATOM 0 H VAL A 148 -1.444 -3.397 10.355 1.00 0.00 H new ATOM 0 HA VAL A 148 0.859 -2.944 8.843 1.00 0.00 H new ATOM 0 HB VAL A 148 1.845 -4.850 10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 148 1.773 -3.761 12.282 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.949 -2.581 10.962 1.00 0.00 H new ATOM 0 HG13 VAL A 148 0.369 -2.804 11.751 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.626 -5.883 11.927 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -0.863 -5.065 11.395 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.091 -6.279 10.347 1.00 0.00 H new ATOM 2122 N ILE A 149 0.911 -4.529 7.083 1.00 0.00 N ATOM 2123 CA ILE A 149 1.096 -5.352 5.981 1.00 0.00 C ATOM 2124 C ILE A 149 2.315 -6.136 6.291 1.00 0.00 C ATOM 2125 O ILE A 149 3.280 -5.631 6.936 1.00 0.00 O ATOM 2126 CB ILE A 149 1.230 -4.517 4.628 1.00 0.00 C ATOM 2127 CG1 ILE A 149 1.444 -5.396 3.345 1.00 0.00 C ATOM 2128 CG2 ILE A 149 2.300 -3.434 4.722 1.00 0.00 C ATOM 2129 CD1 ILE A 149 2.848 -5.964 3.128 1.00 0.00 C ATOM 0 H ILE A 149 1.491 -3.691 7.053 1.00 0.00 H new ATOM 0 HA ILE A 149 0.239 -6.003 5.809 1.00 0.00 H new ATOM 0 HB ILE A 149 0.259 -4.036 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 149 0.742 -6.229 3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.181 -4.796 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 149 2.354 -2.893 3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 149 2.046 -2.740 5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 149 3.266 -3.894 4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 149 2.865 -6.551 2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 149 3.563 -5.145 3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.117 -6.601 3.971 1.00 0.00 H new ATOM 2141 N GLY A 150 2.253 -7.345 5.979 1.00 0.00 N ATOM 2142 CA GLY A 150 3.333 -8.149 6.174 1.00 0.00 C ATOM 2143 C GLY A 150 3.073 -9.442 5.628 1.00 0.00 C ATOM 2144 O GLY A 150 1.905 -9.846 5.510 1.00 0.00 O ATOM 0 H GLY A 150 1.436 -7.803 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 150 4.213 -7.714 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 150 3.551 -8.230 7.239 1.00 0.00 H new ATOM 2148 N ILE A 151 4.121 -10.111 5.225 1.00 0.00 N ATOM 2149 CA ILE A 151 4.024 -11.483 4.851 1.00 0.00 C ATOM 2150 C ILE A 151 3.534 -12.299 6.048 1.00 0.00 C ATOM 2151 O ILE A 151 4.155 -12.311 7.113 1.00 0.00 O ATOM 2152 CB ILE A 151 5.348 -12.059 4.196 1.00 0.00 C ATOM 2153 CG1 ILE A 151 6.596 -12.041 5.117 1.00 0.00 C ATOM 2154 CG2 ILE A 151 5.651 -11.335 2.896 1.00 0.00 C ATOM 2155 CD1 ILE A 151 6.780 -13.270 5.998 1.00 0.00 C ATOM 0 H ILE A 151 5.058 -9.716 5.150 1.00 0.00 H new ATOM 0 HA ILE A 151 3.287 -11.566 4.052 1.00 0.00 H new ATOM 0 HB ILE A 151 5.139 -13.112 4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 151 7.483 -11.926 4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 151 6.540 -11.161 5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 151 6.563 -11.741 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 151 4.822 -11.472 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 151 5.786 -10.272 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 151 7.681 -13.154 6.601 1.00 0.00 H new ATOM 0 HD12 ILE A 151 5.916 -13.380 6.654 1.00 0.00 H new ATOM 0 HD13 ILE A 151 6.875 -14.156 5.371 1.00 0.00 H new ATOM 2167 N ALA A 152 2.371 -12.851 5.923 1.00 0.00 N ATOM 2168 CA ALA A 152 1.804 -13.642 6.968 1.00 0.00 C ATOM 2169 C ALA A 152 1.411 -14.965 6.402 1.00 0.00 C ATOM 2170 O ALA A 152 0.552 -15.042 5.525 1.00 0.00 O ATOM 2171 CB ALA A 152 0.606 -12.942 7.590 1.00 0.00 C ATOM 0 H ALA A 152 1.786 -12.766 5.092 1.00 0.00 H new ATOM 0 HA ALA A 152 2.541 -13.785 7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 152 0.192 -13.565 8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 152 0.920 -11.985 8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.154 -12.774 6.827 1.00 0.00 H new ATOM 2177 N GLN A 153 2.053 -15.981 6.855 1.00 0.00 N ATOM 2178 CA GLN A 153 1.809 -17.300 6.386 1.00 0.00 C ATOM 2179 C GLN A 153 1.077 -18.088 7.462 1.00 0.00 C ATOM 2180 O GLN A 153 -0.162 -18.240 7.346 1.00 0.00 O ATOM 2181 CB GLN A 153 3.123 -17.959 5.901 1.00 0.00 C ATOM 2182 CG GLN A 153 4.265 -17.934 6.911 1.00 0.00 C ATOM 2183 CD GLN A 153 5.590 -18.377 6.324 1.00 0.00 C ATOM 2184 OE1 GLN A 153 5.868 -18.182 5.129 1.00 0.00 O ATOM 2185 NE2 GLN A 153 6.412 -18.969 7.138 1.00 0.00 N ATOM 2186 OXT GLN A 153 1.694 -18.454 8.478 1.00 0.00 O ATOM 0 H GLN A 153 2.774 -15.920 7.573 1.00 0.00 H new ATOM 0 HA GLN A 153 1.158 -17.281 5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 153 2.916 -18.995 5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 153 3.451 -17.455 4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 153 4.370 -16.924 7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 153 4.013 -18.581 7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 153 6.150 -19.112 8.113 1.00 0.00 H new ATOM 0 HE22 GLN A 153 7.320 -19.291 6.802 1.00 0.00 H new TER 2195 GLN A 153 HETATM 2196 CU CU A 201 -0.780 6.169 0.348 1.00 0.00 CU