USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 768 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 75 ASN : amide:sc= 1.04 K(o=2.1,f=-1.1!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 166:sc= 1.07 (180deg=0.941) USER MOD Set 2.1: A 28 SER OG : rot 33:sc= 0.0973 USER MOD Set 2.2: A 64 THR OG1 : rot 81:sc= 1.32 USER MOD Set 3.1: A 20 GLN : amide:sc= 0.677 K(o=0.71,f=-0.59) USER MOD Set 3.2: A 53 SER OG : rot -153:sc= 0.0297 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.147 K(o=0.15,f=-5!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -3.16! C(o=-3.2!,f=-5.2!) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.14) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.34 K(o=-3.3,f=-8.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0234 K(o=-0.023,f=-1.1) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00963 USER MOD Single : A 42 THR OG1 : rot 34:sc= 1.29 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 144:sc= 1.24 (180deg=0.928) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -95:sc= 1.24 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 173:sc= -1.02 (180deg=-1.14) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.34) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -74:sc= -1.34 USER MOD Single : A 83 SER OG : rot -22:sc= 0.87 USER MOD Single : A 85 LYS NZ :NH3+ 141:sc= 0.367 (180deg=-0.92) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -69:sc= -0.245 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 96 HIS : no HD1:sc=-0.00933 X(o=-0.0093,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 133:sc= 1.26 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00755 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.811 -12.644 7.848 1.00 0.00 N ATOM 2 CA MET A 1 11.757 -13.428 8.512 1.00 0.00 C ATOM 3 C MET A 1 10.558 -12.527 8.743 1.00 0.00 C ATOM 4 O MET A 1 10.620 -11.603 9.550 1.00 0.00 O ATOM 5 CB MET A 1 12.258 -14.054 9.823 1.00 0.00 C ATOM 6 CG MET A 1 11.246 -15.059 10.381 1.00 0.00 C ATOM 7 SD MET A 1 11.874 -16.003 11.796 1.00 0.00 S ATOM 8 CE MET A 1 10.628 -17.317 11.862 1.00 0.00 C ATOM 0 H1 MET A 1 13.641 -13.248 7.682 1.00 0.00 H new ATOM 0 H2 MET A 1 12.456 -12.286 6.938 1.00 0.00 H new ATOM 0 H3 MET A 1 13.081 -11.843 8.454 1.00 0.00 H new ATOM 0 HA MET A 1 11.465 -14.260 7.871 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.211 -14.553 9.649 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.438 -13.269 10.558 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.344 -14.526 10.681 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.959 -15.752 9.590 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.859 -17.997 12.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.644 -16.877 12.022 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.631 -17.869 10.922 1.00 0.00 H new ATOM 16 N ASN A 2 9.478 -12.757 7.999 1.00 0.00 N ATOM 17 CA ASN A 2 8.270 -11.946 8.064 1.00 0.00 C ATOM 18 C ASN A 2 7.053 -12.820 7.761 1.00 0.00 C ATOM 19 O ASN A 2 7.202 -14.022 7.532 1.00 0.00 O ATOM 20 CB ASN A 2 8.388 -10.741 7.113 1.00 0.00 C ATOM 21 CG ASN A 2 8.361 -11.095 5.623 1.00 0.00 C ATOM 22 OD1 ASN A 2 7.352 -11.526 5.081 1.00 0.00 O ATOM 23 ND2 ASN A 2 9.445 -10.857 4.914 1.00 0.00 N ATOM 0 H ASN A 2 9.419 -13.522 7.327 1.00 0.00 H new ATOM 0 HA ASN A 2 8.142 -11.542 9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 2 7.572 -10.049 7.323 1.00 0.00 H new ATOM 0 HB3 ASN A 2 9.317 -10.214 7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 2 9.446 -11.032 3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 2 10.284 -10.498 5.370 1.00 0.00 H new ATOM 29 N ASN A 3 5.859 -12.219 7.769 1.00 0.00 N ATOM 30 CA ASN A 3 4.613 -12.859 7.384 1.00 0.00 C ATOM 31 C ASN A 3 3.929 -11.952 6.366 1.00 0.00 C ATOM 32 O ASN A 3 2.946 -11.276 6.669 1.00 0.00 O ATOM 33 CB ASN A 3 3.713 -13.156 8.596 1.00 0.00 C ATOM 34 CG ASN A 3 2.644 -14.150 8.180 1.00 0.00 C ATOM 35 OD1 ASN A 3 1.535 -13.770 7.820 1.00 0.00 O ATOM 36 ND2 ASN A 3 2.934 -15.442 8.207 1.00 0.00 N ATOM 0 H ASN A 3 5.737 -11.247 8.053 1.00 0.00 H new ATOM 0 HA ASN A 3 4.816 -13.833 6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.306 -13.561 9.416 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.253 -12.237 8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.233 -16.128 7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.858 -15.751 8.508 1.00 0.00 H new ATOM 42 N LEU A 4 4.522 -11.865 5.178 1.00 0.00 N ATOM 43 CA LEU A 4 3.963 -11.128 4.059 1.00 0.00 C ATOM 44 C LEU A 4 2.580 -11.642 3.771 1.00 0.00 C ATOM 45 O LEU A 4 2.385 -12.854 3.728 1.00 0.00 O ATOM 46 CB LEU A 4 4.855 -11.240 2.832 1.00 0.00 C ATOM 47 CG LEU A 4 4.312 -10.530 1.580 1.00 0.00 C ATOM 48 CD1 LEU A 4 3.269 -11.298 0.772 1.00 0.00 C ATOM 49 CD2 LEU A 4 4.070 -9.040 1.785 1.00 0.00 C ATOM 0 H LEU A 4 5.415 -12.311 4.968 1.00 0.00 H new ATOM 0 HA LEU A 4 3.904 -10.071 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.835 -10.827 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.002 -12.295 2.601 1.00 0.00 H new ATOM 0 HG LEU A 4 5.139 -10.553 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.960 -10.700 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.698 -12.237 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.403 -11.506 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.688 -8.603 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.342 -8.896 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.007 -8.553 2.056 1.00 0.00 H new ATOM 60 N LYS A 5 1.679 -10.676 3.611 1.00 0.00 N ATOM 61 CA LYS A 5 0.235 -10.701 3.659 1.00 0.00 C ATOM 62 C LYS A 5 -0.274 -9.277 3.862 1.00 0.00 C ATOM 63 O LYS A 5 0.520 -8.343 3.947 1.00 0.00 O ATOM 64 CB LYS A 5 -0.214 -11.639 4.796 1.00 0.00 C ATOM 65 CG LYS A 5 -1.691 -11.898 4.637 1.00 0.00 C ATOM 66 CD LYS A 5 -2.192 -13.303 4.962 1.00 0.00 C ATOM 67 CE LYS A 5 -3.710 -13.261 4.752 1.00 0.00 C ATOM 68 NZ LYS A 5 -4.317 -14.599 4.812 1.00 0.00 N ATOM 0 H LYS A 5 2.001 -9.728 3.418 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.182 -11.082 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.342 -12.576 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.010 -11.186 5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.228 -11.193 5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.965 -11.672 3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.727 -14.044 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.946 -13.579 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.163 -12.624 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.929 -12.808 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.344 -14.521 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.905 -15.201 4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.132 -15.023 5.744 1.00 0.00 H new ATOM 78 N LEU A 6 -1.590 -9.088 3.882 1.00 0.00 N ATOM 79 CA LEU A 6 -2.290 -7.921 4.325 1.00 0.00 C ATOM 80 C LEU A 6 -3.426 -8.388 5.235 1.00 0.00 C ATOM 81 O LEU A 6 -3.939 -9.495 5.072 1.00 0.00 O ATOM 82 CB LEU A 6 -2.800 -7.050 3.181 1.00 0.00 C ATOM 83 CG LEU A 6 -2.755 -7.491 1.716 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.288 -6.367 0.833 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.358 -7.864 1.206 1.00 0.00 C ATOM 0 H LEU A 6 -2.231 -9.814 3.560 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.600 -7.276 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.843 -6.824 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.251 -6.110 3.239 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.368 -8.391 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.257 -6.679 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.317 -6.140 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.672 -5.478 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.421 -8.164 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.695 -7.003 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.963 -8.690 1.797 1.00 0.00 H new ATOM 96 N ASP A 7 -3.816 -7.539 6.177 1.00 0.00 N ATOM 97 CA ASP A 7 -4.561 -7.921 7.380 1.00 0.00 C ATOM 98 C ASP A 7 -6.025 -7.505 7.247 1.00 0.00 C ATOM 99 O ASP A 7 -6.940 -8.275 7.539 1.00 0.00 O ATOM 100 CB ASP A 7 -3.917 -7.234 8.594 1.00 0.00 C ATOM 101 CG ASP A 7 -3.728 -8.171 9.782 1.00 0.00 C ATOM 102 OD1 ASP A 7 -4.722 -8.421 10.503 1.00 0.00 O ATOM 103 OD2 ASP A 7 -2.576 -8.595 10.027 1.00 0.00 O ATOM 0 H ASP A 7 -3.620 -6.539 6.129 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.527 -9.003 7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.949 -6.827 8.302 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.538 -6.392 8.899 1.00 0.00 H new ATOM 107 N ILE A 8 -6.205 -6.292 6.712 1.00 0.00 N ATOM 108 CA ILE A 8 -7.421 -5.684 6.188 1.00 0.00 C ATOM 109 C ILE A 8 -8.536 -5.520 7.225 1.00 0.00 C ATOM 110 O ILE A 8 -9.139 -6.477 7.705 1.00 0.00 O ATOM 111 CB ILE A 8 -7.878 -6.408 4.910 1.00 0.00 C ATOM 112 CG1 ILE A 8 -6.762 -6.417 3.855 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.103 -5.684 4.324 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.172 -7.058 2.533 1.00 0.00 C ATOM 0 H ILE A 8 -5.417 -5.650 6.630 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.171 -4.658 5.917 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.128 -7.436 5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.443 -5.392 3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.900 -6.951 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.429 -6.195 3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.912 -5.689 5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.837 -4.655 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.333 -7.028 1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.463 -8.094 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.014 -6.511 2.109 1.00 0.00 H new ATOM 125 N VAL A 9 -8.871 -4.259 7.488 1.00 0.00 N ATOM 126 CA VAL A 9 -9.860 -3.812 8.461 1.00 0.00 C ATOM 127 C VAL A 9 -10.632 -2.637 7.864 1.00 0.00 C ATOM 128 O VAL A 9 -10.167 -1.504 7.874 1.00 0.00 O ATOM 129 CB VAL A 9 -9.188 -3.483 9.814 1.00 0.00 C ATOM 130 CG1 VAL A 9 -10.252 -3.138 10.863 1.00 0.00 C ATOM 131 CG2 VAL A 9 -8.329 -4.643 10.345 1.00 0.00 C ATOM 0 H VAL A 9 -8.433 -3.478 6.999 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.575 -4.606 8.677 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.533 -2.630 9.637 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.767 -2.908 11.812 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.825 -2.273 10.529 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.922 -3.988 10.995 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.881 -4.358 11.297 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.955 -5.524 10.488 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.541 -4.871 9.627 1.00 0.00 H new ATOM 141 N GLU A 10 -11.792 -2.889 7.256 1.00 0.00 N ATOM 142 CA GLU A 10 -12.616 -1.791 6.765 1.00 0.00 C ATOM 143 C GLU A 10 -13.140 -1.018 7.981 1.00 0.00 C ATOM 144 O GLU A 10 -13.767 -1.595 8.875 1.00 0.00 O ATOM 145 CB GLU A 10 -13.739 -2.274 5.839 1.00 0.00 C ATOM 146 CG GLU A 10 -13.238 -2.701 4.444 1.00 0.00 C ATOM 147 CD GLU A 10 -14.376 -2.765 3.414 1.00 0.00 C ATOM 148 OE1 GLU A 10 -15.524 -3.080 3.811 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.156 -2.368 2.241 1.00 0.00 O ATOM 0 H GLU A 10 -12.173 -3.821 7.096 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.016 -1.126 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.250 -3.115 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.475 -1.478 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.479 -1.998 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.759 -3.677 4.515 1.00 0.00 H new ATOM 154 N GLN A 11 -12.822 0.273 8.054 1.00 0.00 N ATOM 155 CA GLN A 11 -13.187 1.167 9.134 1.00 0.00 C ATOM 156 C GLN A 11 -14.596 1.697 8.847 1.00 0.00 C ATOM 157 O GLN A 11 -15.441 0.975 8.312 1.00 0.00 O ATOM 158 CB GLN A 11 -12.120 2.263 9.306 1.00 0.00 C ATOM 159 CG GLN A 11 -12.006 2.834 10.739 1.00 0.00 C ATOM 160 CD GLN A 11 -12.743 4.155 10.946 1.00 0.00 C ATOM 161 OE1 GLN A 11 -12.641 5.042 10.117 1.00 0.00 O ATOM 162 NE2 GLN A 11 -13.564 4.291 11.969 1.00 0.00 N ATOM 0 H GLN A 11 -12.279 0.738 7.326 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.217 0.652 10.094 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.152 1.858 9.013 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.344 3.080 8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.396 2.099 11.443 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.952 2.977 10.978 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.646 3.545 12.660 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.118 5.142 12.069 1.00 0.00 H new ATOM 169 N ASP A 12 -14.862 2.946 9.213 1.00 0.00 N ATOM 170 CA ASP A 12 -16.141 3.624 9.027 1.00 0.00 C ATOM 171 C ASP A 12 -16.461 3.659 7.546 1.00 0.00 C ATOM 172 O ASP A 12 -17.465 3.086 7.114 1.00 0.00 O ATOM 173 CB ASP A 12 -16.058 5.058 9.569 1.00 0.00 C ATOM 174 CG ASP A 12 -17.330 5.895 9.362 1.00 0.00 C ATOM 175 OD1 ASP A 12 -17.499 6.488 8.271 1.00 0.00 O ATOM 176 OD2 ASP A 12 -18.106 6.077 10.322 1.00 0.00 O ATOM 0 H ASP A 12 -14.165 3.538 9.665 1.00 0.00 H new ATOM 0 HA ASP A 12 -16.922 3.089 9.567 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.835 5.017 10.635 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.222 5.566 9.088 1.00 0.00 H new ATOM 180 N ASP A 13 -15.563 4.303 6.796 1.00 0.00 N ATOM 181 CA ASP A 13 -15.718 4.595 5.375 1.00 0.00 C ATOM 182 C ASP A 13 -14.377 4.496 4.625 1.00 0.00 C ATOM 183 O ASP A 13 -14.294 4.732 3.421 1.00 0.00 O ATOM 184 CB ASP A 13 -16.344 5.973 5.172 1.00 0.00 C ATOM 185 CG ASP A 13 -16.868 6.211 3.754 1.00 0.00 C ATOM 186 OD1 ASP A 13 -17.523 5.316 3.174 1.00 0.00 O ATOM 187 OD2 ASP A 13 -16.595 7.316 3.218 1.00 0.00 O ATOM 0 H ASP A 13 -14.681 4.645 7.177 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.387 3.843 4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.165 6.096 5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.603 6.737 5.408 1.00 0.00 H new ATOM 191 N LYS A 14 -13.305 4.135 5.334 1.00 0.00 N ATOM 192 CA LYS A 14 -11.936 4.018 4.847 1.00 0.00 C ATOM 193 C LYS A 14 -11.482 2.585 5.090 1.00 0.00 C ATOM 194 O LYS A 14 -11.888 1.983 6.079 1.00 0.00 O ATOM 195 CB LYS A 14 -11.063 5.073 5.560 1.00 0.00 C ATOM 196 CG LYS A 14 -11.042 4.949 7.097 1.00 0.00 C ATOM 197 CD LYS A 14 -10.328 6.108 7.807 1.00 0.00 C ATOM 198 CE LYS A 14 -8.830 5.838 7.922 1.00 0.00 C ATOM 199 NZ LYS A 14 -8.092 6.990 8.484 1.00 0.00 N ATOM 0 H LYS A 14 -13.379 3.903 6.325 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.852 4.216 3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.042 4.994 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.424 6.066 5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.068 4.890 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.553 4.013 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.493 7.034 7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.753 6.248 8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.668 4.964 8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.430 5.599 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.098 6.724 8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.138 7.789 7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.520 7.268 9.390 1.00 0.00 H new ATOM 209 N ALA A 15 -10.693 2.017 4.183 1.00 0.00 N ATOM 210 CA ALA A 15 -10.275 0.620 4.252 1.00 0.00 C ATOM 211 C ALA A 15 -8.875 0.555 4.845 1.00 0.00 C ATOM 212 O ALA A 15 -7.939 1.006 4.183 1.00 0.00 O ATOM 213 CB ALA A 15 -10.324 -0.005 2.854 1.00 0.00 C ATOM 0 H ALA A 15 -10.323 2.516 3.374 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.950 0.052 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.011 -1.048 2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.342 0.048 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.654 0.539 2.188 1.00 0.00 H new ATOM 219 N ILE A 16 -8.707 0.069 6.080 1.00 0.00 N ATOM 220 CA ILE A 16 -7.376 -0.052 6.678 1.00 0.00 C ATOM 221 C ILE A 16 -6.761 -1.372 6.191 1.00 0.00 C ATOM 222 O ILE A 16 -6.883 -2.419 6.833 1.00 0.00 O ATOM 223 CB ILE A 16 -7.442 0.064 8.218 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.167 1.347 8.683 1.00 0.00 C ATOM 225 CG2 ILE A 16 -6.021 0.011 8.799 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.533 1.301 10.170 1.00 0.00 C ATOM 0 H ILE A 16 -9.470 -0.244 6.680 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.732 0.768 6.362 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.025 -0.779 8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.529 2.211 8.495 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.073 1.484 8.092 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.069 0.093 9.885 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.552 -0.934 8.527 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.433 0.837 8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.040 2.225 10.449 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.193 0.454 10.356 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.626 1.192 10.765 1.00 0.00 H new ATOM 237 N VAL A 17 -6.095 -1.359 5.040 1.00 0.00 N ATOM 238 CA VAL A 17 -5.286 -2.479 4.573 1.00 0.00 C ATOM 239 C VAL A 17 -3.945 -2.378 5.279 1.00 0.00 C ATOM 240 O VAL A 17 -2.977 -1.827 4.766 1.00 0.00 O ATOM 241 CB VAL A 17 -5.150 -2.480 3.042 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.358 -3.720 2.565 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.528 -2.493 2.373 1.00 0.00 C ATOM 0 H VAL A 17 -6.102 -0.564 4.401 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.761 -3.430 4.814 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.616 -1.572 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.273 -3.702 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.362 -3.708 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.880 -4.626 2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.407 -2.493 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.072 -3.387 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.087 -1.608 2.675 1.00 0.00 H new ATOM 253 N ARG A 18 -3.866 -2.938 6.478 1.00 0.00 N ATOM 254 CA ARG A 18 -2.549 -3.117 7.071 1.00 0.00 C ATOM 255 C ARG A 18 -1.787 -4.052 6.142 1.00 0.00 C ATOM 256 O ARG A 18 -2.330 -5.122 5.851 1.00 0.00 O ATOM 257 CB ARG A 18 -2.554 -3.741 8.465 1.00 0.00 C ATOM 258 CG ARG A 18 -3.243 -2.971 9.584 1.00 0.00 C ATOM 259 CD ARG A 18 -4.712 -3.368 9.829 1.00 0.00 C ATOM 260 NE ARG A 18 -5.029 -3.506 11.262 1.00 0.00 N ATOM 261 CZ ARG A 18 -4.868 -2.579 12.219 1.00 0.00 C ATOM 262 NH1 ARG A 18 -4.334 -1.387 11.957 1.00 0.00 N ATOM 263 NH2 ARG A 18 -5.242 -2.856 13.456 1.00 0.00 N ATOM 0 H ARG A 18 -4.656 -3.262 7.036 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.102 -2.130 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.026 -4.721 8.392 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.518 -3.908 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.682 -3.119 10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.202 -1.907 9.353 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.366 -2.617 9.386 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.920 -4.310 9.322 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.412 -4.404 11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.035 -1.159 11.009 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.224 -0.702 12.705 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.648 -3.766 13.674 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.125 -2.160 14.192 1.00 0.00 H new ATOM 274 N VAL A 19 -0.585 -3.716 5.679 1.00 0.00 N ATOM 275 CA VAL A 19 0.231 -4.651 4.930 1.00 0.00 C ATOM 276 C VAL A 19 1.279 -5.196 5.895 1.00 0.00 C ATOM 277 O VAL A 19 1.788 -4.472 6.755 1.00 0.00 O ATOM 278 CB VAL A 19 0.806 -3.896 3.726 1.00 0.00 C ATOM 279 CG1 VAL A 19 1.940 -4.641 3.028 1.00 0.00 C ATOM 280 CG2 VAL A 19 -0.285 -3.650 2.685 1.00 0.00 C ATOM 0 H VAL A 19 -0.159 -2.799 5.813 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.316 -5.506 4.531 1.00 0.00 H new ATOM 0 HB VAL A 19 1.200 -2.963 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.300 -4.050 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.756 -4.803 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.576 -5.603 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.137 -3.113 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.687 -4.605 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.084 -3.056 3.129 1.00 0.00 H new ATOM 290 N GLN A 20 1.608 -6.478 5.750 1.00 0.00 N ATOM 291 CA GLN A 20 2.707 -7.101 6.449 1.00 0.00 C ATOM 292 C GLN A 20 3.789 -7.478 5.444 1.00 0.00 C ATOM 293 O GLN A 20 3.523 -7.501 4.246 1.00 0.00 O ATOM 294 CB GLN A 20 2.170 -8.288 7.261 1.00 0.00 C ATOM 295 CG GLN A 20 1.263 -7.806 8.419 1.00 0.00 C ATOM 296 CD GLN A 20 1.386 -8.607 9.717 1.00 0.00 C ATOM 297 OE1 GLN A 20 2.481 -8.984 10.136 1.00 0.00 O ATOM 298 NE2 GLN A 20 0.289 -8.830 10.422 1.00 0.00 N ATOM 0 H GLN A 20 1.105 -7.115 5.132 1.00 0.00 H new ATOM 0 HA GLN A 20 3.172 -6.419 7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.607 -8.955 6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.003 -8.864 7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.495 -6.762 8.631 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.226 -7.841 8.086 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.616 -8.516 10.071 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.348 -9.316 11.317 1.00 0.00 H new ATOM 305 N GLY A 21 4.992 -7.774 5.935 1.00 0.00 N ATOM 306 CA GLY A 21 6.102 -8.360 5.206 1.00 0.00 C ATOM 307 C GLY A 21 6.821 -7.415 4.254 1.00 0.00 C ATOM 308 O GLY A 21 6.216 -6.677 3.485 1.00 0.00 O ATOM 0 H GLY A 21 5.225 -7.598 6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.825 -8.746 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.732 -9.213 4.636 1.00 0.00 H new ATOM 312 N ASP A 22 8.145 -7.493 4.297 1.00 0.00 N ATOM 313 CA ASP A 22 9.089 -6.866 3.366 1.00 0.00 C ATOM 314 C ASP A 22 8.616 -6.998 1.908 1.00 0.00 C ATOM 315 O ASP A 22 8.428 -8.110 1.410 1.00 0.00 O ATOM 316 CB ASP A 22 10.494 -7.440 3.571 1.00 0.00 C ATOM 317 CG ASP A 22 11.031 -7.110 4.959 1.00 0.00 C ATOM 318 OD1 ASP A 22 11.229 -5.908 5.258 1.00 0.00 O ATOM 319 OD2 ASP A 22 11.210 -8.053 5.763 1.00 0.00 O ATOM 0 H ASP A 22 8.622 -8.026 5.024 1.00 0.00 H new ATOM 0 HA ASP A 22 9.130 -5.798 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.471 -8.521 3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.167 -7.038 2.814 1.00 0.00 H new ATOM 323 N ILE A 23 8.350 -5.857 1.265 1.00 0.00 N ATOM 324 CA ILE A 23 7.725 -5.697 -0.046 1.00 0.00 C ATOM 325 C ILE A 23 8.792 -5.887 -1.132 1.00 0.00 C ATOM 326 O ILE A 23 9.875 -5.314 -1.046 1.00 0.00 O ATOM 327 CB ILE A 23 6.979 -4.336 -0.046 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.340 -3.943 -1.386 1.00 0.00 C ATOM 329 CG2 ILE A 23 7.855 -3.130 0.289 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.137 -3.017 -1.184 1.00 0.00 C ATOM 0 H ILE A 23 8.585 -4.956 1.681 1.00 0.00 H new ATOM 0 HA ILE A 23 6.971 -6.452 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 23 6.230 -4.534 0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.081 -3.447 -2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.024 -4.841 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.250 -2.223 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.282 -3.256 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.658 -3.049 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.710 -2.759 -2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.385 -3.524 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.459 -2.108 -0.676 1.00 0.00 H new ATOM 341 N ASP A 24 8.568 -6.763 -2.110 1.00 0.00 N ATOM 342 CA ASP A 24 9.672 -7.405 -2.831 1.00 0.00 C ATOM 343 C ASP A 24 9.145 -8.131 -4.057 1.00 0.00 C ATOM 344 O ASP A 24 7.931 -8.243 -4.210 1.00 0.00 O ATOM 345 CB ASP A 24 10.343 -8.415 -1.890 1.00 0.00 C ATOM 346 CG ASP A 24 11.804 -8.741 -2.185 1.00 0.00 C ATOM 347 OD1 ASP A 24 12.294 -8.473 -3.306 1.00 0.00 O ATOM 348 OD2 ASP A 24 12.481 -9.241 -1.265 1.00 0.00 O ATOM 0 H ASP A 24 7.639 -7.045 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 24 10.389 -6.650 -3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.276 -8.032 -0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.772 -9.343 -1.920 1.00 0.00 H new ATOM 352 N ALA A 25 10.011 -8.728 -4.874 1.00 0.00 N ATOM 353 CA ALA A 25 9.609 -9.654 -5.930 1.00 0.00 C ATOM 354 C ALA A 25 8.732 -10.799 -5.395 1.00 0.00 C ATOM 355 O ALA A 25 7.977 -11.399 -6.155 1.00 0.00 O ATOM 356 CB ALA A 25 10.852 -10.207 -6.618 1.00 0.00 C ATOM 0 H ALA A 25 11.019 -8.581 -4.821 1.00 0.00 H new ATOM 0 HA ALA A 25 9.004 -9.104 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.554 -10.898 -7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.423 -9.386 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.468 -10.732 -5.888 1.00 0.00 H new ATOM 362 N TYR A 26 8.809 -11.092 -4.095 1.00 0.00 N ATOM 363 CA TYR A 26 7.947 -12.033 -3.394 1.00 0.00 C ATOM 364 C TYR A 26 6.494 -11.568 -3.352 1.00 0.00 C ATOM 365 O TYR A 26 5.597 -12.375 -3.593 1.00 0.00 O ATOM 366 CB TYR A 26 8.471 -12.215 -1.961 1.00 0.00 C ATOM 367 CG TYR A 26 9.923 -12.653 -1.837 1.00 0.00 C ATOM 368 CD1 TYR A 26 10.403 -13.766 -2.552 1.00 0.00 C ATOM 369 CD2 TYR A 26 10.798 -11.968 -0.972 1.00 0.00 C ATOM 370 CE1 TYR A 26 11.731 -14.194 -2.387 1.00 0.00 C ATOM 371 CE2 TYR A 26 12.127 -12.394 -0.803 1.00 0.00 C ATOM 372 CZ TYR A 26 12.594 -13.534 -1.491 1.00 0.00 C ATOM 373 OH TYR A 26 13.862 -13.987 -1.312 1.00 0.00 O ATOM 0 H TYR A 26 9.502 -10.661 -3.483 1.00 0.00 H new ATOM 0 HA TYR A 26 7.969 -12.978 -3.937 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.349 -11.273 -1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.845 -12.951 -1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.748 -14.293 -3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.443 -11.103 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.094 -15.039 -2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.790 -11.849 -0.147 1.00 0.00 H new ATOM 0 HH TYR A 26 14.324 -13.418 -0.661 1.00 0.00 H new ATOM 382 N ASN A 27 6.244 -10.293 -3.028 1.00 0.00 N ATOM 383 CA ASN A 27 4.888 -9.760 -2.900 1.00 0.00 C ATOM 384 C ASN A 27 4.431 -9.028 -4.155 1.00 0.00 C ATOM 385 O ASN A 27 3.269 -8.661 -4.283 1.00 0.00 O ATOM 386 CB ASN A 27 4.735 -8.899 -1.646 1.00 0.00 C ATOM 387 CG ASN A 27 5.018 -7.420 -1.839 1.00 0.00 C ATOM 388 OD1 ASN A 27 5.729 -7.012 -2.745 1.00 0.00 O ATOM 389 ND2 ASN A 27 4.501 -6.580 -0.964 1.00 0.00 N ATOM 0 H ASN A 27 6.976 -9.606 -2.848 1.00 0.00 H new ATOM 0 HA ASN A 27 4.224 -10.616 -2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.719 -9.012 -1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.405 -9.283 -0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.694 -5.581 -1.040 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.908 -6.929 -0.211 1.00 0.00 H new ATOM 395 N SER A 28 5.341 -8.888 -5.105 1.00 0.00 N ATOM 396 CA SER A 28 5.124 -8.272 -6.413 1.00 0.00 C ATOM 397 C SER A 28 3.898 -8.856 -7.129 1.00 0.00 C ATOM 398 O SER A 28 3.283 -8.189 -7.966 1.00 0.00 O ATOM 399 CB SER A 28 6.398 -8.437 -7.253 1.00 0.00 C ATOM 400 OG SER A 28 6.388 -7.707 -8.471 1.00 0.00 O ATOM 0 H SER A 28 6.299 -9.215 -4.983 1.00 0.00 H new ATOM 0 HA SER A 28 4.914 -7.211 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.255 -8.120 -6.659 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.538 -9.495 -7.477 1.00 0.00 H new ATOM 0 HG SER A 28 5.885 -6.875 -8.349 1.00 0.00 H new ATOM 405 N SER A 29 3.533 -10.105 -6.824 1.00 0.00 N ATOM 406 CA SER A 29 2.298 -10.712 -7.276 1.00 0.00 C ATOM 407 C SER A 29 1.413 -11.184 -6.140 1.00 0.00 C ATOM 408 O SER A 29 0.264 -11.527 -6.412 1.00 0.00 O ATOM 409 CB SER A 29 2.602 -11.744 -8.354 1.00 0.00 C ATOM 410 OG SER A 29 3.643 -12.647 -8.006 1.00 0.00 O ATOM 0 H SER A 29 4.103 -10.724 -6.247 1.00 0.00 H new ATOM 0 HA SER A 29 1.674 -9.953 -7.747 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.696 -12.312 -8.566 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.875 -11.226 -9.273 1.00 0.00 H new ATOM 0 HG SER A 29 3.785 -13.281 -8.740 1.00 0.00 H new ATOM 415 N GLU A 30 1.882 -11.157 -4.893 1.00 0.00 N ATOM 416 CA GLU A 30 0.977 -11.312 -3.774 1.00 0.00 C ATOM 417 C GLU A 30 0.253 -9.997 -3.505 1.00 0.00 C ATOM 418 O GLU A 30 -0.893 -9.888 -3.908 1.00 0.00 O ATOM 419 CB GLU A 30 1.717 -11.824 -2.543 1.00 0.00 C ATOM 420 CG GLU A 30 0.667 -12.265 -1.516 1.00 0.00 C ATOM 421 CD GLU A 30 1.050 -13.470 -0.667 1.00 0.00 C ATOM 422 OE1 GLU A 30 1.540 -14.474 -1.237 1.00 0.00 O ATOM 423 OE2 GLU A 30 0.731 -13.456 0.540 1.00 0.00 O ATOM 0 H GLU A 30 2.863 -11.032 -4.643 1.00 0.00 H new ATOM 0 HA GLU A 30 0.225 -12.061 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.367 -12.658 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.354 -11.043 -2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.458 -11.426 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.259 -12.493 -2.043 1.00 0.00 H new ATOM 428 N LEU A 31 0.879 -8.978 -2.902 1.00 0.00 N ATOM 429 CA LEU A 31 0.294 -7.660 -2.648 1.00 0.00 C ATOM 430 C LEU A 31 -0.505 -7.135 -3.831 1.00 0.00 C ATOM 431 O LEU A 31 -1.617 -6.647 -3.664 1.00 0.00 O ATOM 432 CB LEU A 31 1.402 -6.661 -2.288 1.00 0.00 C ATOM 433 CG LEU A 31 0.874 -5.261 -1.930 1.00 0.00 C ATOM 434 CD1 LEU A 31 0.003 -5.292 -0.675 1.00 0.00 C ATOM 435 CD2 LEU A 31 2.051 -4.323 -1.679 1.00 0.00 C ATOM 0 H LEU A 31 1.839 -9.054 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.399 -7.772 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.973 -7.052 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.091 -6.577 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 31 0.269 -4.911 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.352 -4.285 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.851 -5.949 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.589 -5.664 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.678 -3.331 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.652 -4.706 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.665 -4.261 -2.578 1.00 0.00 H new ATOM 446 N LYS A 32 0.043 -7.252 -5.038 1.00 0.00 N ATOM 447 CA LYS A 32 -0.653 -6.846 -6.248 1.00 0.00 C ATOM 448 C LYS A 32 -2.002 -7.548 -6.374 1.00 0.00 C ATOM 449 O LYS A 32 -2.989 -6.874 -6.670 1.00 0.00 O ATOM 450 CB LYS A 32 0.249 -7.176 -7.447 1.00 0.00 C ATOM 451 CG LYS A 32 -0.272 -6.421 -8.677 1.00 0.00 C ATOM 452 CD LYS A 32 0.805 -6.220 -9.740 1.00 0.00 C ATOM 453 CE LYS A 32 1.263 -7.521 -10.395 1.00 0.00 C ATOM 454 NZ LYS A 32 2.137 -7.225 -11.543 1.00 0.00 N ATOM 0 H LYS A 32 0.977 -7.629 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.857 -5.776 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.279 -6.889 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.250 -8.250 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.107 -6.972 -9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.657 -5.450 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.424 -5.549 -10.510 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.665 -5.728 -9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.797 -8.135 -9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.398 -8.096 -10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.445 -8.115 -11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.614 -6.656 -12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.970 -6.694 -11.217 1.00 0.00 H new ATOM 464 N GLU A 33 -2.058 -8.866 -6.174 1.00 0.00 N ATOM 465 CA GLU A 33 -3.292 -9.625 -6.267 1.00 0.00 C ATOM 466 C GLU A 33 -4.213 -9.288 -5.091 1.00 0.00 C ATOM 467 O GLU A 33 -5.396 -9.011 -5.294 1.00 0.00 O ATOM 468 CB GLU A 33 -3.034 -11.122 -6.508 1.00 0.00 C ATOM 469 CG GLU A 33 -3.021 -12.068 -5.303 1.00 0.00 C ATOM 470 CD GLU A 33 -3.281 -13.542 -5.673 1.00 0.00 C ATOM 471 OE1 GLU A 33 -3.549 -13.860 -6.860 1.00 0.00 O ATOM 472 OE2 GLU A 33 -3.316 -14.397 -4.756 1.00 0.00 O ATOM 0 H GLU A 33 -1.242 -9.433 -5.943 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.841 -9.321 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.794 -11.481 -7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.072 -11.215 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.056 -11.992 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.777 -11.743 -4.588 1.00 0.00 H new ATOM 477 N GLN A 34 -3.642 -9.210 -3.884 1.00 0.00 N ATOM 478 CA GLN A 34 -4.328 -8.909 -2.627 1.00 0.00 C ATOM 479 C GLN A 34 -4.938 -7.508 -2.624 1.00 0.00 C ATOM 480 O GLN A 34 -5.656 -7.175 -1.686 1.00 0.00 O ATOM 481 CB GLN A 34 -3.342 -8.964 -1.447 1.00 0.00 C ATOM 482 CG GLN A 34 -2.628 -10.287 -1.207 1.00 0.00 C ATOM 483 CD GLN A 34 -3.429 -11.308 -0.407 1.00 0.00 C ATOM 484 OE1 GLN A 34 -4.330 -10.977 0.362 1.00 0.00 O ATOM 485 NE2 GLN A 34 -3.106 -12.575 -0.562 1.00 0.00 N ATOM 0 H GLN A 34 -2.642 -9.363 -3.753 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.115 -9.657 -2.527 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.586 -8.194 -1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.885 -8.702 -0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.368 -10.724 -2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.692 -10.089 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.357 -12.836 -1.203 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.605 -13.296 -0.041 1.00 0.00 H new ATOM 492 N LEU A 35 -4.620 -6.665 -3.611 1.00 0.00 N ATOM 493 CA LEU A 35 -5.127 -5.316 -3.696 1.00 0.00 C ATOM 494 C LEU A 35 -5.960 -5.131 -4.932 1.00 0.00 C ATOM 495 O LEU A 35 -6.934 -4.431 -4.775 1.00 0.00 O ATOM 496 CB LEU A 35 -4.020 -4.283 -3.737 1.00 0.00 C ATOM 497 CG LEU A 35 -3.217 -4.093 -2.440 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.185 -2.973 -2.600 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.071 -3.782 -1.206 1.00 0.00 C ATOM 0 H LEU A 35 -3.995 -6.915 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.726 -5.169 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.326 -4.557 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.458 -3.323 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.735 -5.056 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.628 -2.856 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.496 -3.225 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.695 -2.039 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.424 -3.663 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.628 -2.860 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.768 -4.601 -1.030 1.00 0.00 H new ATOM 510 N ARG A 36 -5.659 -5.672 -6.121 1.00 0.00 N ATOM 511 CA ARG A 36 -6.599 -5.611 -7.248 1.00 0.00 C ATOM 512 C ARG A 36 -7.893 -6.339 -6.909 1.00 0.00 C ATOM 513 O ARG A 36 -8.968 -5.838 -7.240 1.00 0.00 O ATOM 514 CB ARG A 36 -5.980 -6.172 -8.543 1.00 0.00 C ATOM 515 CG ARG A 36 -5.633 -7.667 -8.459 1.00 0.00 C ATOM 516 CD ARG A 36 -4.808 -8.209 -9.629 1.00 0.00 C ATOM 517 NE ARG A 36 -5.658 -8.577 -10.770 1.00 0.00 N ATOM 518 CZ ARG A 36 -5.865 -7.879 -11.889 1.00 0.00 C ATOM 519 NH1 ARG A 36 -5.271 -6.711 -12.091 1.00 0.00 N ATOM 520 NH2 ARG A 36 -6.648 -8.356 -12.846 1.00 0.00 N ATOM 0 H ARG A 36 -4.782 -6.151 -6.326 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.827 -4.560 -7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.676 -6.014 -9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.076 -5.610 -8.777 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.084 -7.845 -7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.560 -8.236 -8.394 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.084 -7.457 -9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.241 -9.081 -9.302 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.147 -9.470 -10.699 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.642 -6.330 -11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.443 -6.194 -12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.099 -9.264 -12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.800 -7.815 -13.697 1.00 0.00 H new ATOM 531 N ASN A 37 -7.802 -7.508 -6.262 1.00 0.00 N ATOM 532 CA ASN A 37 -8.982 -8.292 -5.950 1.00 0.00 C ATOM 533 C ASN A 37 -9.715 -7.599 -4.811 1.00 0.00 C ATOM 534 O ASN A 37 -10.935 -7.462 -4.850 1.00 0.00 O ATOM 535 CB ASN A 37 -8.626 -9.745 -5.591 1.00 0.00 C ATOM 536 CG ASN A 37 -9.877 -10.601 -5.366 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.977 -10.289 -5.821 1.00 0.00 O ATOM 538 ND2 ASN A 37 -9.740 -11.725 -4.691 1.00 0.00 N ATOM 0 H ASN A 37 -6.924 -7.922 -5.950 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.626 -8.351 -6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.027 -10.180 -6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.012 -9.756 -4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.545 -12.335 -4.547 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.829 -11.985 -4.313 1.00 0.00 H new ATOM 544 N PHE A 38 -8.963 -7.068 -3.842 1.00 0.00 N ATOM 545 CA PHE A 38 -9.558 -6.386 -2.715 1.00 0.00 C ATOM 546 C PHE A 38 -10.137 -5.053 -3.147 1.00 0.00 C ATOM 547 O PHE A 38 -11.189 -4.693 -2.653 1.00 0.00 O ATOM 548 CB PHE A 38 -8.565 -6.219 -1.573 1.00 0.00 C ATOM 549 CG PHE A 38 -9.076 -5.331 -0.459 1.00 0.00 C ATOM 550 CD1 PHE A 38 -10.204 -5.689 0.302 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.491 -4.068 -0.288 1.00 0.00 C ATOM 552 CE1 PHE A 38 -10.739 -4.772 1.223 1.00 0.00 C ATOM 553 CE2 PHE A 38 -9.063 -3.124 0.571 1.00 0.00 C ATOM 554 CZ PHE A 38 -10.175 -3.491 1.353 1.00 0.00 C ATOM 0 H PHE A 38 -7.944 -7.103 -3.826 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.373 -7.004 -2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.324 -7.200 -1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.638 -5.801 -1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.656 -6.662 0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.588 -3.821 -0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.586 -5.052 1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.657 -2.125 0.634 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.596 -2.786 2.055 1.00 0.00 H new ATOM 563 N ILE A 39 -9.528 -4.321 -4.078 1.00 0.00 N ATOM 564 CA ILE A 39 -10.190 -3.161 -4.678 1.00 0.00 C ATOM 565 C ILE A 39 -11.512 -3.527 -5.337 1.00 0.00 C ATOM 566 O ILE A 39 -12.405 -2.684 -5.344 1.00 0.00 O ATOM 567 CB ILE A 39 -9.219 -2.442 -5.626 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.599 -1.252 -4.866 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.774 -1.977 -6.979 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.135 -1.019 -5.206 1.00 0.00 C ATOM 0 H ILE A 39 -8.589 -4.506 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.457 -2.462 -3.885 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.484 -3.195 -5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.166 -0.349 -5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.693 -1.426 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.984 -1.486 -7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.141 -2.838 -7.537 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.592 -1.276 -6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.760 -0.168 -4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.557 -1.908 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.037 -0.814 -6.272 1.00 0.00 H new ATOM 581 N SER A 40 -11.654 -4.737 -5.876 1.00 0.00 N ATOM 582 CA SER A 40 -12.929 -5.218 -6.365 1.00 0.00 C ATOM 583 C SER A 40 -13.881 -5.418 -5.177 1.00 0.00 C ATOM 584 O SER A 40 -14.979 -4.863 -5.212 1.00 0.00 O ATOM 585 CB SER A 40 -12.704 -6.474 -7.219 1.00 0.00 C ATOM 586 OG SER A 40 -13.271 -6.293 -8.507 1.00 0.00 O ATOM 0 H SER A 40 -10.888 -5.402 -5.982 1.00 0.00 H new ATOM 0 HA SER A 40 -13.409 -4.491 -7.020 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.637 -6.677 -7.308 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.154 -7.340 -6.733 1.00 0.00 H new ATOM 0 HG SER A 40 -13.122 -7.098 -9.046 1.00 0.00 H new ATOM 591 N THR A 41 -13.464 -6.108 -4.104 1.00 0.00 N ATOM 592 CA THR A 41 -14.245 -6.290 -2.897 1.00 0.00 C ATOM 593 C THR A 41 -14.677 -4.961 -2.281 1.00 0.00 C ATOM 594 O THR A 41 -15.815 -4.843 -1.825 1.00 0.00 O ATOM 595 CB THR A 41 -13.409 -7.052 -1.868 1.00 0.00 C ATOM 596 OG1 THR A 41 -12.746 -8.187 -2.405 1.00 0.00 O ATOM 597 CG2 THR A 41 -14.253 -7.426 -0.653 1.00 0.00 C ATOM 0 H THR A 41 -12.551 -6.561 -4.063 1.00 0.00 H new ATOM 0 HA THR A 41 -15.142 -6.846 -3.169 1.00 0.00 H new ATOM 0 HB THR A 41 -12.620 -6.371 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.229 -8.628 -1.699 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.637 -7.967 0.065 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.642 -6.520 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.084 -8.058 -0.968 1.00 0.00 H new ATOM 605 N THR A 42 -13.741 -4.025 -2.138 1.00 0.00 N ATOM 606 CA THR A 42 -13.782 -3.091 -1.035 1.00 0.00 C ATOM 607 C THR A 42 -14.972 -2.170 -1.200 1.00 0.00 C ATOM 608 O THR A 42 -15.215 -1.550 -2.239 1.00 0.00 O ATOM 609 CB THR A 42 -12.441 -2.377 -0.847 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.422 -1.620 0.353 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.078 -1.461 -2.012 1.00 0.00 C ATOM 0 H THR A 42 -12.952 -3.900 -2.773 1.00 0.00 H new ATOM 0 HA THR A 42 -13.930 -3.628 -0.098 1.00 0.00 H new ATOM 0 HB THR A 42 -11.697 -3.172 -0.799 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.947 -2.082 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.117 -0.986 -1.816 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.012 -2.047 -2.929 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.845 -0.695 -2.125 1.00 0.00 H new ATOM 619 N SER A 43 -15.733 -2.144 -0.127 1.00 0.00 N ATOM 620 CA SER A 43 -16.896 -1.337 0.063 1.00 0.00 C ATOM 621 C SER A 43 -16.500 0.107 0.366 1.00 0.00 C ATOM 622 O SER A 43 -17.254 1.016 0.020 1.00 0.00 O ATOM 623 CB SER A 43 -17.626 -2.027 1.204 1.00 0.00 C ATOM 624 OG SER A 43 -18.268 -3.165 0.683 1.00 0.00 O ATOM 0 H SER A 43 -15.533 -2.729 0.684 1.00 0.00 H new ATOM 0 HA SER A 43 -17.535 -1.258 -0.816 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.925 -2.311 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.353 -1.352 1.655 1.00 0.00 H new ATOM 0 HG SER A 43 -18.746 -3.629 1.402 1.00 0.00 H new ATOM 629 N LYS A 44 -15.326 0.329 0.965 1.00 0.00 N ATOM 630 CA LYS A 44 -14.839 1.632 1.412 1.00 0.00 C ATOM 631 C LYS A 44 -13.896 2.212 0.367 1.00 0.00 C ATOM 632 O LYS A 44 -13.219 1.470 -0.337 1.00 0.00 O ATOM 633 CB LYS A 44 -14.154 1.450 2.771 1.00 0.00 C ATOM 634 CG LYS A 44 -15.161 1.416 3.935 1.00 0.00 C ATOM 635 CD LYS A 44 -16.168 0.264 3.904 1.00 0.00 C ATOM 636 CE LYS A 44 -16.684 -0.079 5.305 1.00 0.00 C ATOM 637 NZ LYS A 44 -17.169 -1.475 5.377 1.00 0.00 N ATOM 0 H LYS A 44 -14.666 -0.424 1.158 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.661 2.338 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.579 0.524 2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.446 2.263 2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.605 1.364 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.712 2.356 3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.008 0.533 3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.700 -0.616 3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.887 0.068 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.491 0.602 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.940 -1.874 6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.199 -1.492 5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.709 -2.041 4.636 1.00 0.00 H new ATOM 647 N LYS A 45 -13.864 3.538 0.245 1.00 0.00 N ATOM 648 CA LYS A 45 -13.177 4.222 -0.848 1.00 0.00 C ATOM 649 C LYS A 45 -11.775 4.624 -0.467 1.00 0.00 C ATOM 650 O LYS A 45 -10.873 4.415 -1.272 1.00 0.00 O ATOM 651 CB LYS A 45 -13.995 5.418 -1.350 1.00 0.00 C ATOM 652 CG LYS A 45 -15.196 4.909 -2.160 1.00 0.00 C ATOM 653 CD LYS A 45 -16.271 5.970 -2.387 1.00 0.00 C ATOM 654 CE LYS A 45 -15.760 7.089 -3.293 1.00 0.00 C ATOM 655 NZ LYS A 45 -16.813 8.094 -3.520 1.00 0.00 N ATOM 0 H LYS A 45 -14.316 4.171 0.905 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.087 3.514 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.338 6.018 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.373 6.065 -1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.845 4.546 -3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.640 4.059 -1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.152 5.509 -2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.582 6.387 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.889 7.563 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.436 6.673 -4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.447 8.846 -4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.633 7.642 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.103 8.504 -2.610 1.00 0.00 H new ATOM 665 N LYS A 46 -11.545 5.174 0.731 1.00 0.00 N ATOM 666 CA LYS A 46 -10.162 5.329 1.198 1.00 0.00 C ATOM 667 C LYS A 46 -9.549 3.959 1.266 1.00 0.00 C ATOM 668 O LYS A 46 -10.206 3.093 1.810 1.00 0.00 O ATOM 669 CB LYS A 46 -10.034 6.139 2.501 1.00 0.00 C ATOM 670 CG LYS A 46 -9.650 7.611 2.257 1.00 0.00 C ATOM 671 CD LYS A 46 -10.743 8.463 1.575 1.00 0.00 C ATOM 672 CE LYS A 46 -11.261 9.653 2.401 1.00 0.00 C ATOM 673 NZ LYS A 46 -11.947 9.234 3.641 1.00 0.00 N ATOM 0 H LYS A 46 -12.265 5.507 1.372 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.603 5.938 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.980 6.100 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.283 5.674 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.397 8.069 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.751 7.640 1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.350 8.841 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.586 7.816 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.425 10.304 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.948 10.241 1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.275 10.075 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.763 8.635 3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.287 8.697 4.238 1.00 0.00 H new ATOM 683 N ILE A 47 -8.338 3.751 0.753 1.00 0.00 N ATOM 684 CA ILE A 47 -7.606 2.510 0.936 1.00 0.00 C ATOM 685 C ILE A 47 -6.284 2.943 1.549 1.00 0.00 C ATOM 686 O ILE A 47 -5.474 3.593 0.897 1.00 0.00 O ATOM 687 CB ILE A 47 -7.456 1.682 -0.363 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.692 1.635 -1.292 1.00 0.00 C ATOM 689 CG2 ILE A 47 -7.059 0.250 0.030 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.940 0.919 -0.775 1.00 0.00 C ATOM 0 H ILE A 47 -7.839 4.445 0.197 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.139 1.814 1.584 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.695 2.192 -0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.969 2.661 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.393 1.157 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.947 -0.356 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.115 0.271 0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.834 -0.181 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.725 0.965 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.700 -0.123 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.286 1.404 0.138 1.00 0.00 H new ATOM 701 N VAL A 48 -6.135 2.704 2.842 1.00 0.00 N ATOM 702 CA VAL A 48 -5.009 3.114 3.664 1.00 0.00 C ATOM 703 C VAL A 48 -4.115 1.907 3.845 1.00 0.00 C ATOM 704 O VAL A 48 -4.601 0.839 4.206 1.00 0.00 O ATOM 705 CB VAL A 48 -5.536 3.625 5.020 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.393 4.165 5.885 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.635 4.681 4.832 1.00 0.00 C ATOM 0 H VAL A 48 -6.836 2.190 3.375 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.443 3.920 3.197 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.981 2.778 5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.792 4.519 6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.669 3.371 6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.903 4.990 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.984 5.020 5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.234 5.528 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.468 4.245 4.280 1.00 0.00 H new ATOM 717 N LEU A 49 -2.819 2.059 3.593 1.00 0.00 N ATOM 718 CA LEU A 49 -1.883 0.949 3.524 1.00 0.00 C ATOM 719 C LEU A 49 -0.819 1.104 4.594 1.00 0.00 C ATOM 720 O LEU A 49 0.037 1.957 4.454 1.00 0.00 O ATOM 721 CB LEU A 49 -1.283 0.852 2.115 1.00 0.00 C ATOM 722 CG LEU A 49 -2.086 0.154 1.005 1.00 0.00 C ATOM 723 CD1 LEU A 49 -2.355 -1.324 1.291 1.00 0.00 C ATOM 724 CD2 LEU A 49 -3.383 0.889 0.686 1.00 0.00 C ATOM 0 H LEU A 49 -2.387 2.968 3.429 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.406 0.013 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.071 1.867 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.326 0.338 2.201 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.449 0.192 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.925 -1.756 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.408 -1.853 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.924 -1.418 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.917 0.360 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.006 0.932 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.155 1.902 0.354 1.00 0.00 H new ATOM 735 N ASP A 50 -0.886 0.364 5.698 1.00 0.00 N ATOM 736 CA ASP A 50 0.063 0.427 6.824 1.00 0.00 C ATOM 737 C ASP A 50 1.339 -0.315 6.418 1.00 0.00 C ATOM 738 O ASP A 50 1.201 -1.434 5.926 1.00 0.00 O ATOM 739 CB ASP A 50 -0.529 -0.350 8.007 1.00 0.00 C ATOM 740 CG ASP A 50 0.149 -0.089 9.342 1.00 0.00 C ATOM 741 OD1 ASP A 50 1.393 -0.246 9.403 1.00 0.00 O ATOM 742 OD2 ASP A 50 -0.592 0.105 10.328 1.00 0.00 O ATOM 0 H ASP A 50 -1.626 -0.322 5.846 1.00 0.00 H new ATOM 0 HA ASP A 50 0.260 1.467 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.586 -0.099 8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.472 -1.416 7.789 1.00 0.00 H new ATOM 746 N LEU A 51 2.555 0.229 6.603 1.00 0.00 N ATOM 747 CA LEU A 51 3.769 -0.525 6.312 1.00 0.00 C ATOM 748 C LEU A 51 4.608 -0.886 7.513 1.00 0.00 C ATOM 749 O LEU A 51 5.732 -1.343 7.345 1.00 0.00 O ATOM 750 CB LEU A 51 4.599 0.153 5.224 1.00 0.00 C ATOM 751 CG LEU A 51 3.972 0.187 3.830 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.747 -1.231 3.291 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.693 0.983 3.644 1.00 0.00 C ATOM 0 H LEU A 51 2.714 1.176 6.948 1.00 0.00 H new ATOM 0 HA LEU A 51 3.414 -1.484 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.803 1.178 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.560 -0.357 5.157 1.00 0.00 H new ATOM 0 HG LEU A 51 4.724 0.735 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.300 -1.176 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.702 -1.753 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.079 -1.773 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.369 0.914 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.916 0.581 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.874 2.027 3.899 1.00 0.00 H new ATOM 764 N SER A 52 4.102 -0.775 8.723 1.00 0.00 N ATOM 765 CA SER A 52 4.881 -1.011 9.934 1.00 0.00 C ATOM 766 C SER A 52 5.545 -2.407 9.958 1.00 0.00 C ATOM 767 O SER A 52 6.613 -2.574 10.554 1.00 0.00 O ATOM 768 CB SER A 52 3.963 -0.842 11.146 1.00 0.00 C ATOM 769 OG SER A 52 2.782 -1.618 11.025 1.00 0.00 O ATOM 0 H SER A 52 3.132 -0.517 8.902 1.00 0.00 H new ATOM 0 HA SER A 52 5.693 -0.284 9.960 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.498 -1.133 12.050 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.697 0.209 11.257 1.00 0.00 H new ATOM 0 HG SER A 52 2.062 -1.063 10.659 1.00 0.00 H new ATOM 774 N SER A 53 4.943 -3.418 9.310 1.00 0.00 N ATOM 775 CA SER A 53 5.451 -4.789 9.267 1.00 0.00 C ATOM 776 C SER A 53 6.333 -5.060 8.041 1.00 0.00 C ATOM 777 O SER A 53 6.669 -6.206 7.748 1.00 0.00 O ATOM 778 CB SER A 53 4.256 -5.736 9.284 1.00 0.00 C ATOM 779 OG SER A 53 3.935 -6.093 10.609 1.00 0.00 O ATOM 0 H SER A 53 4.072 -3.297 8.793 1.00 0.00 H new ATOM 0 HA SER A 53 6.089 -4.949 10.136 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.398 -5.259 8.811 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.484 -6.630 8.704 1.00 0.00 H new ATOM 0 HG SER A 53 3.496 -6.969 10.614 1.00 0.00 H new ATOM 784 N VAL A 54 6.682 -4.018 7.307 1.00 0.00 N ATOM 785 CA VAL A 54 7.571 -3.998 6.165 1.00 0.00 C ATOM 786 C VAL A 54 8.788 -3.186 6.638 1.00 0.00 C ATOM 787 O VAL A 54 8.656 -2.402 7.583 1.00 0.00 O ATOM 788 CB VAL A 54 6.776 -3.367 4.996 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.487 -3.507 3.658 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.362 -3.968 4.839 1.00 0.00 C ATOM 0 H VAL A 54 6.319 -3.088 7.514 1.00 0.00 H new ATOM 0 HA VAL A 54 7.924 -4.965 5.807 1.00 0.00 H new ATOM 0 HB VAL A 54 6.699 -2.313 5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.884 -3.047 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.456 -3.011 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.631 -4.563 3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.853 -3.487 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.441 -5.038 4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.793 -3.804 5.754 1.00 0.00 H new ATOM 800 N SER A 55 9.967 -3.354 6.036 1.00 0.00 N ATOM 801 CA SER A 55 11.162 -2.585 6.367 1.00 0.00 C ATOM 802 C SER A 55 12.107 -2.430 5.189 1.00 0.00 C ATOM 803 O SER A 55 12.818 -1.422 5.090 1.00 0.00 O ATOM 804 CB SER A 55 11.914 -3.318 7.466 1.00 0.00 C ATOM 805 OG SER A 55 12.004 -2.477 8.596 1.00 0.00 O ATOM 0 H SER A 55 10.118 -4.038 5.295 1.00 0.00 H new ATOM 0 HA SER A 55 10.835 -1.591 6.674 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.398 -4.243 7.724 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.910 -3.595 7.121 1.00 0.00 H new ATOM 0 HG SER A 55 12.486 -2.941 9.312 1.00 0.00 H new ATOM 810 N TYR A 56 12.092 -3.402 4.292 1.00 0.00 N ATOM 811 CA TYR A 56 12.757 -3.370 3.014 1.00 0.00 C ATOM 812 C TYR A 56 11.712 -3.204 1.934 1.00 0.00 C ATOM 813 O TYR A 56 10.554 -3.577 2.139 1.00 0.00 O ATOM 814 CB TYR A 56 13.535 -4.681 2.862 1.00 0.00 C ATOM 815 CG TYR A 56 13.883 -5.069 1.435 1.00 0.00 C ATOM 816 CD1 TYR A 56 12.968 -5.792 0.631 1.00 0.00 C ATOM 817 CD2 TYR A 56 15.110 -4.641 0.893 1.00 0.00 C ATOM 818 CE1 TYR A 56 13.294 -6.091 -0.698 1.00 0.00 C ATOM 819 CE2 TYR A 56 15.437 -4.949 -0.438 1.00 0.00 C ATOM 820 CZ TYR A 56 14.534 -5.681 -1.239 1.00 0.00 C ATOM 821 OH TYR A 56 14.875 -5.977 -2.521 1.00 0.00 O ATOM 0 H TYR A 56 11.589 -4.275 4.450 1.00 0.00 H new ATOM 0 HA TYR A 56 13.456 -2.537 2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.459 -4.604 3.436 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.949 -5.485 3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.022 -6.112 1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.800 -4.075 1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 56 12.594 -6.638 -1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.382 -4.625 -0.849 1.00 0.00 H new ATOM 0 HH TYR A 56 15.764 -5.612 -2.716 1.00 0.00 H new ATOM 830 N MET A 57 12.133 -2.644 0.802 1.00 0.00 N ATOM 831 CA MET A 57 11.305 -2.496 -0.366 1.00 0.00 C ATOM 832 C MET A 57 12.173 -2.600 -1.600 1.00 0.00 C ATOM 833 O MET A 57 13.106 -1.817 -1.765 1.00 0.00 O ATOM 834 CB MET A 57 10.543 -1.181 -0.277 1.00 0.00 C ATOM 835 CG MET A 57 9.767 -0.783 -1.532 1.00 0.00 C ATOM 836 SD MET A 57 8.622 0.570 -1.164 1.00 0.00 S ATOM 837 CE MET A 57 7.470 0.270 -2.512 1.00 0.00 C ATOM 0 H MET A 57 13.077 -2.278 0.681 1.00 0.00 H new ATOM 0 HA MET A 57 10.561 -3.290 -0.428 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.844 -1.242 0.557 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.251 -0.386 -0.042 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.461 -0.478 -2.315 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.215 -1.642 -1.913 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.604 0.924 -2.403 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.962 0.474 -3.463 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.145 -0.770 -2.488 1.00 0.00 H new ATOM 845 N ASP A 58 11.849 -3.563 -2.455 1.00 0.00 N ATOM 846 CA ASP A 58 12.500 -3.718 -3.745 1.00 0.00 C ATOM 847 C ASP A 58 11.923 -2.719 -4.749 1.00 0.00 C ATOM 848 O ASP A 58 10.816 -2.205 -4.569 1.00 0.00 O ATOM 849 CB ASP A 58 12.242 -5.139 -4.267 1.00 0.00 C ATOM 850 CG ASP A 58 13.083 -5.493 -5.493 1.00 0.00 C ATOM 851 OD1 ASP A 58 14.146 -4.864 -5.697 1.00 0.00 O ATOM 852 OD2 ASP A 58 12.673 -6.397 -6.247 1.00 0.00 O ATOM 0 H ASP A 58 11.126 -4.258 -2.270 1.00 0.00 H new ATOM 0 HA ASP A 58 13.569 -3.540 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.452 -5.855 -3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.186 -5.241 -4.517 1.00 0.00 H new ATOM 856 N SER A 59 12.600 -2.580 -5.888 1.00 0.00 N ATOM 857 CA SER A 59 12.112 -2.017 -7.138 1.00 0.00 C ATOM 858 C SER A 59 10.732 -2.583 -7.517 1.00 0.00 C ATOM 859 O SER A 59 9.916 -1.898 -8.134 1.00 0.00 O ATOM 860 CB SER A 59 13.159 -2.370 -8.207 1.00 0.00 C ATOM 861 OG SER A 59 13.068 -1.526 -9.335 1.00 0.00 O ATOM 0 H SER A 59 13.572 -2.880 -5.963 1.00 0.00 H new ATOM 0 HA SER A 59 11.981 -0.939 -7.047 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.157 -2.293 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.025 -3.406 -8.518 1.00 0.00 H new ATOM 0 HG SER A 59 13.750 -1.781 -9.990 1.00 0.00 H new ATOM 866 N ALA A 60 10.439 -3.822 -7.112 1.00 0.00 N ATOM 867 CA ALA A 60 9.188 -4.480 -7.417 1.00 0.00 C ATOM 868 C ALA A 60 8.052 -3.817 -6.650 1.00 0.00 C ATOM 869 O ALA A 60 6.959 -3.680 -7.190 1.00 0.00 O ATOM 870 CB ALA A 60 9.286 -5.953 -7.032 1.00 0.00 C ATOM 0 H ALA A 60 11.077 -4.393 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 60 8.986 -4.397 -8.485 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.344 -6.452 -7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.092 -6.423 -7.595 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.492 -6.037 -5.965 1.00 0.00 H new ATOM 876 N GLY A 61 8.312 -3.395 -5.411 1.00 0.00 N ATOM 877 CA GLY A 61 7.363 -2.786 -4.501 1.00 0.00 C ATOM 878 C GLY A 61 6.615 -1.636 -5.150 1.00 0.00 C ATOM 879 O GLY A 61 5.387 -1.608 -5.228 1.00 0.00 O ATOM 0 H GLY A 61 9.243 -3.477 -5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.650 -3.538 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.888 -2.425 -3.617 1.00 0.00 H new ATOM 883 N LEU A 62 7.381 -0.652 -5.606 1.00 0.00 N ATOM 884 CA LEU A 62 6.857 0.603 -6.117 1.00 0.00 C ATOM 885 C LEU A 62 6.133 0.346 -7.422 1.00 0.00 C ATOM 886 O LEU A 62 5.008 0.811 -7.570 1.00 0.00 O ATOM 887 CB LEU A 62 7.934 1.688 -6.279 1.00 0.00 C ATOM 888 CG LEU A 62 9.353 1.230 -6.661 1.00 0.00 C ATOM 889 CD1 LEU A 62 10.100 2.324 -7.421 1.00 0.00 C ATOM 890 CD2 LEU A 62 10.135 0.883 -5.390 1.00 0.00 C ATOM 0 H LEU A 62 8.399 -0.707 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 62 6.158 0.996 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.592 2.391 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.000 2.239 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 62 9.267 0.355 -7.306 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.099 1.972 -7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.556 2.569 -8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.178 3.213 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.140 0.558 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.197 1.763 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.625 0.081 -4.857 1.00 0.00 H new ATOM 901 N GLY A 63 6.727 -0.448 -8.310 1.00 0.00 N ATOM 902 CA GLY A 63 6.138 -0.854 -9.578 1.00 0.00 C ATOM 903 C GLY A 63 4.855 -1.666 -9.400 1.00 0.00 C ATOM 904 O GLY A 63 4.039 -1.750 -10.325 1.00 0.00 O ATOM 0 H GLY A 63 7.658 -0.836 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.922 0.033 -10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.863 -1.445 -10.138 1.00 0.00 H new ATOM 908 N THR A 64 4.651 -2.254 -8.223 1.00 0.00 N ATOM 909 CA THR A 64 3.500 -3.066 -7.876 1.00 0.00 C ATOM 910 C THR A 64 2.435 -2.158 -7.286 1.00 0.00 C ATOM 911 O THR A 64 1.255 -2.373 -7.543 1.00 0.00 O ATOM 912 CB THR A 64 3.979 -4.180 -6.924 1.00 0.00 C ATOM 913 OG1 THR A 64 4.741 -5.070 -7.705 1.00 0.00 O ATOM 914 CG2 THR A 64 2.881 -4.949 -6.198 1.00 0.00 C ATOM 0 H THR A 64 5.317 -2.170 -7.455 1.00 0.00 H new ATOM 0 HA THR A 64 3.047 -3.555 -8.738 1.00 0.00 H new ATOM 0 HB THR A 64 4.543 -3.703 -6.122 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.645 -4.711 -7.822 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.331 -5.707 -5.556 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.295 -4.260 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.231 -5.431 -6.928 1.00 0.00 H new ATOM 922 N LEU A 65 2.816 -1.115 -6.552 1.00 0.00 N ATOM 923 CA LEU A 65 1.861 -0.209 -5.939 1.00 0.00 C ATOM 924 C LEU A 65 1.393 0.882 -6.897 1.00 0.00 C ATOM 925 O LEU A 65 0.219 1.233 -6.904 1.00 0.00 O ATOM 926 CB LEU A 65 2.518 0.392 -4.708 1.00 0.00 C ATOM 927 CG LEU A 65 2.446 -0.570 -3.510 1.00 0.00 C ATOM 928 CD1 LEU A 65 3.537 -0.183 -2.521 1.00 0.00 C ATOM 929 CD2 LEU A 65 1.067 -0.505 -2.834 1.00 0.00 C ATOM 0 H LEU A 65 3.791 -0.879 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 65 0.965 -0.766 -5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.560 0.626 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.027 1.331 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 65 2.594 -1.593 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.504 -0.853 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.511 -0.260 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.378 0.842 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.043 -1.195 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.883 0.509 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.296 -0.783 -3.553 1.00 0.00 H new ATOM 940 N VAL A 66 2.259 1.411 -7.756 1.00 0.00 N ATOM 941 CA VAL A 66 1.885 2.469 -8.692 1.00 0.00 C ATOM 942 C VAL A 66 0.873 1.976 -9.738 1.00 0.00 C ATOM 943 O VAL A 66 0.133 2.769 -10.316 1.00 0.00 O ATOM 944 CB VAL A 66 3.182 3.039 -9.284 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.898 2.059 -10.203 1.00 0.00 C ATOM 946 CG2 VAL A 66 2.971 4.386 -9.986 1.00 0.00 C ATOM 0 H VAL A 66 3.235 1.121 -7.824 1.00 0.00 H new ATOM 0 HA VAL A 66 1.356 3.275 -8.183 1.00 0.00 H new ATOM 0 HB VAL A 66 3.832 3.212 -8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.807 2.520 -10.590 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.157 1.159 -9.645 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.244 1.795 -11.034 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.921 4.741 -10.385 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.258 4.264 -10.801 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.584 5.112 -9.271 1.00 0.00 H new ATOM 956 N VAL A 67 0.795 0.662 -9.943 1.00 0.00 N ATOM 957 CA VAL A 67 -0.267 0.021 -10.718 1.00 0.00 C ATOM 958 C VAL A 67 -1.624 0.183 -10.015 1.00 0.00 C ATOM 959 O VAL A 67 -2.643 0.457 -10.651 1.00 0.00 O ATOM 960 CB VAL A 67 0.139 -1.446 -11.004 1.00 0.00 C ATOM 961 CG1 VAL A 67 -0.600 -2.530 -10.216 1.00 0.00 C ATOM 962 CG2 VAL A 67 -0.077 -1.751 -12.477 1.00 0.00 C ATOM 0 H VAL A 67 1.478 0.003 -9.570 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.394 0.507 -11.685 1.00 0.00 H new ATOM 0 HB VAL A 67 1.181 -1.491 -10.687 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.225 -3.511 -10.507 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.435 -2.380 -9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.667 -2.472 -10.430 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.208 -2.783 -12.680 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.128 -1.609 -12.728 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.534 -1.080 -13.081 1.00 0.00 H new ATOM 972 N ILE A 68 -1.625 0.045 -8.690 1.00 0.00 N ATOM 973 CA ILE A 68 -2.802 0.155 -7.832 1.00 0.00 C ATOM 974 C ILE A 68 -3.337 1.596 -7.841 1.00 0.00 C ATOM 975 O ILE A 68 -4.549 1.792 -7.749 1.00 0.00 O ATOM 976 CB ILE A 68 -2.519 -0.385 -6.410 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.921 -1.813 -6.377 1.00 0.00 C ATOM 978 CG2 ILE A 68 -3.788 -0.388 -5.554 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.831 -2.964 -6.827 1.00 0.00 C ATOM 0 H ILE A 68 -0.773 -0.154 -8.165 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.593 -0.478 -8.234 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.773 0.300 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.030 -1.821 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.594 -2.019 -5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.556 -0.773 -4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.172 0.629 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.541 -1.022 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.288 -3.907 -6.755 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.712 -3.003 -6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.140 -2.801 -7.860 1.00 0.00 H new ATOM 990 N LEU A 69 -2.472 2.594 -8.073 1.00 0.00 N ATOM 991 CA LEU A 69 -2.865 3.984 -8.333 1.00 0.00 C ATOM 992 C LEU A 69 -3.930 4.031 -9.442 1.00 0.00 C ATOM 993 O LEU A 69 -4.872 4.825 -9.359 1.00 0.00 O ATOM 994 CB LEU A 69 -1.614 4.805 -8.719 1.00 0.00 C ATOM 995 CG LEU A 69 -1.584 6.321 -8.429 1.00 0.00 C ATOM 996 CD1 LEU A 69 -2.691 7.133 -9.101 1.00 0.00 C ATOM 997 CD2 LEU A 69 -1.598 6.612 -6.932 1.00 0.00 C ATOM 0 H LEU A 69 -1.462 2.454 -8.085 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.301 4.420 -7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.760 4.358 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.454 4.673 -9.789 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.643 6.646 -8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.583 8.185 -8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.618 7.022 -10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.663 6.772 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.576 7.690 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.503 6.197 -6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.724 6.157 -6.465 1.00 0.00 H new ATOM 1008 N LYS A 70 -3.828 3.158 -10.460 1.00 0.00 N ATOM 1009 CA LYS A 70 -4.916 2.956 -11.406 1.00 0.00 C ATOM 1010 C LYS A 70 -5.952 1.997 -10.847 1.00 0.00 C ATOM 1011 O LYS A 70 -7.081 2.446 -10.749 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.436 2.654 -12.831 1.00 0.00 C ATOM 1013 CG LYS A 70 -5.647 2.682 -13.787 1.00 0.00 C ATOM 1014 CD LYS A 70 -5.310 2.989 -15.256 1.00 0.00 C ATOM 1015 CE LYS A 70 -4.963 1.759 -16.102 1.00 0.00 C ATOM 1016 NZ LYS A 70 -6.158 1.022 -16.572 1.00 0.00 N ATOM 0 H LYS A 70 -3.002 2.587 -10.640 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.437 3.906 -11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.694 3.390 -13.142 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.952 1.678 -12.866 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.150 1.716 -13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.356 3.429 -13.429 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.159 3.499 -15.711 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.469 3.682 -15.285 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.374 2.073 -16.964 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.336 1.087 -15.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.905 0.030 -16.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.900 1.063 -15.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.510 1.455 -17.450 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.646 0.742 -10.488 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.661 -0.265 -10.083 1.00 0.00 C ATOM 1028 C ASP A 71 -7.737 0.331 -9.166 1.00 0.00 C ATOM 1029 O ASP A 71 -8.929 0.181 -9.429 1.00 0.00 O ATOM 1030 CB ASP A 71 -6.068 -1.511 -9.388 1.00 0.00 C ATOM 1031 CG ASP A 71 -6.355 -2.825 -10.114 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -7.413 -3.431 -9.844 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -5.468 -3.291 -10.870 1.00 0.00 O ATOM 0 H ASP A 71 -4.690 0.388 -10.467 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.106 -0.581 -11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.989 -1.385 -9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.466 -1.573 -8.375 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.319 1.053 -8.121 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.175 1.702 -7.156 1.00 0.00 C ATOM 1039 C ALA A 72 -9.066 2.685 -7.887 1.00 0.00 C ATOM 1040 O ALA A 72 -10.288 2.560 -7.849 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.299 2.398 -6.098 1.00 0.00 C ATOM 0 H ALA A 72 -6.328 1.200 -7.927 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.810 0.980 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.937 2.891 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.676 1.657 -5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.663 3.139 -6.582 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.451 3.619 -8.611 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.128 4.620 -9.411 1.00 0.00 C ATOM 1049 C LYS A 73 -10.149 3.983 -10.353 1.00 0.00 C ATOM 1050 O LYS A 73 -11.212 4.572 -10.499 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.063 5.471 -10.125 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.604 6.615 -10.987 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.379 6.424 -12.492 1.00 0.00 C ATOM 1054 CE LYS A 73 -9.281 5.330 -13.070 1.00 0.00 C ATOM 1055 NZ LYS A 73 -9.299 5.372 -14.539 1.00 0.00 N ATOM 0 H LYS A 73 -7.435 3.696 -8.653 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.716 5.284 -8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.394 5.890 -9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.463 4.816 -10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.673 6.722 -10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.131 7.546 -10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.571 7.364 -13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.335 6.167 -12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.931 4.353 -12.736 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.295 5.452 -12.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.919 4.619 -14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.656 6.296 -14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.335 5.231 -14.902 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.890 2.809 -10.948 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.846 2.116 -11.813 1.00 0.00 C ATOM 1067 C ILE A 74 -12.137 1.830 -11.029 1.00 0.00 C ATOM 1068 O ILE A 74 -13.221 2.071 -11.552 1.00 0.00 O ATOM 1069 CB ILE A 74 -10.258 0.810 -12.415 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -8.893 0.982 -13.117 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -11.218 0.199 -13.437 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -8.235 -0.324 -13.577 1.00 0.00 C ATOM 0 H ILE A 74 -9.005 2.314 -10.839 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.073 2.769 -12.656 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.114 0.161 -11.551 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.025 1.630 -13.983 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.213 1.495 -12.437 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.783 -0.714 -13.844 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -12.165 -0.035 -12.952 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.390 0.910 -14.245 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.282 -0.102 -14.058 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.064 -0.969 -12.715 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.890 -0.831 -14.286 1.00 0.00 H new ATOM 1083 N ASN A 75 -12.063 1.320 -9.792 1.00 0.00 N ATOM 1084 CA ASN A 75 -13.273 1.050 -9.000 1.00 0.00 C ATOM 1085 C ASN A 75 -13.718 2.283 -8.210 1.00 0.00 C ATOM 1086 O ASN A 75 -14.492 2.175 -7.252 1.00 0.00 O ATOM 1087 CB ASN A 75 -13.095 -0.158 -8.064 1.00 0.00 C ATOM 1088 CG ASN A 75 -14.459 -0.751 -7.675 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -15.485 -0.474 -8.287 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -14.549 -1.544 -6.625 1.00 0.00 N ATOM 0 H ASN A 75 -11.188 1.088 -9.321 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.060 0.802 -9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.489 -0.919 -8.556 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.557 0.147 -7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.457 -1.911 -6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.711 -1.790 -6.098 1.00 0.00 H new ATOM 1096 N GLY A 76 -13.170 3.449 -8.552 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.440 4.701 -7.889 1.00 0.00 C ATOM 1098 C GLY A 76 -13.017 4.641 -6.429 1.00 0.00 C ATOM 1099 O GLY A 76 -13.821 4.995 -5.563 1.00 0.00 O ATOM 0 H GLY A 76 -12.508 3.539 -9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.908 5.507 -8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.503 4.931 -7.955 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.807 4.128 -6.162 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.220 4.022 -4.833 1.00 0.00 C ATOM 1105 C LYS A 77 -9.963 4.886 -4.760 1.00 0.00 C ATOM 1106 O LYS A 77 -9.253 5.064 -5.756 1.00 0.00 O ATOM 1107 CB LYS A 77 -10.891 2.552 -4.518 1.00 0.00 C ATOM 1108 CG LYS A 77 -12.055 1.574 -4.725 1.00 0.00 C ATOM 1109 CD LYS A 77 -13.143 1.758 -3.673 1.00 0.00 C ATOM 1110 CE LYS A 77 -14.254 0.715 -3.802 1.00 0.00 C ATOM 1111 NZ LYS A 77 -15.323 1.124 -4.733 1.00 0.00 N ATOM 0 H LYS A 77 -11.196 3.766 -6.894 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.934 4.378 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.056 2.239 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.556 2.483 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.481 1.721 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.681 0.551 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.700 1.693 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.571 2.756 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.823 -0.226 -4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.687 0.530 -2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.916 0.301 -4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.909 1.859 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.899 1.500 -5.605 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.680 5.393 -3.570 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.503 6.154 -3.175 1.00 0.00 C ATOM 1123 C GLU A 78 -7.341 5.204 -2.848 1.00 0.00 C ATOM 1124 O GLU A 78 -7.507 3.988 -2.891 1.00 0.00 O ATOM 1125 CB GLU A 78 -8.888 7.027 -1.958 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.772 8.520 -2.247 1.00 0.00 C ATOM 1127 CD GLU A 78 -9.854 9.038 -3.211 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -9.939 8.588 -4.385 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -10.688 9.856 -2.773 1.00 0.00 O ATOM 0 H GLU A 78 -10.323 5.272 -2.788 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.167 6.797 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.911 6.797 -1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.245 6.773 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.837 9.071 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.789 8.726 -2.670 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.160 5.731 -2.509 1.00 0.00 N ATOM 1135 CA PHE A 79 -5.005 4.953 -2.081 1.00 0.00 C ATOM 1136 C PHE A 79 -4.023 5.875 -1.330 1.00 0.00 C ATOM 1137 O PHE A 79 -3.595 6.895 -1.870 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.409 4.276 -3.327 1.00 0.00 C ATOM 1139 CG PHE A 79 -2.948 3.922 -3.222 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.517 2.906 -2.354 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -2.011 4.692 -3.926 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -1.142 2.734 -2.125 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.638 4.496 -3.728 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.210 3.565 -2.773 1.00 0.00 C ATOM 0 H PHE A 79 -5.982 6.735 -2.527 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.269 4.164 -1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.974 3.367 -3.533 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.547 4.938 -4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.236 2.263 -1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.350 5.441 -4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.800 1.963 -1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.082 5.057 -4.305 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.840 3.485 -2.533 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.690 5.545 -0.077 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.815 6.284 0.847 1.00 0.00 C ATOM 1155 C ILE A 80 -1.933 5.254 1.556 1.00 0.00 C ATOM 1156 O ILE A 80 -2.372 4.112 1.717 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.651 7.093 1.875 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.697 8.018 1.217 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.740 7.934 2.799 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.837 8.397 2.170 1.00 0.00 C ATOM 0 H ILE A 80 -4.050 4.692 0.351 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.204 7.002 0.301 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.189 6.349 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.204 8.925 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.112 7.523 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.354 8.489 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.065 7.274 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.158 8.633 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.542 9.048 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.351 7.494 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.429 8.919 3.036 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.740 5.620 2.032 1.00 0.00 N ATOM 1172 CA LEU A 81 0.103 4.753 2.826 1.00 0.00 C ATOM 1173 C LEU A 81 0.162 5.333 4.222 1.00 0.00 C ATOM 1174 O LEU A 81 0.095 6.548 4.393 1.00 0.00 O ATOM 1175 CB LEU A 81 1.532 4.733 2.272 1.00 0.00 C ATOM 1176 CG LEU A 81 1.703 4.383 0.793 1.00 0.00 C ATOM 1177 CD1 LEU A 81 3.199 4.329 0.496 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.055 3.041 0.461 1.00 0.00 C ATOM 0 H LEU A 81 -0.336 6.542 1.869 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.302 3.741 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.973 5.715 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.111 4.019 2.857 1.00 0.00 H new ATOM 0 HG LEU A 81 1.213 5.140 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.353 4.081 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.647 5.299 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.667 3.568 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.194 2.822 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.518 2.256 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.011 3.086 0.685 1.00 0.00 H new ATOM 1189 N SER A 82 0.468 4.508 5.206 1.00 0.00 N ATOM 1190 CA SER A 82 0.611 4.819 6.596 1.00 0.00 C ATOM 1191 C SER A 82 1.764 4.026 7.190 1.00 0.00 C ATOM 1192 O SER A 82 2.026 2.918 6.738 1.00 0.00 O ATOM 1193 CB SER A 82 -0.702 4.408 7.215 1.00 0.00 C ATOM 1194 OG SER A 82 -1.223 3.163 6.820 1.00 0.00 O ATOM 0 H SER A 82 0.635 3.518 5.025 1.00 0.00 H new ATOM 0 HA SER A 82 0.831 5.872 6.773 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.579 4.398 8.298 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.442 5.175 6.985 1.00 0.00 H new ATOM 0 HG SER A 82 -1.582 3.232 5.911 1.00 0.00 H new ATOM 1199 N SER A 83 2.439 4.562 8.194 1.00 0.00 N ATOM 1200 CA SER A 83 3.432 3.868 8.997 1.00 0.00 C ATOM 1201 C SER A 83 4.712 3.459 8.291 1.00 0.00 C ATOM 1202 O SER A 83 5.105 2.289 8.189 1.00 0.00 O ATOM 1203 CB SER A 83 2.753 2.755 9.807 1.00 0.00 C ATOM 1204 OG SER A 83 1.605 3.284 10.461 1.00 0.00 O ATOM 0 H SER A 83 2.305 5.531 8.483 1.00 0.00 H new ATOM 0 HA SER A 83 3.834 4.604 9.694 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.466 1.934 9.150 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.448 2.347 10.541 1.00 0.00 H new ATOM 0 HG SER A 83 1.693 4.257 10.540 1.00 0.00 H new ATOM 1209 N LEU A 84 5.380 4.498 7.804 1.00 0.00 N ATOM 1210 CA LEU A 84 6.622 4.406 7.065 1.00 0.00 C ATOM 1211 C LEU A 84 7.775 4.796 7.965 1.00 0.00 C ATOM 1212 O LEU A 84 7.615 5.168 9.125 1.00 0.00 O ATOM 1213 CB LEU A 84 6.521 5.241 5.787 1.00 0.00 C ATOM 1214 CG LEU A 84 5.541 4.622 4.774 1.00 0.00 C ATOM 1215 CD1 LEU A 84 6.176 3.537 3.891 1.00 0.00 C ATOM 1216 CD2 LEU A 84 4.244 4.010 5.223 1.00 0.00 C ATOM 0 H LEU A 84 5.056 5.458 7.920 1.00 0.00 H new ATOM 0 HA LEU A 84 6.813 3.381 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.195 6.250 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.507 5.328 5.331 1.00 0.00 H new ATOM 0 HG LEU A 84 5.295 5.558 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.428 3.145 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.002 3.966 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.549 2.728 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.701 3.632 4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.448 3.189 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.641 4.765 5.728 1.00 0.00 H new ATOM 1227 N LYS A 85 8.959 4.544 7.436 1.00 0.00 N ATOM 1228 CA LYS A 85 10.210 4.401 8.153 1.00 0.00 C ATOM 1229 C LYS A 85 11.234 5.052 7.280 1.00 0.00 C ATOM 1230 O LYS A 85 11.053 5.041 6.060 1.00 0.00 O ATOM 1231 CB LYS A 85 10.516 2.917 8.316 1.00 0.00 C ATOM 1232 CG LYS A 85 9.467 2.150 9.146 1.00 0.00 C ATOM 1233 CD LYS A 85 9.545 0.695 8.714 1.00 0.00 C ATOM 1234 CE LYS A 85 8.787 0.547 7.386 1.00 0.00 C ATOM 1235 NZ LYS A 85 7.339 0.709 7.567 1.00 0.00 N ATOM 0 H LYS A 85 9.078 4.427 6.430 1.00 0.00 H new ATOM 0 HA LYS A 85 10.187 4.850 9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.588 2.460 7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.491 2.807 8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.670 2.248 10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.468 2.552 8.974 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.584 0.389 8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.108 0.049 9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.150 1.289 6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.993 -0.434 6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.946 1.241 6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.888 -0.227 7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.155 1.228 8.450 1.00 0.00 H new ATOM 1245 N GLU A 86 12.314 5.540 7.862 1.00 0.00 N ATOM 1246 CA GLU A 86 13.262 6.372 7.122 1.00 0.00 C ATOM 1247 C GLU A 86 13.849 5.579 5.952 1.00 0.00 C ATOM 1248 O GLU A 86 14.164 6.125 4.895 1.00 0.00 O ATOM 1249 CB GLU A 86 14.353 6.934 8.038 1.00 0.00 C ATOM 1250 CG GLU A 86 14.990 8.158 7.372 1.00 0.00 C ATOM 1251 CD GLU A 86 16.186 8.676 8.157 1.00 0.00 C ATOM 1252 OE1 GLU A 86 17.278 8.087 7.995 1.00 0.00 O ATOM 1253 OE2 GLU A 86 16.050 9.692 8.869 1.00 0.00 O ATOM 0 H GLU A 86 12.561 5.380 8.839 1.00 0.00 H new ATOM 0 HA GLU A 86 12.728 7.231 6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.928 7.210 9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.111 6.174 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.305 7.898 6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.246 8.949 7.281 1.00 0.00 H new ATOM 1258 N SER A 87 13.918 4.259 6.120 1.00 0.00 N ATOM 1259 CA SER A 87 14.489 3.340 5.148 1.00 0.00 C ATOM 1260 C SER A 87 13.513 2.968 4.024 1.00 0.00 C ATOM 1261 O SER A 87 13.889 2.197 3.145 1.00 0.00 O ATOM 1262 CB SER A 87 15.058 2.124 5.884 1.00 0.00 C ATOM 1263 OG SER A 87 16.233 2.532 6.563 1.00 0.00 O ATOM 0 H SER A 87 13.569 3.792 6.957 1.00 0.00 H new ATOM 0 HA SER A 87 15.306 3.843 4.630 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.327 1.730 6.590 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.284 1.324 5.179 1.00 0.00 H new ATOM 0 HG SER A 87 16.615 1.768 7.044 1.00 0.00 H new ATOM 1268 N ILE A 88 12.285 3.500 4.018 1.00 0.00 N ATOM 1269 CA ILE A 88 11.295 3.318 2.959 1.00 0.00 C ATOM 1270 C ILE A 88 10.796 4.683 2.470 1.00 0.00 C ATOM 1271 O ILE A 88 10.616 4.893 1.270 1.00 0.00 O ATOM 1272 CB ILE A 88 10.113 2.468 3.446 1.00 0.00 C ATOM 1273 CG1 ILE A 88 10.491 1.073 4.007 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.112 2.338 2.281 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.052 0.099 2.981 1.00 0.00 C ATOM 0 H ILE A 88 11.945 4.089 4.778 1.00 0.00 H new ATOM 0 HA ILE A 88 11.772 2.791 2.133 1.00 0.00 H new ATOM 0 HB ILE A 88 9.675 2.985 4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.226 1.204 4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 88 9.606 0.629 4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.260 1.737 2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.768 3.329 1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.600 1.856 1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.286 -0.848 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 88 10.313 -0.069 2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.959 0.515 2.542 1.00 0.00 H new ATOM 1286 N SER A 89 10.579 5.627 3.382 1.00 0.00 N ATOM 1287 CA SER A 89 10.109 6.968 3.063 1.00 0.00 C ATOM 1288 C SER A 89 11.091 7.606 2.063 1.00 0.00 C ATOM 1289 O SER A 89 10.682 8.108 1.010 1.00 0.00 O ATOM 1290 CB SER A 89 9.973 7.807 4.334 1.00 0.00 C ATOM 1291 OG SER A 89 11.188 7.785 5.038 1.00 0.00 O ATOM 0 H SER A 89 10.728 5.477 4.380 1.00 0.00 H new ATOM 0 HA SER A 89 9.120 6.920 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.706 8.833 4.079 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.171 7.414 4.959 1.00 0.00 H new ATOM 0 HG SER A 89 11.337 6.889 5.405 1.00 0.00 H new ATOM 1296 N ARG A 90 12.399 7.482 2.351 1.00 0.00 N ATOM 1297 CA ARG A 90 13.482 7.833 1.441 1.00 0.00 C ATOM 1298 C ARG A 90 13.340 7.077 0.143 1.00 0.00 C ATOM 1299 O ARG A 90 13.473 7.704 -0.881 1.00 0.00 O ATOM 1300 CB ARG A 90 14.870 7.607 2.049 1.00 0.00 C ATOM 1301 CG ARG A 90 15.342 6.143 2.012 1.00 0.00 C ATOM 1302 CD ARG A 90 16.604 5.965 2.828 1.00 0.00 C ATOM 1303 NE ARG A 90 17.823 6.405 2.112 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.581 7.473 2.389 1.00 0.00 C ATOM 1305 NH1 ARG A 90 18.306 8.209 3.455 1.00 0.00 N ATOM 1306 NH2 ARG A 90 19.604 7.810 1.605 1.00 0.00 N ATOM 0 H ARG A 90 12.731 7.125 3.247 1.00 0.00 H new ATOM 0 HA ARG A 90 13.399 8.902 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.593 8.224 1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.861 7.949 3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.558 5.493 2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.525 5.841 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.512 6.528 3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.709 4.915 3.101 1.00 0.00 H new ATOM 0 HE ARG A 90 18.117 5.832 1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.522 7.960 4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.879 9.024 3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.820 7.251 0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.172 8.627 1.830 1.00 0.00 H new ATOM 1317 N ILE A 91 13.103 5.767 0.138 1.00 0.00 N ATOM 1318 CA ILE A 91 13.160 4.936 -1.054 1.00 0.00 C ATOM 1319 C ILE A 91 12.160 5.512 -2.054 1.00 0.00 C ATOM 1320 O ILE A 91 12.500 5.786 -3.208 1.00 0.00 O ATOM 1321 CB ILE A 91 12.863 3.477 -0.613 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.174 2.714 -0.363 1.00 0.00 C ATOM 1323 CG2 ILE A 91 11.923 2.715 -1.561 1.00 0.00 C ATOM 1324 CD1 ILE A 91 13.952 1.278 0.134 1.00 0.00 C ATOM 0 H ILE A 91 12.861 5.247 0.981 1.00 0.00 H new ATOM 0 HA ILE A 91 14.132 4.926 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 91 12.313 3.544 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.753 2.687 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.769 3.258 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.766 1.705 -1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.966 3.234 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.370 2.665 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 91 14.916 0.794 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.399 1.299 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.383 0.720 -0.609 1.00 0.00 H new ATOM 1335 N LEU A 92 10.937 5.774 -1.591 1.00 0.00 N ATOM 1336 CA LEU A 92 9.906 6.350 -2.430 1.00 0.00 C ATOM 1337 C LEU A 92 10.329 7.756 -2.850 1.00 0.00 C ATOM 1338 O LEU A 92 10.190 8.114 -4.011 1.00 0.00 O ATOM 1339 CB LEU A 92 8.559 6.354 -1.694 1.00 0.00 C ATOM 1340 CG LEU A 92 8.090 4.934 -1.312 1.00 0.00 C ATOM 1341 CD1 LEU A 92 6.984 5.005 -0.260 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.596 4.159 -2.538 1.00 0.00 C ATOM 0 H LEU A 92 10.643 5.592 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 92 9.779 5.747 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.643 6.960 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.805 6.825 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 92 8.947 4.402 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.663 3.996 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.361 5.506 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.137 5.563 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.273 3.163 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.758 4.689 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.405 4.072 -3.264 1.00 0.00 H new ATOM 1353 N LYS A 93 10.868 8.577 -1.956 1.00 0.00 N ATOM 1354 CA LYS A 93 11.309 9.926 -2.269 1.00 0.00 C ATOM 1355 C LYS A 93 12.411 9.931 -3.340 1.00 0.00 C ATOM 1356 O LYS A 93 12.218 10.510 -4.407 1.00 0.00 O ATOM 1357 CB LYS A 93 11.662 10.569 -0.925 1.00 0.00 C ATOM 1358 CG LYS A 93 12.368 11.894 -1.116 1.00 0.00 C ATOM 1359 CD LYS A 93 12.031 12.919 -0.025 1.00 0.00 C ATOM 1360 CE LYS A 93 12.679 12.498 1.297 1.00 0.00 C ATOM 1361 NZ LYS A 93 12.627 13.560 2.322 1.00 0.00 N ATOM 0 H LYS A 93 11.012 8.318 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 93 10.537 10.531 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.753 10.720 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.299 9.894 -0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.445 11.726 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.098 12.306 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.388 13.907 -0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.950 12.993 0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.176 11.608 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.718 12.224 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.079 13.222 3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.130 14.402 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.635 13.805 2.518 1.00 0.00 H new ATOM 1371 N LEU A 94 13.509 9.229 -3.083 1.00 0.00 N ATOM 1372 CA LEU A 94 14.652 8.926 -3.937 1.00 0.00 C ATOM 1373 C LEU A 94 14.214 8.493 -5.330 1.00 0.00 C ATOM 1374 O LEU A 94 14.849 8.875 -6.311 1.00 0.00 O ATOM 1375 CB LEU A 94 15.465 7.789 -3.277 1.00 0.00 C ATOM 1376 CG LEU A 94 16.259 8.185 -2.014 1.00 0.00 C ATOM 1377 CD1 LEU A 94 16.786 6.924 -1.331 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.429 9.112 -2.299 1.00 0.00 C ATOM 0 H LEU A 94 13.633 8.809 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 94 15.257 9.826 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.781 6.981 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.163 7.391 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 94 15.567 8.729 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 94 17.347 7.201 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 94 15.949 6.286 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.439 6.384 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 94 17.941 9.349 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.124 8.622 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.062 10.032 -2.755 1.00 0.00 H new ATOM 1389 N THR A 95 13.132 7.719 -5.442 1.00 0.00 N ATOM 1390 CA THR A 95 12.665 7.180 -6.719 1.00 0.00 C ATOM 1391 C THR A 95 11.541 8.019 -7.337 1.00 0.00 C ATOM 1392 O THR A 95 10.985 7.662 -8.373 1.00 0.00 O ATOM 1393 CB THR A 95 12.353 5.675 -6.560 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.255 5.042 -5.667 1.00 0.00 O ATOM 1395 CG2 THR A 95 12.494 4.919 -7.881 1.00 0.00 C ATOM 0 H THR A 95 12.554 7.448 -4.646 1.00 0.00 H new ATOM 0 HA THR A 95 13.461 7.255 -7.459 1.00 0.00 H new ATOM 0 HB THR A 95 11.329 5.639 -6.188 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.902 5.094 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.266 3.865 -7.723 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.802 5.334 -8.614 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.515 5.018 -8.250 1.00 0.00 H new ATOM 1403 N HIS A 96 11.257 9.183 -6.754 1.00 0.00 N ATOM 1404 CA HIS A 96 10.180 10.104 -7.082 1.00 0.00 C ATOM 1405 C HIS A 96 8.786 9.478 -6.953 1.00 0.00 C ATOM 1406 O HIS A 96 7.864 9.933 -7.612 1.00 0.00 O ATOM 1407 CB HIS A 96 10.312 10.750 -8.479 1.00 0.00 C ATOM 1408 CG HIS A 96 11.714 11.001 -8.973 1.00 0.00 C ATOM 1409 ND1 HIS A 96 12.710 11.710 -8.324 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.223 10.530 -10.152 1.00 0.00 C ATOM 1411 CE1 HIS A 96 13.810 11.658 -9.100 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.529 10.965 -10.222 1.00 0.00 N ATOM 0 H HIS A 96 11.822 9.530 -5.979 1.00 0.00 H new ATOM 0 HA HIS A 96 10.285 10.889 -6.333 1.00 0.00 H new ATOM 0 HB2 HIS A 96 9.805 10.109 -9.201 1.00 0.00 H new ATOM 0 HB3 HIS A 96 9.779 11.701 -8.467 1.00 0.00 H new ATOM 0 HD2 HIS A 96 11.702 9.933 -10.886 1.00 0.00 H new ATOM 0 HE1 HIS A 96 14.766 12.101 -8.861 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.174 10.792 -10.993 1.00 0.00 H new ATOM 1420 N LEU A 97 8.610 8.440 -6.149 1.00 0.00 N ATOM 1421 CA LEU A 97 7.356 7.753 -5.885 1.00 0.00 C ATOM 1422 C LEU A 97 6.539 8.492 -4.828 1.00 0.00 C ATOM 1423 O LEU A 97 5.322 8.549 -4.920 1.00 0.00 O ATOM 1424 CB LEU A 97 7.701 6.342 -5.384 1.00 0.00 C ATOM 1425 CG LEU A 97 7.601 5.217 -6.417 1.00 0.00 C ATOM 1426 CD1 LEU A 97 6.143 4.836 -6.602 1.00 0.00 C ATOM 1427 CD2 LEU A 97 8.239 5.495 -7.774 1.00 0.00 C ATOM 0 H LEU A 97 9.388 8.030 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 97 6.756 7.711 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.717 6.357 -4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.040 6.103 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 97 8.188 4.397 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.067 4.035 -7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.732 4.496 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.582 5.703 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.106 4.629 -8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.764 6.365 -8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.303 5.690 -7.643 1.00 0.00 H new ATOM 1438 N ASP A 98 7.186 9.071 -3.817 1.00 0.00 N ATOM 1439 CA ASP A 98 6.508 9.726 -2.689 1.00 0.00 C ATOM 1440 C ASP A 98 5.702 10.936 -3.182 1.00 0.00 C ATOM 1441 O ASP A 98 4.571 11.160 -2.749 1.00 0.00 O ATOM 1442 CB ASP A 98 7.583 10.062 -1.642 1.00 0.00 C ATOM 1443 CG ASP A 98 7.245 11.151 -0.628 1.00 0.00 C ATOM 1444 OD1 ASP A 98 6.120 11.189 -0.102 1.00 0.00 O ATOM 1445 OD2 ASP A 98 8.166 11.941 -0.314 1.00 0.00 O ATOM 0 H ASP A 98 8.204 9.101 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 98 5.772 9.076 -2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.819 9.150 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.489 10.360 -2.170 1.00 0.00 H new ATOM 1449 N LYS A 99 6.222 11.641 -4.194 1.00 0.00 N ATOM 1450 CA LYS A 99 5.556 12.761 -4.858 1.00 0.00 C ATOM 1451 C LYS A 99 4.335 12.382 -5.720 1.00 0.00 C ATOM 1452 O LYS A 99 3.680 13.271 -6.266 1.00 0.00 O ATOM 1453 CB LYS A 99 6.576 13.548 -5.697 1.00 0.00 C ATOM 1454 CG LYS A 99 7.226 12.693 -6.784 1.00 0.00 C ATOM 1455 CD LYS A 99 7.391 13.430 -8.115 1.00 0.00 C ATOM 1456 CE LYS A 99 8.451 14.534 -8.027 1.00 0.00 C ATOM 1457 NZ LYS A 99 8.335 15.469 -9.160 1.00 0.00 N ATOM 0 H LYS A 99 7.144 11.440 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 99 5.152 13.378 -4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.080 14.401 -6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.350 13.946 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.204 12.359 -6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.622 11.800 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.671 12.719 -8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.436 13.865 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.338 15.078 -7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.446 14.088 -8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.063 16.207 -9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.466 14.951 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.393 15.910 -9.151 1.00 0.00 H new ATOM 1467 N ILE A 100 4.062 11.092 -5.912 1.00 0.00 N ATOM 1468 CA ILE A 100 3.004 10.567 -6.769 1.00 0.00 C ATOM 1469 C ILE A 100 2.119 9.573 -6.005 1.00 0.00 C ATOM 1470 O ILE A 100 1.232 8.947 -6.584 1.00 0.00 O ATOM 1471 CB ILE A 100 3.607 9.982 -8.068 1.00 0.00 C ATOM 1472 CG1 ILE A 100 4.765 9.003 -7.859 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.069 11.103 -9.019 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.354 8.423 -9.154 1.00 0.00 C ATOM 0 H ILE A 100 4.596 10.354 -5.454 1.00 0.00 H new ATOM 0 HA ILE A 100 2.346 11.382 -7.069 1.00 0.00 H new ATOM 0 HB ILE A 100 2.790 9.411 -8.508 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.558 9.511 -7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.420 8.181 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.489 10.663 -9.924 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.218 11.731 -9.282 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.828 11.709 -8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.168 7.741 -8.910 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.578 7.883 -9.697 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.734 9.234 -9.776 1.00 0.00 H new ATOM 1485 N PHE A 101 2.330 9.437 -4.697 1.00 0.00 N ATOM 1486 CA PHE A 101 1.620 8.587 -3.743 1.00 0.00 C ATOM 1487 C PHE A 101 1.110 9.504 -2.627 1.00 0.00 C ATOM 1488 O PHE A 101 1.220 10.734 -2.740 1.00 0.00 O ATOM 1489 CB PHE A 101 2.621 7.540 -3.221 1.00 0.00 C ATOM 1490 CG PHE A 101 2.767 6.264 -4.028 1.00 0.00 C ATOM 1491 CD1 PHE A 101 2.904 6.278 -5.424 1.00 0.00 C ATOM 1492 CD2 PHE A 101 2.835 5.029 -3.365 1.00 0.00 C ATOM 1493 CE1 PHE A 101 3.082 5.108 -6.150 1.00 0.00 C ATOM 1494 CE2 PHE A 101 3.058 3.844 -4.079 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.178 3.898 -5.473 1.00 0.00 C ATOM 0 H PHE A 101 3.070 9.967 -4.236 1.00 0.00 H new ATOM 0 HA PHE A 101 0.773 8.059 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.601 8.012 -3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.328 7.268 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.870 7.222 -5.947 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.714 4.991 -2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.145 5.138 -7.228 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.136 2.900 -3.560 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.347 2.988 -6.029 1.00 0.00 H new ATOM 1504 N LYS A 102 0.570 8.949 -1.543 1.00 0.00 N ATOM 1505 CA LYS A 102 0.299 9.704 -0.326 1.00 0.00 C ATOM 1506 C LYS A 102 0.832 8.948 0.856 1.00 0.00 C ATOM 1507 O LYS A 102 0.699 7.730 0.902 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.201 9.990 -0.178 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.434 11.058 0.907 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.556 12.064 0.621 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.841 11.693 1.360 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.543 12.899 1.836 1.00 0.00 N ATOM 0 H LYS A 102 0.309 7.965 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 102 0.803 10.669 -0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.609 10.332 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.729 9.073 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.656 10.552 1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.505 11.610 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.237 13.062 0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.749 12.101 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.494 11.125 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.605 11.047 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.412 12.621 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.925 13.427 2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.787 13.502 1.024 1.00 0.00 H new ATOM 1522 N ILE A 103 1.430 9.672 1.794 1.00 0.00 N ATOM 1523 CA ILE A 103 2.142 9.090 2.903 1.00 0.00 C ATOM 1524 C ILE A 103 1.730 9.827 4.173 1.00 0.00 C ATOM 1525 O ILE A 103 1.829 11.054 4.254 1.00 0.00 O ATOM 1526 CB ILE A 103 3.657 9.124 2.599 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.056 7.962 1.656 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.534 9.058 3.854 1.00 0.00 C ATOM 1529 CD1 ILE A 103 5.244 8.293 0.754 1.00 0.00 C ATOM 0 H ILE A 103 1.429 10.692 1.797 1.00 0.00 H new ATOM 0 HA ILE A 103 1.893 8.040 3.057 1.00 0.00 H new ATOM 0 HB ILE A 103 3.834 10.086 2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.298 7.084 2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.200 7.698 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.585 9.086 3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.312 9.909 4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.330 8.132 4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.470 7.435 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.998 9.152 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 103 6.113 8.528 1.369 1.00 0.00 H new ATOM 1540 N THR A 104 1.314 9.046 5.159 1.00 0.00 N ATOM 1541 CA THR A 104 1.064 9.424 6.530 1.00 0.00 C ATOM 1542 C THR A 104 1.980 8.684 7.489 1.00 0.00 C ATOM 1543 O THR A 104 2.904 7.951 7.115 1.00 0.00 O ATOM 1544 CB THR A 104 -0.423 9.230 6.876 1.00 0.00 C ATOM 1545 OG1 THR A 104 -0.798 7.869 6.957 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.344 9.920 5.870 1.00 0.00 C ATOM 0 H THR A 104 1.130 8.055 5.002 1.00 0.00 H new ATOM 0 HA THR A 104 1.294 10.483 6.643 1.00 0.00 H new ATOM 0 HB THR A 104 -0.540 9.688 7.858 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.323 7.722 7.771 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.383 9.755 6.155 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.136 10.990 5.860 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.171 9.507 4.876 1.00 0.00 H new ATOM 1554 N ASP A 105 1.715 8.905 8.762 1.00 0.00 N ATOM 1555 CA ASP A 105 2.429 8.383 9.893 1.00 0.00 C ATOM 1556 C ASP A 105 1.542 7.313 10.490 1.00 0.00 C ATOM 1557 O ASP A 105 1.887 6.132 10.514 1.00 0.00 O ATOM 1558 CB ASP A 105 2.678 9.500 10.917 1.00 0.00 C ATOM 1559 CG ASP A 105 3.877 10.353 10.539 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.933 9.754 10.219 1.00 0.00 O ATOM 1561 OD2 ASP A 105 3.765 11.597 10.508 1.00 0.00 O ATOM 0 H ASP A 105 0.936 9.499 9.045 1.00 0.00 H new ATOM 0 HA ASP A 105 3.399 7.979 9.605 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.792 10.130 10.990 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.840 9.061 11.902 1.00 0.00 H new ATOM 1565 N THR A 106 0.342 7.724 10.891 1.00 0.00 N ATOM 1566 CA THR A 106 -0.674 6.852 11.427 1.00 0.00 C ATOM 1567 C THR A 106 -1.699 6.601 10.325 1.00 0.00 C ATOM 1568 O THR A 106 -1.908 7.421 9.421 1.00 0.00 O ATOM 1569 CB THR A 106 -1.215 7.475 12.727 1.00 0.00 C ATOM 1570 OG1 THR A 106 -1.527 8.848 12.551 1.00 0.00 O ATOM 1571 CG2 THR A 106 -0.175 7.299 13.842 1.00 0.00 C ATOM 0 H THR A 106 0.051 8.701 10.847 1.00 0.00 H new ATOM 0 HA THR A 106 -0.303 5.869 11.717 1.00 0.00 H new ATOM 0 HB THR A 106 -2.137 6.964 13.003 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.870 9.216 13.392 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.553 7.739 14.765 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.016 6.237 13.997 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.752 7.796 13.557 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.336 5.439 10.393 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.490 5.077 9.589 1.00 0.00 C ATOM 1581 C VAL A 107 -4.610 6.091 9.860 1.00 0.00 C ATOM 1582 O VAL A 107 -5.368 6.434 8.954 1.00 0.00 O ATOM 1583 CB VAL A 107 -3.878 3.644 9.996 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -5.312 3.273 9.642 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -2.925 2.566 9.465 1.00 0.00 C ATOM 0 H VAL A 107 -2.051 4.698 11.033 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.289 5.100 8.518 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.790 3.664 11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.512 2.250 9.959 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.999 3.951 10.149 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.453 3.353 8.564 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.266 1.585 9.794 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.910 2.598 8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.921 2.748 9.847 1.00 0.00 H new ATOM 1595 N GLU A 108 -4.720 6.584 11.096 1.00 0.00 N ATOM 1596 CA GLU A 108 -5.709 7.593 11.474 1.00 0.00 C ATOM 1597 C GLU A 108 -5.597 8.851 10.608 1.00 0.00 C ATOM 1598 O GLU A 108 -6.616 9.407 10.202 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.572 7.943 12.960 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.445 7.025 13.820 1.00 0.00 C ATOM 1601 CD GLU A 108 -7.902 7.480 14.020 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -8.447 8.262 13.210 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -8.542 6.965 14.970 1.00 0.00 O ATOM 0 H GLU A 108 -4.120 6.291 11.867 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.698 7.168 11.302 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.530 7.851 13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.860 8.982 13.121 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.453 6.034 13.367 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.978 6.924 14.800 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.376 9.282 10.270 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.136 10.510 9.523 1.00 0.00 C ATOM 1610 C GLU A 109 -4.452 10.358 8.023 1.00 0.00 C ATOM 1611 O GLU A 109 -4.240 11.299 7.254 1.00 0.00 O ATOM 1612 CB GLU A 109 -2.669 10.921 9.731 1.00 0.00 C ATOM 1613 CG GLU A 109 -2.439 12.436 9.665 1.00 0.00 C ATOM 1614 CD GLU A 109 -2.853 13.142 10.951 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -2.405 12.742 12.049 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -3.649 14.098 10.882 1.00 0.00 O ATOM 0 H GLU A 109 -3.522 8.779 10.512 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.807 11.284 9.897 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.331 10.553 10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.054 10.435 8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.385 12.633 9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.002 12.850 8.829 1.00 0.00 H new ATOM 1621 N ALA A 110 -4.884 9.172 7.578 1.00 0.00 N ATOM 1622 CA ALA A 110 -5.202 8.861 6.193 1.00 0.00 C ATOM 1623 C ALA A 110 -6.687 9.092 5.946 1.00 0.00 C ATOM 1624 O ALA A 110 -7.049 10.220 5.564 1.00 0.00 O ATOM 1625 CB ALA A 110 -4.750 7.444 5.871 1.00 0.00 C ATOM 0 H ALA A 110 -5.025 8.378 8.202 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.664 9.524 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.989 7.213 4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.674 7.362 6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.263 6.741 6.527 1.00 0.00 H new TER 1631 ALA A 110