USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 960 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 5 GLN : amide:sc= -0.188 K(o=-1.7,f=-2.3) USER MOD Set 1.2: A 81 THR OG1 : rot -150:sc= -1.51! USER MOD Set 2.1: A 45 THR OG1 : rot -150:sc= -1.6 USER MOD Set 2.2: A 48 GLN : amide:sc= -0.0576 K(o=-1.7,f=-2.6) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -8.19! C(o=-8.2!,f=-12!) USER MOD Single : A 15 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.5) USER MOD Single : A 16 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.4!) USER MOD Single : A 21 THR OG1 : rot -14:sc= 1.4 USER MOD Single : A 31 ASN : amide:sc= 0.566 K(o=0.57,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.75 F(o=-2,f=-0.75) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -17.3! C(o=-21!,f=-17!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0525) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-4.2!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -3.12! C(o=-3.1!,f=-3.8!) USER MOD Single : A 105 MET CE :methyl -141:sc= -0.634 (180deg=-2.38!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.666 F(o=-2.2,f=-0.67) USER MOD Single : A 119 ASN : amide:sc= -7.33! C(o=-7.3!,f=-7.9!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 162:sc= 0.631 (180deg=0.307) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -7.545 -17.844 -0.576 1.00 0.00 N ATOM 43 CA LYS A 3 -6.304 -17.113 -0.345 1.00 0.00 C ATOM 44 C LYS A 3 -6.183 -15.936 -1.308 1.00 0.00 C ATOM 45 O LYS A 3 -6.397 -16.083 -2.512 1.00 0.00 O ATOM 46 CB LYS A 3 -5.099 -18.045 -0.492 1.00 0.00 C ATOM 47 CG LYS A 3 -4.985 -18.687 -1.866 1.00 0.00 C ATOM 48 CD LYS A 3 -3.551 -18.674 -2.373 1.00 0.00 C ATOM 49 CE LYS A 3 -3.139 -17.287 -2.842 1.00 0.00 C ATOM 50 NZ LYS A 3 -3.229 -17.152 -4.323 1.00 0.00 N ATOM 0 HA LYS A 3 -6.322 -16.724 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.188 -17.482 -0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.164 -18.830 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.346 -19.715 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.625 -18.156 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.880 -19.005 -1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.448 -19.383 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.777 -16.540 -2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.118 -17.083 -2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.940 -16.193 -4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.601 -17.848 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.209 -17.321 -4.628 1.00 0.00 H new ATOM 64 N LEU A 4 -5.834 -14.769 -0.774 1.00 0.00 N ATOM 65 CA LEU A 4 -5.678 -13.568 -1.585 1.00 0.00 C ATOM 66 C LEU A 4 -4.592 -12.664 -0.999 1.00 0.00 C ATOM 67 O LEU A 4 -4.628 -12.346 0.190 1.00 0.00 O ATOM 68 CB LEU A 4 -7.010 -12.822 -1.654 1.00 0.00 C ATOM 69 CG LEU A 4 -7.529 -12.297 -0.313 1.00 0.00 C ATOM 70 CD1 LEU A 4 -7.144 -10.838 -0.124 1.00 0.00 C ATOM 71 CD2 LEU A 4 -9.039 -12.471 -0.222 1.00 0.00 C ATOM 0 H LEU A 4 -5.654 -14.631 0.220 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.375 -13.855 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.903 -11.981 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.760 -13.488 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.068 -12.877 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.522 -10.483 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.058 -10.743 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.575 -10.241 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.392 -12.093 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.518 -11.917 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.289 -13.528 -0.309 1.00 0.00 H new ATOM 83 N GLN A 5 -3.623 -12.250 -1.818 1.00 0.00 N ATOM 84 CA GLN A 5 -2.544 -11.390 -1.343 1.00 0.00 C ATOM 85 C GLN A 5 -2.756 -9.939 -1.757 1.00 0.00 C ATOM 86 O GLN A 5 -3.460 -9.646 -2.722 1.00 0.00 O ATOM 87 CB GLN A 5 -1.208 -11.870 -1.901 1.00 0.00 C ATOM 88 CG GLN A 5 -0.987 -13.360 -1.733 1.00 0.00 C ATOM 89 CD GLN A 5 0.432 -13.784 -2.055 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.210 -14.119 -1.162 1.00 0.00 O ATOM 91 NE2 GLN A 5 0.778 -13.772 -3.337 1.00 0.00 N ATOM 0 H GLN A 5 -3.565 -12.496 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.541 -11.445 -0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.154 -11.619 -2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.401 -11.332 -1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.222 -13.644 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.678 -13.900 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.101 -13.487 -4.045 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.720 -14.048 -3.614 1.00 0.00 H new ATOM 100 N ILE A 6 -2.131 -9.040 -1.010 1.00 0.00 N ATOM 101 CA ILE A 6 -2.209 -7.612 -1.251 1.00 0.00 C ATOM 102 C ILE A 6 -0.875 -6.978 -0.871 1.00 0.00 C ATOM 103 O ILE A 6 -0.294 -7.341 0.151 1.00 0.00 O ATOM 104 CB ILE A 6 -3.334 -6.967 -0.421 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.672 -7.637 -0.731 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.405 -5.475 -0.689 1.00 0.00 C ATOM 107 CD1 ILE A 6 -4.933 -8.868 0.108 1.00 0.00 C ATOM 0 H ILE A 6 -1.549 -9.288 -0.210 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.428 -7.446 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.113 -7.112 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.476 -6.919 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.697 -7.912 -1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.206 -5.036 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.456 -5.011 -0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.604 -5.304 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.899 -9.295 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.149 -9.603 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.940 -8.594 1.163 1.00 0.00 H new ATOM 119 N ALA A 7 -0.396 -6.007 -1.642 1.00 0.00 N ATOM 120 CA ALA A 7 0.844 -5.327 -1.299 1.00 0.00 C ATOM 121 C ALA A 7 0.583 -3.835 -1.282 1.00 0.00 C ATOM 122 O ALA A 7 0.108 -3.302 -2.268 1.00 0.00 O ATOM 123 CB ALA A 7 1.940 -5.673 -2.293 1.00 0.00 C ATOM 0 H ALA A 7 -0.842 -5.678 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 7 1.183 -5.652 -0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.858 -5.154 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.114 -6.749 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.635 -5.365 -3.293 1.00 0.00 H new ATOM 129 N VAL A 8 0.880 -3.155 -0.188 1.00 0.00 N ATOM 130 CA VAL A 8 0.633 -1.718 -0.126 1.00 0.00 C ATOM 131 C VAL A 8 1.813 -0.981 0.490 1.00 0.00 C ATOM 132 O VAL A 8 2.624 -1.570 1.196 1.00 0.00 O ATOM 133 CB VAL A 8 -0.674 -1.393 0.652 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.298 -2.656 1.232 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.435 -0.367 1.755 1.00 0.00 C ATOM 0 H VAL A 8 1.285 -3.561 0.656 1.00 0.00 H new ATOM 0 HA VAL A 8 0.509 -1.372 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.371 -0.959 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.210 -2.397 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.537 -3.348 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.594 -3.128 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.372 -0.167 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.297 -0.757 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.059 0.557 1.317 1.00 0.00 H new ATOM 145 N GLY A 9 1.911 0.311 0.203 1.00 0.00 N ATOM 146 CA GLY A 9 3.007 1.089 0.734 1.00 0.00 C ATOM 147 C GLY A 9 2.675 2.554 0.934 1.00 0.00 C ATOM 148 O GLY A 9 1.818 3.114 0.252 1.00 0.00 O ATOM 0 H GLY A 9 1.256 0.828 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.315 0.662 1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.859 1.008 0.059 1.00 0.00 H new ATOM 152 N ILE A 10 3.402 3.176 1.852 1.00 0.00 N ATOM 153 CA ILE A 10 3.252 4.594 2.142 1.00 0.00 C ATOM 154 C ILE A 10 4.265 5.358 1.299 1.00 0.00 C ATOM 155 O ILE A 10 5.465 5.159 1.456 1.00 0.00 O ATOM 156 CB ILE A 10 3.467 4.894 3.656 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.356 6.125 3.868 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.067 3.693 4.378 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.500 6.526 5.320 1.00 0.00 C ATOM 0 H ILE A 10 4.113 2.711 2.417 1.00 0.00 H new ATOM 0 HA ILE A 10 2.237 4.908 1.897 1.00 0.00 H new ATOM 0 HB ILE A 10 2.484 5.103 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.345 5.924 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.941 6.963 3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.205 3.934 5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.395 2.840 4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.031 3.445 3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.142 7.404 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.518 6.759 5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.944 5.704 5.882 1.00 0.00 H new ATOM 171 N ILE A 11 3.791 6.213 0.398 1.00 0.00 N ATOM 172 CA ILE A 11 4.695 6.963 -0.466 1.00 0.00 C ATOM 173 C ILE A 11 5.265 8.192 0.244 1.00 0.00 C ATOM 174 O ILE A 11 4.554 9.154 0.507 1.00 0.00 O ATOM 175 CB ILE A 11 3.983 7.402 -1.766 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.624 6.179 -2.620 1.00 0.00 C ATOM 177 CG2 ILE A 11 4.858 8.368 -2.548 1.00 0.00 C ATOM 178 CD1 ILE A 11 3.311 6.513 -4.066 1.00 0.00 C ATOM 0 H ILE A 11 2.800 6.402 0.248 1.00 0.00 H new ATOM 0 HA ILE A 11 5.519 6.296 -0.717 1.00 0.00 H new ATOM 0 HB ILE A 11 3.059 7.915 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.453 5.472 -2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.762 5.679 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.343 8.668 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.061 9.249 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.798 7.880 -2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.067 5.598 -4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.462 7.196 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.179 6.985 -4.526 1.00 0.00 H new ATOM 190 N ARG A 12 6.558 8.136 0.543 1.00 0.00 N ATOM 191 CA ARG A 12 7.233 9.232 1.242 1.00 0.00 C ATOM 192 C ARG A 12 7.605 10.351 0.284 1.00 0.00 C ATOM 193 O ARG A 12 7.810 10.119 -0.908 1.00 0.00 O ATOM 194 CB ARG A 12 8.481 8.730 1.960 1.00 0.00 C ATOM 195 CG ARG A 12 8.242 8.403 3.423 1.00 0.00 C ATOM 196 CD ARG A 12 8.622 9.567 4.323 1.00 0.00 C ATOM 197 NE ARG A 12 9.092 9.117 5.630 1.00 0.00 N ATOM 198 CZ ARG A 12 9.821 9.866 6.456 1.00 0.00 C ATOM 199 NH1 ARG A 12 10.163 11.102 6.113 1.00 0.00 N ATOM 200 NH2 ARG A 12 10.206 9.379 7.626 1.00 0.00 N ATOM 0 H ARG A 12 7.162 7.346 0.314 1.00 0.00 H new ATOM 0 HA ARG A 12 6.535 9.627 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.851 7.839 1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.263 9.486 1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.192 8.153 3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.823 7.523 3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.401 10.158 3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.760 10.221 4.453 1.00 0.00 H new ATOM 0 HE ARG A 12 8.848 8.173 5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.867 11.482 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.721 11.672 6.749 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.944 8.430 7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.764 9.953 8.258 1.00 0.00 H new ATOM 214 N ASN A 13 7.695 11.569 0.822 1.00 0.00 N ATOM 215 CA ASN A 13 8.031 12.738 0.016 1.00 0.00 C ATOM 216 C ASN A 13 9.243 13.509 0.537 1.00 0.00 C ATOM 217 O ASN A 13 9.955 13.083 1.445 1.00 0.00 O ATOM 218 CB ASN A 13 6.846 13.690 -0.070 1.00 0.00 C ATOM 219 CG ASN A 13 6.775 14.421 -1.398 1.00 0.00 C ATOM 220 OD1 ASN A 13 7.152 13.882 -2.438 1.00 0.00 O ATOM 221 ND2 ASN A 13 6.292 15.658 -1.367 1.00 0.00 N ATOM 0 H ASN A 13 7.540 11.768 1.810 1.00 0.00 H new ATOM 0 HA ASN A 13 8.285 12.350 -0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.924 13.129 0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.912 14.419 0.738 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.222 16.200 -2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.991 16.066 -0.482 1.00 0.00 H new ATOM 228 N GLU A 14 9.451 14.644 -0.111 1.00 0.00 N ATOM 229 CA GLU A 14 10.556 15.555 0.159 1.00 0.00 C ATOM 230 C GLU A 14 10.728 15.858 1.636 1.00 0.00 C ATOM 231 O GLU A 14 11.840 15.833 2.163 1.00 0.00 O ATOM 232 CB GLU A 14 10.333 16.856 -0.619 1.00 0.00 C ATOM 233 CG GLU A 14 11.274 17.985 -0.227 1.00 0.00 C ATOM 234 CD GLU A 14 12.729 17.647 -0.482 1.00 0.00 C ATOM 235 OE1 GLU A 14 13.160 16.542 -0.091 1.00 0.00 O ATOM 236 OE2 GLU A 14 13.439 18.487 -1.074 1.00 0.00 O ATOM 0 H GLU A 14 8.840 14.968 -0.861 1.00 0.00 H new ATOM 0 HA GLU A 14 11.473 15.064 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.449 16.654 -1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.305 17.185 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.010 18.883 -0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.138 18.216 0.830 1.00 0.00 H new ATOM 243 N ASN A 15 9.635 16.179 2.281 1.00 0.00 N ATOM 244 CA ASN A 15 9.669 16.535 3.700 1.00 0.00 C ATOM 245 C ASN A 15 9.444 15.326 4.599 1.00 0.00 C ATOM 246 O ASN A 15 10.330 14.917 5.348 1.00 0.00 O ATOM 247 CB ASN A 15 8.617 17.604 4.001 1.00 0.00 C ATOM 248 CG ASN A 15 8.967 18.434 5.220 1.00 0.00 C ATOM 249 OD1 ASN A 15 9.626 17.955 6.143 1.00 0.00 O ATOM 250 ND2 ASN A 15 8.527 19.687 5.230 1.00 0.00 N ATOM 0 H ASN A 15 8.707 16.205 1.859 1.00 0.00 H new ATOM 0 HA ASN A 15 10.664 16.927 3.912 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.512 18.260 3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.651 17.125 4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.732 20.293 6.024 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.984 20.043 4.443 1.00 0.00 H new ATOM 257 N ASN A 16 8.249 14.768 4.507 1.00 0.00 N ATOM 258 CA ASN A 16 7.864 13.596 5.303 1.00 0.00 C ATOM 259 C ASN A 16 6.352 13.345 5.254 1.00 0.00 C ATOM 260 O ASN A 16 5.821 12.581 6.061 1.00 0.00 O ATOM 261 CB ASN A 16 8.303 13.764 6.762 1.00 0.00 C ATOM 262 CG ASN A 16 8.008 15.152 7.299 1.00 0.00 C ATOM 263 OD1 ASN A 16 7.368 15.965 6.632 1.00 0.00 O ATOM 264 ND2 ASN A 16 8.474 15.430 8.511 1.00 0.00 N ATOM 0 H ASN A 16 7.516 15.106 3.884 1.00 0.00 H new ATOM 0 HA ASN A 16 8.370 12.735 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.795 13.023 7.379 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.372 13.566 6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.306 16.347 8.924 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.000 14.726 9.029 1.00 0.00 H new ATOM 271 N GLU A 17 5.663 13.970 4.299 1.00 0.00 N ATOM 272 CA GLU A 17 4.234 13.791 4.142 1.00 0.00 C ATOM 273 C GLU A 17 3.992 12.851 2.980 1.00 0.00 C ATOM 274 O GLU A 17 4.466 13.092 1.869 1.00 0.00 O ATOM 275 CB GLU A 17 3.558 15.139 3.903 1.00 0.00 C ATOM 276 CG GLU A 17 4.214 15.970 2.811 1.00 0.00 C ATOM 277 CD GLU A 17 5.320 16.861 3.343 1.00 0.00 C ATOM 278 OE1 GLU A 17 5.356 17.096 4.570 1.00 0.00 O ATOM 279 OE2 GLU A 17 6.150 17.324 2.533 1.00 0.00 O ATOM 0 H GLU A 17 6.082 14.607 3.622 1.00 0.00 H new ATOM 0 HA GLU A 17 3.807 13.362 5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.514 14.970 3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.564 15.708 4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.622 15.306 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.458 16.586 2.325 1.00 0.00 H new ATOM 286 N ILE A 18 3.367 11.723 3.260 1.00 0.00 N ATOM 287 CA ILE A 18 3.203 10.698 2.269 1.00 0.00 C ATOM 288 C ILE A 18 1.812 10.670 1.640 1.00 0.00 C ATOM 289 O ILE A 18 0.790 10.574 2.320 1.00 0.00 O ATOM 290 CB ILE A 18 3.515 9.335 2.931 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.265 8.704 3.543 1.00 0.00 C ATOM 292 CG2 ILE A 18 4.601 9.482 3.988 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.475 7.888 2.549 1.00 0.00 C ATOM 0 H ILE A 18 2.966 11.501 4.171 1.00 0.00 H new ATOM 0 HA ILE A 18 3.892 10.912 1.452 1.00 0.00 H new ATOM 0 HB ILE A 18 3.876 8.670 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.557 8.067 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.628 9.490 3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.803 8.511 4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.511 9.863 3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.267 10.178 4.758 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.599 7.465 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.156 8.527 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.099 7.082 2.162 1.00 0.00 H new ATOM 305 N PHE A 19 1.811 10.805 0.318 1.00 0.00 N ATOM 306 CA PHE A 19 0.588 10.846 -0.467 1.00 0.00 C ATOM 307 C PHE A 19 -0.245 9.571 -0.308 1.00 0.00 C ATOM 308 O PHE A 19 0.071 8.520 -0.866 1.00 0.00 O ATOM 309 CB PHE A 19 0.933 11.103 -1.947 1.00 0.00 C ATOM 310 CG PHE A 19 0.346 10.114 -2.917 1.00 0.00 C ATOM 311 CD1 PHE A 19 -1.019 10.079 -3.149 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.160 9.219 -3.593 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.562 9.172 -4.039 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.624 8.310 -4.483 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.738 8.287 -4.708 1.00 0.00 C ATOM 0 H PHE A 19 2.662 10.889 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.027 11.665 -0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.589 12.102 -2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.017 11.098 -2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.667 10.769 -2.628 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.226 9.233 -3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.628 9.155 -4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.269 7.617 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.159 7.578 -5.406 1.00 0.00 H new ATOM 325 N ILE A 20 -1.326 9.699 0.452 1.00 0.00 N ATOM 326 CA ILE A 20 -2.243 8.590 0.685 1.00 0.00 C ATOM 327 C ILE A 20 -3.503 8.786 -0.156 1.00 0.00 C ATOM 328 O ILE A 20 -4.032 9.894 -0.239 1.00 0.00 O ATOM 329 CB ILE A 20 -2.651 8.458 2.175 1.00 0.00 C ATOM 330 CG1 ILE A 20 -2.054 9.586 3.022 1.00 0.00 C ATOM 331 CG2 ILE A 20 -2.225 7.104 2.721 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.490 9.548 4.470 1.00 0.00 C ATOM 0 H ILE A 20 -1.590 10.566 0.920 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.721 7.676 0.400 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.737 8.538 2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.967 9.527 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.340 10.545 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.518 7.025 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.708 6.312 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.143 7.002 2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.030 10.375 5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.575 9.637 4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.180 8.604 4.919 1.00 0.00 H new ATOM 344 N THR A 21 -3.983 7.717 -0.780 1.00 0.00 N ATOM 345 CA THR A 21 -5.182 7.803 -1.612 1.00 0.00 C ATOM 346 C THR A 21 -6.422 8.013 -0.750 1.00 0.00 C ATOM 347 O THR A 21 -6.820 7.125 -0.001 1.00 0.00 O ATOM 348 CB THR A 21 -5.344 6.531 -2.448 1.00 0.00 C ATOM 349 OG1 THR A 21 -5.860 5.474 -1.660 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.051 6.052 -3.071 1.00 0.00 C ATOM 0 H THR A 21 -3.567 6.787 -0.728 1.00 0.00 H new ATOM 0 HA THR A 21 -5.070 8.657 -2.280 1.00 0.00 H new ATOM 0 HB THR A 21 -6.034 6.800 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.791 5.709 -0.711 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.239 5.147 -3.649 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.655 6.826 -3.728 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.327 5.837 -2.286 1.00 0.00 H new ATOM 358 N ARG A 22 -7.026 9.196 -0.858 1.00 0.00 N ATOM 359 CA ARG A 22 -8.218 9.520 -0.077 1.00 0.00 C ATOM 360 C ARG A 22 -9.337 10.071 -0.958 1.00 0.00 C ATOM 361 O ARG A 22 -9.091 10.829 -1.897 1.00 0.00 O ATOM 362 CB ARG A 22 -7.876 10.541 1.013 1.00 0.00 C ATOM 363 CG ARG A 22 -9.077 10.979 1.839 1.00 0.00 C ATOM 364 CD ARG A 22 -8.784 10.930 3.330 1.00 0.00 C ATOM 365 NE ARG A 22 -7.843 11.969 3.740 1.00 0.00 N ATOM 366 CZ ARG A 22 -8.189 13.233 3.974 1.00 0.00 C ATOM 367 NH1 ARG A 22 -9.451 13.620 3.833 1.00 0.00 N ATOM 368 NH2 ARG A 22 -7.272 14.113 4.350 1.00 0.00 N ATOM 0 H ARG A 22 -6.710 9.943 -1.477 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.569 8.596 0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.126 10.112 1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.426 11.418 0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.362 11.993 1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.927 10.335 1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.715 11.045 3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.378 9.952 3.587 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.863 11.711 3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.161 12.948 3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.710 14.590 4.014 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.301 13.822 4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.538 15.081 4.529 1.00 0.00 H new ATOM 493 N ASN A 31 -13.760 6.657 2.695 1.00 0.00 N ATOM 494 CA ASN A 31 -13.446 5.417 3.399 1.00 0.00 C ATOM 495 C ASN A 31 -12.334 4.638 2.692 1.00 0.00 C ATOM 496 O ASN A 31 -11.962 3.547 3.127 1.00 0.00 O ATOM 497 CB ASN A 31 -14.697 4.544 3.513 1.00 0.00 C ATOM 498 CG ASN A 31 -14.776 3.819 4.843 1.00 0.00 C ATOM 499 OD1 ASN A 31 -15.604 4.145 5.693 1.00 0.00 O ATOM 500 ND2 ASN A 31 -13.913 2.827 5.028 1.00 0.00 N ATOM 0 HA ASN A 31 -13.095 5.681 4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.583 5.166 3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.703 3.814 2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.920 2.301 5.902 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -13.243 2.590 4.296 1.00 0.00 H new ATOM 507 N LYS A 32 -11.812 5.195 1.602 1.00 0.00 N ATOM 508 CA LYS A 32 -10.751 4.543 0.840 1.00 0.00 C ATOM 509 C LYS A 32 -9.404 5.214 1.075 1.00 0.00 C ATOM 510 O LYS A 32 -8.523 5.172 0.217 1.00 0.00 O ATOM 511 CB LYS A 32 -11.088 4.526 -0.652 1.00 0.00 C ATOM 512 CG LYS A 32 -11.436 3.142 -1.178 1.00 0.00 C ATOM 513 CD LYS A 32 -10.626 2.791 -2.416 1.00 0.00 C ATOM 514 CE LYS A 32 -9.161 2.572 -2.079 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.881 1.157 -1.707 1.00 0.00 N ATOM 0 H LYS A 32 -12.107 6.097 1.227 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.677 3.514 1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.927 5.197 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.239 4.917 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.252 2.400 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.499 3.099 -1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.033 1.890 -2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.716 3.592 -3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.546 2.851 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.876 3.227 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.871 1.050 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.448 0.898 -0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.128 0.534 -2.502 1.00 0.00 H new ATOM 529 N LEU A 33 -9.263 5.833 2.236 1.00 0.00 N ATOM 530 CA LEU A 33 -8.027 6.525 2.604 1.00 0.00 C ATOM 531 C LEU A 33 -6.863 5.541 2.752 1.00 0.00 C ATOM 532 O LEU A 33 -6.279 5.408 3.825 1.00 0.00 O ATOM 533 CB LEU A 33 -8.237 7.306 3.906 1.00 0.00 C ATOM 534 CG LEU A 33 -6.979 7.934 4.513 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.209 8.742 3.479 1.00 0.00 C ATOM 536 CD2 LEU A 33 -7.345 8.804 5.707 1.00 0.00 C ATOM 0 H LEU A 33 -9.992 5.873 2.948 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.772 7.222 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.963 8.098 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.678 6.635 4.643 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.331 7.126 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.322 9.174 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.909 8.091 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.844 9.541 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.441 9.243 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.019 9.598 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.838 8.194 6.464 1.00 0.00 H new ATOM 548 N GLU A 34 -6.525 4.851 1.663 1.00 0.00 N ATOM 549 CA GLU A 34 -5.436 3.882 1.679 1.00 0.00 C ATOM 550 C GLU A 34 -4.311 4.306 0.743 1.00 0.00 C ATOM 551 O GLU A 34 -4.303 5.424 0.232 1.00 0.00 O ATOM 552 CB GLU A 34 -5.947 2.497 1.278 1.00 0.00 C ATOM 553 CG GLU A 34 -5.422 1.378 2.164 1.00 0.00 C ATOM 554 CD GLU A 34 -5.458 0.027 1.477 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.407 -0.223 0.705 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.536 -0.783 1.713 1.00 0.00 O ATOM 0 H GLU A 34 -6.991 4.947 0.761 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.044 3.839 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.036 2.496 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.660 2.297 0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.398 1.604 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.015 1.333 3.077 1.00 0.00 H new ATOM 563 N PHE A 35 -3.362 3.404 0.528 1.00 0.00 N ATOM 564 CA PHE A 35 -2.227 3.680 -0.345 1.00 0.00 C ATOM 565 C PHE A 35 -2.171 2.695 -1.515 1.00 0.00 C ATOM 566 O PHE A 35 -2.782 1.626 -1.471 1.00 0.00 O ATOM 567 CB PHE A 35 -0.905 3.621 0.439 1.00 0.00 C ATOM 568 CG PHE A 35 -1.063 3.532 1.935 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.614 2.404 2.521 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.650 4.572 2.752 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.753 2.315 3.892 1.00 0.00 C ATOM 572 CE2 PHE A 35 -0.785 4.488 4.126 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.337 3.357 4.696 1.00 0.00 C ATOM 0 H PHE A 35 -3.355 2.474 0.946 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.363 4.686 -0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.333 2.759 0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.318 4.508 0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.939 1.584 1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.218 5.458 2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.187 1.431 4.335 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.459 5.305 4.752 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.443 3.288 5.769 1.00 0.00 H new ATOM 583 N PRO A 36 -1.403 3.034 -2.567 1.00 0.00 N ATOM 584 CA PRO A 36 -1.217 2.181 -3.747 1.00 0.00 C ATOM 585 C PRO A 36 -0.877 0.746 -3.358 1.00 0.00 C ATOM 586 O PRO A 36 -0.582 0.470 -2.195 1.00 0.00 O ATOM 587 CB PRO A 36 -0.039 2.827 -4.495 1.00 0.00 C ATOM 588 CG PRO A 36 0.525 3.843 -3.558 1.00 0.00 C ATOM 589 CD PRO A 36 -0.614 4.269 -2.679 1.00 0.00 C ATOM 0 HA PRO A 36 -2.124 2.118 -4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.711 2.082 -4.763 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.372 3.292 -5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.338 3.421 -2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.936 4.692 -4.104 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.268 4.620 -1.707 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.190 5.080 -3.124 1.00 0.00 H new ATOM 597 N GLY A 37 -0.917 -0.172 -4.324 1.00 0.00 N ATOM 598 CA GLY A 37 -0.605 -1.556 -4.016 1.00 0.00 C ATOM 599 C GLY A 37 -1.817 -2.461 -3.903 1.00 0.00 C ATOM 600 O GLY A 37 -2.071 -3.076 -2.868 1.00 0.00 O ATOM 0 H GLY A 37 -1.156 0.015 -5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.055 -1.948 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.052 -1.591 -3.077 1.00 0.00 H new ATOM 604 N GLY A 38 -2.547 -2.536 -4.990 1.00 0.00 N ATOM 605 CA GLY A 38 -3.730 -3.372 -5.064 1.00 0.00 C ATOM 606 C GLY A 38 -3.732 -4.242 -6.312 1.00 0.00 C ATOM 607 O GLY A 38 -3.675 -3.716 -7.423 1.00 0.00 O ATOM 0 H GLY A 38 -2.342 -2.023 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.782 -4.006 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.620 -2.743 -5.058 1.00 0.00 H new ATOM 611 N LYS A 39 -3.791 -5.573 -6.126 1.00 0.00 N ATOM 612 CA LYS A 39 -3.798 -6.538 -7.234 1.00 0.00 C ATOM 613 C LYS A 39 -2.410 -7.125 -7.482 1.00 0.00 C ATOM 614 O LYS A 39 -2.140 -7.660 -8.557 1.00 0.00 O ATOM 615 CB LYS A 39 -4.331 -5.923 -8.531 1.00 0.00 C ATOM 616 CG LYS A 39 -4.500 -6.937 -9.647 1.00 0.00 C ATOM 617 CD LYS A 39 -5.792 -6.715 -10.417 1.00 0.00 C ATOM 618 CE LYS A 39 -6.904 -7.617 -9.909 1.00 0.00 C ATOM 619 NZ LYS A 39 -7.581 -7.047 -8.711 1.00 0.00 N ATOM 0 H LYS A 39 -3.835 -6.007 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.471 -7.340 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.291 -5.447 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.649 -5.139 -8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.653 -6.871 -10.330 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.494 -7.943 -9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.097 -5.673 -10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.623 -6.906 -11.477 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.637 -7.770 -10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.493 -8.596 -9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.333 -7.693 -8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.887 -6.924 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.996 -6.125 -8.953 1.00 0.00 H new ATOM 633 N ILE A 40 -1.537 -7.043 -6.486 1.00 0.00 N ATOM 634 CA ILE A 40 -0.190 -7.593 -6.620 1.00 0.00 C ATOM 635 C ILE A 40 -0.251 -9.109 -6.617 1.00 0.00 C ATOM 636 O ILE A 40 0.555 -9.790 -7.251 1.00 0.00 O ATOM 637 CB ILE A 40 0.775 -7.099 -5.510 1.00 0.00 C ATOM 638 CG1 ILE A 40 0.925 -8.130 -4.374 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.300 -5.762 -4.959 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.349 -8.290 -3.886 1.00 0.00 C ATOM 0 H ILE A 40 -1.732 -6.606 -5.585 1.00 0.00 H new ATOM 0 HA ILE A 40 0.209 -7.236 -7.569 1.00 0.00 H new ATOM 0 HB ILE A 40 1.759 -6.971 -5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.294 -7.830 -3.537 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.558 -9.096 -4.720 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.985 -5.425 -4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.274 -5.026 -5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.699 -5.876 -4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.379 -9.031 -3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.981 -8.620 -4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.714 -7.335 -3.509 1.00 0.00 H new ATOM 652 N GLU A 41 -1.227 -9.616 -5.878 1.00 0.00 N ATOM 653 CA GLU A 41 -1.452 -11.047 -5.740 1.00 0.00 C ATOM 654 C GLU A 41 -1.264 -11.768 -7.071 1.00 0.00 C ATOM 655 O GLU A 41 -0.199 -12.324 -7.335 1.00 0.00 O ATOM 656 CB GLU A 41 -2.860 -11.301 -5.188 1.00 0.00 C ATOM 657 CG GLU A 41 -3.902 -10.285 -5.653 1.00 0.00 C ATOM 658 CD GLU A 41 -5.112 -10.939 -6.292 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.051 -11.251 -7.499 1.00 0.00 O ATOM 660 OE2 GLU A 41 -6.123 -11.136 -5.583 1.00 0.00 O ATOM 0 H GLU A 41 -1.889 -9.043 -5.354 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.716 -11.444 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.182 -12.299 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.819 -11.292 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.225 -9.686 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.444 -9.602 -6.368 1.00 0.00 H new ATOM 667 N MET A 42 -2.301 -11.744 -7.906 1.00 0.00 N ATOM 668 CA MET A 42 -2.261 -12.388 -9.221 1.00 0.00 C ATOM 669 C MET A 42 -1.531 -13.735 -9.171 1.00 0.00 C ATOM 670 O MET A 42 -2.150 -14.774 -8.938 1.00 0.00 O ATOM 671 CB MET A 42 -1.597 -11.459 -10.244 1.00 0.00 C ATOM 672 CG MET A 42 -2.587 -10.746 -11.148 1.00 0.00 C ATOM 673 SD MET A 42 -1.931 -9.207 -11.820 1.00 0.00 S ATOM 674 CE MET A 42 -0.680 -9.834 -12.940 1.00 0.00 C ATOM 0 H MET A 42 -3.186 -11.283 -7.695 1.00 0.00 H new ATOM 0 HA MET A 42 -3.289 -12.582 -9.528 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.000 -10.716 -9.715 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.910 -12.041 -10.859 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.865 -11.407 -11.969 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.497 -10.534 -10.587 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.183 -8.999 -13.434 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.054 -10.413 -12.379 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.149 -10.472 -13.689 1.00 0.00 H new ATOM 684 N GLY A 43 -0.217 -13.712 -9.394 1.00 0.00 N ATOM 685 CA GLY A 43 0.559 -14.938 -9.369 1.00 0.00 C ATOM 686 C GLY A 43 2.034 -14.708 -9.620 1.00 0.00 C ATOM 687 O GLY A 43 2.718 -15.560 -10.185 1.00 0.00 O ATOM 0 H GLY A 43 0.320 -12.868 -9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.432 -15.423 -8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.170 -15.623 -10.122 1.00 0.00 H new ATOM 691 N GLU A 44 2.519 -13.554 -9.199 1.00 0.00 N ATOM 692 CA GLU A 44 3.924 -13.199 -9.377 1.00 0.00 C ATOM 693 C GLU A 44 4.775 -13.755 -8.234 1.00 0.00 C ATOM 694 O GLU A 44 4.352 -14.669 -7.527 1.00 0.00 O ATOM 695 CB GLU A 44 4.073 -11.679 -9.467 1.00 0.00 C ATOM 696 CG GLU A 44 4.693 -11.209 -10.772 1.00 0.00 C ATOM 697 CD GLU A 44 3.830 -10.192 -11.497 1.00 0.00 C ATOM 698 OE1 GLU A 44 3.086 -9.454 -10.818 1.00 0.00 O ATOM 699 OE2 GLU A 44 3.901 -10.135 -12.742 1.00 0.00 O ATOM 0 H GLU A 44 1.962 -12.841 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 44 4.278 -13.643 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.092 -11.218 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.687 -11.332 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.670 -10.771 -10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.858 -12.069 -11.422 1.00 0.00 H new ATOM 706 N THR A 45 5.971 -13.196 -8.049 1.00 0.00 N ATOM 707 CA THR A 45 6.861 -13.640 -6.986 1.00 0.00 C ATOM 708 C THR A 45 6.744 -12.707 -5.786 1.00 0.00 C ATOM 709 O THR A 45 6.284 -11.574 -5.921 1.00 0.00 O ATOM 710 CB THR A 45 8.310 -13.676 -7.486 1.00 0.00 C ATOM 711 OG1 THR A 45 8.378 -13.325 -8.858 1.00 0.00 O ATOM 712 CG2 THR A 45 8.966 -15.031 -7.329 1.00 0.00 C ATOM 0 H THR A 45 6.341 -12.437 -8.622 1.00 0.00 H new ATOM 0 HA THR A 45 6.572 -14.646 -6.683 1.00 0.00 H new ATOM 0 HB THR A 45 8.845 -12.956 -6.866 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.138 -13.782 -9.275 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.989 -14.985 -7.702 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.976 -15.310 -6.275 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.406 -15.774 -7.896 1.00 0.00 H new ATOM 720 N PRO A 46 7.165 -13.160 -4.592 1.00 0.00 N ATOM 721 CA PRO A 46 7.108 -12.350 -3.378 1.00 0.00 C ATOM 722 C PRO A 46 7.583 -10.921 -3.627 1.00 0.00 C ATOM 723 O PRO A 46 7.134 -9.983 -2.970 1.00 0.00 O ATOM 724 CB PRO A 46 8.056 -13.078 -2.407 1.00 0.00 C ATOM 725 CG PRO A 46 8.685 -14.182 -3.198 1.00 0.00 C ATOM 726 CD PRO A 46 7.735 -14.480 -4.318 1.00 0.00 C ATOM 0 HA PRO A 46 6.092 -12.254 -2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.813 -12.398 -2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.510 -13.473 -1.551 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.659 -13.880 -3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.846 -15.064 -2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.246 -14.892 -5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.972 -15.201 -4.025 1.00 0.00 H new ATOM 734 N GLU A 47 8.495 -10.766 -4.580 1.00 0.00 N ATOM 735 CA GLU A 47 9.031 -9.455 -4.919 1.00 0.00 C ATOM 736 C GLU A 47 8.444 -8.931 -6.231 1.00 0.00 C ATOM 737 O GLU A 47 8.055 -7.768 -6.321 1.00 0.00 O ATOM 738 CB GLU A 47 10.557 -9.519 -5.019 1.00 0.00 C ATOM 739 CG GLU A 47 11.268 -8.962 -3.796 1.00 0.00 C ATOM 740 CD GLU A 47 12.244 -9.950 -3.186 1.00 0.00 C ATOM 741 OE1 GLU A 47 13.241 -10.290 -3.857 1.00 0.00 O ATOM 742 OE2 GLU A 47 12.009 -10.386 -2.038 1.00 0.00 O ATOM 0 H GLU A 47 8.878 -11.534 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 47 8.749 -8.765 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.861 -10.556 -5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.879 -8.965 -5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.803 -8.054 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.528 -8.680 -3.048 1.00 0.00 H new ATOM 749 N GLN A 48 8.395 -9.787 -7.252 1.00 0.00 N ATOM 750 CA GLN A 48 7.875 -9.389 -8.559 1.00 0.00 C ATOM 751 C GLN A 48 6.363 -9.188 -8.542 1.00 0.00 C ATOM 752 O GLN A 48 5.782 -8.752 -9.536 1.00 0.00 O ATOM 753 CB GLN A 48 8.253 -10.426 -9.617 1.00 0.00 C ATOM 754 CG GLN A 48 9.712 -10.848 -9.565 1.00 0.00 C ATOM 755 CD GLN A 48 10.145 -11.602 -10.806 1.00 0.00 C ATOM 756 OE1 GLN A 48 9.676 -11.325 -11.910 1.00 0.00 O ATOM 757 NE2 GLN A 48 11.044 -12.565 -10.631 1.00 0.00 N ATOM 0 H GLN A 48 8.708 -10.756 -7.199 1.00 0.00 H new ATOM 0 HA GLN A 48 8.330 -8.430 -8.809 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.624 -11.307 -9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.036 -10.020 -10.605 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.338 -9.964 -9.445 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.874 -11.475 -8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.406 -12.761 -9.698 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.372 -13.108 -11.430 1.00 0.00 H new ATOM 766 N ALA A 49 5.725 -9.485 -7.416 1.00 0.00 N ATOM 767 CA ALA A 49 4.287 -9.305 -7.300 1.00 0.00 C ATOM 768 C ALA A 49 3.966 -7.839 -7.054 1.00 0.00 C ATOM 769 O ALA A 49 3.206 -7.222 -7.800 1.00 0.00 O ATOM 770 CB ALA A 49 3.728 -10.173 -6.183 1.00 0.00 C ATOM 0 H ALA A 49 6.178 -9.849 -6.578 1.00 0.00 H new ATOM 0 HA ALA A 49 3.817 -9.613 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.651 -10.025 -6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.937 -11.221 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.196 -9.896 -5.238 1.00 0.00 H new ATOM 776 N VAL A 50 4.588 -7.279 -6.026 1.00 0.00 N ATOM 777 CA VAL A 50 4.405 -5.872 -5.712 1.00 0.00 C ATOM 778 C VAL A 50 5.267 -4.993 -6.610 1.00 0.00 C ATOM 779 O VAL A 50 4.825 -3.950 -7.068 1.00 0.00 O ATOM 780 CB VAL A 50 4.703 -5.529 -4.239 1.00 0.00 C ATOM 781 CG1 VAL A 50 5.975 -6.205 -3.757 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.793 -4.018 -4.065 1.00 0.00 C ATOM 0 H VAL A 50 5.221 -7.776 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 50 3.349 -5.670 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 50 3.883 -5.907 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.155 -5.941 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.868 -7.286 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.816 -5.873 -4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.004 -3.784 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.593 -3.626 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.847 -3.561 -4.355 1.00 0.00 H new ATOM 792 N VAL A 51 6.510 -5.409 -6.836 1.00 0.00 N ATOM 793 CA VAL A 51 7.434 -4.634 -7.657 1.00 0.00 C ATOM 794 C VAL A 51 6.806 -4.263 -8.992 1.00 0.00 C ATOM 795 O VAL A 51 7.045 -3.174 -9.514 1.00 0.00 O ATOM 796 CB VAL A 51 8.762 -5.390 -7.893 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.638 -4.660 -8.905 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.507 -5.572 -6.579 1.00 0.00 C ATOM 0 H VAL A 51 6.899 -6.275 -6.464 1.00 0.00 H new ATOM 0 HA VAL A 51 7.655 -3.720 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 51 8.524 -6.372 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.565 -5.215 -9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.109 -4.582 -9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.867 -3.661 -8.534 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.440 -6.106 -6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.726 -4.596 -6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.890 -6.145 -5.887 1.00 0.00 H new ATOM 808 N ARG A 52 5.998 -5.160 -9.543 1.00 0.00 N ATOM 809 CA ARG A 52 5.343 -4.897 -10.816 1.00 0.00 C ATOM 810 C ARG A 52 4.144 -3.974 -10.627 1.00 0.00 C ATOM 811 O ARG A 52 3.796 -3.194 -11.514 1.00 0.00 O ATOM 812 CB ARG A 52 4.910 -6.205 -11.480 1.00 0.00 C ATOM 813 CG ARG A 52 5.242 -6.277 -12.962 1.00 0.00 C ATOM 814 CD ARG A 52 4.004 -6.545 -13.802 1.00 0.00 C ATOM 815 NE ARG A 52 2.887 -5.685 -13.421 1.00 0.00 N ATOM 816 CZ ARG A 52 1.626 -5.902 -13.786 1.00 0.00 C ATOM 817 NH1 ARG A 52 1.317 -6.947 -14.544 1.00 0.00 N ATOM 818 NH2 ARG A 52 0.670 -5.070 -13.393 1.00 0.00 N ATOM 0 H ARG A 52 5.782 -6.068 -9.132 1.00 0.00 H new ATOM 0 HA ARG A 52 6.060 -4.399 -11.469 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.391 -7.039 -10.968 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.835 -6.329 -11.351 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.701 -5.340 -13.278 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.976 -7.065 -13.133 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.239 -6.388 -14.855 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.711 -7.589 -13.693 1.00 0.00 H new ATOM 0 HE ARG A 52 3.085 -4.870 -12.841 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.048 -7.589 -14.850 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.348 -7.108 -14.820 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.902 -4.265 -12.812 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.297 -5.236 -13.672 1.00 0.00 H new ATOM 832 N GLU A 53 3.549 -4.044 -9.447 1.00 0.00 N ATOM 833 CA GLU A 53 2.422 -3.188 -9.109 1.00 0.00 C ATOM 834 C GLU A 53 2.943 -1.807 -8.729 1.00 0.00 C ATOM 835 O GLU A 53 2.331 -0.790 -9.020 1.00 0.00 O ATOM 836 CB GLU A 53 1.616 -3.790 -7.959 1.00 0.00 C ATOM 837 CG GLU A 53 0.758 -4.973 -8.377 1.00 0.00 C ATOM 838 CD GLU A 53 -0.191 -4.632 -9.509 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.217 -4.758 -10.684 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.341 -4.240 -9.222 1.00 0.00 O ATOM 0 H GLU A 53 3.828 -4.686 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 53 1.762 -3.103 -9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.301 -4.107 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.975 -3.019 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.404 -5.795 -8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.184 -5.322 -7.519 1.00 0.00 H new ATOM 847 N LEU A 54 4.066 -1.815 -8.026 1.00 0.00 N ATOM 848 CA LEU A 54 4.668 -0.586 -7.533 1.00 0.00 C ATOM 849 C LEU A 54 4.717 0.429 -8.664 1.00 0.00 C ATOM 850 O LEU A 54 4.302 1.576 -8.502 1.00 0.00 O ATOM 851 CB LEU A 54 6.072 -0.863 -7.007 1.00 0.00 C ATOM 852 CG LEU A 54 6.446 -0.082 -5.755 1.00 0.00 C ATOM 853 CD1 LEU A 54 5.862 -0.743 -4.515 1.00 0.00 C ATOM 854 CD2 LEU A 54 7.954 0.046 -5.649 1.00 0.00 C ATOM 0 H LEU A 54 4.580 -2.662 -7.784 1.00 0.00 H new ATOM 0 HA LEU A 54 4.069 -0.187 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.163 -1.928 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.792 -0.632 -7.792 1.00 0.00 H new ATOM 0 HG LEU A 54 6.023 0.920 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.141 -0.169 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.776 -0.776 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.250 -1.758 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.209 0.606 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.401 -0.947 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.337 0.571 -6.524 1.00 0.00 H new ATOM 866 N GLN A 55 5.197 -0.007 -9.817 1.00 0.00 N ATOM 867 CA GLN A 55 5.263 0.865 -10.988 1.00 0.00 C ATOM 868 C GLN A 55 3.859 1.075 -11.551 1.00 0.00 C ATOM 869 O GLN A 55 3.563 2.096 -12.171 1.00 0.00 O ATOM 870 CB GLN A 55 6.176 0.258 -12.056 1.00 0.00 C ATOM 871 CG GLN A 55 7.059 1.279 -12.755 1.00 0.00 C ATOM 872 CD GLN A 55 7.420 0.867 -14.169 1.00 0.00 C ATOM 873 OE1 GLN A 55 7.421 1.687 -15.086 1.00 0.00 O ATOM 874 NE2 GLN A 55 7.730 -0.411 -14.350 1.00 0.00 N ATOM 0 H GLN A 55 5.546 -0.953 -9.971 1.00 0.00 H new ATOM 0 HA GLN A 55 5.677 1.828 -10.690 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.808 -0.500 -11.593 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.563 -0.249 -12.801 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.546 2.241 -12.780 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.972 1.420 -12.177 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.716 -1.056 -13.560 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.982 -0.748 -15.279 1.00 0.00 H new ATOM 883 N GLU A 56 3.003 0.090 -11.308 1.00 0.00 N ATOM 884 CA GLU A 56 1.618 0.131 -11.757 1.00 0.00 C ATOM 885 C GLU A 56 0.796 1.081 -10.896 1.00 0.00 C ATOM 886 O GLU A 56 -0.241 1.577 -11.327 1.00 0.00 O ATOM 887 CB GLU A 56 0.999 -1.265 -11.694 1.00 0.00 C ATOM 888 CG GLU A 56 -0.050 -1.520 -12.765 1.00 0.00 C ATOM 889 CD GLU A 56 -1.326 -2.120 -12.202 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.633 -1.865 -11.017 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.018 -2.847 -12.946 1.00 0.00 O ATOM 0 H GLU A 56 3.249 -0.757 -10.796 1.00 0.00 H new ATOM 0 HA GLU A 56 1.611 0.489 -12.787 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.791 -2.008 -11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.545 -1.407 -10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.285 -0.582 -13.268 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.361 -2.192 -13.518 1.00 0.00 H new ATOM 898 N GLU A 57 1.254 1.311 -9.667 1.00 0.00 N ATOM 899 CA GLU A 57 0.546 2.183 -8.741 1.00 0.00 C ATOM 900 C GLU A 57 1.287 3.504 -8.529 1.00 0.00 C ATOM 901 O GLU A 57 0.877 4.330 -7.712 1.00 0.00 O ATOM 902 CB GLU A 57 0.338 1.470 -7.404 1.00 0.00 C ATOM 903 CG GLU A 57 -0.132 0.030 -7.548 1.00 0.00 C ATOM 904 CD GLU A 57 -1.609 -0.073 -7.873 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.115 0.797 -8.613 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.258 -1.026 -7.394 1.00 0.00 O ATOM 0 H GLU A 57 2.111 0.905 -9.293 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.424 2.417 -9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.274 1.484 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.393 2.025 -6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.444 -0.459 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.071 -0.508 -6.622 1.00 0.00 H new ATOM 913 N VAL A 58 2.367 3.707 -9.280 1.00 0.00 N ATOM 914 CA VAL A 58 3.148 4.934 -9.189 1.00 0.00 C ATOM 915 C VAL A 58 3.459 5.451 -10.582 1.00 0.00 C ATOM 916 O VAL A 58 3.333 6.643 -10.861 1.00 0.00 O ATOM 917 CB VAL A 58 4.472 4.727 -8.424 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.130 6.061 -8.117 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.242 3.950 -7.144 1.00 0.00 C ATOM 0 H VAL A 58 2.721 3.034 -9.960 1.00 0.00 H new ATOM 0 HA VAL A 58 2.548 5.658 -8.637 1.00 0.00 H new ATOM 0 HB VAL A 58 5.140 4.148 -9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.062 5.891 -7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.341 6.586 -9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.460 6.664 -7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.190 3.817 -6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.551 4.499 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.819 2.974 -7.382 1.00 0.00 H new ATOM 929 N GLY A 59 3.848 4.532 -11.463 1.00 0.00 N ATOM 930 CA GLY A 59 4.156 4.884 -12.836 1.00 0.00 C ATOM 931 C GLY A 59 5.415 5.710 -12.986 1.00 0.00 C ATOM 932 O GLY A 59 6.195 5.509 -13.916 1.00 0.00 O ATOM 0 H GLY A 59 3.956 3.541 -11.246 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.260 3.970 -13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.317 5.438 -13.256 1.00 0.00 H new ATOM 936 N ILE A 60 5.606 6.636 -12.073 1.00 0.00 N ATOM 937 CA ILE A 60 6.766 7.505 -12.089 1.00 0.00 C ATOM 938 C ILE A 60 7.994 6.772 -11.572 1.00 0.00 C ATOM 939 O ILE A 60 7.946 5.572 -11.304 1.00 0.00 O ATOM 940 CB ILE A 60 6.558 8.776 -11.232 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.541 8.564 -10.111 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.153 9.952 -12.102 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.898 9.310 -8.843 1.00 0.00 C ATOM 0 H ILE A 60 4.964 6.809 -11.299 1.00 0.00 H new ATOM 0 HA ILE A 60 6.912 7.803 -13.127 1.00 0.00 H new ATOM 0 HB ILE A 60 7.515 8.999 -10.760 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.558 8.888 -10.453 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.467 7.499 -9.891 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.012 10.835 -11.478 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.934 10.148 -12.836 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.221 9.719 -12.617 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.139 9.121 -8.084 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.867 8.968 -8.480 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.945 10.379 -9.051 1.00 0.00 H new ATOM 955 N THR A 61 9.093 7.505 -11.437 1.00 0.00 N ATOM 956 CA THR A 61 10.331 6.946 -10.953 1.00 0.00 C ATOM 957 C THR A 61 10.656 7.521 -9.581 1.00 0.00 C ATOM 958 O THR A 61 11.308 8.559 -9.474 1.00 0.00 O ATOM 959 CB THR A 61 11.430 7.307 -11.934 1.00 0.00 C ATOM 960 OG1 THR A 61 11.166 8.561 -12.538 1.00 0.00 O ATOM 961 CG2 THR A 61 11.594 6.294 -13.042 1.00 0.00 C ATOM 0 H THR A 61 9.142 8.499 -11.661 1.00 0.00 H new ATOM 0 HA THR A 61 10.245 5.863 -10.865 1.00 0.00 H new ATOM 0 HB THR A 61 12.348 7.334 -11.347 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.885 8.779 -13.167 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.396 6.611 -13.709 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.841 5.323 -12.613 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.664 6.216 -13.604 1.00 0.00 H new ATOM 969 N PRO A 62 10.164 6.886 -8.509 1.00 0.00 N ATOM 970 CA PRO A 62 10.349 7.357 -7.155 1.00 0.00 C ATOM 971 C PRO A 62 11.289 6.506 -6.322 1.00 0.00 C ATOM 972 O PRO A 62 11.354 5.289 -6.495 1.00 0.00 O ATOM 973 CB PRO A 62 8.933 7.169 -6.638 1.00 0.00 C ATOM 974 CG PRO A 62 8.523 5.850 -7.217 1.00 0.00 C ATOM 975 CD PRO A 62 9.309 5.688 -8.503 1.00 0.00 C ATOM 0 HA PRO A 62 10.784 8.355 -7.108 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.902 7.156 -5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.275 7.974 -6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.739 5.037 -6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.451 5.827 -7.411 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.897 4.770 -8.506 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.656 5.651 -9.375 1.00 0.00 H new ATOM 983 N GLN A 63 11.961 7.134 -5.361 1.00 0.00 N ATOM 984 CA GLN A 63 12.813 6.385 -4.463 1.00 0.00 C ATOM 985 C GLN A 63 11.882 5.666 -3.506 1.00 0.00 C ATOM 986 O GLN A 63 11.632 6.119 -2.389 1.00 0.00 O ATOM 987 CB GLN A 63 13.758 7.317 -3.701 1.00 0.00 C ATOM 988 CG GLN A 63 14.838 7.933 -4.574 1.00 0.00 C ATOM 989 CD GLN A 63 15.647 8.987 -3.843 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.769 10.162 -4.447 1.00 0.00 O flip ATOM 991 NE2 GLN A 63 16.157 8.746 -2.748 1.00 0.00 N flip ATOM 0 H GLN A 63 11.930 8.139 -5.191 1.00 0.00 H new ATOM 0 HA GLN A 63 13.443 5.683 -5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.175 8.115 -3.241 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.230 6.760 -2.892 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.506 7.148 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.377 8.380 -5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.037 7.828 -2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.699 9.465 -2.269 1.00 0.00 H new ATOM 1000 N HIS A 64 11.329 4.569 -3.992 1.00 0.00 N ATOM 1001 CA HIS A 64 10.361 3.790 -3.244 1.00 0.00 C ATOM 1002 C HIS A 64 10.813 2.345 -3.140 1.00 0.00 C ATOM 1003 O HIS A 64 11.150 1.717 -4.144 1.00 0.00 O ATOM 1004 CB HIS A 64 9.014 3.907 -3.970 1.00 0.00 C ATOM 1005 CG HIS A 64 7.940 2.947 -3.539 1.00 0.00 C ATOM 1006 ND1 HIS A 64 7.948 1.907 -2.669 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.656 3.004 -4.044 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 6.685 1.367 -2.668 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.926 2.046 -3.505 1.00 0.00 N flip ATOM 0 H HIS A 64 11.539 4.194 -4.917 1.00 0.00 H new ATOM 0 HA HIS A 64 10.264 4.165 -2.225 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.640 4.922 -3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.187 3.770 -5.037 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.303 3.723 -4.769 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.365 0.522 -2.076 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.942 1.862 -3.702 1.00 0.00 H new ATOM 1018 N PHE A 65 10.827 1.822 -1.919 1.00 0.00 N ATOM 1019 CA PHE A 65 11.250 0.456 -1.689 1.00 0.00 C ATOM 1020 C PHE A 65 11.228 0.120 -0.201 1.00 0.00 C ATOM 1021 O PHE A 65 10.784 0.915 0.618 1.00 0.00 O ATOM 1022 CB PHE A 65 12.661 0.285 -2.216 1.00 0.00 C ATOM 1023 CG PHE A 65 12.930 -1.069 -2.812 1.00 0.00 C ATOM 1024 CD1 PHE A 65 12.009 -1.656 -3.666 1.00 0.00 C ATOM 1025 CD2 PHE A 65 14.101 -1.752 -2.524 1.00 0.00 C ATOM 1026 CE1 PHE A 65 12.251 -2.898 -4.221 1.00 0.00 C ATOM 1027 CE2 PHE A 65 14.348 -2.996 -3.075 1.00 0.00 C ATOM 1028 CZ PHE A 65 13.420 -3.569 -3.926 1.00 0.00 C ATOM 0 H PHE A 65 10.550 2.327 -1.077 1.00 0.00 H new ATOM 0 HA PHE A 65 10.563 -0.215 -2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.851 1.048 -2.971 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.366 0.459 -1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 65 11.092 -1.136 -3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.829 -1.308 -1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.525 -3.343 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 65 15.264 -3.519 -2.841 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.610 -4.540 -4.359 1.00 0.00 H new ATOM 1038 N SER A 66 11.724 -1.065 0.134 1.00 0.00 N ATOM 1039 CA SER A 66 11.785 -1.522 1.516 1.00 0.00 C ATOM 1040 C SER A 66 10.398 -1.844 2.037 1.00 0.00 C ATOM 1041 O SER A 66 9.402 -1.376 1.490 1.00 0.00 O ATOM 1042 CB SER A 66 12.447 -0.464 2.404 1.00 0.00 C ATOM 1043 OG SER A 66 13.248 -1.068 3.404 1.00 0.00 O ATOM 0 H SER A 66 12.094 -1.733 -0.542 1.00 0.00 H new ATOM 0 HA SER A 66 12.387 -2.431 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.061 0.197 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.681 0.154 2.871 1.00 0.00 H new ATOM 0 HG SER A 66 13.661 -0.372 3.957 1.00 0.00 H new ATOM 1049 N LEU A 67 10.337 -2.650 3.089 1.00 0.00 N ATOM 1050 CA LEU A 67 9.063 -3.038 3.677 1.00 0.00 C ATOM 1051 C LEU A 67 9.008 -2.672 5.151 1.00 0.00 C ATOM 1052 O LEU A 67 9.831 -3.131 5.943 1.00 0.00 O ATOM 1053 CB LEU A 67 8.831 -4.540 3.502 1.00 0.00 C ATOM 1054 CG LEU A 67 9.724 -5.438 4.360 1.00 0.00 C ATOM 1055 CD1 LEU A 67 9.042 -5.766 5.678 1.00 0.00 C ATOM 1056 CD2 LEU A 67 10.076 -6.714 3.606 1.00 0.00 C ATOM 0 H LEU A 67 11.155 -3.047 3.552 1.00 0.00 H new ATOM 0 HA LEU A 67 8.274 -2.493 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.789 -4.761 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.985 -4.796 2.454 1.00 0.00 H new ATOM 0 HG LEU A 67 10.647 -4.901 4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.692 -6.406 6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.841 -4.844 6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.103 -6.284 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.712 -7.342 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.162 -7.255 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.606 -6.460 2.688 1.00 0.00 H new ATOM 1068 N PHE A 68 8.039 -1.839 5.521 1.00 0.00 N ATOM 1069 CA PHE A 68 7.898 -1.419 6.905 1.00 0.00 C ATOM 1070 C PHE A 68 7.296 -2.557 7.729 1.00 0.00 C ATOM 1071 O PHE A 68 7.616 -2.727 8.906 1.00 0.00 O ATOM 1072 CB PHE A 68 7.027 -0.149 6.986 1.00 0.00 C ATOM 1073 CG PHE A 68 5.798 -0.267 7.854 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.761 -1.114 7.499 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.681 0.476 9.017 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.632 -1.223 8.288 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.552 0.375 9.811 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.527 -0.476 9.446 1.00 0.00 C ATOM 0 H PHE A 68 7.346 -1.446 4.884 1.00 0.00 H new ATOM 0 HA PHE A 68 8.879 -1.180 7.316 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.641 0.670 7.362 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.715 0.123 5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.836 -1.697 6.593 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.480 1.142 9.308 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.833 -1.891 8.000 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.472 0.961 10.715 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.645 -0.557 10.064 1.00 0.00 H new ATOM 1088 N GLU A 69 6.429 -3.338 7.089 1.00 0.00 N ATOM 1089 CA GLU A 69 5.782 -4.470 7.741 1.00 0.00 C ATOM 1090 C GLU A 69 4.997 -5.305 6.732 1.00 0.00 C ATOM 1091 O GLU A 69 4.745 -4.866 5.613 1.00 0.00 O ATOM 1092 CB GLU A 69 4.850 -3.981 8.851 1.00 0.00 C ATOM 1093 CG GLU A 69 4.836 -4.883 10.076 1.00 0.00 C ATOM 1094 CD GLU A 69 4.376 -4.160 11.327 1.00 0.00 C ATOM 1095 OE1 GLU A 69 3.363 -3.434 11.254 1.00 0.00 O ATOM 1096 OE2 GLU A 69 5.031 -4.320 12.378 1.00 0.00 O ATOM 0 H GLU A 69 6.158 -3.205 6.115 1.00 0.00 H new ATOM 0 HA GLU A 69 6.559 -5.098 8.178 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.152 -2.978 9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.837 -3.903 8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.179 -5.733 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.837 -5.283 10.239 1.00 0.00 H new ATOM 1103 N LYS A 70 4.593 -6.502 7.139 1.00 0.00 N ATOM 1104 CA LYS A 70 3.809 -7.384 6.282 1.00 0.00 C ATOM 1105 C LYS A 70 2.805 -8.152 7.141 1.00 0.00 C ATOM 1106 O LYS A 70 3.191 -8.790 8.120 1.00 0.00 O ATOM 1107 CB LYS A 70 4.716 -8.353 5.516 1.00 0.00 C ATOM 1108 CG LYS A 70 5.551 -9.260 6.409 1.00 0.00 C ATOM 1109 CD LYS A 70 6.820 -8.571 6.880 1.00 0.00 C ATOM 1110 CE LYS A 70 7.659 -9.490 7.756 1.00 0.00 C ATOM 1111 NZ LYS A 70 7.004 -9.760 9.066 1.00 0.00 N ATOM 0 H LYS A 70 4.796 -6.886 8.062 1.00 0.00 H new ATOM 0 HA LYS A 70 3.274 -6.784 5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.100 -8.971 4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.384 -7.778 4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.960 -9.564 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.810 -10.168 5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.406 -8.254 6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.561 -7.671 7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.830 -10.432 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.636 -9.038 7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.663 -10.275 9.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.741 -8.859 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.150 -10.334 8.915 1.00 0.00 H new ATOM 1125 N LEU A 71 1.516 -8.062 6.819 1.00 0.00 N ATOM 1126 CA LEU A 71 0.514 -8.722 7.618 1.00 0.00 C ATOM 1127 C LEU A 71 0.092 -10.084 7.064 1.00 0.00 C ATOM 1128 O LEU A 71 -0.470 -10.197 5.974 1.00 0.00 O ATOM 1129 CB LEU A 71 -0.684 -7.796 7.701 1.00 0.00 C ATOM 1130 CG LEU A 71 -1.937 -8.375 8.331 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -2.674 -9.279 7.354 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -1.609 -9.116 9.618 1.00 0.00 C ATOM 0 H LEU A 71 1.155 -7.543 6.019 1.00 0.00 H new ATOM 0 HA LEU A 71 0.937 -8.925 8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.394 -6.911 8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.930 -7.463 6.693 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.598 -7.545 8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.568 -9.680 7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.961 -8.705 6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.023 -10.101 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.525 -9.521 10.048 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.918 -9.931 9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.148 -8.428 10.327 1.00 0.00 H new ATOM 1144 N GLU A 72 0.381 -11.104 7.859 1.00 0.00 N ATOM 1145 CA GLU A 72 0.054 -12.467 7.504 1.00 0.00 C ATOM 1146 C GLU A 72 -0.972 -13.051 8.472 1.00 0.00 C ATOM 1147 O GLU A 72 -0.658 -13.363 9.621 1.00 0.00 O ATOM 1148 CB GLU A 72 1.325 -13.310 7.497 1.00 0.00 C ATOM 1149 CG GLU A 72 1.060 -14.769 7.227 1.00 0.00 C ATOM 1150 CD GLU A 72 2.317 -15.615 7.279 1.00 0.00 C ATOM 1151 OE1 GLU A 72 3.394 -15.103 6.907 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.224 -16.791 7.692 1.00 0.00 O ATOM 0 H GLU A 72 0.846 -11.006 8.762 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.387 -12.475 6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.007 -12.924 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.827 -13.209 8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.344 -15.145 7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.598 -14.874 6.246 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.203 -13.201 7.984 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.292 -13.755 8.780 1.00 0.00 C ATOM 1161 C TYR A 73 -4.215 -14.620 7.923 1.00 0.00 C ATOM 1162 O TYR A 73 -4.757 -14.150 6.924 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.094 -12.629 9.437 1.00 0.00 C ATOM 1164 CG TYR A 73 -4.715 -13.018 10.760 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -3.980 -13.707 11.717 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -6.034 -12.695 11.051 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -4.543 -14.065 12.927 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -6.604 -13.049 12.260 1.00 0.00 C ATOM 1169 CZ TYR A 73 -5.855 -13.734 13.194 1.00 0.00 C ATOM 1170 OH TYR A 73 -6.419 -14.087 14.398 1.00 0.00 O ATOM 0 H TYR A 73 -2.470 -12.944 7.034 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.855 -14.384 9.556 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.440 -11.771 9.591 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.882 -12.311 8.755 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.952 -13.967 11.512 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.624 -12.159 10.322 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.959 -14.601 13.660 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.631 -12.790 12.472 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.349 -13.778 14.427 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.415 -15.871 8.321 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.305 -16.763 7.579 1.00 0.00 C ATOM 1182 C GLU A 74 -6.428 -17.275 8.474 1.00 0.00 C ATOM 1183 O GLU A 74 -6.198 -18.056 9.397 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.538 -17.934 6.964 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.525 -18.569 7.902 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.359 -19.197 7.163 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -1.411 -18.462 6.818 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -2.396 -20.423 6.928 1.00 0.00 O ATOM 0 H GLU A 74 -3.980 -16.289 9.143 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.744 -16.185 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.251 -18.695 6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.022 -17.587 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.149 -17.812 8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.021 -19.330 8.505 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.642 -16.821 8.190 1.00 0.00 N ATOM 1196 CA PHE A 75 -8.816 -17.206 8.946 1.00 0.00 C ATOM 1197 C PHE A 75 -9.269 -18.620 8.573 1.00 0.00 C ATOM 1198 O PHE A 75 -8.866 -19.152 7.544 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.932 -16.200 8.679 1.00 0.00 C ATOM 1200 CG PHE A 75 -9.868 -14.976 9.548 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -9.152 -13.861 9.139 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -10.522 -14.937 10.769 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -9.090 -12.731 9.932 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -10.464 -13.809 11.566 1.00 0.00 C ATOM 1205 CZ PHE A 75 -9.746 -12.706 11.147 1.00 0.00 C ATOM 0 H PHE A 75 -7.836 -16.174 7.426 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.571 -17.208 10.008 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.890 -15.894 7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.894 -16.690 8.829 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.637 -13.876 8.190 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.083 -15.798 11.102 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.529 -11.869 9.602 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.979 -13.790 12.515 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.698 -11.825 11.769 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.118 -19.242 9.413 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.644 -20.592 9.181 1.00 0.00 C ATOM 1217 C PRO A 76 -11.197 -20.759 7.770 1.00 0.00 C ATOM 1218 O PRO A 76 -12.393 -20.594 7.535 1.00 0.00 O ATOM 1219 CB PRO A 76 -11.773 -20.728 10.218 1.00 0.00 C ATOM 1220 CG PRO A 76 -11.979 -19.351 10.756 1.00 0.00 C ATOM 1221 CD PRO A 76 -10.648 -18.675 10.646 1.00 0.00 C ATOM 0 HA PRO A 76 -9.868 -21.351 9.279 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.684 -21.112 9.760 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.498 -21.423 11.011 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.739 -18.817 10.186 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.320 -19.381 11.791 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.745 -17.591 10.587 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.009 -18.892 11.502 1.00 0.00 H new ATOM 1229 N ASP A 77 -10.298 -21.067 6.842 1.00 0.00 N ATOM 1230 CA ASP A 77 -10.637 -21.251 5.422 1.00 0.00 C ATOM 1231 C ASP A 77 -10.427 -19.949 4.658 1.00 0.00 C ATOM 1232 O ASP A 77 -11.083 -19.687 3.650 1.00 0.00 O ATOM 1233 CB ASP A 77 -12.079 -21.739 5.244 1.00 0.00 C ATOM 1234 CG ASP A 77 -12.251 -22.597 4.006 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -11.399 -23.479 3.774 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -13.238 -22.388 3.271 1.00 0.00 O ATOM 0 H ASP A 77 -9.307 -21.198 7.047 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.974 -22.017 5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.377 -22.311 6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.746 -20.879 5.182 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.504 -19.139 5.162 1.00 0.00 N ATOM 1242 CA ARG A 78 -9.179 -17.854 4.565 1.00 0.00 C ATOM 1243 C ARG A 78 -7.671 -17.637 4.551 1.00 0.00 C ATOM 1244 O ARG A 78 -6.953 -18.154 5.406 1.00 0.00 O ATOM 1245 CB ARG A 78 -9.867 -16.714 5.309 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.053 -15.471 4.452 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.487 -14.965 4.496 1.00 0.00 C ATOM 1248 NE ARG A 78 -11.632 -13.799 5.363 1.00 0.00 N ATOM 1249 CZ ARG A 78 -12.800 -13.225 5.644 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -13.925 -13.706 5.128 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -12.844 -12.167 6.441 1.00 0.00 N ATOM 0 H ARG A 78 -8.960 -19.357 5.997 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.543 -17.861 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.840 -17.054 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.280 -16.456 6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.380 -14.687 4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.778 -15.695 3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.812 -14.709 3.487 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.142 -15.762 4.849 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.789 -13.401 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.897 -14.519 4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.817 -13.262 5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.983 -11.792 6.839 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.739 -11.727 6.656 1.00 0.00 H new ATOM 1265 N HIS A 79 -7.205 -16.846 3.597 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.793 -16.526 3.488 1.00 0.00 C ATOM 1267 C HIS A 79 -5.628 -15.106 2.959 1.00 0.00 C ATOM 1268 O HIS A 79 -5.885 -14.846 1.785 1.00 0.00 O ATOM 1269 CB HIS A 79 -5.083 -17.526 2.575 1.00 0.00 C ATOM 1270 CG HIS A 79 -3.976 -18.272 3.252 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -2.690 -17.784 3.351 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -3.967 -19.478 3.869 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -1.938 -18.658 3.997 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -2.690 -19.693 4.322 1.00 0.00 N ATOM 0 H HIS A 79 -7.790 -16.412 2.883 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.338 -16.591 4.476 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.813 -18.241 2.195 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.679 -16.995 1.713 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.808 -20.146 3.983 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.888 -18.545 4.221 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -2.373 -20.520 4.828 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.188 -14.190 3.814 1.00 0.00 N ATOM 1284 CA ILE A 80 -4.980 -12.816 3.411 1.00 0.00 C ATOM 1285 C ILE A 80 -3.547 -12.414 3.728 1.00 0.00 C ATOM 1286 O ILE A 80 -3.035 -12.721 4.804 1.00 0.00 O ATOM 1287 CB ILE A 80 -5.956 -11.863 4.130 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.610 -10.417 3.807 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -5.918 -12.092 5.632 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.814 -9.507 3.703 1.00 0.00 C ATOM 0 H ILE A 80 -4.970 -14.381 4.792 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.165 -12.740 2.340 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.966 -12.070 3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.942 -10.033 4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.061 -10.387 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.613 -11.410 6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.204 -13.121 5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.909 -11.909 6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.485 -8.494 3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.473 -9.865 2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.352 -9.506 4.651 1.00 0.00 H new ATOM 1302 N THR A 81 -2.895 -11.737 2.794 1.00 0.00 N ATOM 1303 CA THR A 81 -1.523 -11.317 2.994 1.00 0.00 C ATOM 1304 C THR A 81 -1.331 -9.869 2.556 1.00 0.00 C ATOM 1305 O THR A 81 -1.510 -9.542 1.385 1.00 0.00 O ATOM 1306 CB THR A 81 -0.600 -12.230 2.189 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.354 -13.106 1.369 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.306 -13.082 3.042 1.00 0.00 C ATOM 0 H THR A 81 -3.295 -11.469 1.895 1.00 0.00 H new ATOM 0 HA THR A 81 -1.281 -11.386 4.055 1.00 0.00 H new ATOM 0 HB THR A 81 0.017 -11.555 1.596 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.860 -13.943 1.244 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.931 -13.703 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.939 -12.440 3.654 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.297 -13.720 3.689 1.00 0.00 H new ATOM 1316 N LEU A 82 -0.957 -9.008 3.490 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.734 -7.604 3.171 1.00 0.00 C ATOM 1318 C LEU A 82 0.731 -7.240 3.362 1.00 0.00 C ATOM 1319 O LEU A 82 1.244 -7.262 4.477 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.614 -6.699 4.037 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.077 -7.126 4.148 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -3.614 -6.827 5.538 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.915 -6.422 3.091 1.00 0.00 C ATOM 0 H LEU A 82 -0.802 -9.253 4.468 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.004 -7.451 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.188 -6.656 5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.577 -5.688 3.632 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.138 -8.201 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.657 -7.137 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.029 -7.372 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.542 -5.757 5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.955 -6.736 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.848 -5.343 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.543 -6.682 2.100 1.00 0.00 H new ATOM 1335 N TRP A 83 1.403 -6.896 2.272 1.00 0.00 N ATOM 1336 CA TRP A 83 2.808 -6.522 2.339 1.00 0.00 C ATOM 1337 C TRP A 83 2.947 -5.005 2.339 1.00 0.00 C ATOM 1338 O TRP A 83 2.487 -4.335 1.417 1.00 0.00 O ATOM 1339 CB TRP A 83 3.582 -7.113 1.156 1.00 0.00 C ATOM 1340 CG TRP A 83 3.226 -8.537 0.841 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.507 -9.403 1.615 1.00 0.00 C ATOM 1342 CD2 TRP A 83 3.579 -9.262 -0.345 1.00 0.00 C ATOM 1343 NE1 TRP A 83 2.396 -10.620 0.987 1.00 0.00 N ATOM 1344 CE2 TRP A 83 3.043 -10.558 -0.217 1.00 0.00 C ATOM 1345 CE3 TRP A 83 4.295 -8.941 -1.500 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 3.203 -11.530 -1.202 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 4.451 -9.907 -2.477 1.00 0.00 C ATOM 1348 CH2 TRP A 83 3.907 -11.187 -2.323 1.00 0.00 C ATOM 0 H TRP A 83 1.000 -6.868 1.335 1.00 0.00 H new ATOM 0 HA TRP A 83 3.225 -6.921 3.264 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.399 -6.500 0.273 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.649 -7.055 1.369 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.087 -9.165 2.581 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.910 -11.437 1.358 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.719 -7.956 -1.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.786 -12.519 -1.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 5.002 -9.669 -3.375 1.00 0.00 H new ATOM 0 HH2 TRP A 83 4.046 -11.919 -3.105 1.00 0.00 H new ATOM 1359 N PHE A 84 3.591 -4.463 3.368 1.00 0.00 N ATOM 1360 CA PHE A 84 3.784 -3.022 3.454 1.00 0.00 C ATOM 1361 C PHE A 84 5.226 -2.662 3.091 1.00 0.00 C ATOM 1362 O PHE A 84 6.170 -3.151 3.711 1.00 0.00 O ATOM 1363 CB PHE A 84 3.425 -2.490 4.852 1.00 0.00 C ATOM 1364 CG PHE A 84 1.945 -2.491 5.156 1.00 0.00 C ATOM 1365 CD1 PHE A 84 1.153 -3.577 4.815 1.00 0.00 C ATOM 1366 CD2 PHE A 84 1.344 -1.405 5.789 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.202 -3.582 5.094 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.010 -1.410 6.068 1.00 0.00 C ATOM 1369 CZ PHE A 84 -0.783 -2.498 5.720 1.00 0.00 C ATOM 0 H PHE A 84 3.984 -4.994 4.145 1.00 0.00 H new ATOM 0 HA PHE A 84 3.112 -2.546 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.938 -3.094 5.601 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.803 -1.472 4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.600 -4.430 4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.943 -0.550 6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.806 -4.435 4.822 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.463 -0.561 6.559 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.841 -2.502 5.937 1.00 0.00 H new ATOM 1379 N TRP A 85 5.388 -1.802 2.086 1.00 0.00 N ATOM 1380 CA TRP A 85 6.716 -1.376 1.644 1.00 0.00 C ATOM 1381 C TRP A 85 6.989 0.060 2.083 1.00 0.00 C ATOM 1382 O TRP A 85 6.192 0.955 1.799 1.00 0.00 O ATOM 1383 CB TRP A 85 6.834 -1.501 0.126 1.00 0.00 C ATOM 1384 CG TRP A 85 6.628 -2.903 -0.356 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.445 -3.478 -0.719 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.633 -3.911 -0.518 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.652 -4.783 -1.097 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.986 -5.072 -0.982 1.00 0.00 C ATOM 1389 CE3 TRP A 85 9.016 -3.946 -0.315 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.676 -6.254 -1.247 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.699 -5.119 -0.578 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.029 -6.258 -1.040 1.00 0.00 C ATOM 0 H TRP A 85 4.617 -1.387 1.563 1.00 0.00 H new ATOM 0 HA TRP A 85 7.460 -2.025 2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 85 6.101 -0.847 -0.346 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.819 -1.154 -0.188 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.486 -2.980 -0.711 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.930 -5.431 -1.412 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.541 -3.072 0.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.162 -7.135 -1.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.767 -5.157 -0.424 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.591 -7.159 -1.237 1.00 0.00 H new ATOM 1403 N LEU A 86 8.084 0.281 2.818 1.00 0.00 N ATOM 1404 CA LEU A 86 8.360 1.627 3.309 1.00 0.00 C ATOM 1405 C LEU A 86 9.030 2.515 2.254 1.00 0.00 C ATOM 1406 O LEU A 86 10.244 2.480 2.063 1.00 0.00 O ATOM 1407 CB LEU A 86 9.255 1.549 4.546 1.00 0.00 C ATOM 1408 CG LEU A 86 9.327 2.833 5.374 1.00 0.00 C ATOM 1409 CD1 LEU A 86 7.932 3.294 5.764 1.00 0.00 C ATOM 1410 CD2 LEU A 86 10.184 2.620 6.612 1.00 0.00 C ATOM 0 H LEU A 86 8.769 -0.429 3.077 1.00 0.00 H new ATOM 0 HA LEU A 86 7.401 2.081 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.896 0.742 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.263 1.281 4.230 1.00 0.00 H new ATOM 0 HG LEU A 86 9.788 3.611 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.002 4.209 6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.347 3.486 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.445 2.519 6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.225 3.543 7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.750 1.828 7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.192 2.335 6.312 1.00 0.00 H new ATOM 1422 N VAL A 87 8.204 3.312 1.587 1.00 0.00 N ATOM 1423 CA VAL A 87 8.643 4.234 0.533 1.00 0.00 C ATOM 1424 C VAL A 87 9.356 5.438 1.095 1.00 0.00 C ATOM 1425 O VAL A 87 9.042 5.897 2.193 1.00 0.00 O ATOM 1426 CB VAL A 87 7.466 4.727 -0.300 1.00 0.00 C ATOM 1427 CG1 VAL A 87 7.943 5.460 -1.544 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.566 3.558 -0.657 1.00 0.00 C ATOM 0 H VAL A 87 7.199 3.341 1.760 1.00 0.00 H new ATOM 0 HA VAL A 87 9.331 3.666 -0.093 1.00 0.00 H new ATOM 0 HB VAL A 87 6.891 5.440 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.082 5.800 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.546 6.319 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.544 4.787 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.726 3.914 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.132 2.825 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.193 3.094 0.256 1.00 0.00 H new ATOM 1438 N GLU A 88 10.338 5.936 0.353 1.00 0.00 N ATOM 1439 CA GLU A 88 11.094 7.081 0.828 1.00 0.00 C ATOM 1440 C GLU A 88 10.916 8.363 -0.005 1.00 0.00 C ATOM 1441 O GLU A 88 10.967 9.457 0.557 1.00 0.00 O ATOM 1442 CB GLU A 88 12.581 6.734 0.927 1.00 0.00 C ATOM 1443 CG GLU A 88 12.851 5.284 1.296 1.00 0.00 C ATOM 1444 CD GLU A 88 14.127 5.113 2.096 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.191 5.560 1.618 1.00 0.00 O ATOM 1446 OE2 GLU A 88 14.064 4.531 3.199 1.00 0.00 O ATOM 0 H GLU A 88 10.622 5.574 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 88 10.683 7.305 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.059 6.951 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.046 7.381 1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.011 4.897 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.915 4.687 0.386 1.00 0.00 H new ATOM 1453 N ARG A 89 10.745 8.264 -1.326 1.00 0.00 N ATOM 1454 CA ARG A 89 10.611 9.479 -2.139 1.00 0.00 C ATOM 1455 C ARG A 89 10.022 9.190 -3.521 1.00 0.00 C ATOM 1456 O ARG A 89 9.982 8.043 -3.960 1.00 0.00 O ATOM 1457 CB ARG A 89 11.988 10.173 -2.238 1.00 0.00 C ATOM 1458 CG ARG A 89 12.397 10.655 -3.630 1.00 0.00 C ATOM 1459 CD ARG A 89 12.089 12.132 -3.823 1.00 0.00 C ATOM 1460 NE ARG A 89 12.160 12.527 -5.228 1.00 0.00 N ATOM 1461 CZ ARG A 89 13.301 12.716 -5.888 1.00 0.00 C ATOM 1462 NH1 ARG A 89 14.467 12.547 -5.277 1.00 0.00 N ATOM 1463 NH2 ARG A 89 13.276 13.076 -7.164 1.00 0.00 N ATOM 0 H ARG A 89 10.697 7.386 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 89 9.905 10.150 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.990 11.029 -1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.748 9.481 -1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.463 10.483 -3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.873 10.071 -4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.093 12.348 -3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.793 12.728 -3.243 1.00 0.00 H new ATOM 0 HE ARG A 89 11.285 12.666 -5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 89 14.493 12.271 -4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.337 12.694 -5.789 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.383 13.208 -7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.150 13.221 -7.670 1.00 0.00 H new ATOM 1477 N TRP A 90 9.587 10.253 -4.209 1.00 0.00 N ATOM 1478 CA TRP A 90 9.025 10.121 -5.550 1.00 0.00 C ATOM 1479 C TRP A 90 9.288 11.367 -6.395 1.00 0.00 C ATOM 1480 O TRP A 90 9.005 12.486 -5.970 1.00 0.00 O ATOM 1481 CB TRP A 90 7.522 9.829 -5.484 1.00 0.00 C ATOM 1482 CG TRP A 90 6.656 11.045 -5.345 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.297 11.918 -6.330 1.00 0.00 C ATOM 1484 CD2 TRP A 90 6.026 11.504 -4.151 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.474 12.893 -5.816 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.293 12.657 -4.478 1.00 0.00 C ATOM 1487 CE3 TRP A 90 6.012 11.046 -2.837 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.549 13.358 -3.533 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.274 11.738 -1.897 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.548 12.881 -2.248 1.00 0.00 C ATOM 0 H TRP A 90 9.615 11.210 -3.856 1.00 0.00 H new ATOM 0 HA TRP A 90 9.524 9.279 -6.031 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.230 9.292 -6.386 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.331 9.165 -4.641 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.612 11.853 -7.361 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.066 13.665 -6.344 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.569 10.164 -2.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.994 14.244 -3.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.257 11.391 -0.874 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.976 13.398 -1.492 1.00 0.00 H new ATOM 1501 N GLU A 91 9.828 11.165 -7.601 1.00 0.00 N ATOM 1502 CA GLU A 91 10.116 12.279 -8.497 1.00 0.00 C ATOM 1503 C GLU A 91 8.873 12.669 -9.292 1.00 0.00 C ATOM 1504 O GLU A 91 8.168 11.810 -9.822 1.00 0.00 O ATOM 1505 CB GLU A 91 11.263 11.920 -9.448 1.00 0.00 C ATOM 1506 CG GLU A 91 10.861 10.981 -10.576 1.00 0.00 C ATOM 1507 CD GLU A 91 10.342 11.722 -11.793 1.00 0.00 C ATOM 1508 OE1 GLU A 91 11.107 12.521 -12.373 1.00 0.00 O ATOM 1509 OE2 GLU A 91 9.170 11.505 -12.165 1.00 0.00 O ATOM 0 H GLU A 91 10.071 10.247 -7.973 1.00 0.00 H new ATOM 0 HA GLU A 91 10.419 13.133 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.665 12.837 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.066 11.459 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.720 10.375 -10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.093 10.296 -10.217 1.00 0.00 H new ATOM 1516 N GLY A 92 8.608 13.969 -9.372 1.00 0.00 N ATOM 1517 CA GLY A 92 7.447 14.445 -10.103 1.00 0.00 C ATOM 1518 C GLY A 92 6.153 14.214 -9.348 1.00 0.00 C ATOM 1519 O GLY A 92 5.967 14.736 -8.248 1.00 0.00 O ATOM 0 H GLY A 92 9.175 14.701 -8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.561 15.510 -10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.397 13.940 -11.068 1.00 0.00 H new ATOM 1523 N GLU A 93 5.257 13.429 -9.938 1.00 0.00 N ATOM 1524 CA GLU A 93 3.975 13.131 -9.312 1.00 0.00 C ATOM 1525 C GLU A 93 3.650 11.641 -9.421 1.00 0.00 C ATOM 1526 O GLU A 93 3.885 11.024 -10.460 1.00 0.00 O ATOM 1527 CB GLU A 93 2.863 13.956 -9.963 1.00 0.00 C ATOM 1528 CG GLU A 93 3.205 15.429 -10.111 1.00 0.00 C ATOM 1529 CD GLU A 93 2.419 16.103 -11.218 1.00 0.00 C ATOM 1530 OE1 GLU A 93 2.041 15.409 -12.185 1.00 0.00 O ATOM 1531 OE2 GLU A 93 2.181 17.325 -11.118 1.00 0.00 O ATOM 0 H GLU A 93 5.395 12.989 -10.848 1.00 0.00 H new ATOM 0 HA GLU A 93 4.043 13.394 -8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.644 13.542 -10.947 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.955 13.861 -9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.009 15.940 -9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.271 15.532 -10.313 1.00 0.00 H new ATOM 1538 N PRO A 94 3.091 11.040 -8.352 1.00 0.00 N ATOM 1539 CA PRO A 94 2.723 9.625 -8.337 1.00 0.00 C ATOM 1540 C PRO A 94 1.443 9.381 -9.117 1.00 0.00 C ATOM 1541 O PRO A 94 0.448 10.077 -8.912 1.00 0.00 O ATOM 1542 CB PRO A 94 2.509 9.313 -6.844 1.00 0.00 C ATOM 1543 CG PRO A 94 2.890 10.556 -6.105 1.00 0.00 C ATOM 1544 CD PRO A 94 2.750 11.684 -7.082 1.00 0.00 C ATOM 0 HA PRO A 94 3.483 8.996 -8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.471 9.044 -6.646 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.123 8.469 -6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.244 10.708 -5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.912 10.489 -5.732 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.739 12.091 -7.091 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.424 12.509 -6.850 1.00 0.00 H new ATOM 1552 N TRP A 95 1.457 8.403 -10.016 1.00 0.00 N ATOM 1553 CA TRP A 95 0.270 8.118 -10.805 1.00 0.00 C ATOM 1554 C TRP A 95 -0.012 6.626 -10.929 1.00 0.00 C ATOM 1555 O TRP A 95 -1.044 6.140 -10.466 1.00 0.00 O ATOM 1556 CB TRP A 95 0.379 8.740 -12.203 1.00 0.00 C ATOM 1557 CG TRP A 95 1.665 8.447 -12.936 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.823 9.167 -12.876 1.00 0.00 C ATOM 1559 CD2 TRP A 95 1.916 7.370 -13.855 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.771 8.619 -13.711 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.237 7.518 -14.323 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.153 6.299 -14.328 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.804 6.640 -15.246 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.718 5.427 -15.239 1.00 0.00 C ATOM 1565 CH2 TRP A 95 3.031 5.604 -15.693 1.00 0.00 C ATOM 0 H TRP A 95 2.261 7.806 -10.213 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.566 8.568 -10.270 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.455 8.384 -12.808 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.269 9.821 -12.112 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.974 10.042 -12.261 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.716 8.976 -13.850 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.138 6.155 -13.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.817 6.773 -15.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.137 4.594 -15.607 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.441 4.909 -16.410 1.00 0.00 H new ATOM 1576 N GLY A 96 0.896 5.911 -11.572 1.00 0.00 N ATOM 1577 CA GLY A 96 0.717 4.482 -11.768 1.00 0.00 C ATOM 1578 C GLY A 96 -0.668 4.133 -12.286 1.00 0.00 C ATOM 1579 O GLY A 96 -0.948 4.275 -13.476 1.00 0.00 O ATOM 0 H GLY A 96 1.757 6.292 -11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.466 4.119 -12.471 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.889 3.965 -10.824 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.532 3.675 -11.383 1.00 0.00 N ATOM 1584 CA LYS A 97 -2.896 3.298 -11.741 1.00 0.00 C ATOM 1585 C LYS A 97 -3.660 2.800 -10.515 1.00 0.00 C ATOM 1586 O LYS A 97 -4.504 1.910 -10.618 1.00 0.00 O ATOM 1587 CB LYS A 97 -2.887 2.214 -12.824 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.250 1.954 -13.451 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.931 3.244 -13.885 1.00 0.00 C ATOM 1590 CE LYS A 97 -4.076 4.025 -14.872 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.838 4.392 -16.097 1.00 0.00 N ATOM 0 H LYS A 97 -1.310 3.556 -10.395 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.399 4.183 -12.130 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.187 2.504 -13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.514 1.286 -12.391 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.134 1.297 -14.313 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.885 1.431 -12.736 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.894 3.012 -14.341 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.133 3.862 -13.010 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.702 4.930 -14.392 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.207 3.429 -15.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.220 4.923 -16.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.173 3.528 -16.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.653 4.982 -15.835 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.363 3.381 -9.356 1.00 0.00 N ATOM 1606 CA GLU A 98 -4.027 2.996 -8.115 1.00 0.00 C ATOM 1607 C GLU A 98 -5.531 3.239 -8.217 1.00 0.00 C ATOM 1608 O GLU A 98 -6.327 2.534 -7.598 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.435 3.773 -6.938 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.523 5.282 -7.099 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.016 6.028 -5.881 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.290 5.416 -5.070 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -3.344 7.225 -5.739 1.00 0.00 O ATOM 0 H GLU A 98 -2.667 4.120 -9.251 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.864 1.932 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.953 3.483 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.390 3.489 -6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.946 5.585 -7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.559 5.564 -7.288 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.912 4.231 -9.019 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.318 4.537 -9.207 1.00 0.00 C ATOM 1622 C GLY A 99 -7.842 5.590 -8.248 1.00 0.00 C ATOM 1623 O GLY A 99 -8.835 6.256 -8.538 1.00 0.00 O ATOM 0 H GLY A 99 -5.271 4.828 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.474 4.879 -10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.900 3.624 -9.084 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.187 5.738 -7.101 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.618 6.713 -6.105 1.00 0.00 C ATOM 1629 C GLN A 100 -6.606 7.839 -5.940 1.00 0.00 C ATOM 1630 O GLN A 100 -5.686 7.752 -5.126 1.00 0.00 O ATOM 1631 CB GLN A 100 -7.856 6.024 -4.759 1.00 0.00 C ATOM 1632 CG GLN A 100 -9.074 5.112 -4.746 1.00 0.00 C ATOM 1633 CD GLN A 100 -9.002 4.021 -5.795 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -9.683 4.083 -6.819 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -8.172 3.013 -5.547 1.00 0.00 N ATOM 0 H GLN A 100 -6.361 5.199 -6.839 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.551 7.152 -6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.973 5.440 -4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.974 6.785 -3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.170 4.656 -3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.971 5.709 -4.910 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.626 3.002 -4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.081 2.251 -6.218 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.781 8.926 -6.705 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.900 10.096 -6.640 1.00 0.00 C ATOM 1646 C PRO A 101 -5.650 10.548 -5.202 1.00 0.00 C ATOM 1647 O PRO A 101 -6.578 10.618 -4.396 1.00 0.00 O ATOM 1648 CB PRO A 101 -6.705 11.152 -7.392 1.00 0.00 C ATOM 1649 CG PRO A 101 -7.481 10.376 -8.393 1.00 0.00 C ATOM 1650 CD PRO A 101 -7.865 9.107 -7.692 1.00 0.00 C ATOM 0 HA PRO A 101 -4.911 9.901 -7.054 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.362 11.705 -6.720 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.053 11.882 -7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.362 10.927 -8.722 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.884 10.170 -9.281 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.839 9.192 -7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.924 8.267 -8.384 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.395 10.849 -4.881 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.064 11.282 -3.534 1.00 0.00 C ATOM 1660 C GLY A 102 -3.151 12.495 -3.504 1.00 0.00 C ATOM 1661 O GLY A 102 -2.714 12.982 -4.547 1.00 0.00 O ATOM 0 H GLY A 102 -3.605 10.801 -5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.984 11.514 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.584 10.460 -3.003 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.861 12.975 -2.296 1.00 0.00 N ATOM 1666 CA GLU A 103 -1.989 14.132 -2.109 1.00 0.00 C ATOM 1667 C GLU A 103 -1.052 13.903 -0.925 1.00 0.00 C ATOM 1668 O GLU A 103 -1.362 13.122 -0.028 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.820 15.395 -1.883 1.00 0.00 C ATOM 1670 CG GLU A 103 -3.974 15.548 -2.862 1.00 0.00 C ATOM 1671 CD GLU A 103 -5.033 16.514 -2.368 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -4.674 17.473 -1.652 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -6.220 16.313 -2.698 1.00 0.00 O ATOM 0 H GLU A 103 -3.220 12.577 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.391 14.263 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.215 15.383 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.170 16.266 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.589 15.896 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.429 14.573 -3.036 1.00 0.00 H new ATOM 1680 N TRP A 104 0.092 14.584 -0.928 1.00 0.00 N ATOM 1681 CA TRP A 104 1.073 14.435 0.154 1.00 0.00 C ATOM 1682 C TRP A 104 0.446 14.784 1.500 1.00 0.00 C ATOM 1683 O TRP A 104 0.185 15.951 1.793 1.00 0.00 O ATOM 1684 CB TRP A 104 2.322 15.313 -0.080 1.00 0.00 C ATOM 1685 CG TRP A 104 2.186 16.309 -1.194 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.318 16.063 -2.530 1.00 0.00 C ATOM 1687 CD2 TRP A 104 1.898 17.705 -1.068 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.125 17.221 -3.244 1.00 0.00 N ATOM 1689 CE2 TRP A 104 1.868 18.244 -2.369 1.00 0.00 C ATOM 1690 CE3 TRP A 104 1.662 18.554 0.017 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 1.610 19.591 -2.611 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 1.408 19.891 -0.225 1.00 0.00 C ATOM 1693 CH2 TRP A 104 1.382 20.397 -1.530 1.00 0.00 C ATOM 0 H TRP A 104 0.365 15.240 -1.660 1.00 0.00 H new ATOM 0 HA TRP A 104 1.387 13.391 0.161 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.552 15.848 0.842 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.172 14.664 -0.292 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.541 15.099 -2.963 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.166 17.305 -4.260 1.00 0.00 H new ATOM 0 HE3 TRP A 104 1.678 18.172 1.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.591 19.985 -3.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.227 20.556 0.606 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.178 21.446 -1.686 1.00 0.00 H new ATOM 1704 N MET A 105 0.204 13.758 2.314 1.00 0.00 N ATOM 1705 CA MET A 105 -0.398 13.952 3.631 1.00 0.00 C ATOM 1706 C MET A 105 0.513 13.460 4.748 1.00 0.00 C ATOM 1707 O MET A 105 1.448 12.699 4.512 1.00 0.00 O ATOM 1708 CB MET A 105 -1.752 13.240 3.714 1.00 0.00 C ATOM 1709 CG MET A 105 -2.558 13.301 2.426 1.00 0.00 C ATOM 1710 SD MET A 105 -4.334 13.403 2.722 1.00 0.00 S ATOM 1711 CE MET A 105 -4.953 12.306 1.449 1.00 0.00 C ATOM 0 H MET A 105 0.415 12.787 2.085 1.00 0.00 H new ATOM 0 HA MET A 105 -0.545 15.024 3.764 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.587 12.196 3.979 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.337 13.685 4.519 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.240 14.166 1.844 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.344 12.417 1.826 1.00 0.00 H new ATOM 0 HE1 MET A 105 -5.866 12.722 1.023 1.00 0.00 H new ATOM 0 HE2 MET A 105 -4.203 12.198 0.665 1.00 0.00 H new ATOM 0 HE3 MET A 105 -5.167 11.329 1.883 1.00 0.00 H new ATOM 1721 N SER A 106 0.225 13.898 5.968 1.00 0.00 N ATOM 1722 CA SER A 106 1.013 13.501 7.128 1.00 0.00 C ATOM 1723 C SER A 106 0.597 12.117 7.616 1.00 0.00 C ATOM 1724 O SER A 106 -0.529 11.919 8.073 1.00 0.00 O ATOM 1725 CB SER A 106 0.852 14.522 8.255 1.00 0.00 C ATOM 1726 OG SER A 106 1.609 14.150 9.393 1.00 0.00 O ATOM 0 H SER A 106 -0.549 14.528 6.179 1.00 0.00 H new ATOM 0 HA SER A 106 2.061 13.464 6.830 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.171 15.505 7.908 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.200 14.606 8.526 1.00 0.00 H new ATOM 0 HG SER A 106 1.490 14.820 10.098 1.00 0.00 H new ATOM 1732 N LEU A 107 1.515 11.163 7.512 1.00 0.00 N ATOM 1733 CA LEU A 107 1.248 9.790 7.940 1.00 0.00 C ATOM 1734 C LEU A 107 1.384 9.642 9.455 1.00 0.00 C ATOM 1735 O LEU A 107 0.886 8.681 10.041 1.00 0.00 O ATOM 1736 CB LEU A 107 2.192 8.816 7.228 1.00 0.00 C ATOM 1737 CG LEU A 107 1.517 7.591 6.597 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.086 6.600 7.669 1.00 0.00 C ATOM 1739 CD2 LEU A 107 0.327 8.014 5.746 1.00 0.00 C ATOM 0 H LEU A 107 2.451 11.312 7.136 1.00 0.00 H new ATOM 0 HA LEU A 107 0.220 9.551 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.726 9.358 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.938 8.471 7.944 1.00 0.00 H new ATOM 0 HG LEU A 107 2.242 7.097 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.610 5.740 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.959 6.269 8.231 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.380 7.081 8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.138 7.131 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.399 8.535 6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.666 8.679 4.951 1.00 0.00 H new ATOM 1751 N VAL A 108 2.059 10.599 10.089 1.00 0.00 N ATOM 1752 CA VAL A 108 2.263 10.573 11.536 1.00 0.00 C ATOM 1753 C VAL A 108 0.962 10.295 12.289 1.00 0.00 C ATOM 1754 O VAL A 108 0.984 9.849 13.437 1.00 0.00 O ATOM 1755 CB VAL A 108 2.856 11.903 12.040 1.00 0.00 C ATOM 1756 CG1 VAL A 108 3.247 11.793 13.506 1.00 0.00 C ATOM 1757 CG2 VAL A 108 4.051 12.311 11.191 1.00 0.00 C ATOM 0 H VAL A 108 2.475 11.404 9.622 1.00 0.00 H new ATOM 0 HA VAL A 108 2.965 9.763 11.733 1.00 0.00 H new ATOM 0 HB VAL A 108 2.094 12.677 11.949 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.664 12.742 13.844 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.366 11.552 14.100 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.992 11.006 13.626 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.456 13.252 11.562 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.818 11.538 11.247 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.736 12.435 10.155 1.00 0.00 H new ATOM 1767 N GLY A 109 -0.169 10.559 11.641 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.455 10.327 12.271 1.00 0.00 C ATOM 1769 C GLY A 109 -2.460 9.715 11.317 1.00 0.00 C ATOM 1770 O GLY A 109 -3.562 10.234 11.143 1.00 0.00 O ATOM 0 H GLY A 109 -0.217 10.929 10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.323 9.667 13.129 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.846 11.271 12.651 1.00 0.00 H new ATOM 1774 N LEU A 110 -2.070 8.609 10.697 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.934 7.911 9.749 1.00 0.00 C ATOM 1776 C LEU A 110 -4.201 7.411 10.437 1.00 0.00 C ATOM 1777 O LEU A 110 -4.194 7.119 11.633 1.00 0.00 O ATOM 1778 CB LEU A 110 -2.182 6.733 9.124 1.00 0.00 C ATOM 1779 CG LEU A 110 -3.021 5.828 8.221 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -2.155 5.226 7.127 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.687 4.730 9.036 1.00 0.00 C ATOM 0 H LEU A 110 -1.158 8.173 10.833 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.220 8.612 8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.346 7.124 8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.758 6.127 9.925 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.801 6.431 7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.765 4.584 6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.721 6.025 6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.357 4.637 7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.280 4.096 8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.923 4.128 9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.336 5.178 9.788 1.00 0.00 H new ATOM 1793 N ASN A 111 -5.291 7.327 9.678 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.564 6.876 10.224 1.00 0.00 C ATOM 1795 C ASN A 111 -7.005 5.547 9.617 1.00 0.00 C ATOM 1796 O ASN A 111 -7.383 5.480 8.447 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.640 7.939 9.995 1.00 0.00 C ATOM 1798 CG ASN A 111 -8.144 8.544 11.291 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -8.376 7.698 12.288 1.00 0.00 O flip ATOM 1800 ND2 ASN A 111 -8.322 9.757 11.396 1.00 0.00 N flip ATOM 0 H ASN A 111 -5.316 7.565 8.686 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.427 6.721 11.294 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -7.237 8.729 9.362 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.477 7.494 9.456 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.131 10.371 10.604 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -8.661 10.149 12.275 1.00 0.00 H new ATOM 1807 N ALA A 112 -6.966 4.494 10.431 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.377 3.169 9.986 1.00 0.00 C ATOM 1809 C ALA A 112 -8.895 3.095 9.824 1.00 0.00 C ATOM 1810 O ALA A 112 -9.418 2.194 9.173 1.00 0.00 O ATOM 1811 CB ALA A 112 -6.901 2.104 10.962 1.00 0.00 C ATOM 0 H ALA A 112 -6.654 4.535 11.401 1.00 0.00 H new ATOM 0 HA ALA A 112 -6.917 2.983 9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.218 1.122 10.612 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.813 2.132 11.029 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.330 2.294 11.946 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.602 4.050 10.425 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.056 4.090 10.339 1.00 0.00 C ATOM 1819 C ASP A 113 -11.491 4.666 8.997 1.00 0.00 C ATOM 1820 O ASP A 113 -12.512 4.265 8.436 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.667 4.913 11.486 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.650 5.718 12.276 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.669 5.120 12.766 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.836 6.946 12.403 1.00 0.00 O ATOM 0 H ASP A 113 -9.190 4.804 10.975 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.420 3.066 10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.413 5.593 11.075 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.189 4.239 12.165 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.709 5.614 8.490 1.00 0.00 N ATOM 1830 CA ASP A 114 -11.007 6.256 7.216 1.00 0.00 C ATOM 1831 C ASP A 114 -10.508 5.415 6.043 1.00 0.00 C ATOM 1832 O ASP A 114 -11.010 5.534 4.927 1.00 0.00 O ATOM 1833 CB ASP A 114 -10.385 7.649 7.165 1.00 0.00 C ATOM 1834 CG ASP A 114 -11.425 8.744 7.018 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.897 8.965 5.883 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -11.766 9.380 8.037 1.00 0.00 O ATOM 0 H ASP A 114 -9.862 5.955 8.944 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.090 6.347 7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.808 7.820 8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.686 7.701 6.330 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.516 4.568 6.298 1.00 0.00 N ATOM 1842 CA PHE A 115 -8.962 3.719 5.252 1.00 0.00 C ATOM 1843 C PHE A 115 -9.685 2.371 5.214 1.00 0.00 C ATOM 1844 O PHE A 115 -10.386 2.011 6.161 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.437 3.573 5.438 1.00 0.00 C ATOM 1846 CG PHE A 115 -6.958 2.301 6.085 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.665 1.708 7.113 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -5.771 1.716 5.671 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.202 0.558 7.719 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.305 0.565 6.267 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.018 -0.014 7.292 1.00 0.00 C ATOM 0 H PHE A 115 -9.082 4.452 7.214 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.123 4.188 4.281 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -6.964 3.657 4.459 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.084 4.414 6.036 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.592 2.150 7.447 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.204 2.169 4.871 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.763 0.106 8.524 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.381 0.118 5.930 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.653 -0.915 7.763 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.548 1.615 4.112 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.212 0.318 3.956 1.00 0.00 C ATOM 1863 C PRO A 116 -9.904 -0.641 5.104 1.00 0.00 C ATOM 1864 O PRO A 116 -8.741 -0.851 5.452 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.654 -0.230 2.633 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.476 0.627 2.312 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.756 1.966 2.927 1.00 0.00 C ATOM 0 HA PRO A 116 -11.297 0.424 3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.363 -1.276 2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.402 -0.182 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.559 0.197 2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.340 0.714 1.234 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.838 2.490 3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.308 2.616 2.248 1.00 0.00 H new ATOM 1875 N PRO A 117 -10.947 -1.240 5.710 1.00 0.00 N ATOM 1876 CA PRO A 117 -10.779 -2.181 6.821 1.00 0.00 C ATOM 1877 C PRO A 117 -10.038 -3.447 6.400 1.00 0.00 C ATOM 1878 O PRO A 117 -9.574 -4.214 7.243 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.214 -2.517 7.238 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.044 -2.207 6.041 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.366 -1.052 5.359 1.00 0.00 C ATOM 0 HA PRO A 117 -10.181 -1.751 7.625 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.307 -3.565 7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.524 -1.924 8.098 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.110 -3.069 5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.063 -1.948 6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.520 -1.074 4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.746 -0.095 5.716 1.00 0.00 H new ATOM 1889 N ALA A 118 -9.932 -3.661 5.091 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.249 -4.835 4.564 1.00 0.00 C ATOM 1891 C ALA A 118 -7.780 -4.837 4.954 1.00 0.00 C ATOM 1892 O ALA A 118 -7.146 -5.890 5.023 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.397 -4.897 3.051 1.00 0.00 C ATOM 0 H ALA A 118 -10.310 -3.037 4.378 1.00 0.00 H new ATOM 0 HA ALA A 118 -9.713 -5.720 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.882 -5.779 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.454 -4.954 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -8.961 -4.002 2.606 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.242 -3.654 5.211 1.00 0.00 N ATOM 1900 CA ASN A 119 -5.846 -3.517 5.593 1.00 0.00 C ATOM 1901 C ASN A 119 -5.712 -3.102 7.059 1.00 0.00 C ATOM 1902 O ASN A 119 -4.603 -2.929 7.565 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.171 -2.494 4.686 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.087 -3.109 3.822 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.016 -3.466 4.311 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -4.362 -3.238 2.529 1.00 0.00 N ATOM 0 H ASN A 119 -7.754 -2.773 5.161 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.356 -4.484 5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.921 -2.030 4.046 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.738 -1.701 5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -3.672 -3.647 1.899 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -5.264 -2.928 2.166 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.849 -2.943 7.739 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.865 -2.550 9.142 1.00 0.00 C ATOM 1915 C GLU A 120 -6.013 -3.478 10.015 1.00 0.00 C ATOM 1916 O GLU A 120 -5.409 -3.029 10.981 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.312 -2.493 9.653 1.00 0.00 C ATOM 1918 CG GLU A 120 -8.686 -3.590 10.644 1.00 0.00 C ATOM 1919 CD GLU A 120 -10.185 -3.740 10.809 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.797 -2.883 11.481 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -10.748 -4.714 10.266 1.00 0.00 O ATOM 0 H GLU A 120 -7.775 -3.082 7.334 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.420 -1.557 9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.477 -1.525 10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.986 -2.550 8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.265 -4.537 10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.238 -3.368 11.613 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.960 -4.789 9.712 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.184 -5.742 10.512 1.00 0.00 C ATOM 1930 C PRO A 121 -3.789 -5.247 10.896 1.00 0.00 C ATOM 1931 O PRO A 121 -3.398 -5.332 12.060 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.063 -6.934 9.574 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.342 -6.921 8.817 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.663 -5.468 8.597 1.00 0.00 C ATOM 0 HA PRO A 121 -5.669 -5.942 11.467 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.204 -6.835 8.910 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -4.934 -7.865 10.125 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.242 -7.449 7.869 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.135 -7.418 9.377 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.308 -5.120 7.627 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.737 -5.284 8.628 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.035 -4.739 9.923 1.00 0.00 N ATOM 1943 CA VAL A 122 -1.684 -4.248 10.190 1.00 0.00 C ATOM 1944 C VAL A 122 -1.707 -2.856 10.808 1.00 0.00 C ATOM 1945 O VAL A 122 -1.121 -2.622 11.864 1.00 0.00 O ATOM 1946 CB VAL A 122 -0.824 -4.190 8.903 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.536 -4.827 9.137 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.529 -4.841 7.718 1.00 0.00 C ATOM 0 H VAL A 122 -3.333 -4.657 8.951 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.242 -4.957 10.890 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.678 -3.138 8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.124 -4.776 8.221 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.056 -4.293 9.932 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.405 -5.870 9.426 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -0.891 -4.778 6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.732 -5.887 7.946 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.468 -4.323 7.524 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.382 -1.934 10.129 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.482 -0.557 10.588 1.00 0.00 C ATOM 1960 C ILE A 123 -3.137 -0.482 11.956 1.00 0.00 C ATOM 1961 O ILE A 123 -2.860 0.416 12.732 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.264 0.313 9.583 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.466 0.460 8.282 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.568 1.681 10.178 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -1.748 1.789 8.154 1.00 0.00 C ATOM 0 H ILE A 123 -2.870 -2.120 9.253 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.467 -0.168 10.665 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.211 -0.179 9.361 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.734 -0.345 8.222 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.142 0.340 7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.120 2.279 9.453 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.168 1.560 11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.634 2.185 10.428 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.205 1.820 7.209 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.476 2.600 8.181 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.046 1.904 8.980 1.00 0.00 H new ATOM 1977 N ALA A 124 -3.991 -1.446 12.248 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.664 -1.488 13.538 1.00 0.00 C ATOM 1979 C ALA A 124 -3.627 -1.449 14.653 1.00 0.00 C ATOM 1980 O ALA A 124 -3.731 -0.666 15.597 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.529 -2.734 13.655 1.00 0.00 C ATOM 0 H ALA A 124 -4.236 -2.207 11.615 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.317 -0.619 13.626 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.022 -2.744 14.627 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.281 -2.730 12.866 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.904 -3.621 13.556 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.646 -2.338 14.546 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.603 -2.451 15.557 1.00 0.00 C ATOM 1989 C LYS A 125 -0.919 -1.111 15.805 1.00 0.00 C ATOM 1990 O LYS A 125 -0.767 -0.690 16.951 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.566 -3.497 15.139 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.179 -4.452 16.256 1.00 0.00 C ATOM 1993 CD LYS A 125 0.295 -3.703 17.492 1.00 0.00 C ATOM 1994 CE LYS A 125 1.613 -2.989 17.242 1.00 0.00 C ATOM 1995 NZ LYS A 125 2.760 -3.704 17.866 1.00 0.00 N ATOM 0 H LYS A 125 -2.552 -2.991 13.768 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.077 -2.767 16.486 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.960 -4.072 14.301 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.329 -2.987 14.783 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.034 -5.077 16.514 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.610 -5.119 15.909 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.462 -2.977 17.791 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.411 -4.402 18.320 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.780 -2.902 16.168 1.00 0.00 H new ATOM 0 HE3 LYS A 125 1.558 -1.976 17.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.640 -3.185 17.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.613 -3.765 18.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.829 -4.663 17.469 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.503 -0.448 14.737 1.00 0.00 N ATOM 2010 CA LEU A 126 0.172 0.846 14.860 1.00 0.00 C ATOM 2011 C LEU A 126 -0.829 1.969 15.117 1.00 0.00 C ATOM 2012 O LEU A 126 -0.644 2.787 16.016 1.00 0.00 O ATOM 2013 CB LEU A 126 0.974 1.145 13.592 1.00 0.00 C ATOM 2014 CG LEU A 126 1.803 2.431 13.639 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.289 2.110 13.689 1.00 0.00 C ATOM 2016 CD2 LEU A 126 1.487 3.316 12.442 1.00 0.00 C ATOM 0 H LEU A 126 -0.617 -0.777 13.778 1.00 0.00 H new ATOM 0 HA LEU A 126 0.850 0.791 15.712 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.643 0.307 13.397 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.285 1.206 12.750 1.00 0.00 H new ATOM 0 HG LEU A 126 1.540 2.974 14.546 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.861 3.037 13.722 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.504 1.519 14.580 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.569 1.543 12.801 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.086 4.225 12.493 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.719 2.780 11.522 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.429 3.578 12.452 1.00 0.00 H new ATOM 2028 N LYS A 127 -1.873 2.008 14.301 1.00 0.00 N ATOM 2029 CA LYS A 127 -2.910 3.033 14.398 1.00 0.00 C ATOM 2030 C LYS A 127 -3.437 3.147 15.816 1.00 0.00 C ATOM 2031 O LYS A 127 -3.681 4.245 16.316 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.065 2.700 13.466 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.319 3.527 13.710 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.518 2.647 14.022 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.827 3.390 13.803 1.00 0.00 C ATOM 2036 NZ LYS A 127 -7.971 4.546 14.730 1.00 0.00 N ATOM 0 H LYS A 127 -2.028 1.332 13.553 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.463 3.985 14.110 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.741 2.847 12.436 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.312 1.644 13.574 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.147 4.215 14.538 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.532 4.134 12.830 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -6.493 1.759 13.391 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.461 2.305 15.056 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -7.876 3.742 12.773 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.662 2.704 13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.697 5.195 14.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.253 4.204 15.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.063 5.048 14.802 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.591 2.006 16.466 1.00 0.00 N ATOM 2051 CA ARG A 128 -4.067 1.985 17.837 1.00 0.00 C ATOM 2052 C ARG A 128 -3.057 2.685 18.742 1.00 0.00 C ATOM 2053 O ARG A 128 -3.329 2.946 19.914 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.290 0.546 18.294 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.744 0.425 19.741 1.00 0.00 C ATOM 2056 CD ARG A 128 -3.726 -0.317 20.594 1.00 0.00 C ATOM 2057 NE ARG A 128 -4.223 -1.620 21.029 1.00 0.00 N ATOM 2058 CZ ARG A 128 -5.259 -1.783 21.850 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -5.909 -0.728 22.325 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -5.645 -3.004 22.195 1.00 0.00 N ATOM 0 H ARG A 128 -3.394 1.087 16.069 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.018 2.514 17.896 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.036 0.081 17.649 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.364 -0.014 18.166 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.908 1.420 20.155 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.700 -0.098 19.779 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -2.806 -0.451 20.026 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -3.476 0.286 21.467 1.00 0.00 H new ATOM 0 HE ARG A 128 -3.749 -2.454 20.684 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -5.616 0.213 22.062 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -6.702 -0.858 22.953 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -5.149 -3.818 21.832 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -6.438 -3.129 22.824 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.887 2.997 18.178 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.827 3.678 18.917 1.00 0.00 C ATOM 2076 C LEU A 129 -0.632 3.065 20.303 1.00 0.00 C ATOM 2077 O LEU A 129 0.330 2.334 20.539 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.148 5.168 19.044 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.718 5.822 17.779 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -3.140 6.304 18.019 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.834 6.977 17.323 1.00 0.00 C ATOM 0 H LEU A 129 -1.652 2.787 17.208 1.00 0.00 H new ATOM 0 HA LEU A 129 0.102 3.555 18.360 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.862 5.302 19.857 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.238 5.697 19.329 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.737 5.072 16.988 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.526 6.765 17.110 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.770 5.457 18.293 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.145 7.036 18.827 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.257 7.426 16.424 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.779 7.727 18.112 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.167 6.605 17.106 1.00 0.00 H new