USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 693 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 12 HIS : no HE2:sc= -3.69 K(o=-3.7,f=-8.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.13) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.12) USER MOD Single : A 32 GLN : amide:sc= 1.2 K(o=1.2,f=-0.042) USER MOD Single : A 33 ASN : amide:sc= -0.624 K(o=-0.62,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0557 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -9:sc= 1.23 USER MOD Single : A 65 SER OG : rot -106:sc= 0.98 USER MOD Single : A 66 LYS NZ :NH3+ -130:sc= 0.727 (180deg=-0.0878) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 -9.083 -0.456 -7.137 1.00 0.00 N ATOM 29 CA LEU A 3 -7.696 -0.034 -7.220 1.00 0.00 C ATOM 30 C LEU A 3 -6.871 -1.254 -6.889 1.00 0.00 C ATOM 31 O LEU A 3 -6.681 -1.567 -5.714 1.00 0.00 O ATOM 32 CB LEU A 3 -7.446 1.157 -6.276 1.00 0.00 C ATOM 33 CG LEU A 3 -8.228 2.410 -6.732 1.00 0.00 C ATOM 34 CD1 LEU A 3 -8.358 3.442 -5.620 1.00 0.00 C ATOM 35 CD2 LEU A 3 -7.615 3.080 -7.961 1.00 0.00 C ATOM 0 HA LEU A 3 -7.422 0.329 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.744 0.889 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.380 1.382 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.219 2.042 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.915 4.304 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.887 3.002 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.365 3.760 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.208 3.953 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.595 3.390 -7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.605 2.375 -8.792 1.00 0.00 H new ATOM 47 N VAL A 4 -6.473 -1.990 -7.925 1.00 0.00 N ATOM 48 CA VAL A 4 -5.891 -3.320 -7.771 1.00 0.00 C ATOM 49 C VAL A 4 -4.524 -3.387 -8.472 1.00 0.00 C ATOM 50 O VAL A 4 -4.136 -4.338 -9.158 1.00 0.00 O ATOM 51 CB VAL A 4 -6.912 -4.349 -8.270 1.00 0.00 C ATOM 52 CG1 VAL A 4 -8.342 -4.116 -7.755 1.00 0.00 C ATOM 53 CG2 VAL A 4 -6.859 -4.516 -9.791 1.00 0.00 C ATOM 0 H VAL A 4 -6.545 -1.680 -8.894 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.684 -3.551 -6.726 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.607 -5.297 -7.827 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.002 -4.886 -8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.348 -4.161 -6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.690 -3.136 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.598 -5.254 -10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.076 -3.561 -10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.865 -4.852 -10.086 1.00 0.00 H new ATOM 63 N LEU A 5 -3.808 -2.290 -8.345 1.00 0.00 N ATOM 64 CA LEU A 5 -2.587 -2.022 -9.050 1.00 0.00 C ATOM 65 C LEU A 5 -1.900 -0.907 -8.289 1.00 0.00 C ATOM 66 O LEU A 5 -2.352 0.236 -8.359 1.00 0.00 O ATOM 67 CB LEU A 5 -2.804 -1.640 -10.528 1.00 0.00 C ATOM 68 CG LEU A 5 -3.910 -0.590 -10.834 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.381 0.706 -11.463 1.00 0.00 C ATOM 70 CD2 LEU A 5 -4.910 -1.202 -11.812 1.00 0.00 C ATOM 0 H LEU A 5 -4.079 -1.532 -7.719 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.978 -2.925 -9.090 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.861 -1.262 -10.922 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.039 -2.549 -11.081 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.360 -0.330 -9.876 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.212 1.387 -11.646 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.670 1.176 -10.784 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.885 0.477 -12.406 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.692 -0.476 -12.035 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.396 -1.477 -12.733 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.357 -2.091 -11.367 1.00 0.00 H new ATOM 82 N VAL A 6 -0.826 -1.204 -7.565 1.00 0.00 N ATOM 83 CA VAL A 6 -0.112 -0.185 -6.804 1.00 0.00 C ATOM 84 C VAL A 6 1.364 -0.189 -7.203 1.00 0.00 C ATOM 85 O VAL A 6 2.275 -0.265 -6.382 1.00 0.00 O ATOM 86 CB VAL A 6 -0.464 -0.285 -5.306 1.00 0.00 C ATOM 87 CG1 VAL A 6 -0.237 -1.703 -4.778 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.222 0.756 -4.411 1.00 0.00 C ATOM 0 H VAL A 6 -0.431 -2.141 -7.489 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.438 0.825 -7.053 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.526 -0.048 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.494 -1.742 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.866 -2.402 -5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.810 -1.976 -4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.087 0.606 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.304 0.645 -4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.063 1.757 -4.733 1.00 0.00 H new ATOM 98 N LYS A 7 1.606 -0.048 -8.502 1.00 0.00 N ATOM 99 CA LYS A 7 2.932 0.034 -9.079 1.00 0.00 C ATOM 100 C LYS A 7 3.059 1.316 -9.912 1.00 0.00 C ATOM 101 O LYS A 7 3.705 1.292 -10.964 1.00 0.00 O ATOM 102 CB LYS A 7 3.205 -1.228 -9.911 1.00 0.00 C ATOM 103 CG LYS A 7 2.232 -1.444 -11.081 1.00 0.00 C ATOM 104 CD LYS A 7 3.021 -1.890 -12.313 1.00 0.00 C ATOM 105 CE LYS A 7 2.063 -2.268 -13.432 1.00 0.00 C ATOM 106 NZ LYS A 7 2.787 -2.658 -14.662 1.00 0.00 N ATOM 0 H LYS A 7 0.861 0.013 -9.196 1.00 0.00 H new ATOM 0 HA LYS A 7 3.684 0.083 -8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.220 -1.176 -10.304 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.162 -2.097 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.489 -2.197 -10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.691 -0.522 -11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.681 -1.088 -12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.654 -2.741 -12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.429 -3.092 -13.106 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.405 -1.426 -13.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.102 -2.909 -15.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.373 -1.862 -14.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.396 -3.477 -14.462 1.00 0.00 H new ATOM 120 N TYR A 8 2.506 2.448 -9.477 1.00 0.00 N ATOM 121 CA TYR A 8 2.707 3.724 -10.169 1.00 0.00 C ATOM 122 C TYR A 8 2.823 4.888 -9.190 1.00 0.00 C ATOM 123 O TYR A 8 2.543 6.036 -9.542 1.00 0.00 O ATOM 124 CB TYR A 8 1.490 3.936 -11.103 1.00 0.00 C ATOM 125 CG TYR A 8 1.835 4.181 -12.548 1.00 0.00 C ATOM 126 CD1 TYR A 8 2.121 5.477 -13.015 1.00 0.00 C ATOM 127 CD2 TYR A 8 1.840 3.093 -13.434 1.00 0.00 C ATOM 128 CE1 TYR A 8 2.384 5.686 -14.382 1.00 0.00 C ATOM 129 CE2 TYR A 8 2.099 3.299 -14.793 1.00 0.00 C ATOM 130 CZ TYR A 8 2.358 4.594 -15.281 1.00 0.00 C ATOM 131 OH TYR A 8 2.595 4.789 -16.605 1.00 0.00 O ATOM 0 H TYR A 8 1.915 2.509 -8.648 1.00 0.00 H new ATOM 0 HA TYR A 8 3.640 3.692 -10.732 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.846 3.058 -11.042 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.911 4.782 -10.734 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.139 6.309 -12.327 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.644 2.097 -13.067 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.605 6.679 -14.744 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.100 2.459 -15.472 1.00 0.00 H new ATOM 0 HH TYR A 8 2.539 3.932 -17.077 1.00 0.00 H new ATOM 141 N GLY A 9 3.450 4.655 -8.039 1.00 0.00 N ATOM 142 CA GLY A 9 3.452 5.625 -6.964 1.00 0.00 C ATOM 143 C GLY A 9 2.008 5.929 -6.621 1.00 0.00 C ATOM 144 O GLY A 9 1.305 5.106 -6.039 1.00 0.00 O ATOM 0 H GLY A 9 3.963 3.798 -7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.978 5.232 -6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.973 6.533 -7.268 1.00 0.00 H new ATOM 148 N THR A 10 1.534 7.075 -7.050 1.00 0.00 N ATOM 149 CA THR A 10 0.321 7.663 -6.520 1.00 0.00 C ATOM 150 C THR A 10 -0.946 7.243 -7.292 1.00 0.00 C ATOM 151 O THR A 10 -1.561 8.069 -7.962 1.00 0.00 O ATOM 152 CB THR A 10 0.497 9.184 -6.316 1.00 0.00 C ATOM 153 OG1 THR A 10 1.484 9.765 -7.163 1.00 0.00 O ATOM 154 CG2 THR A 10 0.987 9.478 -4.893 1.00 0.00 C ATOM 0 H THR A 10 1.980 7.631 -7.780 1.00 0.00 H new ATOM 0 HA THR A 10 0.146 7.249 -5.527 1.00 0.00 H new ATOM 0 HB THR A 10 -0.484 9.605 -6.536 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.543 10.727 -6.984 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.106 10.554 -4.764 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.259 9.105 -4.173 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.945 8.984 -4.729 1.00 0.00 H new ATOM 162 N ASP A 11 -1.405 5.984 -7.165 1.00 0.00 N ATOM 163 CA ASP A 11 -2.677 5.540 -7.775 1.00 0.00 C ATOM 164 C ASP A 11 -3.453 4.493 -6.948 1.00 0.00 C ATOM 165 O ASP A 11 -4.021 3.555 -7.499 1.00 0.00 O ATOM 166 CB ASP A 11 -2.435 5.063 -9.222 1.00 0.00 C ATOM 167 CG ASP A 11 -3.705 5.000 -10.089 1.00 0.00 C ATOM 168 OD1 ASP A 11 -4.779 5.544 -9.702 1.00 0.00 O ATOM 169 OD2 ASP A 11 -3.602 4.578 -11.256 1.00 0.00 O ATOM 0 H ASP A 11 -0.916 5.255 -6.646 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.330 6.413 -7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.718 5.732 -9.697 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.979 4.074 -9.194 1.00 0.00 H new ATOM 174 N HIS A 12 -3.497 4.616 -5.614 1.00 0.00 N ATOM 175 CA HIS A 12 -4.330 3.756 -4.754 1.00 0.00 C ATOM 176 C HIS A 12 -4.599 4.431 -3.395 1.00 0.00 C ATOM 177 O HIS A 12 -3.937 5.426 -3.096 1.00 0.00 O ATOM 178 CB HIS A 12 -3.653 2.370 -4.622 1.00 0.00 C ATOM 179 CG HIS A 12 -2.742 2.226 -3.429 1.00 0.00 C ATOM 180 ND1 HIS A 12 -2.020 3.228 -2.822 1.00 0.00 N ATOM 181 CD2 HIS A 12 -2.586 1.101 -2.669 1.00 0.00 C ATOM 182 CE1 HIS A 12 -1.470 2.737 -1.709 1.00 0.00 C ATOM 183 NE2 HIS A 12 -1.792 1.451 -1.573 1.00 0.00 N ATOM 0 H HIS A 12 -2.958 5.312 -5.099 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.310 3.607 -5.208 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.428 1.606 -4.565 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.078 2.174 -5.527 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -1.922 4.184 -3.164 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.999 0.125 -2.876 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.855 3.299 -1.021 1.00 0.00 H new ATOM 191 N PRO A 13 -5.539 3.957 -2.553 1.00 0.00 N ATOM 192 CA PRO A 13 -5.824 4.597 -1.268 1.00 0.00 C ATOM 193 C PRO A 13 -4.697 4.324 -0.275 1.00 0.00 C ATOM 194 O PRO A 13 -3.977 3.380 -0.499 1.00 0.00 O ATOM 195 CB PRO A 13 -7.148 3.975 -0.832 1.00 0.00 C ATOM 196 CG PRO A 13 -7.093 2.552 -1.381 1.00 0.00 C ATOM 197 CD PRO A 13 -6.264 2.696 -2.658 1.00 0.00 C ATOM 0 HA PRO A 13 -5.894 5.683 -1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.252 3.979 0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.998 4.525 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.626 1.866 -0.674 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.090 2.163 -1.591 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.572 1.861 -2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.907 2.692 -3.538 1.00 0.00 H new ATOM 205 N VAL A 14 -4.555 5.107 0.807 1.00 0.00 N ATOM 206 CA VAL A 14 -3.638 4.958 1.947 1.00 0.00 C ATOM 207 C VAL A 14 -3.573 6.276 2.705 1.00 0.00 C ATOM 208 O VAL A 14 -3.361 6.271 3.904 1.00 0.00 O ATOM 209 CB VAL A 14 -2.230 4.450 1.546 1.00 0.00 C ATOM 210 CG1 VAL A 14 -1.036 5.056 2.308 1.00 0.00 C ATOM 211 CG2 VAL A 14 -2.132 2.942 1.803 1.00 0.00 C ATOM 0 H VAL A 14 -5.135 5.939 0.915 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.037 4.180 2.599 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.151 4.748 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.108 4.620 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.017 6.135 2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.137 4.842 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.141 2.588 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.300 2.742 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.885 2.422 1.211 1.00 0.00 H new ATOM 221 N GLU A 15 -3.769 7.402 2.031 1.00 0.00 N ATOM 222 CA GLU A 15 -3.644 8.720 2.654 1.00 0.00 C ATOM 223 C GLU A 15 -4.596 9.704 1.987 1.00 0.00 C ATOM 224 O GLU A 15 -5.173 10.557 2.637 1.00 0.00 O ATOM 225 CB GLU A 15 -2.142 9.075 2.674 1.00 0.00 C ATOM 226 CG GLU A 15 -1.558 9.405 1.302 1.00 0.00 C ATOM 227 CD GLU A 15 -1.143 10.862 1.083 1.00 0.00 C ATOM 228 OE1 GLU A 15 -0.642 11.473 2.041 1.00 0.00 O ATOM 229 OE2 GLU A 15 -1.265 11.345 -0.062 1.00 0.00 O ATOM 0 H GLU A 15 -4.018 7.431 1.042 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.965 8.750 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.991 9.928 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.588 8.239 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.687 8.771 1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.293 9.139 0.542 1.00 0.00 H new ATOM 236 N LYS A 16 -4.948 9.464 0.730 1.00 0.00 N ATOM 237 CA LYS A 16 -5.598 10.442 -0.113 1.00 0.00 C ATOM 238 C LYS A 16 -6.688 9.771 -0.911 1.00 0.00 C ATOM 239 O LYS A 16 -7.863 10.050 -0.692 1.00 0.00 O ATOM 240 CB LYS A 16 -4.509 11.041 -0.991 1.00 0.00 C ATOM 241 CG LYS A 16 -4.951 12.371 -1.591 1.00 0.00 C ATOM 242 CD LYS A 16 -4.578 13.517 -0.639 1.00 0.00 C ATOM 243 CE LYS A 16 -5.021 14.854 -1.224 1.00 0.00 C ATOM 244 NZ LYS A 16 -4.076 15.363 -2.247 1.00 0.00 N ATOM 0 H LYS A 16 -4.785 8.570 0.267 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.081 11.236 0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.604 11.188 -0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.259 10.344 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.474 12.520 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.027 12.364 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.050 13.362 0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.501 13.524 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.010 14.743 -1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.113 15.586 -0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.420 16.273 -2.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.138 15.495 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.007 14.678 -3.027 1.00 0.00 H new ATOM 258 N LEU A 17 -6.350 8.749 -1.701 1.00 0.00 N ATOM 259 CA LEU A 17 -7.370 7.948 -2.369 1.00 0.00 C ATOM 260 C LEU A 17 -8.281 7.242 -1.359 1.00 0.00 C ATOM 261 O LEU A 17 -9.441 6.991 -1.669 1.00 0.00 O ATOM 262 CB LEU A 17 -6.744 6.998 -3.410 1.00 0.00 C ATOM 263 CG LEU A 17 -6.938 7.436 -4.873 1.00 0.00 C ATOM 264 CD1 LEU A 17 -8.428 7.371 -5.243 1.00 0.00 C ATOM 265 CD2 LEU A 17 -6.317 8.809 -5.153 1.00 0.00 C ATOM 0 H LEU A 17 -5.390 8.462 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.019 8.619 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.676 6.912 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.174 6.005 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.402 6.740 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.559 7.682 -6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.789 6.350 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.994 8.035 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.479 9.075 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.783 9.557 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.247 8.773 -4.950 1.00 0.00 H new ATOM 277 N LYS A 18 -7.809 7.001 -0.122 1.00 0.00 N ATOM 278 CA LYS A 18 -8.682 6.466 0.934 1.00 0.00 C ATOM 279 C LYS A 18 -9.841 7.430 1.196 1.00 0.00 C ATOM 280 O LYS A 18 -10.941 7.032 1.527 1.00 0.00 O ATOM 281 CB LYS A 18 -7.934 6.087 2.242 1.00 0.00 C ATOM 282 CG LYS A 18 -8.093 7.023 3.464 1.00 0.00 C ATOM 283 CD LYS A 18 -7.122 8.191 3.392 1.00 0.00 C ATOM 284 CE LYS A 18 -7.468 9.349 4.338 1.00 0.00 C ATOM 285 NZ LYS A 18 -7.666 9.056 5.782 1.00 0.00 N ATOM 0 H LYS A 18 -6.844 7.165 0.166 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.082 5.522 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.263 5.091 2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.871 6.016 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.115 7.399 3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.921 6.460 4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.120 7.832 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.096 8.566 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.673 10.091 4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.380 9.817 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.087 9.884 6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.301 8.239 5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.748 8.840 6.221 1.00 0.00 H new ATOM 299 N ILE A 19 -9.583 8.728 1.110 1.00 0.00 N ATOM 300 CA ILE A 19 -10.538 9.751 1.495 1.00 0.00 C ATOM 301 C ILE A 19 -11.640 9.861 0.438 1.00 0.00 C ATOM 302 O ILE A 19 -12.778 10.219 0.728 1.00 0.00 O ATOM 303 CB ILE A 19 -9.725 11.054 1.707 1.00 0.00 C ATOM 304 CG1 ILE A 19 -9.782 11.569 3.150 1.00 0.00 C ATOM 305 CG2 ILE A 19 -9.994 12.219 0.753 1.00 0.00 C ATOM 306 CD1 ILE A 19 -8.426 12.209 3.482 1.00 0.00 C ATOM 0 H ILE A 19 -8.697 9.101 0.768 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.061 9.516 2.422 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.722 10.704 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.585 12.298 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.995 10.751 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.356 13.062 1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.778 11.909 -0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -11.040 12.517 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.441 12.584 4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.637 11.464 3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.236 13.034 2.796 1.00 0.00 H new ATOM 318 N ARG A 20 -11.292 9.539 -0.808 1.00 0.00 N ATOM 319 CA ARG A 20 -12.216 9.468 -1.921 1.00 0.00 C ATOM 320 C ARG A 20 -13.141 8.266 -1.739 1.00 0.00 C ATOM 321 O ARG A 20 -14.359 8.439 -1.820 1.00 0.00 O ATOM 322 CB ARG A 20 -11.390 9.436 -3.211 1.00 0.00 C ATOM 323 CG ARG A 20 -10.788 10.825 -3.517 1.00 0.00 C ATOM 324 CD ARG A 20 -9.265 10.772 -3.728 1.00 0.00 C ATOM 325 NE ARG A 20 -8.751 11.889 -4.535 1.00 0.00 N ATOM 326 CZ ARG A 20 -8.904 12.062 -5.858 1.00 0.00 C ATOM 327 NH1 ARG A 20 -9.660 11.242 -6.591 1.00 0.00 N ATOM 328 NH2 ARG A 20 -8.301 13.076 -6.452 1.00 0.00 N ATOM 0 H ARG A 20 -10.332 9.316 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.871 10.338 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.590 8.702 -3.117 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.019 9.117 -4.042 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.261 11.234 -4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.015 11.505 -2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.770 10.776 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.005 9.832 -4.214 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.223 12.607 -4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.140 10.459 -6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.757 11.399 -7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.726 13.718 -5.906 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.410 13.217 -7.456 1.00 0.00 H new ATOM 342 N SER A 21 -12.595 7.094 -1.406 1.00 0.00 N ATOM 343 CA SER A 21 -13.364 5.919 -1.037 1.00 0.00 C ATOM 344 C SER A 21 -12.500 5.094 -0.087 1.00 0.00 C ATOM 345 O SER A 21 -11.468 4.578 -0.537 1.00 0.00 O ATOM 346 CB SER A 21 -13.706 5.138 -2.316 1.00 0.00 C ATOM 347 OG SER A 21 -14.506 3.997 -2.066 1.00 0.00 O ATOM 0 H SER A 21 -11.587 6.940 -1.387 1.00 0.00 H new ATOM 0 HA SER A 21 -14.300 6.175 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.228 5.797 -3.010 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.782 4.828 -2.805 1.00 0.00 H new ATOM 0 HG SER A 21 -14.695 3.539 -2.911 1.00 0.00 H new ATOM 353 N ALA A 22 -12.907 4.978 1.188 1.00 0.00 N ATOM 354 CA ALA A 22 -12.461 4.012 2.196 1.00 0.00 C ATOM 355 C ALA A 22 -12.955 4.375 3.593 1.00 0.00 C ATOM 356 O ALA A 22 -13.360 5.511 3.841 1.00 0.00 O ATOM 357 CB ALA A 22 -10.940 3.960 2.323 1.00 0.00 C ATOM 0 H ALA A 22 -13.613 5.610 1.567 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.867 3.060 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.663 3.229 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.505 3.672 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.565 4.942 2.611 1.00 0.00 H new ATOM 363 N LYS A 23 -12.822 3.430 4.534 1.00 0.00 N ATOM 364 CA LYS A 23 -13.134 3.591 5.946 1.00 0.00 C ATOM 365 C LYS A 23 -12.051 2.879 6.737 1.00 0.00 C ATOM 366 O LYS A 23 -11.034 2.507 6.136 1.00 0.00 O ATOM 367 CB LYS A 23 -14.555 3.075 6.248 1.00 0.00 C ATOM 368 CG LYS A 23 -15.472 3.944 7.109 1.00 0.00 C ATOM 369 CD LYS A 23 -16.242 4.957 6.259 1.00 0.00 C ATOM 370 CE LYS A 23 -15.314 6.107 5.944 1.00 0.00 C ATOM 371 NZ LYS A 23 -15.845 7.420 6.370 1.00 0.00 N ATOM 0 H LYS A 23 -12.479 2.495 4.314 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.141 4.641 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.056 2.904 5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.460 2.105 6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.176 3.310 7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.879 4.470 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.596 4.491 5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.121 5.313 6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.355 5.935 6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.126 6.130 4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.163 8.166 6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.747 7.604 5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.999 7.415 7.398 1.00 0.00 H new ATOM 385 N ALA A 24 -12.223 2.720 8.055 1.00 0.00 N ATOM 386 CA ALA A 24 -11.236 1.982 8.829 1.00 0.00 C ATOM 387 C ALA A 24 -11.200 0.504 8.441 1.00 0.00 C ATOM 388 O ALA A 24 -10.174 -0.151 8.564 1.00 0.00 O ATOM 389 CB ALA A 24 -11.504 2.082 10.326 1.00 0.00 C ATOM 0 H ALA A 24 -13.013 3.083 8.589 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.273 2.439 8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.746 1.518 10.870 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.469 3.127 10.633 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.489 1.672 10.547 1.00 0.00 H new ATOM 395 N GLU A 25 -12.334 -0.030 8.003 1.00 0.00 N ATOM 396 CA GLU A 25 -12.541 -1.443 7.713 1.00 0.00 C ATOM 397 C GLU A 25 -12.139 -1.776 6.281 1.00 0.00 C ATOM 398 O GLU A 25 -12.683 -2.675 5.638 1.00 0.00 O ATOM 399 CB GLU A 25 -14.010 -1.830 8.023 1.00 0.00 C ATOM 400 CG GLU A 25 -14.921 -0.642 8.416 1.00 0.00 C ATOM 401 CD GLU A 25 -16.412 -0.930 8.439 1.00 0.00 C ATOM 402 OE1 GLU A 25 -16.877 -1.795 7.667 1.00 0.00 O ATOM 403 OE2 GLU A 25 -17.166 -0.156 9.076 1.00 0.00 O ATOM 0 H GLU A 25 -13.168 0.533 7.833 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.896 -2.040 8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.434 -2.322 7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.016 -2.559 8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.623 -0.292 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.739 0.176 7.719 1.00 0.00 H new ATOM 410 N ASP A 26 -11.073 -1.140 5.816 1.00 0.00 N ATOM 411 CA ASP A 26 -10.592 -1.323 4.458 1.00 0.00 C ATOM 412 C ASP A 26 -9.213 -2.007 4.536 1.00 0.00 C ATOM 413 O ASP A 26 -8.595 -2.071 5.606 1.00 0.00 O ATOM 414 CB ASP A 26 -10.587 0.064 3.793 1.00 0.00 C ATOM 415 CG ASP A 26 -10.941 0.047 2.313 1.00 0.00 C ATOM 416 OD1 ASP A 26 -12.107 -0.309 1.995 1.00 0.00 O ATOM 417 OD2 ASP A 26 -10.086 0.476 1.508 1.00 0.00 O ATOM 0 H ASP A 26 -10.520 -0.485 6.369 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.220 -1.970 3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.293 0.708 4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.599 0.509 3.914 1.00 0.00 H new ATOM 422 N LYS A 27 -8.675 -2.521 3.431 1.00 0.00 N ATOM 423 CA LYS A 27 -7.382 -3.212 3.415 1.00 0.00 C ATOM 424 C LYS A 27 -6.603 -2.730 2.193 1.00 0.00 C ATOM 425 O LYS A 27 -7.234 -2.413 1.182 1.00 0.00 O ATOM 426 CB LYS A 27 -7.601 -4.739 3.385 1.00 0.00 C ATOM 427 CG LYS A 27 -7.848 -5.402 4.755 1.00 0.00 C ATOM 428 CD LYS A 27 -9.038 -6.374 4.831 1.00 0.00 C ATOM 429 CE LYS A 27 -10.367 -5.624 4.986 1.00 0.00 C ATOM 430 NZ LYS A 27 -11.491 -6.529 5.311 1.00 0.00 N ATOM 0 H LYS A 27 -9.124 -2.471 2.517 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.810 -2.986 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.452 -4.954 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.728 -5.205 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.946 -5.941 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.999 -4.616 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.067 -6.986 3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.902 -7.053 5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.269 -4.875 5.772 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.590 -5.090 4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.331 -5.966 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.703 -7.128 4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.230 -7.130 6.119 1.00 0.00 H new ATOM 444 N ILE A 28 -5.276 -2.579 2.300 1.00 0.00 N ATOM 445 CA ILE A 28 -4.432 -2.047 1.232 1.00 0.00 C ATOM 446 C ILE A 28 -2.985 -2.552 1.411 1.00 0.00 C ATOM 447 O ILE A 28 -2.588 -2.871 2.532 1.00 0.00 O ATOM 448 CB ILE A 28 -4.466 -0.501 1.210 1.00 0.00 C ATOM 449 CG1 ILE A 28 -5.700 0.215 1.819 1.00 0.00 C ATOM 450 CG2 ILE A 28 -4.380 -0.076 -0.259 1.00 0.00 C ATOM 451 CD1 ILE A 28 -5.321 1.630 2.237 1.00 0.00 C ATOM 0 H ILE A 28 -4.756 -2.827 3.142 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.820 -2.401 0.277 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.636 -0.199 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.510 0.246 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.067 -0.343 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.401 1.012 -0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.451 -0.448 -0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.227 -0.489 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.191 2.129 2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.525 1.589 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.975 2.186 1.366 1.00 0.00 H new ATOM 463 N VAL A 29 -2.160 -2.516 0.357 1.00 0.00 N ATOM 464 CA VAL A 29 -0.717 -2.816 0.321 1.00 0.00 C ATOM 465 C VAL A 29 -0.021 -1.853 -0.668 1.00 0.00 C ATOM 466 O VAL A 29 -0.711 -1.227 -1.457 1.00 0.00 O ATOM 467 CB VAL A 29 -0.521 -4.316 -0.011 1.00 0.00 C ATOM 468 CG1 VAL A 29 0.860 -4.720 -0.564 1.00 0.00 C ATOM 469 CG2 VAL A 29 -0.809 -5.148 1.246 1.00 0.00 C ATOM 0 H VAL A 29 -2.508 -2.257 -0.566 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.247 -2.650 1.290 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.221 -4.514 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.875 -5.793 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.052 -4.181 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.631 -4.472 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.673 -6.206 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.123 -4.855 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.835 -4.975 1.570 1.00 0.00 H new ATOM 479 N LEU A 30 1.313 -1.677 -0.637 1.00 0.00 N ATOM 480 CA LEU A 30 2.082 -0.915 -1.651 1.00 0.00 C ATOM 481 C LEU A 30 3.168 -1.781 -2.274 1.00 0.00 C ATOM 482 O LEU A 30 3.798 -2.554 -1.557 1.00 0.00 O ATOM 483 CB LEU A 30 2.745 0.385 -1.103 1.00 0.00 C ATOM 484 CG LEU A 30 2.335 0.902 0.282 1.00 0.00 C ATOM 485 CD1 LEU A 30 3.261 2.058 0.695 1.00 0.00 C ATOM 486 CD2 LEU A 30 0.967 1.545 0.222 1.00 0.00 C ATOM 0 H LEU A 30 1.900 -2.064 0.102 1.00 0.00 H new ATOM 0 HA LEU A 30 1.344 -0.619 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.823 0.224 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.552 1.181 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 30 2.370 0.052 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.969 2.424 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.291 1.704 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.180 2.866 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.691 1.906 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.988 2.382 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.234 0.811 -0.113 1.00 0.00 H new ATOM 498 N ILE A 31 3.435 -1.599 -3.575 1.00 0.00 N ATOM 499 CA ILE A 31 4.501 -2.277 -4.317 1.00 0.00 C ATOM 500 C ILE A 31 5.244 -1.286 -5.215 1.00 0.00 C ATOM 501 O ILE A 31 4.993 -0.090 -5.129 1.00 0.00 O ATOM 502 CB ILE A 31 3.989 -3.533 -5.064 1.00 0.00 C ATOM 503 CG1 ILE A 31 3.388 -3.249 -6.456 1.00 0.00 C ATOM 504 CG2 ILE A 31 3.044 -4.366 -4.191 1.00 0.00 C ATOM 505 CD1 ILE A 31 3.120 -4.495 -7.301 1.00 0.00 C ATOM 0 H ILE A 31 2.897 -0.956 -4.155 1.00 0.00 H new ATOM 0 HA ILE A 31 5.229 -2.658 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 31 4.880 -4.129 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.452 -2.704 -6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.066 -2.594 -7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.706 -5.238 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.570 -4.692 -3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.183 -3.761 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.698 -4.199 -8.262 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.055 -5.032 -7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.416 -5.143 -6.780 1.00 0.00 H new ATOM 517 N GLN A 32 6.159 -1.773 -6.053 1.00 0.00 N ATOM 518 CA GLN A 32 7.030 -1.097 -7.004 1.00 0.00 C ATOM 519 C GLN A 32 7.268 0.370 -6.677 1.00 0.00 C ATOM 520 O GLN A 32 7.969 0.637 -5.698 1.00 0.00 O ATOM 521 CB GLN A 32 6.551 -1.273 -8.454 1.00 0.00 C ATOM 522 CG GLN A 32 6.548 -2.713 -8.934 1.00 0.00 C ATOM 523 CD GLN A 32 7.907 -3.126 -9.500 1.00 0.00 C ATOM 524 OE1 GLN A 32 8.148 -2.954 -10.692 1.00 0.00 O ATOM 525 NE2 GLN A 32 8.799 -3.685 -8.706 1.00 0.00 N ATOM 0 H GLN A 32 6.324 -2.779 -6.081 1.00 0.00 H new ATOM 0 HA GLN A 32 7.997 -1.591 -6.907 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.543 -0.869 -8.544 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.190 -0.683 -9.111 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.284 -3.371 -8.106 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.782 -2.839 -9.699 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.587 -3.822 -7.718 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.701 -3.980 -9.080 1.00 0.00 H new ATOM 534 N ASN A 33 6.720 1.305 -7.446 1.00 0.00 N ATOM 535 CA ASN A 33 6.751 2.746 -7.162 1.00 0.00 C ATOM 536 C ASN A 33 5.692 3.168 -6.142 1.00 0.00 C ATOM 537 O ASN A 33 5.888 4.171 -5.465 1.00 0.00 O ATOM 538 CB ASN A 33 6.566 3.598 -8.436 1.00 0.00 C ATOM 539 CG ASN A 33 7.757 3.606 -9.405 1.00 0.00 C ATOM 540 OD1 ASN A 33 7.915 4.545 -10.178 1.00 0.00 O ATOM 541 ND2 ASN A 33 8.633 2.610 -9.414 1.00 0.00 N ATOM 0 H ASN A 33 6.227 1.081 -8.310 1.00 0.00 H new ATOM 0 HA ASN A 33 7.741 2.928 -6.744 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.688 3.235 -8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.356 4.625 -8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.424 2.632 -10.058 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.516 1.822 -8.777 1.00 0.00 H new ATOM 548 N GLY A 34 4.583 2.428 -6.022 1.00 0.00 N ATOM 549 CA GLY A 34 3.530 2.578 -5.015 1.00 0.00 C ATOM 550 C GLY A 34 4.040 2.755 -3.594 1.00 0.00 C ATOM 551 O GLY A 34 3.389 3.423 -2.796 1.00 0.00 O ATOM 0 H GLY A 34 4.387 1.662 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.914 3.438 -5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.884 1.701 -5.049 1.00 0.00 H new ATOM 555 N VAL A 35 5.216 2.217 -3.284 1.00 0.00 N ATOM 556 CA VAL A 35 5.942 2.462 -2.047 1.00 0.00 C ATOM 557 C VAL A 35 5.992 3.954 -1.649 1.00 0.00 C ATOM 558 O VAL A 35 6.043 4.246 -0.454 1.00 0.00 O ATOM 559 CB VAL A 35 7.356 1.875 -2.187 1.00 0.00 C ATOM 560 CG1 VAL A 35 7.325 0.338 -2.260 1.00 0.00 C ATOM 561 CG2 VAL A 35 8.173 2.428 -3.360 1.00 0.00 C ATOM 0 H VAL A 35 5.704 1.577 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 35 5.405 1.969 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 35 7.867 2.197 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.342 -0.042 -2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.875 -0.060 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.736 0.027 -3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.154 1.954 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.654 2.219 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.292 3.505 -3.244 1.00 0.00 H new ATOM 571 N PHE A 36 5.880 4.888 -2.608 1.00 0.00 N ATOM 572 CA PHE A 36 5.784 6.332 -2.396 1.00 0.00 C ATOM 573 C PHE A 36 4.775 6.715 -1.306 1.00 0.00 C ATOM 574 O PHE A 36 5.009 7.634 -0.532 1.00 0.00 O ATOM 575 CB PHE A 36 5.384 7.013 -3.718 1.00 0.00 C ATOM 576 CG PHE A 36 6.506 7.406 -4.669 1.00 0.00 C ATOM 577 CD1 PHE A 36 7.728 6.704 -4.720 1.00 0.00 C ATOM 578 CD2 PHE A 36 6.331 8.537 -5.493 1.00 0.00 C ATOM 579 CE1 PHE A 36 8.771 7.157 -5.547 1.00 0.00 C ATOM 580 CE2 PHE A 36 7.374 8.996 -6.313 1.00 0.00 C ATOM 581 CZ PHE A 36 8.600 8.314 -6.326 1.00 0.00 C ATOM 0 H PHE A 36 5.853 4.639 -3.597 1.00 0.00 H new ATOM 0 HA PHE A 36 6.764 6.672 -2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.709 6.344 -4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.817 7.912 -3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.863 5.815 -4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.384 9.056 -5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.705 6.615 -5.584 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.233 9.870 -6.931 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.414 8.679 -6.936 1.00 0.00 H new ATOM 591 N TRP A 37 3.644 6.020 -1.213 1.00 0.00 N ATOM 592 CA TRP A 37 2.611 6.377 -0.242 1.00 0.00 C ATOM 593 C TRP A 37 3.079 6.201 1.214 1.00 0.00 C ATOM 594 O TRP A 37 2.465 6.776 2.122 1.00 0.00 O ATOM 595 CB TRP A 37 1.321 5.595 -0.487 1.00 0.00 C ATOM 596 CG TRP A 37 0.611 5.780 -1.795 1.00 0.00 C ATOM 597 CD1 TRP A 37 0.602 4.894 -2.814 1.00 0.00 C ATOM 598 CD2 TRP A 37 -0.310 6.847 -2.193 1.00 0.00 C ATOM 599 NE1 TRP A 37 -0.262 5.341 -3.793 1.00 0.00 N ATOM 600 CE2 TRP A 37 -0.936 6.484 -3.418 1.00 0.00 C ATOM 601 CE3 TRP A 37 -0.689 8.091 -1.657 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -1.946 7.266 -4.017 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -1.709 8.876 -2.234 1.00 0.00 C ATOM 604 CH2 TRP A 37 -2.376 8.447 -3.393 1.00 0.00 C ATOM 0 H TRP A 37 3.420 5.212 -1.793 1.00 0.00 H new ATOM 0 HA TRP A 37 2.408 7.438 -0.390 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.551 4.535 -0.381 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.622 5.851 0.309 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.179 3.982 -2.856 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.388 4.878 -4.693 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.183 8.457 -0.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.387 6.957 -4.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.980 9.817 -1.779 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.202 9.014 -3.796 1.00 0.00 H new ATOM 615 N ALA A 38 4.164 5.459 1.469 1.00 0.00 N ATOM 616 CA ALA A 38 4.752 5.310 2.791 1.00 0.00 C ATOM 617 C ALA A 38 5.695 6.455 3.100 1.00 0.00 C ATOM 618 O ALA A 38 6.706 6.205 3.753 1.00 0.00 O ATOM 619 CB ALA A 38 5.463 3.952 2.887 1.00 0.00 C ATOM 0 H ALA A 38 4.661 4.940 0.745 1.00 0.00 H new ATOM 0 HA ALA A 38 3.959 5.340 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.903 3.841 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.743 3.151 2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.248 3.898 2.133 1.00 0.00 H new ATOM 625 N LEU A 39 5.345 7.687 2.700 1.00 0.00 N ATOM 626 CA LEU A 39 6.126 8.906 2.902 1.00 0.00 C ATOM 627 C LEU A 39 5.392 10.148 2.379 1.00 0.00 C ATOM 628 O LEU A 39 5.990 11.080 1.848 1.00 0.00 O ATOM 629 CB LEU A 39 7.575 8.712 2.421 1.00 0.00 C ATOM 630 CG LEU A 39 7.846 7.959 1.106 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.758 8.872 -0.113 1.00 0.00 C ATOM 632 CD2 LEU A 39 9.232 7.318 1.227 1.00 0.00 C ATOM 0 H LEU A 39 4.470 7.863 2.206 1.00 0.00 H new ATOM 0 HA LEU A 39 6.222 9.109 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.023 9.701 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.114 8.191 3.212 1.00 0.00 H new ATOM 0 HG LEU A 39 7.082 7.197 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.957 8.294 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.759 9.305 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.495 9.670 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.462 6.773 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.980 8.095 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.242 6.629 2.072 1.00 0.00 H new ATOM 644 N GLU A 40 4.077 10.188 2.608 1.00 0.00 N ATOM 645 CA GLU A 40 3.170 11.273 2.227 1.00 0.00 C ATOM 646 C GLU A 40 2.600 11.980 3.471 1.00 0.00 C ATOM 647 O GLU A 40 3.223 11.955 4.538 1.00 0.00 O ATOM 648 CB GLU A 40 2.105 10.727 1.270 1.00 0.00 C ATOM 649 CG GLU A 40 2.643 10.151 -0.033 1.00 0.00 C ATOM 650 CD GLU A 40 2.946 11.249 -1.058 1.00 0.00 C ATOM 651 OE1 GLU A 40 3.882 12.060 -0.834 1.00 0.00 O ATOM 652 OE2 GLU A 40 2.245 11.321 -2.087 1.00 0.00 O ATOM 0 H GLU A 40 3.593 9.428 3.087 1.00 0.00 H new ATOM 0 HA GLU A 40 3.712 12.049 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.538 9.952 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.406 11.529 1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.550 9.581 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.916 9.455 -0.450 1.00 0.00 H new ATOM 659 N GLU A 41 1.482 12.692 3.328 1.00 0.00 N ATOM 660 CA GLU A 41 1.033 13.805 4.169 1.00 0.00 C ATOM 661 C GLU A 41 -0.323 13.607 4.850 1.00 0.00 C ATOM 662 O GLU A 41 -1.061 14.568 5.077 1.00 0.00 O ATOM 663 CB GLU A 41 1.045 15.088 3.311 1.00 0.00 C ATOM 664 CG GLU A 41 0.087 15.037 2.102 1.00 0.00 C ATOM 665 CD GLU A 41 -0.695 16.336 1.880 1.00 0.00 C ATOM 666 OE1 GLU A 41 -1.747 16.572 2.515 1.00 0.00 O ATOM 667 OE2 GLU A 41 -0.310 17.132 0.981 1.00 0.00 O ATOM 0 H GLU A 41 0.823 12.495 2.574 1.00 0.00 H new ATOM 0 HA GLU A 41 1.730 13.875 5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.777 15.937 3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.059 15.265 2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.662 14.811 1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.619 14.218 2.243 1.00 0.00 H new ATOM 674 N LEU A 42 -0.577 12.376 5.284 1.00 0.00 N ATOM 675 CA LEU A 42 -1.883 11.855 5.692 1.00 0.00 C ATOM 676 C LEU A 42 -1.661 10.399 6.117 1.00 0.00 C ATOM 677 O LEU A 42 -0.521 9.921 6.219 1.00 0.00 O ATOM 678 CB LEU A 42 -2.840 11.927 4.484 1.00 0.00 C ATOM 679 CG LEU A 42 -3.813 13.118 4.394 1.00 0.00 C ATOM 680 CD1 LEU A 42 -3.783 13.665 2.956 1.00 0.00 C ATOM 681 CD2 LEU A 42 -5.275 12.810 4.733 1.00 0.00 C ATOM 0 H LEU A 42 0.160 11.676 5.366 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.318 12.427 6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.233 11.924 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.432 11.012 4.474 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.465 13.827 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.467 14.510 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.772 13.991 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.089 12.882 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.870 13.718 4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.656 12.053 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.341 12.439 5.756 1.00 0.00 H new ATOM 693 N GLU A 43 -2.746 9.678 6.377 1.00 0.00 N ATOM 694 CA GLU A 43 -2.774 8.267 6.727 1.00 0.00 C ATOM 695 C GLU A 43 -4.169 7.716 6.397 1.00 0.00 C ATOM 696 O GLU A 43 -5.071 8.467 6.027 1.00 0.00 O ATOM 697 CB GLU A 43 -2.427 8.090 8.222 1.00 0.00 C ATOM 698 CG GLU A 43 -3.376 8.906 9.105 1.00 0.00 C ATOM 699 CD GLU A 43 -3.145 8.803 10.609 1.00 0.00 C ATOM 700 OE1 GLU A 43 -2.275 8.066 11.110 1.00 0.00 O ATOM 701 OE2 GLU A 43 -3.936 9.463 11.322 1.00 0.00 O ATOM 0 H GLU A 43 -3.680 10.087 6.347 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.031 7.711 6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.490 7.036 8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.398 8.404 8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.298 9.954 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.398 8.592 8.892 1.00 0.00 H new ATOM 708 N THR A 44 -4.367 6.417 6.560 1.00 0.00 N ATOM 709 CA THR A 44 -5.635 5.689 6.538 1.00 0.00 C ATOM 710 C THR A 44 -5.795 4.971 7.881 1.00 0.00 C ATOM 711 O THR A 44 -4.813 4.501 8.456 1.00 0.00 O ATOM 712 CB THR A 44 -5.725 4.730 5.332 1.00 0.00 C ATOM 713 OG1 THR A 44 -7.035 4.247 5.064 1.00 0.00 O ATOM 714 CG2 THR A 44 -4.844 3.542 5.536 1.00 0.00 C ATOM 0 H THR A 44 -3.581 5.788 6.725 1.00 0.00 H new ATOM 0 HA THR A 44 -6.463 6.386 6.408 1.00 0.00 H new ATOM 0 HB THR A 44 -5.406 5.330 4.480 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.011 3.649 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.922 2.879 4.675 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.811 3.870 5.648 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.155 3.008 6.434 1.00 0.00 H new ATOM 722 N PRO A 45 -7.038 4.810 8.350 1.00 0.00 N ATOM 723 CA PRO A 45 -7.365 3.870 9.399 1.00 0.00 C ATOM 724 C PRO A 45 -7.471 2.406 8.912 1.00 0.00 C ATOM 725 O PRO A 45 -7.714 1.514 9.727 1.00 0.00 O ATOM 726 CB PRO A 45 -8.676 4.401 9.962 1.00 0.00 C ATOM 727 CG PRO A 45 -9.365 5.120 8.807 1.00 0.00 C ATOM 728 CD PRO A 45 -8.203 5.577 7.948 1.00 0.00 C ATOM 0 HA PRO A 45 -6.577 3.812 10.150 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -9.296 3.589 10.342 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.497 5.081 10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.034 4.456 8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.965 5.961 9.155 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.421 5.419 6.892 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.024 6.644 8.080 1.00 0.00 H new ATOM 736 N ALA A 46 -7.281 2.144 7.613 1.00 0.00 N ATOM 737 CA ALA A 46 -7.336 0.831 6.959 1.00 0.00 C ATOM 738 C ALA A 46 -6.032 0.047 7.207 1.00 0.00 C ATOM 739 O ALA A 46 -5.129 0.573 7.860 1.00 0.00 O ATOM 740 CB ALA A 46 -7.496 1.071 5.459 1.00 0.00 C ATOM 0 H ALA A 46 -7.072 2.890 6.949 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.167 0.251 7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.540 0.114 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.416 1.626 5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.646 1.645 5.090 1.00 0.00 H new ATOM 746 N LYS A 47 -5.861 -1.178 6.687 1.00 0.00 N ATOM 747 CA LYS A 47 -4.577 -1.881 6.789 1.00 0.00 C ATOM 748 C LYS A 47 -3.632 -1.311 5.737 1.00 0.00 C ATOM 749 O LYS A 47 -4.072 -1.117 4.602 1.00 0.00 O ATOM 750 CB LYS A 47 -4.773 -3.386 6.546 1.00 0.00 C ATOM 751 CG LYS A 47 -5.419 -4.057 7.760 1.00 0.00 C ATOM 752 CD LYS A 47 -5.694 -5.564 7.612 1.00 0.00 C ATOM 753 CE LYS A 47 -4.805 -6.425 8.523 1.00 0.00 C ATOM 754 NZ LYS A 47 -5.366 -7.764 8.817 1.00 0.00 N ATOM 0 H LYS A 47 -6.589 -1.697 6.196 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.161 -1.744 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.398 -3.538 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.810 -3.853 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.772 -3.906 8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.361 -3.552 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.741 -5.762 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.535 -5.857 6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.829 -6.546 8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.643 -5.896 9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.713 -8.286 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.284 -7.659 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.495 -8.289 7.929 1.00 0.00 H new ATOM 768 N VAL A 48 -2.371 -1.062 6.096 1.00 0.00 N ATOM 769 CA VAL A 48 -1.361 -0.445 5.252 1.00 0.00 C ATOM 770 C VAL A 48 -0.076 -1.177 5.538 1.00 0.00 C ATOM 771 O VAL A 48 0.304 -1.327 6.697 1.00 0.00 O ATOM 772 CB VAL A 48 -1.214 1.049 5.577 1.00 0.00 C ATOM 773 CG1 VAL A 48 -0.200 1.779 4.688 1.00 0.00 C ATOM 774 CG2 VAL A 48 -2.559 1.725 5.390 1.00 0.00 C ATOM 0 H VAL A 48 -2.017 -1.297 7.023 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.633 -0.512 4.199 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.853 1.106 6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.152 2.829 4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.783 1.324 4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.510 1.704 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.467 2.787 5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.887 1.602 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.290 1.272 6.060 1.00 0.00 H new ATOM 784 N TYR A 49 0.543 -1.683 4.481 1.00 0.00 N ATOM 785 CA TYR A 49 1.623 -2.638 4.552 1.00 0.00 C ATOM 786 C TYR A 49 2.320 -2.614 3.196 1.00 0.00 C ATOM 787 O TYR A 49 1.743 -3.005 2.188 1.00 0.00 O ATOM 788 CB TYR A 49 1.035 -4.025 4.800 1.00 0.00 C ATOM 789 CG TYR A 49 0.427 -4.309 6.173 1.00 0.00 C ATOM 790 CD1 TYR A 49 1.302 -4.454 7.266 1.00 0.00 C ATOM 791 CD2 TYR A 49 -0.968 -4.441 6.392 1.00 0.00 C ATOM 792 CE1 TYR A 49 0.831 -4.686 8.562 1.00 0.00 C ATOM 793 CE2 TYR A 49 -1.448 -4.734 7.684 1.00 0.00 C ATOM 794 CZ TYR A 49 -0.553 -4.831 8.775 1.00 0.00 C ATOM 795 OH TYR A 49 -0.996 -5.117 10.030 1.00 0.00 O ATOM 0 H TYR A 49 0.295 -1.428 3.525 1.00 0.00 H new ATOM 0 HA TYR A 49 2.322 -2.399 5.354 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.264 -4.200 4.050 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.822 -4.758 4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.367 -4.384 7.099 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.660 -4.317 5.572 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.521 -4.753 9.390 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.506 -4.885 7.842 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.973 -5.187 10.024 1.00 0.00 H new ATOM 805 N ALA A 50 3.538 -2.103 3.128 1.00 0.00 N ATOM 806 CA ALA A 50 4.251 -1.956 1.870 1.00 0.00 C ATOM 807 C ALA A 50 5.176 -3.174 1.683 1.00 0.00 C ATOM 808 O ALA A 50 5.667 -3.720 2.672 1.00 0.00 O ATOM 809 CB ALA A 50 4.945 -0.601 1.946 1.00 0.00 C ATOM 0 H ALA A 50 4.060 -1.779 3.942 1.00 0.00 H new ATOM 0 HA ALA A 50 3.619 -1.953 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.503 -0.426 1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.199 0.183 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.630 -0.590 2.794 1.00 0.00 H new ATOM 815 N ILE A 51 5.434 -3.619 0.449 1.00 0.00 N ATOM 816 CA ILE A 51 6.289 -4.771 0.176 1.00 0.00 C ATOM 817 C ILE A 51 7.742 -4.357 0.277 1.00 0.00 C ATOM 818 O ILE A 51 8.254 -3.587 -0.538 1.00 0.00 O ATOM 819 CB ILE A 51 5.953 -5.428 -1.185 1.00 0.00 C ATOM 820 CG1 ILE A 51 4.529 -6.008 -1.256 1.00 0.00 C ATOM 821 CG2 ILE A 51 6.971 -6.529 -1.536 1.00 0.00 C ATOM 822 CD1 ILE A 51 4.162 -7.040 -0.193 1.00 0.00 C ATOM 0 H ILE A 51 5.052 -3.185 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 51 6.100 -5.538 0.928 1.00 0.00 H new ATOM 0 HB ILE A 51 6.010 -4.622 -1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.820 -5.182 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.395 -6.465 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.710 -6.973 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.969 -6.096 -1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.955 -7.299 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.136 -7.373 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.836 -7.894 -0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.252 -6.591 0.796 1.00 0.00 H new ATOM 834 N LYS A 52 8.412 -4.909 1.284 1.00 0.00 N ATOM 835 CA LYS A 52 9.820 -4.727 1.565 1.00 0.00 C ATOM 836 C LYS A 52 10.653 -4.971 0.323 1.00 0.00 C ATOM 837 O LYS A 52 11.434 -4.106 -0.037 1.00 0.00 O ATOM 838 CB LYS A 52 10.198 -5.613 2.762 1.00 0.00 C ATOM 839 CG LYS A 52 11.563 -5.235 3.351 1.00 0.00 C ATOM 840 CD LYS A 52 11.709 -5.707 4.803 1.00 0.00 C ATOM 841 CE LYS A 52 11.764 -7.231 4.936 1.00 0.00 C ATOM 842 NZ LYS A 52 11.819 -7.652 6.349 1.00 0.00 N ATOM 0 H LYS A 52 7.958 -5.526 1.957 1.00 0.00 H new ATOM 0 HA LYS A 52 10.032 -3.695 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.433 -5.524 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.215 -6.657 2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.355 -5.675 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.691 -4.153 3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.616 -5.278 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.872 -5.327 5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.888 -7.670 4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.639 -7.611 4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.855 -8.690 6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.668 -7.253 6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.972 -7.310 6.846 1.00 0.00 H new ATOM 856 N ASP A 53 10.443 -6.093 -0.360 1.00 0.00 N ATOM 857 CA ASP A 53 11.123 -6.455 -1.608 1.00 0.00 C ATOM 858 C ASP A 53 11.101 -5.301 -2.606 1.00 0.00 C ATOM 859 O ASP A 53 12.140 -4.915 -3.131 1.00 0.00 O ATOM 860 CB ASP A 53 10.423 -7.690 -2.219 1.00 0.00 C ATOM 861 CG ASP A 53 11.410 -8.814 -2.499 1.00 0.00 C ATOM 862 OD1 ASP A 53 11.611 -9.652 -1.589 1.00 0.00 O ATOM 863 OD2 ASP A 53 11.891 -8.932 -3.645 1.00 0.00 O ATOM 0 H ASP A 53 9.775 -6.800 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 53 12.165 -6.683 -1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.651 -8.045 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.924 -7.405 -3.145 1.00 0.00 H new ATOM 868 N ASP A 54 9.927 -4.713 -2.837 1.00 0.00 N ATOM 869 CA ASP A 54 9.745 -3.619 -3.777 1.00 0.00 C ATOM 870 C ASP A 54 10.428 -2.355 -3.256 1.00 0.00 C ATOM 871 O ASP A 54 11.162 -1.723 -4.005 1.00 0.00 O ATOM 872 CB ASP A 54 8.257 -3.376 -4.033 1.00 0.00 C ATOM 873 CG ASP A 54 7.678 -4.409 -5.001 1.00 0.00 C ATOM 874 OD1 ASP A 54 7.743 -4.176 -6.230 1.00 0.00 O ATOM 875 OD2 ASP A 54 7.098 -5.410 -4.545 1.00 0.00 O ATOM 0 H ASP A 54 9.066 -4.991 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 54 10.209 -3.889 -4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.713 -3.416 -3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.116 -2.375 -4.440 1.00 0.00 H new ATOM 880 N PHE A 55 10.252 -2.002 -1.979 1.00 0.00 N ATOM 881 CA PHE A 55 10.884 -0.846 -1.331 1.00 0.00 C ATOM 882 C PHE A 55 12.411 -0.919 -1.452 1.00 0.00 C ATOM 883 O PHE A 55 13.094 0.076 -1.701 1.00 0.00 O ATOM 884 CB PHE A 55 10.479 -0.803 0.158 1.00 0.00 C ATOM 885 CG PHE A 55 10.296 0.567 0.805 1.00 0.00 C ATOM 886 CD1 PHE A 55 9.066 1.241 0.723 1.00 0.00 C ATOM 887 CD2 PHE A 55 11.336 1.193 1.511 1.00 0.00 C ATOM 888 CE1 PHE A 55 8.922 2.563 1.177 1.00 0.00 C ATOM 889 CE2 PHE A 55 11.181 2.501 1.999 1.00 0.00 C ATOM 890 CZ PHE A 55 9.998 3.219 1.785 1.00 0.00 C ATOM 0 H PHE A 55 9.648 -2.528 -1.348 1.00 0.00 H new ATOM 0 HA PHE A 55 10.544 0.061 -1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.544 -1.353 0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.235 -1.344 0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.212 0.732 0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.263 0.664 1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.978 3.074 1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.989 2.961 2.549 1.00 0.00 H new ATOM 0 HZ PHE A 55 9.918 4.254 2.082 1.00 0.00 H new ATOM 900 N LEU A 56 12.969 -2.110 -1.251 1.00 0.00 N ATOM 901 CA LEU A 56 14.383 -2.429 -1.382 1.00 0.00 C ATOM 902 C LEU A 56 14.825 -2.261 -2.818 1.00 0.00 C ATOM 903 O LEU A 56 15.820 -1.592 -3.098 1.00 0.00 O ATOM 904 CB LEU A 56 14.619 -3.864 -0.911 1.00 0.00 C ATOM 905 CG LEU A 56 14.476 -4.044 0.607 1.00 0.00 C ATOM 906 CD1 LEU A 56 14.462 -5.545 0.930 1.00 0.00 C ATOM 907 CD2 LEU A 56 15.629 -3.408 1.400 1.00 0.00 C ATOM 0 H LEU A 56 12.414 -2.921 -0.977 1.00 0.00 H new ATOM 0 HA LEU A 56 14.970 -1.749 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.913 -4.524 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.618 -4.177 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 56 13.550 -3.548 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.361 -5.685 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.622 -6.019 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.393 -5.999 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.470 -3.569 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.572 -3.865 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.664 -2.338 1.196 1.00 0.00 H new ATOM 919 N ALA A 57 14.032 -2.813 -3.729 1.00 0.00 N ATOM 920 CA ALA A 57 14.257 -2.708 -5.145 1.00 0.00 C ATOM 921 C ALA A 57 14.130 -1.259 -5.617 1.00 0.00 C ATOM 922 O ALA A 57 14.537 -0.962 -6.740 1.00 0.00 O ATOM 923 CB ALA A 57 13.264 -3.625 -5.863 1.00 0.00 C ATOM 0 H ALA A 57 13.202 -3.354 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 57 15.273 -3.023 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.420 -3.558 -6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.418 -4.654 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.246 -3.317 -5.624 1.00 0.00 H new ATOM 929 N ARG A 58 13.619 -0.339 -4.780 1.00 0.00 N ATOM 930 CA ARG A 58 13.459 1.063 -5.166 1.00 0.00 C ATOM 931 C ARG A 58 14.513 1.931 -4.481 1.00 0.00 C ATOM 932 O ARG A 58 14.272 3.116 -4.275 1.00 0.00 O ATOM 933 CB ARG A 58 12.018 1.485 -4.762 1.00 0.00 C ATOM 934 CG ARG A 58 11.162 2.062 -5.904 1.00 0.00 C ATOM 935 CD ARG A 58 10.931 3.573 -5.768 1.00 0.00 C ATOM 936 NE ARG A 58 12.194 4.322 -5.781 1.00 0.00 N ATOM 937 CZ ARG A 58 12.987 4.544 -6.831 1.00 0.00 C ATOM 938 NH1 ARG A 58 12.615 4.180 -8.057 1.00 0.00 N ATOM 939 NH2 ARG A 58 14.164 5.115 -6.624 1.00 0.00 N ATOM 0 H ARG A 58 13.311 -0.548 -3.830 1.00 0.00 H new ATOM 0 HA ARG A 58 13.600 1.194 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.505 0.617 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.083 2.228 -3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.650 1.858 -6.857 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.199 1.552 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.296 3.918 -6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.397 3.777 -4.840 1.00 0.00 H new ATOM 0 HE ARG A 58 12.498 4.715 -4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.714 3.725 -8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.231 4.356 -8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.446 5.374 -5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.789 5.295 -7.410 1.00 0.00 H new ATOM 953 N GLY A 59 15.739 1.431 -4.302 1.00 0.00 N ATOM 954 CA GLY A 59 16.838 2.200 -3.723 1.00 0.00 C ATOM 955 C GLY A 59 16.429 3.010 -2.481 1.00 0.00 C ATOM 956 O GLY A 59 16.797 4.182 -2.375 1.00 0.00 O ATOM 0 H GLY A 59 15.996 0.477 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.646 1.519 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.233 2.880 -4.478 1.00 0.00 H new ATOM 960 N TYR A 60 15.660 2.418 -1.557 1.00 0.00 N ATOM 961 CA TYR A 60 15.274 3.054 -0.288 1.00 0.00 C ATOM 962 C TYR A 60 15.934 2.286 0.857 1.00 0.00 C ATOM 963 O TYR A 60 16.583 1.258 0.613 1.00 0.00 O ATOM 964 CB TYR A 60 13.743 3.074 -0.145 1.00 0.00 C ATOM 965 CG TYR A 60 13.046 4.334 -0.616 1.00 0.00 C ATOM 966 CD1 TYR A 60 12.617 4.472 -1.946 1.00 0.00 C ATOM 967 CD2 TYR A 60 12.755 5.350 0.308 1.00 0.00 C ATOM 968 CE1 TYR A 60 11.951 5.635 -2.368 1.00 0.00 C ATOM 969 CE2 TYR A 60 12.161 6.546 -0.113 1.00 0.00 C ATOM 970 CZ TYR A 60 11.757 6.692 -1.458 1.00 0.00 C ATOM 971 OH TYR A 60 11.196 7.852 -1.880 1.00 0.00 O ATOM 0 H TYR A 60 15.285 1.476 -1.669 1.00 0.00 H new ATOM 0 HA TYR A 60 15.613 4.090 -0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.336 2.229 -0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.494 2.916 0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.801 3.676 -2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.991 5.208 1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 60 11.591 5.718 -3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.012 7.354 0.588 1.00 0.00 H new ATOM 0 HH TYR A 60 11.132 8.477 -1.128 1.00 0.00 H new ATOM 981 N SER A 61 15.707 2.683 2.107 1.00 0.00 N ATOM 982 CA SER A 61 16.069 1.885 3.260 1.00 0.00 C ATOM 983 C SER A 61 14.869 1.748 4.184 1.00 0.00 C ATOM 984 O SER A 61 13.855 2.426 4.025 1.00 0.00 O ATOM 985 CB SER A 61 17.329 2.492 3.885 1.00 0.00 C ATOM 986 OG SER A 61 17.126 3.785 4.430 1.00 0.00 O ATOM 0 H SER A 61 15.265 3.572 2.342 1.00 0.00 H new ATOM 0 HA SER A 61 16.328 0.859 2.997 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.691 1.828 4.671 1.00 0.00 H new ATOM 0 HB3 SER A 61 18.111 2.545 3.127 1.00 0.00 H new ATOM 0 HG SER A 61 16.240 4.114 4.171 1.00 0.00 H new ATOM 992 N GLU A 62 14.948 0.797 5.101 1.00 0.00 N ATOM 993 CA GLU A 62 13.787 0.270 5.786 1.00 0.00 C ATOM 994 C GLU A 62 13.260 1.288 6.800 1.00 0.00 C ATOM 995 O GLU A 62 12.059 1.323 7.071 1.00 0.00 O ATOM 996 CB GLU A 62 14.180 -1.069 6.423 1.00 0.00 C ATOM 997 CG GLU A 62 14.598 -2.091 5.349 1.00 0.00 C ATOM 998 CD GLU A 62 15.466 -3.201 5.929 1.00 0.00 C ATOM 999 OE1 GLU A 62 14.947 -4.037 6.693 1.00 0.00 O ATOM 1000 OE2 GLU A 62 16.695 -3.156 5.630 1.00 0.00 O ATOM 0 H GLU A 62 15.827 0.369 5.390 1.00 0.00 H new ATOM 0 HA GLU A 62 12.967 0.090 5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.001 -0.915 7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.341 -1.462 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.707 -2.526 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.143 -1.581 4.555 1.00 0.00 H new ATOM 1007 N GLU A 63 14.132 2.164 7.309 1.00 0.00 N ATOM 1008 CA GLU A 63 13.743 3.262 8.180 1.00 0.00 C ATOM 1009 C GLU A 63 12.981 4.351 7.419 1.00 0.00 C ATOM 1010 O GLU A 63 12.231 5.113 8.039 1.00 0.00 O ATOM 1011 CB GLU A 63 14.996 3.884 8.816 1.00 0.00 C ATOM 1012 CG GLU A 63 14.750 4.368 10.249 1.00 0.00 C ATOM 1013 CD GLU A 63 14.902 3.211 11.232 1.00 0.00 C ATOM 1014 OE1 GLU A 63 13.887 2.509 11.482 1.00 0.00 O ATOM 1015 OE2 GLU A 63 16.023 2.968 11.714 1.00 0.00 O ATOM 0 H GLU A 63 15.134 2.125 7.123 1.00 0.00 H new ATOM 0 HA GLU A 63 13.084 2.856 8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.801 3.149 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.331 4.723 8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.455 5.161 10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.750 4.794 10.330 1.00 0.00 H new ATOM 1022 N ASP A 64 13.179 4.466 6.099 1.00 0.00 N ATOM 1023 CA ASP A 64 12.584 5.538 5.301 1.00 0.00 C ATOM 1024 C ASP A 64 11.067 5.352 5.215 1.00 0.00 C ATOM 1025 O ASP A 64 10.333 6.329 5.091 1.00 0.00 O ATOM 1026 CB ASP A 64 13.119 5.606 3.869 1.00 0.00 C ATOM 1027 CG ASP A 64 14.577 6.027 3.700 1.00 0.00 C ATOM 1028 OD1 ASP A 64 14.937 7.172 4.046 1.00 0.00 O ATOM 1029 OD2 ASP A 64 15.364 5.233 3.132 1.00 0.00 O ATOM 0 H ASP A 64 13.754 3.820 5.559 1.00 0.00 H new ATOM 0 HA ASP A 64 12.852 6.463 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.993 4.624 3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.497 6.302 3.306 1.00 0.00 H new ATOM 1034 N SER A 65 10.563 4.118 5.319 1.00 0.00 N ATOM 1035 CA SER A 65 9.150 3.831 5.120 1.00 0.00 C ATOM 1036 C SER A 65 8.373 4.199 6.382 1.00 0.00 C ATOM 1037 O SER A 65 8.634 3.630 7.446 1.00 0.00 O ATOM 1038 CB SER A 65 8.969 2.332 4.858 1.00 0.00 C ATOM 1039 OG SER A 65 7.600 1.962 4.783 1.00 0.00 O ATOM 0 H SER A 65 11.126 3.297 5.543 1.00 0.00 H new ATOM 0 HA SER A 65 8.782 4.409 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.467 2.065 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.454 1.765 5.653 1.00 0.00 H new ATOM 0 HG SER A 65 7.346 1.483 5.599 1.00 0.00 H new ATOM 1045 N LYS A 66 7.362 5.071 6.287 1.00 0.00 N ATOM 1046 CA LYS A 66 6.496 5.348 7.438 1.00 0.00 C ATOM 1047 C LYS A 66 5.304 4.389 7.488 1.00 0.00 C ATOM 1048 O LYS A 66 4.222 4.783 7.926 1.00 0.00 O ATOM 1049 CB LYS A 66 6.056 6.830 7.399 1.00 0.00 C ATOM 1050 CG LYS A 66 5.112 7.237 6.253 1.00 0.00 C ATOM 1051 CD LYS A 66 4.121 8.350 6.613 1.00 0.00 C ATOM 1052 CE LYS A 66 3.133 8.576 5.451 1.00 0.00 C ATOM 1053 NZ LYS A 66 1.742 8.249 5.840 1.00 0.00 N ATOM 0 H LYS A 66 7.126 5.589 5.440 1.00 0.00 H new ATOM 0 HA LYS A 66 7.056 5.179 8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.566 7.065 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.951 7.450 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.712 7.562 5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.552 6.359 5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.575 8.083 7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.660 9.273 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.185 9.615 5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.426 7.962 4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.321 7.619 5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.743 7.774 6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.184 9.124 5.901 1.00 0.00 H new ATOM 1067 N VAL A 67 5.490 3.119 7.115 1.00 0.00 N ATOM 1068 CA VAL A 67 4.484 2.065 7.218 1.00 0.00 C ATOM 1069 C VAL A 67 5.246 0.738 7.345 1.00 0.00 C ATOM 1070 O VAL A 67 6.432 0.676 6.990 1.00 0.00 O ATOM 1071 CB VAL A 67 3.481 2.073 6.023 1.00 0.00 C ATOM 1072 CG1 VAL A 67 3.096 3.456 5.485 1.00 0.00 C ATOM 1073 CG2 VAL A 67 3.911 1.179 4.849 1.00 0.00 C ATOM 0 H VAL A 67 6.372 2.789 6.722 1.00 0.00 H new ATOM 0 HA VAL A 67 3.854 2.225 8.093 1.00 0.00 H new ATOM 0 HB VAL A 67 2.588 1.654 6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.396 3.342 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.628 4.038 6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.990 3.972 5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.165 1.236 4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.873 1.519 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.000 0.148 5.191 1.00 0.00 H new ATOM 1083 N PRO A 68 4.576 -0.337 7.786 1.00 0.00 N ATOM 1084 CA PRO A 68 5.210 -1.622 7.998 1.00 0.00 C ATOM 1085 C PRO A 68 5.590 -2.254 6.666 1.00 0.00 C ATOM 1086 O PRO A 68 4.809 -2.252 5.709 1.00 0.00 O ATOM 1087 CB PRO A 68 4.218 -2.463 8.803 1.00 0.00 C ATOM 1088 CG PRO A 68 2.876 -1.827 8.477 1.00 0.00 C ATOM 1089 CD PRO A 68 3.167 -0.390 8.117 1.00 0.00 C ATOM 0 HA PRO A 68 6.145 -1.535 8.551 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.248 -3.512 8.509 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.432 -2.425 9.871 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.391 -2.345 7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.200 -1.885 9.330 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.556 -0.068 7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.937 0.275 8.950 1.00 0.00 H new ATOM 1097 N LEU A 69 6.801 -2.800 6.631 1.00 0.00 N ATOM 1098 CA LEU A 69 7.452 -3.332 5.451 1.00 0.00 C ATOM 1099 C LEU A 69 7.372 -4.843 5.514 1.00 0.00 C ATOM 1100 O LEU A 69 8.184 -5.491 6.171 1.00 0.00 O ATOM 1101 CB LEU A 69 8.904 -2.820 5.387 1.00 0.00 C ATOM 1102 CG LEU A 69 9.114 -1.336 5.051 1.00 0.00 C ATOM 1103 CD1 LEU A 69 10.612 -1.012 5.102 1.00 0.00 C ATOM 1104 CD2 LEU A 69 8.570 -1.023 3.659 1.00 0.00 C ATOM 0 H LEU A 69 7.378 -2.885 7.468 1.00 0.00 H new ATOM 0 HA LEU A 69 6.959 -2.998 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.374 -3.017 6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.438 -3.413 4.644 1.00 0.00 H new ATOM 0 HG LEU A 69 8.579 -0.728 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.765 0.041 4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.995 -1.217 6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.143 -1.629 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.726 0.032 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.091 -1.631 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.504 -1.246 3.626 1.00 0.00 H new ATOM 1116 N ILE A 70 6.367 -5.393 4.842 1.00 0.00 N ATOM 1117 CA ILE A 70 6.011 -6.802 4.877 1.00 0.00 C ATOM 1118 C ILE A 70 6.663 -7.536 3.703 1.00 0.00 C ATOM 1119 O ILE A 70 7.134 -6.904 2.757 1.00 0.00 O ATOM 1120 CB ILE A 70 4.474 -6.935 4.888 1.00 0.00 C ATOM 1121 CG1 ILE A 70 3.772 -6.695 3.531 1.00 0.00 C ATOM 1122 CG2 ILE A 70 3.879 -6.070 6.005 1.00 0.00 C ATOM 1123 CD1 ILE A 70 2.308 -7.139 3.510 1.00 0.00 C ATOM 0 H ILE A 70 5.756 -4.846 4.235 1.00 0.00 H new ATOM 0 HA ILE A 70 6.388 -7.270 5.786 1.00 0.00 H new ATOM 0 HB ILE A 70 4.273 -7.987 5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.824 -5.634 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.316 -7.228 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.794 -6.171 6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.273 -6.397 6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.146 -5.026 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.881 -6.940 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.248 -8.207 3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.750 -6.587 4.266 1.00 0.00 H new ATOM 1135 N THR A 71 6.652 -8.867 3.709 1.00 0.00 N ATOM 1136 CA THR A 71 7.053 -9.633 2.535 1.00 0.00 C ATOM 1137 C THR A 71 5.837 -9.916 1.638 1.00 0.00 C ATOM 1138 O THR A 71 4.702 -9.823 2.103 1.00 0.00 O ATOM 1139 CB THR A 71 7.773 -10.913 2.975 1.00 0.00 C ATOM 1140 OG1 THR A 71 7.199 -11.565 4.099 1.00 0.00 O ATOM 1141 CG2 THR A 71 9.227 -10.588 3.326 1.00 0.00 C ATOM 0 H THR A 71 6.371 -9.433 4.510 1.00 0.00 H new ATOM 0 HA THR A 71 7.755 -9.052 1.936 1.00 0.00 H new ATOM 0 HB THR A 71 7.685 -11.593 2.127 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.717 -12.370 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.738 -11.499 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.728 -10.173 2.452 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.252 -9.861 4.138 1.00 0.00 H new ATOM 1149 N TYR A 72 6.049 -10.357 0.389 1.00 0.00 N ATOM 1150 CA TYR A 72 4.975 -10.779 -0.520 1.00 0.00 C ATOM 1151 C TYR A 72 3.995 -11.723 0.175 1.00 0.00 C ATOM 1152 O TYR A 72 2.790 -11.534 0.082 1.00 0.00 O ATOM 1153 CB TYR A 72 5.558 -11.520 -1.739 1.00 0.00 C ATOM 1154 CG TYR A 72 5.851 -10.773 -3.028 1.00 0.00 C ATOM 1155 CD1 TYR A 72 5.700 -9.379 -3.195 1.00 0.00 C ATOM 1156 CD2 TYR A 72 6.245 -11.554 -4.125 1.00 0.00 C ATOM 1157 CE1 TYR A 72 5.932 -8.777 -4.452 1.00 0.00 C ATOM 1158 CE2 TYR A 72 6.455 -10.971 -5.378 1.00 0.00 C ATOM 1159 CZ TYR A 72 6.276 -9.585 -5.558 1.00 0.00 C ATOM 1160 OH TYR A 72 6.423 -9.051 -6.801 1.00 0.00 O ATOM 0 H TYR A 72 6.980 -10.431 -0.021 1.00 0.00 H new ATOM 0 HA TYR A 72 4.454 -9.875 -0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.490 -11.984 -1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.868 -12.327 -1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.405 -8.768 -2.355 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.388 -12.617 -4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.847 -7.706 -4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.756 -11.586 -6.213 1.00 0.00 H new ATOM 0 HH TYR A 72 6.662 -9.759 -7.435 1.00 0.00 H new ATOM 1170 N SER A 73 4.487 -12.736 0.883 1.00 0.00 N ATOM 1171 CA SER A 73 3.611 -13.746 1.457 1.00 0.00 C ATOM 1172 C SER A 73 2.687 -13.172 2.533 1.00 0.00 C ATOM 1173 O SER A 73 1.577 -13.672 2.714 1.00 0.00 O ATOM 1174 CB SER A 73 4.454 -14.863 2.056 1.00 0.00 C ATOM 1175 OG SER A 73 5.582 -15.133 1.229 1.00 0.00 O ATOM 0 H SER A 73 5.480 -12.877 1.071 1.00 0.00 H new ATOM 0 HA SER A 73 2.980 -14.129 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.787 -14.580 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.851 -15.764 2.164 1.00 0.00 H new ATOM 0 HG SER A 73 6.115 -15.852 1.628 1.00 0.00 H new ATOM 1181 N GLU A 74 3.124 -12.110 3.211 1.00 0.00 N ATOM 1182 CA GLU A 74 2.337 -11.414 4.208 1.00 0.00 C ATOM 1183 C GLU A 74 1.248 -10.575 3.551 1.00 0.00 C ATOM 1184 O GLU A 74 0.279 -10.246 4.231 1.00 0.00 O ATOM 1185 CB GLU A 74 3.235 -10.518 5.072 1.00 0.00 C ATOM 1186 CG GLU A 74 3.784 -11.261 6.294 1.00 0.00 C ATOM 1187 CD GLU A 74 4.084 -10.299 7.449 1.00 0.00 C ATOM 1188 OE1 GLU A 74 3.203 -9.485 7.811 1.00 0.00 O ATOM 1189 OE2 GLU A 74 5.202 -10.370 8.003 1.00 0.00 O ATOM 0 H GLU A 74 4.052 -11.709 3.074 1.00 0.00 H new ATOM 0 HA GLU A 74 1.864 -12.162 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.065 -10.148 4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.668 -9.647 5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.062 -12.009 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.693 -11.795 6.018 1.00 0.00 H new ATOM 1196 N PHE A 75 1.403 -10.201 2.275 1.00 0.00 N ATOM 1197 CA PHE A 75 0.375 -9.494 1.529 1.00 0.00 C ATOM 1198 C PHE A 75 -0.708 -10.503 1.196 1.00 0.00 C ATOM 1199 O PHE A 75 -1.861 -10.218 1.473 1.00 0.00 O ATOM 1200 CB PHE A 75 0.965 -8.827 0.275 1.00 0.00 C ATOM 1201 CG PHE A 75 0.027 -8.431 -0.858 1.00 0.00 C ATOM 1202 CD1 PHE A 75 -1.202 -7.786 -0.614 1.00 0.00 C ATOM 1203 CD2 PHE A 75 0.447 -8.626 -2.190 1.00 0.00 C ATOM 1204 CE1 PHE A 75 -1.963 -7.271 -1.680 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.334 -8.149 -3.256 1.00 0.00 C ATOM 1206 CZ PHE A 75 -1.528 -7.456 -3.003 1.00 0.00 C ATOM 0 H PHE A 75 2.250 -10.384 1.737 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.051 -8.682 2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.491 -7.928 0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.713 -9.504 -0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.563 -7.686 0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.373 -9.144 -2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.879 -6.735 -1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.014 -8.316 -4.274 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.111 -7.066 -3.824 1.00 0.00 H new ATOM 1216 N ILE A 76 -0.352 -11.679 0.662 1.00 0.00 N ATOM 1217 CA ILE A 76 -1.299 -12.709 0.220 1.00 0.00 C ATOM 1218 C ILE A 76 -2.314 -13.050 1.313 1.00 0.00 C ATOM 1219 O ILE A 76 -3.490 -13.180 0.978 1.00 0.00 O ATOM 1220 CB ILE A 76 -0.533 -13.954 -0.298 1.00 0.00 C ATOM 1221 CG1 ILE A 76 0.429 -13.609 -1.460 1.00 0.00 C ATOM 1222 CG2 ILE A 76 -1.505 -15.070 -0.738 1.00 0.00 C ATOM 1223 CD1 ILE A 76 -0.146 -12.758 -2.599 1.00 0.00 C ATOM 0 H ILE A 76 0.623 -11.945 0.523 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.881 -12.313 -0.613 1.00 0.00 H new ATOM 0 HB ILE A 76 0.065 -14.315 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.290 -13.085 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.798 -14.542 -1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.936 -15.928 -1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.121 -15.371 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.145 -14.700 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.625 -12.586 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.986 -13.281 -3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.486 -11.801 -2.202 1.00 0.00 H new ATOM 1235 N ASP A 77 -1.891 -13.138 2.579 1.00 0.00 N ATOM 1236 CA ASP A 77 -2.752 -13.350 3.754 1.00 0.00 C ATOM 1237 C ASP A 77 -3.878 -12.323 3.845 1.00 0.00 C ATOM 1238 O ASP A 77 -5.012 -12.655 4.197 1.00 0.00 O ATOM 1239 CB ASP A 77 -1.874 -13.307 5.015 1.00 0.00 C ATOM 1240 CG ASP A 77 -2.618 -13.199 6.358 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -3.155 -12.111 6.693 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -2.591 -14.177 7.137 1.00 0.00 O ATOM 0 H ASP A 77 -0.904 -13.061 2.825 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.234 -14.323 3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.259 -14.207 5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.195 -12.459 4.931 1.00 0.00 H new ATOM 1247 N LEU A 78 -3.581 -11.076 3.485 1.00 0.00 N ATOM 1248 CA LEU A 78 -4.523 -9.977 3.567 1.00 0.00 C ATOM 1249 C LEU A 78 -5.647 -10.139 2.542 1.00 0.00 C ATOM 1250 O LEU A 78 -6.753 -9.675 2.817 1.00 0.00 O ATOM 1251 CB LEU A 78 -3.808 -8.616 3.388 1.00 0.00 C ATOM 1252 CG LEU A 78 -2.662 -8.346 4.380 1.00 0.00 C ATOM 1253 CD1 LEU A 78 -1.927 -7.061 3.987 1.00 0.00 C ATOM 1254 CD2 LEU A 78 -3.169 -8.202 5.818 1.00 0.00 C ATOM 0 H LEU A 78 -2.666 -10.804 3.125 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.968 -9.995 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.411 -8.562 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.546 -7.820 3.484 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.989 -9.202 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.117 -6.875 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.516 -7.169 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.624 -6.223 4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.327 -8.013 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.871 -7.370 5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.671 -9.121 6.121 1.00 0.00 H new ATOM 1266 N LEU A 79 -5.383 -10.766 1.385 1.00 0.00 N ATOM 1267 CA LEU A 79 -6.370 -11.062 0.361 1.00 0.00 C ATOM 1268 C LEU A 79 -7.272 -12.198 0.870 1.00 0.00 C ATOM 1269 O LEU A 79 -8.264 -11.950 1.543 1.00 0.00 O ATOM 1270 CB LEU A 79 -5.705 -11.421 -0.969 1.00 0.00 C ATOM 1271 CG LEU A 79 -4.886 -10.314 -1.637 1.00 0.00 C ATOM 1272 CD1 LEU A 79 -5.670 -9.020 -1.824 1.00 0.00 C ATOM 1273 CD2 LEU A 79 -3.584 -10.001 -0.932 1.00 0.00 C ATOM 0 H LEU A 79 -4.446 -11.086 1.139 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.976 -10.177 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.052 -12.278 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.481 -11.740 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.649 -10.731 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.034 -8.275 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.541 -9.210 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.996 -8.649 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.063 -9.207 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.791 -9.677 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.959 -10.894 -0.909 1.00 0.00 H new ATOM 1285 N GLU A 80 -6.920 -13.452 0.569 1.00 0.00 N ATOM 1286 CA GLU A 80 -7.617 -14.704 0.880 1.00 0.00 C ATOM 1287 C GLU A 80 -9.157 -14.558 0.848 1.00 0.00 C ATOM 1288 O GLU A 80 -9.851 -14.843 1.829 1.00 0.00 O ATOM 1289 CB GLU A 80 -7.109 -15.300 2.210 1.00 0.00 C ATOM 1290 CG GLU A 80 -5.586 -15.501 2.298 1.00 0.00 C ATOM 1291 CD GLU A 80 -5.092 -16.592 1.344 1.00 0.00 C ATOM 1292 OE1 GLU A 80 -5.124 -16.370 0.109 1.00 0.00 O ATOM 1293 OE2 GLU A 80 -4.710 -17.683 1.821 1.00 0.00 O ATOM 0 H GLU A 80 -6.059 -13.633 0.053 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.376 -15.412 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.421 -14.647 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.596 -16.262 2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.083 -14.562 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.314 -15.764 3.320 1.00 0.00 H new ATOM 1300 N GLY A 81 -9.707 -14.086 -0.278 1.00 0.00 N ATOM 1301 CA GLY A 81 -11.146 -13.896 -0.462 1.00 0.00 C ATOM 1302 C GLY A 81 -11.612 -12.451 -0.307 1.00 0.00 C ATOM 1303 O GLY A 81 -12.797 -12.162 -0.469 1.00 0.00 O ATOM 0 H GLY A 81 -9.156 -13.823 -1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.424 -14.251 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.678 -14.517 0.259 1.00 0.00 H new ATOM 1307 N GLU A 82 -10.704 -11.513 -0.051 1.00 0.00 N ATOM 1308 CA GLU A 82 -10.994 -10.085 0.061 1.00 0.00 C ATOM 1309 C GLU A 82 -10.450 -9.390 -1.181 1.00 0.00 C ATOM 1310 O GLU A 82 -9.848 -8.320 -1.124 1.00 0.00 O ATOM 1311 CB GLU A 82 -10.414 -9.498 1.358 1.00 0.00 C ATOM 1312 CG GLU A 82 -11.081 -10.057 2.628 1.00 0.00 C ATOM 1313 CD GLU A 82 -12.452 -9.412 2.854 1.00 0.00 C ATOM 1314 OE1 GLU A 82 -12.506 -8.358 3.533 1.00 0.00 O ATOM 1315 OE2 GLU A 82 -13.484 -9.848 2.283 1.00 0.00 O ATOM 0 H GLU A 82 -9.717 -11.731 0.088 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.071 -9.924 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.344 -9.705 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.529 -8.414 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.193 -11.138 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.441 -9.873 3.491 1.00 0.00 H new ATOM 1322 N GLU A 83 -10.649 -10.002 -2.342 1.00 0.00 N ATOM 1323 CA GLU A 83 -9.903 -9.642 -3.530 1.00 0.00 C ATOM 1324 C GLU A 83 -10.430 -8.382 -4.227 1.00 0.00 C ATOM 1325 O GLU A 83 -11.065 -8.451 -5.282 1.00 0.00 O ATOM 1326 CB GLU A 83 -9.709 -10.854 -4.442 1.00 0.00 C ATOM 1327 CG GLU A 83 -10.993 -11.623 -4.756 1.00 0.00 C ATOM 1328 CD GLU A 83 -10.763 -12.638 -5.879 1.00 0.00 C ATOM 1329 OE1 GLU A 83 -9.919 -13.549 -5.690 1.00 0.00 O ATOM 1330 OE2 GLU A 83 -11.416 -12.532 -6.938 1.00 0.00 O ATOM 0 H GLU A 83 -11.325 -10.753 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.903 -9.342 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.262 -10.520 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.998 -11.535 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.341 -12.138 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.778 -10.925 -5.047 1.00 0.00 H new ATOM 1337 N LYS A 84 -10.149 -7.209 -3.642 1.00 0.00 N ATOM 1338 CA LYS A 84 -10.453 -5.911 -4.247 1.00 0.00 C ATOM 1339 C LYS A 84 -9.522 -4.787 -3.781 1.00 0.00 C ATOM 1340 O LYS A 84 -9.950 -3.635 -3.687 1.00 0.00 O ATOM 1341 CB LYS A 84 -11.924 -5.574 -3.941 1.00 0.00 C ATOM 1342 CG LYS A 84 -12.237 -5.303 -2.452 1.00 0.00 C ATOM 1343 CD LYS A 84 -13.365 -6.188 -1.930 1.00 0.00 C ATOM 1344 CE LYS A 84 -12.900 -7.636 -1.859 1.00 0.00 C ATOM 1345 NZ LYS A 84 -14.030 -8.568 -1.887 1.00 0.00 N ATOM 0 H LYS A 84 -9.701 -7.137 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.289 -5.988 -5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.208 -4.696 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.549 -6.399 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.340 -5.473 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.511 -4.256 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.677 -5.849 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.233 -6.108 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.234 -7.846 -2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.324 -7.789 -0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.676 -9.545 -1.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.652 -8.383 -1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.565 -8.439 -2.769 1.00 0.00 H new ATOM 1359 N PHE A 85 -8.236 -5.067 -3.590 1.00 0.00 N ATOM 1360 CA PHE A 85 -7.220 -4.058 -3.288 1.00 0.00 C ATOM 1361 C PHE A 85 -5.847 -4.585 -3.686 1.00 0.00 C ATOM 1362 O PHE A 85 -4.866 -4.474 -2.966 1.00 0.00 O ATOM 1363 CB PHE A 85 -7.307 -3.614 -1.812 1.00 0.00 C ATOM 1364 CG PHE A 85 -7.037 -4.710 -0.789 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -8.057 -5.588 -0.382 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -5.751 -4.853 -0.238 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -7.772 -6.634 0.511 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -5.450 -5.902 0.640 1.00 0.00 C ATOM 1369 CZ PHE A 85 -6.467 -6.797 1.001 1.00 0.00 C ATOM 0 H PHE A 85 -7.863 -6.015 -3.641 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.401 -3.158 -3.876 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.595 -2.804 -1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -8.301 -3.206 -1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -9.062 -5.458 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.981 -4.141 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.555 -7.311 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.451 -6.019 1.033 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.244 -7.621 1.663 1.00 0.00 H new ATOM 1379 N ILE A 86 -5.789 -5.221 -4.846 1.00 0.00 N ATOM 1380 CA ILE A 86 -4.627 -5.971 -5.272 1.00 0.00 C ATOM 1381 C ILE A 86 -3.540 -5.032 -5.836 1.00 0.00 C ATOM 1382 O ILE A 86 -3.605 -3.810 -5.679 1.00 0.00 O ATOM 1383 CB ILE A 86 -5.062 -7.083 -6.231 1.00 0.00 C ATOM 1384 CG1 ILE A 86 -6.508 -7.608 -6.062 1.00 0.00 C ATOM 1385 CG2 ILE A 86 -4.154 -8.303 -6.016 1.00 0.00 C ATOM 1386 CD1 ILE A 86 -6.902 -8.196 -4.691 1.00 0.00 C ATOM 0 H ILE A 86 -6.555 -5.229 -5.520 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.159 -6.461 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.995 -6.624 -7.217 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.191 -6.788 -6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.676 -8.376 -6.817 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.453 -9.103 -6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.119 -8.026 -6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.245 -8.647 -4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.941 -8.523 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.260 -9.047 -4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.783 -7.434 -3.921 1.00 0.00 H new ATOM 1398 N GLY A 87 -2.555 -5.602 -6.526 1.00 0.00 N ATOM 1399 CA GLY A 87 -1.369 -4.961 -7.036 1.00 0.00 C ATOM 1400 C GLY A 87 -0.250 -5.524 -6.207 1.00 0.00 C ATOM 1401 O GLY A 87 0.063 -6.730 -6.372 1.00 0.00 O ATOM 0 H GLY A 87 -2.577 -6.596 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.226 -5.177 -8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.430 -3.877 -6.937 1.00 0.00 H new