USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 744 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 17 LYS NZ :NH3+ -149:sc= -0.0404 (180deg=0) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -2.27 X(o=-2.3,f=-2) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 10 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.37) USER MOD Single : A 13 TYR OH : rot -59:sc= 0.0383 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -171:sc= -1.04 (180deg=-1.21) USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= 0.39 (180deg=0.0334) USER MOD Single : A 45 SER OG : rot 180:sc= -0.384 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -106:sc= 0.342 (180deg=-0.128) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= -0.0972 (180deg=-0.811) USER MOD Single : A 53 TYR OH : rot 98:sc= 0.566 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0316 USER MOD Single : A 56 ASN : amide:sc= -0.881 K(o=-0.88,f=-5.2!) USER MOD Single : A 60 THR OG1 : rot 101:sc= -1.45 USER MOD Single : A 66 SER OG : rot -74:sc= 0.376 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.574 F(o=-1.3,f=-0.57) USER MOD Single : A 71 ASN : amide:sc= -0.259 X(o=-0.26,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -150:sc= 0.125 (180deg=0.00457) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.771 F(o=-4,f=-0.77) USER MOD Single : A 102 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.25) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl -146:sc= -0.0446 (180deg=-0.288) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.0109 K(o=-0.011,f=-1.6!) USER MOD Single : A 112 THR OG1 : rot -160:sc= -1.49 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN :FLIP amide:sc= -1.98 F(o=-4.3!,f=-2) USER MOD Single : A 118 SER OG : rot 68:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 88 N HIS A 10 -5.518 6.590 -15.101 1.00 0.00 N ATOM 89 CA HIS A 10 -4.740 6.676 -16.337 1.00 0.00 C ATOM 90 C HIS A 10 -4.518 5.304 -16.928 1.00 0.00 C ATOM 91 O HIS A 10 -5.020 4.287 -16.439 1.00 0.00 O ATOM 92 CB HIS A 10 -3.392 7.335 -16.001 1.00 0.00 C ATOM 93 CG HIS A 10 -3.173 8.618 -16.766 1.00 0.00 C ATOM 94 ND1 HIS A 10 -4.167 9.474 -17.230 1.00 0.00 N ATOM 95 CD2 HIS A 10 -1.907 9.075 -17.101 1.00 0.00 C ATOM 96 CE1 HIS A 10 -3.402 10.405 -17.833 1.00 0.00 C ATOM 97 NE2 HIS A 10 -2.052 10.245 -17.800 1.00 0.00 N ATOM 0 HA HIS A 10 -5.281 7.268 -17.076 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.348 7.541 -14.931 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.584 6.639 -16.226 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.972 8.594 -16.855 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.848 11.254 -18.329 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -1.329 10.845 -18.196 1.00 0.00 H new ATOM 105 N GLU A 11 -3.771 5.269 -18.018 1.00 0.00 N ATOM 106 CA GLU A 11 -3.551 4.036 -18.770 1.00 0.00 C ATOM 107 C GLU A 11 -2.570 4.255 -19.897 1.00 0.00 C ATOM 108 O GLU A 11 -2.824 5.002 -20.848 1.00 0.00 O ATOM 109 CB GLU A 11 -4.921 3.535 -19.314 1.00 0.00 C ATOM 110 CG GLU A 11 -5.524 4.301 -20.537 1.00 0.00 C ATOM 111 CD GLU A 11 -6.569 3.596 -21.404 1.00 0.00 C ATOM 112 OE1 GLU A 11 -7.678 3.202 -20.718 1.00 0.00 O ATOM 113 OE2 GLU A 11 -6.419 3.404 -22.604 1.00 0.00 O ATOM 0 H GLU A 11 -3.301 6.086 -18.408 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.120 3.281 -18.113 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.812 2.487 -19.592 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.644 3.576 -18.499 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.972 5.221 -20.162 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.697 4.590 -21.186 1.00 0.00 H new ATOM 120 N GLY A 12 -1.436 3.584 -19.818 1.00 0.00 N ATOM 121 CA GLY A 12 -0.412 3.681 -20.852 1.00 0.00 C ATOM 122 C GLY A 12 0.533 2.502 -20.798 1.00 0.00 C ATOM 123 O GLY A 12 0.422 1.612 -19.949 1.00 0.00 O ATOM 0 H GLY A 12 -1.196 2.962 -19.046 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.885 3.727 -21.833 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.150 4.607 -20.726 1.00 0.00 H new ATOM 127 N TYR A 13 1.468 2.476 -21.730 1.00 0.00 N ATOM 128 CA TYR A 13 2.543 1.488 -21.730 1.00 0.00 C ATOM 129 C TYR A 13 3.796 2.063 -21.107 1.00 0.00 C ATOM 130 O TYR A 13 4.503 2.884 -21.700 1.00 0.00 O ATOM 131 CB TYR A 13 2.898 1.041 -23.177 1.00 0.00 C ATOM 132 CG TYR A 13 3.614 -0.306 -23.330 1.00 0.00 C ATOM 133 CD1 TYR A 13 2.970 -1.485 -22.937 1.00 0.00 C ATOM 134 CD2 TYR A 13 4.910 -0.369 -23.853 1.00 0.00 C ATOM 135 CE1 TYR A 13 3.623 -2.709 -23.049 1.00 0.00 C ATOM 136 CE2 TYR A 13 5.569 -1.593 -23.940 1.00 0.00 C ATOM 137 CZ TYR A 13 4.938 -2.755 -23.503 1.00 0.00 C ATOM 138 OH TYR A 13 5.614 -3.943 -23.521 1.00 0.00 O ATOM 0 H TYR A 13 1.508 3.135 -22.508 1.00 0.00 H new ATOM 0 HA TYR A 13 2.187 0.634 -21.154 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.976 1.003 -23.756 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.525 1.811 -23.626 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.964 -1.445 -22.546 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.400 0.533 -24.190 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.110 -3.622 -22.784 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.569 -1.641 -24.346 1.00 0.00 H new ATOM 0 HH TYR A 13 5.648 -4.314 -22.614 1.00 0.00 H new ATOM 148 N VAL A 14 4.082 1.635 -19.891 1.00 0.00 N ATOM 149 CA VAL A 14 5.220 2.150 -19.134 1.00 0.00 C ATOM 150 C VAL A 14 5.842 1.061 -18.295 1.00 0.00 C ATOM 151 O VAL A 14 5.510 -0.124 -18.412 1.00 0.00 O ATOM 152 CB VAL A 14 4.772 3.360 -18.221 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.070 4.542 -18.941 1.00 0.00 C ATOM 154 CG2 VAL A 14 3.820 2.957 -17.070 1.00 0.00 C ATOM 0 H VAL A 14 3.539 0.926 -19.399 1.00 0.00 H new ATOM 0 HA VAL A 14 5.968 2.505 -19.842 1.00 0.00 H new ATOM 0 HB VAL A 14 5.744 3.688 -17.852 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.810 5.310 -18.212 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.742 4.964 -19.688 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.164 4.184 -19.429 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.558 3.841 -16.489 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.915 2.514 -17.485 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.316 2.232 -16.424 1.00 0.00 H new ATOM 164 N THR A 15 6.744 1.455 -17.409 1.00 0.00 N ATOM 165 CA THR A 15 7.311 0.511 -16.444 1.00 0.00 C ATOM 166 C THR A 15 6.602 0.606 -15.112 1.00 0.00 C ATOM 167 O THR A 15 6.895 1.467 -14.275 1.00 0.00 O ATOM 168 CB THR A 15 8.849 0.746 -16.262 1.00 0.00 C ATOM 169 OG1 THR A 15 9.322 1.700 -17.204 1.00 0.00 O ATOM 170 CG2 THR A 15 9.757 -0.485 -16.468 1.00 0.00 C ATOM 0 H THR A 15 7.099 2.408 -17.334 1.00 0.00 H new ATOM 0 HA THR A 15 7.164 -0.494 -16.840 1.00 0.00 H new ATOM 0 HB THR A 15 8.918 1.062 -15.221 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.284 1.837 -17.076 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.798 -0.199 -16.316 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.486 -1.261 -15.752 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.630 -0.865 -17.482 1.00 0.00 H new ATOM 178 N ARG A 16 5.668 -0.300 -14.890 1.00 0.00 N ATOM 179 CA ARG A 16 4.917 -0.370 -13.638 1.00 0.00 C ATOM 180 C ARG A 16 5.033 -1.744 -13.022 1.00 0.00 C ATOM 181 O ARG A 16 5.565 -2.686 -13.632 1.00 0.00 O ATOM 182 CB ARG A 16 3.431 0.002 -13.912 1.00 0.00 C ATOM 183 CG ARG A 16 3.243 1.042 -15.047 1.00 0.00 C ATOM 184 CD ARG A 16 1.932 1.834 -14.980 1.00 0.00 C ATOM 185 NE ARG A 16 0.993 1.134 -14.065 1.00 0.00 N ATOM 186 CZ ARG A 16 0.089 1.728 -13.294 1.00 0.00 C ATOM 187 NH1 ARG A 16 -0.085 3.015 -13.222 1.00 0.00 N ATOM 188 NH2 ARG A 16 -0.662 0.972 -12.573 1.00 0.00 N ATOM 0 H ARG A 16 5.404 -1.012 -15.571 1.00 0.00 H new ATOM 0 HA ARG A 16 5.333 0.341 -12.925 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.881 -0.904 -14.168 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.990 0.395 -12.996 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.077 1.743 -15.020 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.291 0.526 -16.006 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.121 2.847 -14.624 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.494 1.923 -15.974 1.00 0.00 H new ATOM 0 HE ARG A 16 1.047 0.116 -14.026 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.495 3.640 -13.782 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.801 3.399 -12.606 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.550 -0.041 -12.608 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.370 1.386 -11.966 1.00 0.00 H new ATOM 202 N LYS A 17 4.525 -1.908 -11.815 1.00 0.00 N ATOM 203 CA LYS A 17 4.445 -3.225 -11.185 1.00 0.00 C ATOM 204 C LYS A 17 3.022 -3.522 -10.767 1.00 0.00 C ATOM 205 O LYS A 17 2.064 -3.015 -11.386 1.00 0.00 O ATOM 206 CB LYS A 17 5.414 -3.289 -9.974 1.00 0.00 C ATOM 207 CG LYS A 17 6.444 -4.445 -10.067 1.00 0.00 C ATOM 208 CD LYS A 17 5.997 -5.761 -9.425 1.00 0.00 C ATOM 209 CE LYS A 17 5.030 -6.485 -10.372 1.00 0.00 C ATOM 210 NZ LYS A 17 5.775 -7.474 -11.172 1.00 0.00 N ATOM 0 H LYS A 17 4.159 -1.146 -11.244 1.00 0.00 H new ATOM 0 HA LYS A 17 4.746 -3.987 -11.904 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.948 -2.342 -9.896 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.833 -3.403 -9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.668 -4.628 -11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.372 -4.124 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.862 -6.391 -9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.510 -5.566 -8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.246 -6.981 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.539 -5.766 -11.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.324 -7.578 -12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.756 -7.152 -11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.772 -8.391 -10.681 1.00 0.00 H new ATOM 224 N HIS A 18 2.826 -4.306 -9.724 1.00 0.00 N ATOM 225 CA HIS A 18 1.485 -4.538 -9.183 1.00 0.00 C ATOM 226 C HIS A 18 1.523 -5.342 -7.905 1.00 0.00 C ATOM 227 O HIS A 18 0.575 -6.078 -7.581 1.00 0.00 O ATOM 228 CB HIS A 18 0.721 -5.316 -10.269 1.00 0.00 C ATOM 229 CG HIS A 18 1.465 -6.540 -10.720 1.00 0.00 C ATOM 230 ND1 HIS A 18 2.294 -6.622 -11.836 1.00 0.00 N ATOM 231 CD2 HIS A 18 1.400 -7.750 -10.045 1.00 0.00 C ATOM 232 CE1 HIS A 18 2.676 -7.910 -11.745 1.00 0.00 C ATOM 233 NE2 HIS A 18 2.190 -8.650 -10.711 1.00 0.00 N ATOM 0 H HIS A 18 3.572 -4.796 -9.230 1.00 0.00 H new ATOM 0 HA HIS A 18 1.006 -3.590 -8.936 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.256 -5.608 -9.885 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.545 -4.664 -11.125 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.827 -7.948 -9.151 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.348 -8.343 -12.471 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.369 -9.629 -10.488 1.00 0.00 H new ATOM 445 N TRP A 32 10.058 -4.690 -11.870 1.00 0.00 N ATOM 446 CA TRP A 32 9.054 -3.928 -12.607 1.00 0.00 C ATOM 447 C TRP A 32 8.993 -4.387 -14.044 1.00 0.00 C ATOM 448 O TRP A 32 10.018 -4.743 -14.649 1.00 0.00 O ATOM 449 CB TRP A 32 9.413 -2.416 -12.556 1.00 0.00 C ATOM 450 CG TRP A 32 9.607 -1.810 -11.158 1.00 0.00 C ATOM 451 CD1 TRP A 32 10.170 -2.448 -10.035 1.00 0.00 C ATOM 452 CD2 TRP A 32 9.361 -0.506 -10.765 1.00 0.00 C ATOM 453 NE1 TRP A 32 10.292 -1.569 -8.941 1.00 0.00 N ATOM 454 CE2 TRP A 32 9.786 -0.371 -9.419 1.00 0.00 C ATOM 455 CE3 TRP A 32 8.791 0.595 -11.454 1.00 0.00 C ATOM 456 CZ2 TRP A 32 9.682 0.878 -8.768 1.00 0.00 C ATOM 457 CZ3 TRP A 32 8.695 1.816 -10.789 1.00 0.00 C ATOM 458 CH2 TRP A 32 9.183 1.970 -9.483 1.00 0.00 C ATOM 0 HA TRP A 32 8.079 -4.091 -12.147 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.329 -2.262 -13.126 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.625 -1.860 -13.064 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.471 -3.485 -10.015 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.666 -1.768 -8.013 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.440 0.490 -12.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 9.983 0.987 -7.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.237 2.658 -11.288 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.173 2.947 -9.023 1.00 0.00 H new ATOM 469 N ASP A 33 7.811 -4.371 -14.628 1.00 0.00 N ATOM 470 CA ASP A 33 7.597 -4.924 -15.963 1.00 0.00 C ATOM 471 C ASP A 33 6.992 -3.896 -16.889 1.00 0.00 C ATOM 472 O ASP A 33 6.079 -3.144 -16.528 1.00 0.00 O ATOM 473 CB ASP A 33 6.725 -6.204 -15.876 1.00 0.00 C ATOM 474 CG ASP A 33 7.444 -7.545 -16.091 1.00 0.00 C ATOM 475 OD1 ASP A 33 8.554 -7.787 -15.641 1.00 0.00 O ATOM 476 OD2 ASP A 33 6.700 -8.434 -16.816 1.00 0.00 O ATOM 0 H ASP A 33 6.973 -3.978 -14.199 1.00 0.00 H new ATOM 0 HA ASP A 33 8.563 -5.201 -16.385 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.250 -6.226 -14.895 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.928 -6.123 -16.615 1.00 0.00 H new ATOM 481 N LYS A 34 7.512 -3.829 -18.103 1.00 0.00 N ATOM 482 CA LYS A 34 6.920 -2.986 -19.141 1.00 0.00 C ATOM 483 C LYS A 34 5.543 -3.490 -19.500 1.00 0.00 C ATOM 484 O LYS A 34 5.376 -4.390 -20.335 1.00 0.00 O ATOM 485 CB LYS A 34 7.843 -2.958 -20.390 1.00 0.00 C ATOM 486 CG LYS A 34 8.647 -1.642 -20.536 1.00 0.00 C ATOM 487 CD LYS A 34 9.667 -1.637 -21.678 1.00 0.00 C ATOM 488 CE LYS A 34 9.546 -0.323 -22.461 1.00 0.00 C ATOM 489 NZ LYS A 34 10.210 -0.469 -23.768 1.00 0.00 N ATOM 0 H LYS A 34 8.341 -4.345 -18.399 1.00 0.00 H new ATOM 0 HA LYS A 34 6.821 -1.969 -18.762 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.539 -3.795 -20.336 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.236 -3.105 -21.284 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.947 -0.820 -20.689 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.170 -1.446 -19.600 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.676 -1.745 -21.280 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.493 -2.485 -22.340 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.496 -0.066 -22.601 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.002 0.492 -21.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.129 0.421 -24.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.215 -0.696 -23.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.756 -1.236 -24.304 1.00 0.00 H new ATOM 503 N VAL A 35 4.529 -2.931 -18.869 1.00 0.00 N ATOM 504 CA VAL A 35 3.162 -3.434 -18.994 1.00 0.00 C ATOM 505 C VAL A 35 2.245 -2.471 -19.713 1.00 0.00 C ATOM 506 O VAL A 35 2.474 -1.258 -19.761 1.00 0.00 O ATOM 507 CB VAL A 35 2.586 -3.734 -17.551 1.00 0.00 C ATOM 508 CG1 VAL A 35 2.954 -5.111 -16.934 1.00 0.00 C ATOM 509 CG2 VAL A 35 2.987 -2.689 -16.483 1.00 0.00 C ATOM 0 H VAL A 35 4.621 -2.120 -18.257 1.00 0.00 H new ATOM 0 HA VAL A 35 3.203 -4.343 -19.594 1.00 0.00 H new ATOM 0 HB VAL A 35 1.518 -3.707 -17.769 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.502 -5.199 -15.946 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.581 -5.909 -17.576 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.037 -5.192 -16.846 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.553 -2.966 -15.522 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.073 -2.657 -16.395 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.618 -1.707 -16.778 1.00 0.00 H new ATOM 519 N TYR A 36 1.190 -3.015 -20.289 1.00 0.00 N ATOM 520 CA TYR A 36 0.104 -2.213 -20.846 1.00 0.00 C ATOM 521 C TYR A 36 -1.011 -2.139 -19.819 1.00 0.00 C ATOM 522 O TYR A 36 -2.022 -2.850 -19.831 1.00 0.00 O ATOM 523 CB TYR A 36 -0.477 -2.808 -22.164 1.00 0.00 C ATOM 524 CG TYR A 36 -0.140 -2.090 -23.477 1.00 0.00 C ATOM 525 CD1 TYR A 36 -0.410 -0.728 -23.638 1.00 0.00 C ATOM 526 CD2 TYR A 36 0.434 -2.808 -24.533 1.00 0.00 C ATOM 527 CE1 TYR A 36 -0.189 -0.114 -24.869 1.00 0.00 C ATOM 528 CE2 TYR A 36 0.647 -2.194 -25.764 1.00 0.00 C ATOM 529 CZ TYR A 36 0.340 -0.845 -25.928 1.00 0.00 C ATOM 530 OH TYR A 36 0.558 -0.239 -27.133 1.00 0.00 O ATOM 0 H TYR A 36 1.056 -4.022 -20.387 1.00 0.00 H new ATOM 0 HA TYR A 36 0.510 -1.229 -21.083 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.133 -3.839 -22.247 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.562 -2.841 -22.068 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.790 -0.151 -22.808 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.713 -3.842 -24.392 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.429 0.931 -25.001 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.049 -2.762 -26.590 1.00 0.00 H new ATOM 0 HH TYR A 36 0.932 -0.890 -27.763 1.00 0.00 H new ATOM 540 N MET A 37 -0.803 -1.258 -18.848 1.00 0.00 N ATOM 541 CA MET A 37 -1.681 -1.171 -17.688 1.00 0.00 C ATOM 542 C MET A 37 -2.709 -0.074 -17.837 1.00 0.00 C ATOM 543 O MET A 37 -2.399 1.110 -18.003 1.00 0.00 O ATOM 544 CB MET A 37 -0.828 -0.943 -16.409 1.00 0.00 C ATOM 545 CG MET A 37 -1.385 -1.581 -15.117 1.00 0.00 C ATOM 546 SD MET A 37 -0.774 -3.267 -14.964 1.00 0.00 S ATOM 547 CE MET A 37 0.202 -3.060 -13.469 1.00 0.00 C ATOM 0 H MET A 37 -0.031 -0.591 -18.841 1.00 0.00 H new ATOM 0 HA MET A 37 -2.226 -2.112 -17.605 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.173 -1.337 -16.586 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.725 0.130 -16.248 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.083 -0.994 -14.250 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.475 -1.579 -15.139 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.794 -3.958 -13.294 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.867 -2.204 -13.584 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.462 -2.892 -12.621 1.00 0.00 H new ATOM 557 N ALA A 38 -3.966 -0.461 -17.754 1.00 0.00 N ATOM 558 CA ALA A 38 -5.097 0.464 -17.692 1.00 0.00 C ATOM 559 C ALA A 38 -5.592 0.517 -16.266 1.00 0.00 C ATOM 560 O ALA A 38 -6.587 -0.123 -15.899 1.00 0.00 O ATOM 561 CB ALA A 38 -6.163 0.004 -18.704 1.00 0.00 C ATOM 0 H ALA A 38 -4.243 -1.442 -17.727 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.817 1.480 -17.969 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.014 0.684 -18.670 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.737 0.005 -19.707 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.493 -1.004 -18.452 1.00 0.00 H new ATOM 567 N ALA A 39 -4.928 1.298 -15.436 1.00 0.00 N ATOM 568 CA ALA A 39 -5.161 1.257 -13.997 1.00 0.00 C ATOM 569 C ALA A 39 -4.845 2.575 -13.331 1.00 0.00 C ATOM 570 O ALA A 39 -4.472 3.587 -13.936 1.00 0.00 O ATOM 571 CB ALA A 39 -4.298 0.105 -13.440 1.00 0.00 C ATOM 0 H ALA A 39 -4.221 1.971 -15.730 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.216 1.081 -13.787 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.439 0.034 -12.361 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.597 -0.833 -13.908 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.248 0.300 -13.657 1.00 0.00 H new ATOM 577 N LYS A 40 -5.055 2.588 -12.022 1.00 0.00 N ATOM 578 CA LYS A 40 -4.655 3.709 -11.182 1.00 0.00 C ATOM 579 C LYS A 40 -4.820 3.382 -9.717 1.00 0.00 C ATOM 580 O LYS A 40 -5.168 2.274 -9.298 1.00 0.00 O ATOM 581 CB LYS A 40 -5.505 4.954 -11.566 1.00 0.00 C ATOM 582 CG LYS A 40 -7.007 4.601 -11.765 1.00 0.00 C ATOM 583 CD LYS A 40 -7.355 3.890 -13.078 1.00 0.00 C ATOM 584 CE LYS A 40 -8.825 4.155 -13.436 1.00 0.00 C ATOM 585 NZ LYS A 40 -9.543 2.873 -13.542 1.00 0.00 N ATOM 0 H LYS A 40 -5.505 1.826 -11.514 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.599 3.920 -11.349 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.411 5.710 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.112 5.392 -12.484 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.326 3.969 -10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.588 5.521 -11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.706 4.245 -13.878 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.182 2.818 -12.979 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.289 4.782 -12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.889 4.699 -14.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.543 3.014 -13.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.474 2.516 -14.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.119 2.183 -12.890 1.00 0.00 H new ATOM 599 N ALA A 41 -4.594 4.394 -8.899 1.00 0.00 N ATOM 600 CA ALA A 41 -4.844 4.305 -7.461 1.00 0.00 C ATOM 601 C ALA A 41 -6.207 3.722 -7.151 1.00 0.00 C ATOM 602 O ALA A 41 -6.381 2.971 -6.189 1.00 0.00 O ATOM 603 CB ALA A 41 -4.660 5.714 -6.872 1.00 0.00 C ATOM 0 H ALA A 41 -4.234 5.298 -9.205 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.135 3.617 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.839 5.685 -5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.643 6.057 -7.061 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.367 6.399 -7.340 1.00 0.00 H new ATOM 609 N GLY A 42 -7.179 4.025 -7.989 1.00 0.00 N ATOM 610 CA GLY A 42 -8.585 3.729 -7.767 1.00 0.00 C ATOM 611 C GLY A 42 -9.038 2.345 -8.155 1.00 0.00 C ATOM 612 O GLY A 42 -9.730 1.653 -7.383 1.00 0.00 O ATOM 0 H GLY A 42 -7.008 4.501 -8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.805 3.879 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.181 4.454 -8.322 1.00 0.00 H new ATOM 616 N ARG A 43 -8.707 1.899 -9.351 1.00 0.00 N ATOM 617 CA ARG A 43 -9.038 0.550 -9.804 1.00 0.00 C ATOM 618 C ARG A 43 -8.117 0.126 -10.925 1.00 0.00 C ATOM 619 O ARG A 43 -7.864 0.947 -11.846 1.00 0.00 O ATOM 620 CB ARG A 43 -10.519 0.515 -10.278 1.00 0.00 C ATOM 621 CG ARG A 43 -11.573 1.113 -9.302 1.00 0.00 C ATOM 622 CD ARG A 43 -12.966 1.198 -9.940 1.00 0.00 C ATOM 623 NE ARG A 43 -13.947 1.609 -8.905 1.00 0.00 N ATOM 624 CZ ARG A 43 -15.147 2.125 -9.142 1.00 0.00 C ATOM 625 NH1 ARG A 43 -15.629 2.346 -10.328 1.00 0.00 N ATOM 626 NH2 ARG A 43 -15.876 2.421 -8.125 1.00 0.00 N ATOM 0 H ARG A 43 -8.202 2.456 -10.040 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.907 -0.147 -8.976 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.587 1.051 -11.225 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.789 -0.522 -10.479 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.623 0.499 -8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.255 2.108 -8.991 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.961 1.916 -10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.246 0.233 -10.362 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.676 1.485 -7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.075 2.120 -11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.561 2.746 -10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.525 2.257 -7.181 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.805 2.820 -8.262 1.00 0.00 H new ATOM 640 N ILE A 44 -7.612 -1.092 -10.948 1.00 0.00 N ATOM 641 CA ILE A 44 -6.665 -1.507 -11.990 1.00 0.00 C ATOM 642 C ILE A 44 -7.322 -2.337 -13.074 1.00 0.00 C ATOM 643 O ILE A 44 -8.325 -3.027 -12.885 1.00 0.00 O ATOM 644 CB ILE A 44 -5.407 -2.282 -11.407 1.00 0.00 C ATOM 645 CG1 ILE A 44 -4.640 -1.582 -10.238 1.00 0.00 C ATOM 646 CG2 ILE A 44 -4.363 -2.611 -12.520 1.00 0.00 C ATOM 647 CD1 ILE A 44 -4.418 -0.066 -10.398 1.00 0.00 C ATOM 0 H ILE A 44 -7.834 -1.816 -10.265 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.311 -0.578 -12.436 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.863 -3.182 -10.994 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.190 -1.754 -9.313 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.668 -2.063 -10.126 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.518 -3.141 -12.081 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.828 -3.237 -13.281 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.013 -1.685 -12.976 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.878 0.316 -9.532 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.837 0.123 -11.301 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.382 0.437 -10.475 1.00 0.00 H new ATOM 659 N SER A 45 -6.735 -2.270 -14.254 1.00 0.00 N ATOM 660 CA SER A 45 -7.051 -3.115 -15.402 1.00 0.00 C ATOM 661 C SER A 45 -5.752 -3.553 -16.050 1.00 0.00 C ATOM 662 O SER A 45 -4.974 -2.708 -16.534 1.00 0.00 O ATOM 663 CB SER A 45 -8.007 -2.419 -16.403 1.00 0.00 C ATOM 664 OG SER A 45 -7.805 -2.843 -17.756 1.00 0.00 O ATOM 0 H SER A 45 -5.993 -1.599 -14.452 1.00 0.00 H new ATOM 0 HA SER A 45 -7.594 -3.996 -15.060 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.038 -2.623 -16.114 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.866 -1.340 -16.341 1.00 0.00 H new ATOM 0 HG SER A 45 -8.434 -2.374 -18.343 1.00 0.00 H new ATOM 670 N PHE A 46 -5.465 -4.837 -16.079 1.00 0.00 N ATOM 671 CA PHE A 46 -4.145 -5.339 -16.474 1.00 0.00 C ATOM 672 C PHE A 46 -4.085 -6.084 -17.792 1.00 0.00 C ATOM 673 O PHE A 46 -4.906 -6.963 -18.076 1.00 0.00 O ATOM 674 CB PHE A 46 -3.679 -6.354 -15.373 1.00 0.00 C ATOM 675 CG PHE A 46 -3.579 -5.836 -13.928 1.00 0.00 C ATOM 676 CD1 PHE A 46 -4.747 -5.697 -13.166 1.00 0.00 C ATOM 677 CD2 PHE A 46 -2.342 -5.568 -13.336 1.00 0.00 C ATOM 678 CE1 PHE A 46 -4.675 -5.334 -11.826 1.00 0.00 C ATOM 679 CE2 PHE A 46 -2.274 -5.158 -12.007 1.00 0.00 C ATOM 680 CZ PHE A 46 -3.443 -5.012 -11.260 1.00 0.00 C ATOM 0 H PHE A 46 -6.131 -5.569 -15.832 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.519 -4.454 -16.587 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.368 -7.199 -15.381 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.700 -6.738 -15.661 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.710 -5.873 -13.623 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.435 -5.679 -13.912 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.572 -5.302 -11.225 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.315 -4.953 -11.554 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.393 -4.650 -10.244 1.00 0.00 H new ATOM 690 N TYR A 47 -3.100 -5.758 -18.607 1.00 0.00 N ATOM 691 CA TYR A 47 -2.777 -6.534 -19.800 1.00 0.00 C ATOM 692 C TYR A 47 -1.359 -6.233 -20.242 1.00 0.00 C ATOM 693 O TYR A 47 -1.090 -5.116 -20.717 1.00 0.00 O ATOM 694 CB TYR A 47 -3.735 -6.211 -20.986 1.00 0.00 C ATOM 695 CG TYR A 47 -3.910 -4.741 -21.395 1.00 0.00 C ATOM 696 CD1 TYR A 47 -4.505 -3.836 -20.511 1.00 0.00 C ATOM 697 CD2 TYR A 47 -3.493 -4.302 -22.656 1.00 0.00 C ATOM 698 CE1 TYR A 47 -4.691 -2.509 -20.888 1.00 0.00 C ATOM 699 CE2 TYR A 47 -3.752 -2.994 -23.059 1.00 0.00 C ATOM 700 CZ TYR A 47 -4.331 -2.094 -22.168 1.00 0.00 C ATOM 701 OH TYR A 47 -4.542 -0.800 -22.551 1.00 0.00 O ATOM 0 H TYR A 47 -2.497 -4.947 -18.465 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.889 -7.586 -19.536 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.382 -6.760 -21.859 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.719 -6.607 -20.737 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.821 -4.167 -19.533 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.970 -4.977 -23.317 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.114 -1.802 -20.189 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.504 -2.678 -24.062 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.233 -0.677 -23.473 1.00 0.00 H new ATOM 711 N LYS A 48 -0.424 -7.153 -20.087 1.00 0.00 N ATOM 712 CA LYS A 48 0.953 -6.915 -20.534 1.00 0.00 C ATOM 713 C LYS A 48 0.992 -6.661 -22.023 1.00 0.00 C ATOM 714 O LYS A 48 1.780 -5.871 -22.549 1.00 0.00 O ATOM 715 CB LYS A 48 1.866 -8.115 -20.157 1.00 0.00 C ATOM 716 CG LYS A 48 3.369 -7.825 -20.420 1.00 0.00 C ATOM 717 CD LYS A 48 4.327 -8.993 -20.180 1.00 0.00 C ATOM 718 CE LYS A 48 3.629 -10.064 -19.332 1.00 0.00 C ATOM 719 NZ LYS A 48 4.463 -10.377 -18.157 1.00 0.00 N ATOM 0 H LYS A 48 -0.582 -8.066 -19.660 1.00 0.00 H new ATOM 0 HA LYS A 48 1.330 -6.027 -20.026 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.725 -8.358 -19.104 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.563 -8.992 -20.729 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.480 -7.496 -21.453 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.675 -6.993 -19.786 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.644 -9.418 -21.132 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.226 -8.641 -19.673 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.649 -9.709 -19.012 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.464 -10.963 -19.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.914 -11.305 -18.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.197 -9.648 -18.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.868 -10.399 -17.305 1.00 0.00 H new ATOM 733 N ASP A 49 0.099 -7.334 -22.729 1.00 0.00 N ATOM 734 CA ASP A 49 -0.094 -7.142 -24.161 1.00 0.00 C ATOM 735 C ASP A 49 -1.445 -7.663 -24.592 1.00 0.00 C ATOM 736 O ASP A 49 -2.401 -7.715 -23.805 1.00 0.00 O ATOM 737 CB ASP A 49 1.061 -7.810 -24.953 1.00 0.00 C ATOM 738 CG ASP A 49 1.861 -6.910 -25.904 1.00 0.00 C ATOM 739 OD1 ASP A 49 1.760 -5.692 -25.913 1.00 0.00 O ATOM 740 OD2 ASP A 49 2.694 -7.615 -26.727 1.00 0.00 O ATOM 0 H ASP A 49 -0.519 -8.036 -22.323 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.073 -6.075 -24.381 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.755 -8.248 -24.236 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.643 -8.632 -25.535 1.00 0.00 H new ATOM 745 N GLN A 50 -1.555 -8.030 -25.853 1.00 0.00 N ATOM 746 CA GLN A 50 -2.745 -8.702 -26.367 1.00 0.00 C ATOM 747 C GLN A 50 -2.623 -10.200 -26.227 1.00 0.00 C ATOM 748 O GLN A 50 -2.753 -10.956 -27.196 1.00 0.00 O ATOM 749 CB GLN A 50 -2.929 -8.300 -27.847 1.00 0.00 C ATOM 750 CG GLN A 50 -3.244 -6.795 -28.137 1.00 0.00 C ATOM 751 CD GLN A 50 -2.777 -6.178 -29.462 1.00 0.00 C ATOM 752 OE1 GLN A 50 -1.595 -5.961 -29.674 1.00 0.00 O ATOM 753 NE2 GLN A 50 -3.650 -5.898 -30.397 1.00 0.00 N ATOM 0 H GLN A 50 -0.829 -7.875 -26.552 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.618 -8.396 -25.790 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.020 -8.567 -28.387 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.736 -8.902 -28.264 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.325 -6.668 -28.078 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.809 -6.206 -27.329 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.642 -6.073 -30.237 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.338 -5.505 -31.285 1.00 0.00 H new ATOM 762 N LYS A 51 -2.347 -10.664 -25.021 1.00 0.00 N ATOM 763 CA LYS A 51 -2.094 -12.084 -24.778 1.00 0.00 C ATOM 764 C LYS A 51 -3.357 -12.782 -24.331 1.00 0.00 C ATOM 765 O LYS A 51 -4.167 -13.214 -25.189 1.00 0.00 O ATOM 766 CB LYS A 51 -0.959 -12.226 -23.725 1.00 0.00 C ATOM 767 CG LYS A 51 -1.076 -11.212 -22.556 1.00 0.00 C ATOM 768 CD LYS A 51 -0.879 -11.810 -21.161 1.00 0.00 C ATOM 769 CE LYS A 51 0.330 -12.752 -21.174 1.00 0.00 C ATOM 770 NZ LYS A 51 -0.127 -14.142 -20.993 1.00 0.00 N ATOM 0 H LYS A 51 -2.291 -10.079 -24.187 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.774 -12.563 -25.704 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.972 -13.238 -23.321 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.004 -12.092 -24.218 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.339 -10.423 -22.704 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.059 -10.743 -22.599 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.726 -11.015 -20.431 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.774 -12.354 -20.857 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.870 -12.655 -22.116 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.025 -12.480 -20.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.486 -14.783 -21.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.083 -14.393 -19.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.107 -14.232 -21.330 1.00 0.00 H new ATOM 784 N GLY A 52 -3.579 -12.960 -23.046 1.00 0.00 N ATOM 785 CA GLY A 52 -4.884 -13.463 -22.566 1.00 0.00 C ATOM 786 C GLY A 52 -5.964 -12.569 -23.172 1.00 0.00 C ATOM 787 O GLY A 52 -7.060 -12.996 -23.539 1.00 0.00 O ATOM 0 H GLY A 52 -2.896 -12.772 -22.312 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.030 -14.501 -22.866 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.929 -13.437 -21.477 1.00 0.00 H new ATOM 791 N TYR A 53 -5.611 -11.299 -23.294 1.00 0.00 N ATOM 792 CA TYR A 53 -6.440 -10.316 -23.986 1.00 0.00 C ATOM 793 C TYR A 53 -6.824 -10.785 -25.374 1.00 0.00 C ATOM 794 O TYR A 53 -8.013 -10.700 -25.761 1.00 0.00 O ATOM 795 CB TYR A 53 -5.688 -8.961 -24.131 1.00 0.00 C ATOM 796 CG TYR A 53 -6.204 -7.777 -23.298 1.00 0.00 C ATOM 797 CD1 TYR A 53 -6.593 -7.956 -21.968 1.00 0.00 C ATOM 798 CD2 TYR A 53 -6.297 -6.509 -23.881 1.00 0.00 C ATOM 799 CE1 TYR A 53 -7.080 -6.878 -21.232 1.00 0.00 C ATOM 800 CE2 TYR A 53 -6.769 -5.430 -23.139 1.00 0.00 C ATOM 801 CZ TYR A 53 -7.156 -5.615 -21.815 1.00 0.00 C ATOM 802 OH TYR A 53 -7.611 -4.555 -21.081 1.00 0.00 O ATOM 0 H TYR A 53 -4.743 -10.918 -22.918 1.00 0.00 H new ATOM 0 HA TYR A 53 -7.339 -10.189 -23.382 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.642 -9.126 -23.871 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.714 -8.671 -25.181 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.516 -8.931 -21.510 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.002 -6.367 -24.910 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.398 -7.021 -20.210 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.835 -4.451 -23.590 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.849 -4.044 -20.737 1.00 0.00 H new ATOM 812 N LYS A 54 -5.890 -11.256 -26.178 1.00 0.00 N ATOM 813 CA LYS A 54 -6.221 -11.851 -27.481 1.00 0.00 C ATOM 814 C LYS A 54 -7.327 -12.872 -27.351 1.00 0.00 C ATOM 815 O LYS A 54 -8.435 -12.706 -27.875 1.00 0.00 O ATOM 816 CB LYS A 54 -4.962 -12.498 -28.121 1.00 0.00 C ATOM 817 CG LYS A 54 -4.368 -11.678 -29.295 1.00 0.00 C ATOM 818 CD LYS A 54 -5.236 -11.659 -30.559 1.00 0.00 C ATOM 819 CE LYS A 54 -4.443 -12.249 -31.731 1.00 0.00 C ATOM 820 NZ LYS A 54 -5.062 -11.835 -33.003 1.00 0.00 N ATOM 0 H LYS A 54 -4.893 -11.243 -25.962 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.574 -11.052 -28.133 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.198 -12.622 -27.353 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.219 -13.495 -28.479 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.210 -10.652 -28.962 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.389 -12.085 -29.548 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.147 -12.234 -30.396 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.540 -10.638 -30.789 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.408 -11.910 -31.691 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.425 -13.337 -31.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.524 -12.236 -33.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.042 -12.180 -33.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.057 -10.797 -33.070 1.00 0.00 H new ATOM 834 N SER A 55 -7.034 -13.963 -26.667 1.00 0.00 N ATOM 835 CA SER A 55 -7.954 -15.096 -26.595 1.00 0.00 C ATOM 836 C SER A 55 -9.277 -14.689 -25.992 1.00 0.00 C ATOM 837 O SER A 55 -10.328 -14.715 -26.649 1.00 0.00 O ATOM 838 CB SER A 55 -7.314 -16.278 -25.822 1.00 0.00 C ATOM 839 OG SER A 55 -5.885 -16.285 -25.900 1.00 0.00 O ATOM 0 H SER A 55 -6.165 -14.094 -26.150 1.00 0.00 H new ATOM 0 HA SER A 55 -8.153 -15.435 -27.612 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.616 -16.227 -24.776 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.699 -17.217 -26.220 1.00 0.00 H new ATOM 0 HG SER A 55 -5.534 -17.048 -25.395 1.00 0.00 H new ATOM 845 N ASN A 56 -9.256 -14.281 -24.737 1.00 0.00 N ATOM 846 CA ASN A 56 -10.490 -13.998 -24.004 1.00 0.00 C ATOM 847 C ASN A 56 -10.323 -12.785 -23.120 1.00 0.00 C ATOM 848 O ASN A 56 -9.406 -12.722 -22.295 1.00 0.00 O ATOM 849 CB ASN A 56 -10.893 -15.239 -23.153 1.00 0.00 C ATOM 850 CG ASN A 56 -10.761 -16.615 -23.815 1.00 0.00 C ATOM 851 OD1 ASN A 56 -9.685 -17.064 -24.182 1.00 0.00 O ATOM 852 ND2 ASN A 56 -11.834 -17.342 -23.969 1.00 0.00 N ATOM 0 H ASN A 56 -8.402 -14.136 -24.198 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.282 -13.785 -24.722 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.285 -15.240 -22.248 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.930 -15.112 -22.841 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.766 -18.269 -24.390 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.740 -16.983 -23.669 1.00 0.00 H new ATOM 859 N PRO A 57 -11.199 -11.808 -23.261 1.00 0.00 N ATOM 860 CA PRO A 57 -11.238 -10.510 -22.449 1.00 0.00 C ATOM 861 C PRO A 57 -11.580 -10.663 -20.983 1.00 0.00 C ATOM 862 O PRO A 57 -11.718 -9.654 -20.261 1.00 0.00 O ATOM 863 CB PRO A 57 -12.304 -9.638 -23.094 1.00 0.00 C ATOM 864 CG PRO A 57 -13.268 -10.684 -23.677 1.00 0.00 C ATOM 865 CD PRO A 57 -12.325 -11.764 -24.223 1.00 0.00 C ATOM 0 HA PRO A 57 -10.232 -10.091 -22.465 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.796 -8.991 -22.367 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.889 -8.991 -23.867 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.938 -11.082 -22.915 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -13.894 -10.261 -24.463 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -12.826 -12.730 -24.289 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.978 -11.516 -25.226 1.00 0.00 H new ATOM 873 N GLU A 58 -11.707 -11.875 -20.475 1.00 0.00 N ATOM 874 CA GLU A 58 -11.888 -12.116 -19.047 1.00 0.00 C ATOM 875 C GLU A 58 -10.567 -12.430 -18.385 1.00 0.00 C ATOM 876 O GLU A 58 -10.295 -12.041 -17.245 1.00 0.00 O ATOM 877 CB GLU A 58 -12.902 -13.281 -18.863 1.00 0.00 C ATOM 878 CG GLU A 58 -13.105 -14.259 -20.068 1.00 0.00 C ATOM 879 CD GLU A 58 -13.713 -15.636 -19.794 1.00 0.00 C ATOM 880 OE1 GLU A 58 -14.763 -15.791 -19.185 1.00 0.00 O ATOM 881 OE2 GLU A 58 -12.977 -16.669 -20.290 1.00 0.00 O ATOM 0 H GLU A 58 -11.688 -12.725 -21.039 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.281 -11.219 -18.569 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.586 -13.869 -18.002 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.871 -12.848 -18.615 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.737 -13.757 -20.800 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.134 -14.413 -20.538 1.00 0.00 H new ATOM 888 N LEU A 59 -9.712 -13.131 -19.110 1.00 0.00 N ATOM 889 CA LEU A 59 -8.381 -13.486 -18.625 1.00 0.00 C ATOM 890 C LEU A 59 -7.319 -12.672 -19.327 1.00 0.00 C ATOM 891 O LEU A 59 -7.502 -12.219 -20.467 1.00 0.00 O ATOM 892 CB LEU A 59 -8.126 -15.011 -18.804 1.00 0.00 C ATOM 893 CG LEU A 59 -9.082 -16.009 -18.095 1.00 0.00 C ATOM 894 CD1 LEU A 59 -8.376 -16.659 -16.895 1.00 0.00 C ATOM 895 CD2 LEU A 59 -10.402 -15.371 -17.632 1.00 0.00 C ATOM 0 H LEU A 59 -9.916 -13.471 -20.050 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.329 -13.255 -17.561 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.152 -15.229 -19.872 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.113 -15.221 -18.460 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.339 -16.763 -18.839 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.057 -17.356 -16.406 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.492 -17.196 -17.240 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.078 -15.887 -16.186 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.020 -16.126 -17.146 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.190 -14.567 -16.928 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.933 -14.968 -18.494 1.00 0.00 H new ATOM 907 N THR A 60 -6.194 -12.446 -18.669 1.00 0.00 N ATOM 908 CA THR A 60 -5.065 -11.763 -19.296 1.00 0.00 C ATOM 909 C THR A 60 -3.753 -12.285 -18.763 1.00 0.00 C ATOM 910 O THR A 60 -3.687 -13.359 -18.148 1.00 0.00 O ATOM 911 CB THR A 60 -5.166 -10.211 -19.086 1.00 0.00 C ATOM 912 OG1 THR A 60 -4.327 -9.764 -18.031 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.566 -9.672 -18.711 1.00 0.00 C ATOM 0 H THR A 60 -6.034 -12.724 -17.701 1.00 0.00 H new ATOM 0 HA THR A 60 -5.103 -11.968 -20.366 1.00 0.00 H new ATOM 0 HB THR A 60 -4.878 -9.836 -20.068 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.510 -9.373 -18.406 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.519 -8.590 -18.591 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.275 -9.919 -19.502 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.893 -10.127 -17.776 1.00 0.00 H new ATOM 921 N PHE A 61 -2.684 -11.548 -19.017 1.00 0.00 N ATOM 922 CA PHE A 61 -1.395 -11.872 -18.403 1.00 0.00 C ATOM 923 C PHE A 61 -1.585 -12.067 -16.915 1.00 0.00 C ATOM 924 O PHE A 61 -2.352 -11.268 -16.306 1.00 0.00 O ATOM 925 CB PHE A 61 -0.360 -10.726 -18.621 1.00 0.00 C ATOM 926 CG PHE A 61 0.160 -10.008 -17.366 1.00 0.00 C ATOM 927 CD1 PHE A 61 -0.644 -9.098 -16.675 1.00 0.00 C ATOM 928 CD2 PHE A 61 1.479 -10.218 -16.948 1.00 0.00 C ATOM 929 CE1 PHE A 61 -0.134 -8.406 -15.579 1.00 0.00 C ATOM 930 CE2 PHE A 61 1.998 -9.499 -15.877 1.00 0.00 C ATOM 931 CZ PHE A 61 1.182 -8.618 -15.171 1.00 0.00 C ATOM 0 H PHE A 61 -2.675 -10.734 -19.632 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.018 -12.782 -18.870 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.496 -11.140 -19.154 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.813 -9.980 -19.275 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.663 -8.931 -16.991 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.096 -10.942 -17.459 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.758 -7.705 -15.045 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.032 -9.623 -15.593 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.569 -8.099 -14.307 1.00 0.00 H new ATOM 941 N ARG A 62 -0.987 -13.063 -16.291 1.00 0.00 N ATOM 942 CA ARG A 62 -1.247 -13.313 -14.866 1.00 0.00 C ATOM 943 C ARG A 62 -1.101 -12.025 -14.093 1.00 0.00 C ATOM 944 O ARG A 62 -0.135 -11.268 -14.254 1.00 0.00 O ATOM 945 CB ARG A 62 -0.300 -14.430 -14.357 1.00 0.00 C ATOM 946 CG ARG A 62 -0.564 -15.828 -14.985 1.00 0.00 C ATOM 947 CD ARG A 62 0.701 -16.681 -15.121 1.00 0.00 C ATOM 948 NE ARG A 62 0.649 -17.384 -16.430 1.00 0.00 N ATOM 949 CZ ARG A 62 1.695 -17.691 -17.185 1.00 0.00 C ATOM 950 NH1 ARG A 62 2.930 -17.438 -16.865 1.00 0.00 N ATOM 951 NH2 ARG A 62 1.466 -18.278 -18.306 1.00 0.00 N ATOM 0 H ARG A 62 -0.328 -13.707 -16.728 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.268 -13.663 -14.717 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.730 -14.140 -14.565 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.397 -14.507 -13.274 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.290 -16.362 -14.372 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.013 -15.697 -15.970 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.591 -16.054 -15.061 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.763 -17.401 -14.305 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.271 -17.654 -16.778 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.143 -16.974 -15.982 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.685 -17.704 -17.497 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.508 -18.490 -18.584 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.242 -18.532 -18.917 1.00 0.00 H new ATOM 965 N GLY A 63 -2.075 -11.746 -13.255 1.00 0.00 N ATOM 966 CA GLY A 63 -2.219 -10.410 -12.622 1.00 0.00 C ATOM 967 C GLY A 63 -3.213 -9.684 -13.569 1.00 0.00 C ATOM 968 O GLY A 63 -3.071 -8.526 -13.948 1.00 0.00 O ATOM 0 H GLY A 63 -2.794 -12.416 -12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.609 -10.484 -11.607 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.265 -9.887 -12.560 1.00 0.00 H new ATOM 972 N GLU A 64 -4.215 -10.446 -13.956 1.00 0.00 N ATOM 973 CA GLU A 64 -5.138 -10.134 -15.041 1.00 0.00 C ATOM 974 C GLU A 64 -6.245 -9.203 -14.578 1.00 0.00 C ATOM 975 O GLU A 64 -5.890 -8.138 -14.000 1.00 0.00 O ATOM 976 CB GLU A 64 -5.501 -11.546 -15.646 1.00 0.00 C ATOM 977 CG GLU A 64 -5.852 -12.700 -14.644 1.00 0.00 C ATOM 978 CD GLU A 64 -5.859 -14.137 -15.171 1.00 0.00 C ATOM 979 OE1 GLU A 64 -7.036 -14.498 -15.755 1.00 0.00 O ATOM 980 OE2 GLU A 64 -4.897 -14.887 -15.077 1.00 0.00 O ATOM 0 H GLU A 64 -4.422 -11.339 -13.508 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.740 -9.528 -15.855 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.350 -11.415 -16.317 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.660 -11.876 -16.256 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.142 -12.651 -13.818 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.838 -12.492 -14.229 1.00 0.00 H new ATOM 987 N PRO A 65 -7.520 -9.419 -14.754 1.00 0.00 N ATOM 988 CA PRO A 65 -8.738 -8.508 -14.525 1.00 0.00 C ATOM 989 C PRO A 65 -8.551 -7.228 -13.735 1.00 0.00 C ATOM 990 O PRO A 65 -7.827 -6.326 -14.273 1.00 0.00 O ATOM 991 CB PRO A 65 -9.728 -9.453 -13.845 1.00 0.00 C ATOM 992 CG PRO A 65 -9.626 -10.618 -14.890 1.00 0.00 C ATOM 993 CD PRO A 65 -8.126 -10.686 -15.269 1.00 0.00 C ATOM 0 HA PRO A 65 -9.050 -8.081 -15.478 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.421 -9.748 -12.841 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.732 -9.037 -13.762 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.969 -11.561 -14.464 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.245 -10.419 -15.765 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.649 -11.558 -14.822 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.998 -10.771 -16.348 1.00 0.00 H new ATOM 1001 N SER A 66 -9.119 -7.012 -12.568 1.00 0.00 N ATOM 1002 CA SER A 66 -9.094 -5.683 -11.947 1.00 0.00 C ATOM 1003 C SER A 66 -9.054 -5.671 -10.426 1.00 0.00 C ATOM 1004 O SER A 66 -9.275 -6.643 -9.700 1.00 0.00 O ATOM 1005 CB SER A 66 -10.308 -4.858 -12.446 1.00 0.00 C ATOM 1006 OG SER A 66 -10.317 -4.684 -13.867 1.00 0.00 O ATOM 0 H SER A 66 -9.603 -7.727 -12.025 1.00 0.00 H new ATOM 0 HA SER A 66 -8.149 -5.236 -12.258 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.229 -5.355 -12.140 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.298 -3.880 -11.965 1.00 0.00 H new ATOM 0 HG SER A 66 -9.629 -4.034 -14.121 1.00 0.00 H new ATOM 1012 N TYR A 67 -8.774 -4.477 -9.914 1.00 0.00 N ATOM 1013 CA TYR A 67 -8.824 -4.145 -8.492 1.00 0.00 C ATOM 1014 C TYR A 67 -9.765 -2.980 -8.264 1.00 0.00 C ATOM 1015 O TYR A 67 -9.952 -2.135 -9.155 1.00 0.00 O ATOM 1016 CB TYR A 67 -7.411 -3.760 -7.965 1.00 0.00 C ATOM 1017 CG TYR A 67 -6.394 -4.898 -7.811 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -6.821 -6.219 -7.651 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -5.025 -4.612 -7.818 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -5.891 -7.228 -7.405 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -4.098 -5.621 -7.571 1.00 0.00 C ATOM 1022 CZ TYR A 67 -4.537 -6.916 -7.312 1.00 0.00 C ATOM 1023 OH TYR A 67 -3.639 -7.888 -6.969 1.00 0.00 O ATOM 0 H TYR A 67 -8.497 -3.686 -10.496 1.00 0.00 H new ATOM 0 HA TYR A 67 -9.181 -5.023 -7.953 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.988 -3.016 -8.640 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.531 -3.278 -6.995 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.872 -6.458 -7.718 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.686 -3.606 -8.016 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.220 -8.250 -7.287 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.041 -5.399 -7.580 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.736 -7.507 -6.949 1.00 0.00 H new ATOM 1033 N ASP A 68 -10.396 -2.911 -7.108 1.00 0.00 N ATOM 1034 CA ASP A 68 -11.217 -1.760 -6.725 1.00 0.00 C ATOM 1035 C ASP A 68 -10.625 -1.064 -5.522 1.00 0.00 C ATOM 1036 O ASP A 68 -11.163 -1.104 -4.410 1.00 0.00 O ATOM 1037 CB ASP A 68 -12.683 -2.202 -6.480 1.00 0.00 C ATOM 1038 CG ASP A 68 -13.730 -1.084 -6.368 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -13.204 0.096 -5.922 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -14.912 -1.249 -6.635 1.00 0.00 O ATOM 0 H ASP A 68 -10.359 -3.647 -6.402 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.225 -1.040 -7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.979 -2.865 -7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.713 -2.789 -5.562 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.492 -0.419 -5.734 1.00 0.00 N ATOM 1046 CA LEU A 69 -8.711 0.161 -4.640 1.00 0.00 C ATOM 1047 C LEU A 69 -8.977 1.626 -4.356 1.00 0.00 C ATOM 1048 O LEU A 69 -8.063 2.488 -4.445 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.189 -0.044 -4.930 1.00 0.00 C ATOM 1050 CG LEU A 69 -6.728 -1.026 -6.036 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -5.980 -0.264 -7.142 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -5.840 -2.160 -5.500 1.00 0.00 C ATOM 0 H LEU A 69 -9.084 -0.280 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.030 -0.368 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.773 0.934 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.724 -0.366 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.630 -1.487 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.661 -0.964 -7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.642 0.483 -7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.107 0.230 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.550 -2.814 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.947 -1.737 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.393 -2.735 -4.757 1.00 0.00 H new ATOM 1064 N GLN A 70 -10.177 2.004 -3.964 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.440 3.351 -3.451 1.00 0.00 C ATOM 1066 C GLN A 70 -10.120 3.427 -1.970 1.00 0.00 C ATOM 1067 O GLN A 70 -10.462 4.350 -1.226 1.00 0.00 O ATOM 1068 CB GLN A 70 -11.912 3.711 -3.754 1.00 0.00 C ATOM 1069 CG GLN A 70 -12.564 2.823 -4.887 1.00 0.00 C ATOM 1070 CD GLN A 70 -13.682 3.370 -5.770 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -13.441 3.703 -7.014 1.00 0.00 O flip ATOM 1072 NE2 GLN A 70 -14.823 3.492 -5.344 1.00 0.00 N flip ATOM 0 H GLN A 70 -10.997 1.398 -3.988 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.796 4.080 -3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.498 3.606 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.967 4.759 -4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.758 2.510 -5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.949 1.924 -4.406 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.037 3.240 -4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.560 3.846 -5.954 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.399 2.414 -1.503 1.00 0.00 N ATOM 1082 CA ASN A 71 -8.870 2.278 -0.148 1.00 0.00 C ATOM 1083 C ASN A 71 -7.463 2.807 -0.007 1.00 0.00 C ATOM 1084 O ASN A 71 -7.112 3.508 0.949 1.00 0.00 O ATOM 1085 CB ASN A 71 -8.902 0.758 0.218 1.00 0.00 C ATOM 1086 CG ASN A 71 -10.284 0.096 0.218 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -10.869 -0.247 1.233 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -10.873 -0.094 -0.938 1.00 0.00 N ATOM 0 H ASN A 71 -9.153 1.619 -2.093 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.487 2.872 0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.264 0.222 -0.485 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.461 0.633 1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.799 -0.520 -0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.405 0.184 -1.801 1.00 0.00 H new ATOM 1095 N ALA A 72 -6.618 2.449 -0.959 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.187 2.729 -0.904 1.00 0.00 C ATOM 1097 C ALA A 72 -4.899 4.205 -0.735 1.00 0.00 C ATOM 1098 O ALA A 72 -5.776 5.075 -0.749 1.00 0.00 O ATOM 1099 CB ALA A 72 -4.550 2.157 -2.185 1.00 0.00 C ATOM 0 H ALA A 72 -6.906 1.951 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.750 2.252 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.477 2.350 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.725 1.082 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.997 2.634 -3.058 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.618 4.510 -0.584 1.00 0.00 N ATOM 1106 CA ALA A 73 -3.121 5.879 -0.498 1.00 0.00 C ATOM 1107 C ALA A 73 -2.212 6.192 -1.664 1.00 0.00 C ATOM 1108 O ALA A 73 -2.358 5.622 -2.759 1.00 0.00 O ATOM 1109 CB ALA A 73 -2.427 6.038 0.867 1.00 0.00 C ATOM 0 H ALA A 73 -2.884 3.805 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.937 6.599 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.043 7.053 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.144 5.844 1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.602 5.329 0.940 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.247 7.072 -1.468 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.257 7.367 -2.504 1.00 0.00 C ATOM 1117 C ILE A 74 1.024 7.905 -1.907 1.00 0.00 C ATOM 1118 O ILE A 74 1.075 8.417 -0.785 1.00 0.00 O ATOM 1119 CB ILE A 74 -0.844 8.344 -3.601 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -1.326 7.639 -4.910 1.00 0.00 C ATOM 1121 CG2 ILE A 74 0.150 9.477 -4.003 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -1.842 8.569 -6.025 1.00 0.00 C ATOM 0 H ILE A 74 -1.122 7.598 -0.603 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.013 6.429 -3.002 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.714 8.770 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.499 7.050 -5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.120 6.939 -4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.310 10.114 -4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.395 10.075 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.061 9.035 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.149 7.972 -6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.694 9.140 -5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.048 9.254 -6.324 1.00 0.00 H new ATOM 1134 N GLU A 75 2.094 7.800 -2.680 1.00 0.00 N ATOM 1135 CA GLU A 75 3.382 8.393 -2.332 1.00 0.00 C ATOM 1136 C GLU A 75 4.321 8.374 -3.518 1.00 0.00 C ATOM 1137 O GLU A 75 4.138 7.615 -4.477 1.00 0.00 O ATOM 1138 CB GLU A 75 3.979 7.613 -1.129 1.00 0.00 C ATOM 1139 CG GLU A 75 5.529 7.693 -0.922 1.00 0.00 C ATOM 1140 CD GLU A 75 6.187 6.714 0.051 1.00 0.00 C ATOM 1141 OE1 GLU A 75 5.593 5.761 0.542 1.00 0.00 O ATOM 1142 OE2 GLU A 75 7.491 7.000 0.321 1.00 0.00 O ATOM 0 H GLU A 75 2.097 7.300 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 75 3.243 9.437 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.498 7.974 -0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.707 6.563 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.001 7.560 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.767 8.703 -0.588 1.00 0.00 H new ATOM 1149 N ILE A 76 5.331 9.222 -3.482 1.00 0.00 N ATOM 1150 CA ILE A 76 6.267 9.372 -4.594 1.00 0.00 C ATOM 1151 C ILE A 76 7.661 8.959 -4.183 1.00 0.00 C ATOM 1152 O ILE A 76 8.023 8.976 -3.000 1.00 0.00 O ATOM 1153 CB ILE A 76 6.237 10.843 -5.178 1.00 0.00 C ATOM 1154 CG1 ILE A 76 4.806 11.426 -5.405 1.00 0.00 C ATOM 1155 CG2 ILE A 76 7.033 10.980 -6.513 1.00 0.00 C ATOM 1156 CD1 ILE A 76 4.166 12.133 -4.193 1.00 0.00 C ATOM 0 H ILE A 76 5.531 9.828 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 76 5.950 8.705 -5.395 1.00 0.00 H new ATOM 0 HB ILE A 76 6.718 11.425 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.850 12.134 -6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.149 10.614 -5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.977 12.010 -6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.076 10.710 -6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.603 10.316 -7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.176 12.497 -4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.079 11.429 -3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.791 12.973 -3.890 1.00 0.00 H new ATOM 1168 N ALA A 77 8.479 8.600 -5.155 1.00 0.00 N ATOM 1169 CA ALA A 77 9.884 8.287 -4.906 1.00 0.00 C ATOM 1170 C ALA A 77 10.589 9.450 -4.248 1.00 0.00 C ATOM 1171 O ALA A 77 10.034 10.547 -4.097 1.00 0.00 O ATOM 1172 CB ALA A 77 10.522 7.888 -6.248 1.00 0.00 C ATOM 0 H ALA A 77 8.197 8.516 -6.132 1.00 0.00 H new ATOM 0 HA ALA A 77 9.976 7.454 -4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.574 7.648 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.006 7.016 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.438 8.717 -6.951 1.00 0.00 H new ATOM 1236 N LYS A 82 16.902 6.751 -10.870 1.00 0.00 N ATOM 1237 CA LYS A 82 16.157 6.418 -12.080 1.00 0.00 C ATOM 1238 C LYS A 82 14.678 6.294 -11.786 1.00 0.00 C ATOM 1239 O LYS A 82 13.818 6.934 -12.398 1.00 0.00 O ATOM 1240 CB LYS A 82 16.713 5.100 -12.686 1.00 0.00 C ATOM 1241 CG LYS A 82 17.994 4.569 -11.996 1.00 0.00 C ATOM 1242 CD LYS A 82 17.762 3.552 -10.873 1.00 0.00 C ATOM 1243 CE LYS A 82 18.982 2.627 -10.770 1.00 0.00 C ATOM 1244 NZ LYS A 82 19.630 2.813 -9.459 1.00 0.00 N ATOM 0 HA LYS A 82 16.282 7.222 -12.805 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.940 4.334 -12.629 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.925 5.261 -13.743 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.630 4.110 -12.753 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.544 5.417 -11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.601 4.068 -9.926 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.864 2.968 -11.075 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.675 1.588 -10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.688 2.847 -11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.457 2.186 -9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.936 3.802 -9.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.955 2.582 -8.702 1.00 0.00 H new ATOM 1258 N LYS A 83 14.364 5.465 -10.807 1.00 0.00 N ATOM 1259 CA LYS A 83 13.008 5.305 -10.287 1.00 0.00 C ATOM 1260 C LYS A 83 12.565 6.463 -9.419 1.00 0.00 C ATOM 1261 O LYS A 83 11.457 6.456 -8.861 1.00 0.00 O ATOM 1262 CB LYS A 83 12.946 3.985 -9.466 1.00 0.00 C ATOM 1263 CG LYS A 83 13.494 2.759 -10.236 1.00 0.00 C ATOM 1264 CD LYS A 83 13.124 1.392 -9.654 1.00 0.00 C ATOM 1265 CE LYS A 83 13.077 0.359 -10.790 1.00 0.00 C ATOM 1266 NZ LYS A 83 13.408 -0.973 -10.256 1.00 0.00 N ATOM 0 H LYS A 83 15.051 4.873 -10.340 1.00 0.00 H new ATOM 0 HA LYS A 83 12.328 5.275 -11.138 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.515 4.111 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.912 3.792 -9.178 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.132 2.806 -11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.581 2.834 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.855 1.092 -8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.157 1.445 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.085 0.345 -11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.782 0.633 -11.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.866 -1.540 -10.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.055 -0.872 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.537 -1.448 -9.944 1.00 0.00 H new ATOM 1280 N LYS A 84 13.398 7.481 -9.275 1.00 0.00 N ATOM 1281 CA LYS A 84 13.022 8.720 -8.576 1.00 0.00 C ATOM 1282 C LYS A 84 12.177 9.677 -9.405 1.00 0.00 C ATOM 1283 O LYS A 84 12.020 10.867 -9.112 1.00 0.00 O ATOM 1284 CB LYS A 84 14.333 9.404 -8.090 1.00 0.00 C ATOM 1285 CG LYS A 84 14.318 10.931 -7.853 1.00 0.00 C ATOM 1286 CD LYS A 84 14.764 11.403 -6.467 1.00 0.00 C ATOM 1287 CE LYS A 84 15.418 12.786 -6.593 1.00 0.00 C ATOM 1288 NZ LYS A 84 16.880 12.647 -6.484 1.00 0.00 N ATOM 0 H LYS A 84 14.353 7.482 -9.634 1.00 0.00 H new ATOM 0 HA LYS A 84 12.379 8.452 -7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.632 8.926 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 84 15.111 9.189 -8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.961 11.400 -8.598 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.306 11.296 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.909 11.452 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.469 10.692 -6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.155 13.239 -7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.045 13.449 -5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.325 13.583 -6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.121 12.231 -5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.228 12.028 -7.244 1.00 0.00 H new ATOM 1302 N HIS A 85 11.573 9.154 -10.456 1.00 0.00 N ATOM 1303 CA HIS A 85 10.591 9.868 -11.270 1.00 0.00 C ATOM 1304 C HIS A 85 9.332 9.031 -11.380 1.00 0.00 C ATOM 1305 O HIS A 85 8.642 8.955 -12.400 1.00 0.00 O ATOM 1306 CB HIS A 85 11.231 10.093 -12.649 1.00 0.00 C ATOM 1307 CG HIS A 85 12.472 10.934 -12.568 1.00 0.00 C ATOM 1308 ND1 HIS A 85 12.513 12.325 -12.529 1.00 0.00 N ATOM 1309 CD2 HIS A 85 13.746 10.386 -12.520 1.00 0.00 C ATOM 1310 CE1 HIS A 85 13.844 12.514 -12.455 1.00 0.00 C ATOM 1311 NE2 HIS A 85 14.648 11.416 -12.448 1.00 0.00 N ATOM 0 H HIS A 85 11.751 8.203 -10.779 1.00 0.00 H new ATOM 0 HA HIS A 85 10.315 10.825 -10.828 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.476 9.129 -13.096 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.509 10.576 -13.308 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.985 9.333 -12.536 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.262 13.509 -12.403 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.666 11.371 -12.401 1.00 0.00 H new ATOM 1319 N VAL A 86 9.030 8.347 -10.284 1.00 0.00 N ATOM 1320 CA VAL A 86 7.954 7.364 -10.228 1.00 0.00 C ATOM 1321 C VAL A 86 6.867 7.784 -9.264 1.00 0.00 C ATOM 1322 O VAL A 86 7.080 8.546 -8.315 1.00 0.00 O ATOM 1323 CB VAL A 86 8.548 5.957 -9.814 1.00 0.00 C ATOM 1324 CG1 VAL A 86 8.794 5.734 -8.296 1.00 0.00 C ATOM 1325 CG2 VAL A 86 7.692 4.751 -10.268 1.00 0.00 C ATOM 0 H VAL A 86 9.529 8.459 -9.401 1.00 0.00 H new ATOM 0 HA VAL A 86 7.501 7.292 -11.217 1.00 0.00 H new ATOM 0 HB VAL A 86 9.503 5.999 -10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.201 4.736 -8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.501 6.478 -7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.852 5.832 -7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.168 3.825 -9.945 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.699 4.822 -9.825 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.605 4.755 -11.355 1.00 0.00 H new ATOM 1335 N LEU A 87 5.676 7.262 -9.491 1.00 0.00 N ATOM 1336 CA LEU A 87 4.547 7.434 -8.583 1.00 0.00 C ATOM 1337 C LEU A 87 4.004 6.091 -8.154 1.00 0.00 C ATOM 1338 O LEU A 87 4.149 5.093 -8.882 1.00 0.00 O ATOM 1339 CB LEU A 87 3.445 8.310 -9.244 1.00 0.00 C ATOM 1340 CG LEU A 87 2.880 7.841 -10.614 1.00 0.00 C ATOM 1341 CD1 LEU A 87 1.344 7.813 -10.633 1.00 0.00 C ATOM 1342 CD2 LEU A 87 3.401 8.751 -11.735 1.00 0.00 C ATOM 0 H LEU A 87 5.459 6.702 -10.315 1.00 0.00 H new ATOM 0 HA LEU A 87 4.892 7.954 -7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.612 8.386 -8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.847 9.315 -9.372 1.00 0.00 H new ATOM 0 HG LEU A 87 3.226 6.820 -10.776 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.998 7.479 -11.611 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.983 7.127 -9.867 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.959 8.813 -10.434 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.000 8.416 -12.692 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.083 9.777 -11.548 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.490 8.708 -11.762 1.00 0.00 H new ATOM 1354 N ARG A 88 3.398 6.014 -6.986 1.00 0.00 N ATOM 1355 CA ARG A 88 2.978 4.726 -6.430 1.00 0.00 C ATOM 1356 C ARG A 88 1.812 4.859 -5.477 1.00 0.00 C ATOM 1357 O ARG A 88 1.802 5.693 -4.565 1.00 0.00 O ATOM 1358 CB ARG A 88 4.199 4.075 -5.725 1.00 0.00 C ATOM 1359 CG ARG A 88 4.563 4.677 -4.341 1.00 0.00 C ATOM 1360 CD ARG A 88 6.069 4.932 -4.188 1.00 0.00 C ATOM 1361 NE ARG A 88 6.586 4.062 -3.102 1.00 0.00 N ATOM 1362 CZ ARG A 88 7.730 4.237 -2.454 1.00 0.00 C ATOM 1363 NH1 ARG A 88 8.564 5.206 -2.688 1.00 0.00 N ATOM 1364 NH2 ARG A 88 8.029 3.388 -1.536 1.00 0.00 N ATOM 0 H ARG A 88 3.182 6.820 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 88 2.629 4.092 -7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.000 3.011 -5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.066 4.162 -6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.023 5.614 -4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.231 3.999 -3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.586 4.718 -5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.254 5.980 -3.954 1.00 0.00 H new ATOM 0 HE ARG A 88 6.013 3.262 -2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.356 5.895 -3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.427 5.278 -2.149 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.396 2.616 -1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.900 3.487 -1.014 1.00 0.00 H new ATOM 1378 N VAL A 89 0.811 4.012 -5.663 1.00 0.00 N ATOM 1379 CA VAL A 89 -0.301 3.937 -4.714 1.00 0.00 C ATOM 1380 C VAL A 89 -0.142 2.735 -3.813 1.00 0.00 C ATOM 1381 O VAL A 89 0.424 1.704 -4.202 1.00 0.00 O ATOM 1382 CB VAL A 89 -1.692 3.889 -5.465 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -1.662 3.396 -6.940 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -2.754 3.012 -4.754 1.00 0.00 C ATOM 0 H VAL A 89 0.741 3.371 -6.453 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.284 4.838 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.957 4.946 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.673 3.407 -7.348 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.025 4.054 -7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.267 2.381 -6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.681 3.027 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.390 1.987 -4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.939 3.404 -3.754 1.00 0.00 H new ATOM 1394 N LYS A 90 -0.615 2.846 -2.585 1.00 0.00 N ATOM 1395 CA LYS A 90 -0.391 1.810 -1.579 1.00 0.00 C ATOM 1396 C LYS A 90 -1.680 1.417 -0.893 1.00 0.00 C ATOM 1397 O LYS A 90 -2.205 2.129 -0.029 1.00 0.00 O ATOM 1398 CB LYS A 90 0.653 2.316 -0.545 1.00 0.00 C ATOM 1399 CG LYS A 90 0.908 1.315 0.610 1.00 0.00 C ATOM 1400 CD LYS A 90 0.463 1.800 1.993 1.00 0.00 C ATOM 1401 CE LYS A 90 1.639 1.689 2.970 1.00 0.00 C ATOM 1402 NZ LYS A 90 1.213 2.149 4.304 1.00 0.00 N ATOM 0 H LYS A 90 -1.159 3.643 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.007 0.918 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.594 2.516 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.310 3.263 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.391 0.383 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.973 1.088 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.119 2.833 1.936 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.377 1.203 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.986 0.657 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.477 2.289 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.010 2.074 4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.902 3.140 4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.426 1.558 4.640 1.00 0.00 H new ATOM 1416 N LEU A 91 -2.196 0.258 -1.254 1.00 0.00 N ATOM 1417 CA LEU A 91 -3.357 -0.320 -0.582 1.00 0.00 C ATOM 1418 C LEU A 91 -3.049 -0.628 0.864 1.00 0.00 C ATOM 1419 O LEU A 91 -1.901 -0.563 1.317 1.00 0.00 O ATOM 1420 CB LEU A 91 -3.838 -1.596 -1.330 1.00 0.00 C ATOM 1421 CG LEU A 91 -4.964 -1.444 -2.390 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -5.717 -2.759 -2.657 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -5.960 -0.361 -1.952 1.00 0.00 C ATOM 0 H LEU A 91 -1.829 -0.311 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.162 0.414 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.973 -2.039 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.179 -2.312 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.479 -1.154 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.491 -2.590 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.018 -3.511 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.177 -3.109 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.745 -0.263 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.404 -0.640 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.439 0.591 -1.845 1.00 0.00 H new ATOM 1435 N ALA A 92 -4.079 -0.975 1.614 1.00 0.00 N ATOM 1436 CA ALA A 92 -3.916 -1.434 2.991 1.00 0.00 C ATOM 1437 C ALA A 92 -3.434 -2.865 3.034 1.00 0.00 C ATOM 1438 O ALA A 92 -2.704 -3.279 3.946 1.00 0.00 O ATOM 1439 CB ALA A 92 -5.262 -1.238 3.710 1.00 0.00 C ATOM 0 H ALA A 92 -5.047 -0.949 1.294 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.150 -0.853 3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.174 -1.572 4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.534 -0.183 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.033 -1.820 3.205 1.00 0.00 H new ATOM 1445 N ASN A 93 -3.846 -3.657 2.062 1.00 0.00 N ATOM 1446 CA ASN A 93 -3.499 -5.078 2.030 1.00 0.00 C ATOM 1447 C ASN A 93 -2.018 -5.282 1.809 1.00 0.00 C ATOM 1448 O ASN A 93 -1.473 -6.363 2.110 1.00 0.00 O ATOM 1449 CB ASN A 93 -4.322 -5.791 0.918 1.00 0.00 C ATOM 1450 CG ASN A 93 -3.694 -5.857 -0.479 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -4.107 -5.019 -1.391 1.00 0.00 O flip ATOM 1452 ND2 ASN A 93 -2.839 -6.678 -0.776 1.00 0.00 N flip ATOM 0 H ASN A 93 -4.422 -3.346 1.280 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.746 -5.514 2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.524 -6.810 1.247 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.285 -5.287 0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.504 -7.341 -0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.461 -6.700 -1.723 1.00 0.00 H new ATOM 1459 N GLY A 94 -1.325 -4.296 1.271 1.00 0.00 N ATOM 1460 CA GLY A 94 0.110 -4.417 1.002 1.00 0.00 C ATOM 1461 C GLY A 94 0.428 -4.187 -0.456 1.00 0.00 C ATOM 1462 O GLY A 94 1.565 -3.846 -0.821 1.00 0.00 O ATOM 0 H GLY A 94 -1.727 -3.396 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.656 -3.697 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.453 -5.409 1.297 1.00 0.00 H new ATOM 1466 N ALA A 95 -0.545 -4.387 -1.325 1.00 0.00 N ATOM 1467 CA ALA A 95 -0.391 -4.117 -2.754 1.00 0.00 C ATOM 1468 C ALA A 95 0.236 -2.764 -2.999 1.00 0.00 C ATOM 1469 O ALA A 95 -0.009 -1.787 -2.283 1.00 0.00 O ATOM 1470 CB ALA A 95 -1.778 -4.250 -3.407 1.00 0.00 C ATOM 0 H ALA A 95 -1.466 -4.741 -1.067 1.00 0.00 H new ATOM 0 HA ALA A 95 0.292 -4.837 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.697 -4.054 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.158 -5.259 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.462 -3.531 -2.957 1.00 0.00 H new ATOM 1476 N LEU A 96 1.080 -2.698 -4.012 1.00 0.00 N ATOM 1477 CA LEU A 96 1.658 -1.438 -4.471 1.00 0.00 C ATOM 1478 C LEU A 96 1.732 -1.398 -5.979 1.00 0.00 C ATOM 1479 O LEU A 96 2.100 -2.373 -6.645 1.00 0.00 O ATOM 1480 CB LEU A 96 3.062 -1.216 -3.839 1.00 0.00 C ATOM 1481 CG LEU A 96 3.312 0.087 -3.034 1.00 0.00 C ATOM 1482 CD1 LEU A 96 4.396 -0.150 -1.971 1.00 0.00 C ATOM 1483 CD2 LEU A 96 3.718 1.271 -3.928 1.00 0.00 C ATOM 0 H LEU A 96 1.387 -3.513 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 96 1.008 -0.626 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.265 -2.059 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.798 -1.256 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 96 2.368 0.349 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.564 0.770 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.071 -0.935 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.323 -0.453 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.880 2.155 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.638 1.027 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.925 1.472 -4.648 1.00 0.00 H new ATOM 1495 N PHE A 97 1.402 -0.249 -6.541 1.00 0.00 N ATOM 1496 CA PHE A 97 1.464 -0.042 -7.984 1.00 0.00 C ATOM 1497 C PHE A 97 2.327 1.158 -8.311 1.00 0.00 C ATOM 1498 O PHE A 97 1.850 2.300 -8.331 1.00 0.00 O ATOM 1499 CB PHE A 97 0.028 0.175 -8.559 1.00 0.00 C ATOM 1500 CG PHE A 97 -1.059 -0.754 -7.997 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.631 -0.477 -6.750 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -1.437 -1.910 -8.685 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -2.538 -1.366 -6.180 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -2.346 -2.798 -8.114 1.00 0.00 C ATOM 1505 CZ PHE A 97 -2.870 -2.542 -6.848 1.00 0.00 C ATOM 0 H PHE A 97 1.084 0.566 -6.016 1.00 0.00 H new ATOM 0 HA PHE A 97 1.904 -0.929 -8.439 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.268 1.207 -8.370 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.066 0.048 -9.641 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.367 0.431 -6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.024 -2.115 -9.661 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.983 -1.144 -5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.645 -3.685 -8.653 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.534 -3.256 -6.385 1.00 0.00 H new ATOM 1515 N LEU A 98 3.608 0.915 -8.541 1.00 0.00 N ATOM 1516 CA LEU A 98 4.540 1.970 -8.937 1.00 0.00 C ATOM 1517 C LEU A 98 4.424 2.258 -10.414 1.00 0.00 C ATOM 1518 O LEU A 98 4.049 1.384 -11.213 1.00 0.00 O ATOM 1519 CB LEU A 98 6.013 1.609 -8.574 1.00 0.00 C ATOM 1520 CG LEU A 98 6.419 1.560 -7.075 1.00 0.00 C ATOM 1521 CD1 LEU A 98 7.378 0.389 -6.824 1.00 0.00 C ATOM 1522 CD2 LEU A 98 7.079 2.868 -6.601 1.00 0.00 C ATOM 0 H LEU A 98 4.032 -0.009 -8.461 1.00 0.00 H new ATOM 0 HA LEU A 98 4.269 2.866 -8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.231 0.633 -9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.662 2.331 -9.069 1.00 0.00 H new ATOM 0 HG LEU A 98 5.501 1.424 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.655 0.365 -5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.887 -0.547 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.274 0.516 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.343 2.781 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.979 3.054 -7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.382 3.696 -6.733 1.00 0.00 H new ATOM 1534 N LEU A 99 4.717 3.482 -10.818 1.00 0.00 N ATOM 1535 CA LEU A 99 4.563 3.883 -12.215 1.00 0.00 C ATOM 1536 C LEU A 99 5.763 4.663 -12.703 1.00 0.00 C ATOM 1537 O LEU A 99 6.038 5.782 -12.246 1.00 0.00 O ATOM 1538 CB LEU A 99 3.260 4.712 -12.409 1.00 0.00 C ATOM 1539 CG LEU A 99 2.138 4.599 -11.338 1.00 0.00 C ATOM 1540 CD1 LEU A 99 0.865 5.297 -11.852 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.796 3.147 -10.970 1.00 0.00 C ATOM 0 H LEU A 99 5.063 4.218 -10.203 1.00 0.00 H new ATOM 0 HA LEU A 99 4.490 2.974 -12.812 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.544 5.762 -12.481 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.829 4.431 -13.370 1.00 0.00 H new ATOM 0 HG LEU A 99 2.515 5.082 -10.436 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.078 5.218 -11.102 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.079 6.348 -12.044 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.535 4.819 -12.775 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.007 3.138 -10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.456 2.617 -11.860 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.683 2.654 -10.571 1.00 0.00 H new ATOM 1553 N GLN A 100 6.485 4.106 -13.655 1.00 0.00 N ATOM 1554 CA GLN A 100 7.583 4.800 -14.321 1.00 0.00 C ATOM 1555 C GLN A 100 7.222 5.162 -15.744 1.00 0.00 C ATOM 1556 O GLN A 100 7.480 4.386 -16.676 1.00 0.00 O ATOM 1557 CB GLN A 100 8.844 3.902 -14.302 1.00 0.00 C ATOM 1558 CG GLN A 100 10.046 4.537 -15.115 1.00 0.00 C ATOM 1559 CD GLN A 100 11.492 4.169 -14.796 1.00 0.00 C ATOM 1560 OE1 GLN A 100 12.097 3.338 -15.463 1.00 0.00 O ATOM 1561 NE2 GLN A 100 12.111 4.722 -13.781 1.00 0.00 N ATOM 0 H GLN A 100 6.331 3.156 -13.994 1.00 0.00 H new ATOM 0 HA GLN A 100 7.783 5.727 -13.784 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.154 3.736 -13.270 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.599 2.927 -14.722 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.881 4.300 -16.166 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.963 5.619 -15.015 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.632 5.417 -13.208 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.072 4.457 -13.564 1.00 0.00 H new ATOM 1570 N ALA A 101 6.683 6.349 -15.951 1.00 0.00 N ATOM 1571 CA ALA A 101 6.137 6.738 -17.251 1.00 0.00 C ATOM 1572 C ALA A 101 7.227 7.133 -18.229 1.00 0.00 C ATOM 1573 O ALA A 101 8.367 7.451 -17.877 1.00 0.00 O ATOM 1574 CB ALA A 101 5.115 7.862 -17.003 1.00 0.00 C ATOM 0 H ALA A 101 6.608 7.070 -15.233 1.00 0.00 H new ATOM 0 HA ALA A 101 5.638 5.892 -17.724 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.685 8.179 -17.953 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.322 7.496 -16.350 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.613 8.708 -16.530 1.00 0.00 H new ATOM 1580 N HIS A 102 6.867 7.114 -19.499 1.00 0.00 N ATOM 1581 CA HIS A 102 7.803 7.301 -20.603 1.00 0.00 C ATOM 1582 C HIS A 102 7.979 8.753 -20.976 1.00 0.00 C ATOM 1583 O HIS A 102 9.107 9.202 -21.271 1.00 0.00 O ATOM 1584 CB HIS A 102 7.200 6.529 -21.795 1.00 0.00 C ATOM 1585 CG HIS A 102 8.011 5.328 -22.187 1.00 0.00 C ATOM 1586 ND1 HIS A 102 7.517 4.186 -22.818 1.00 0.00 N ATOM 1587 CD2 HIS A 102 9.376 5.231 -21.958 1.00 0.00 C ATOM 1588 CE1 HIS A 102 8.655 3.476 -22.928 1.00 0.00 C ATOM 1589 NE2 HIS A 102 9.803 4.021 -22.442 1.00 0.00 N ATOM 0 H HIS A 102 5.904 6.967 -19.802 1.00 0.00 H new ATOM 0 HA HIS A 102 8.792 6.941 -20.319 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.189 6.211 -21.540 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.117 7.199 -22.650 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.994 5.978 -21.482 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.657 2.500 -23.390 1.00 0.00 H new ATOM 0 HE2 HIS A 102 10.744 3.628 -22.439 1.00 0.00 H new ATOM 1597 N ASP A 103 6.915 9.530 -20.995 1.00 0.00 N ATOM 1598 CA ASP A 103 6.962 10.894 -21.523 1.00 0.00 C ATOM 1599 C ASP A 103 7.525 11.881 -20.524 1.00 0.00 C ATOM 1600 O ASP A 103 8.201 12.849 -20.896 1.00 0.00 O ATOM 1601 CB ASP A 103 5.550 11.317 -22.005 1.00 0.00 C ATOM 1602 CG ASP A 103 4.711 10.241 -22.710 1.00 0.00 C ATOM 1603 OD1 ASP A 103 3.945 9.513 -21.844 1.00 0.00 O ATOM 1604 OD2 ASP A 103 4.744 10.056 -23.919 1.00 0.00 O ATOM 0 H ASP A 103 5.998 9.245 -20.650 1.00 0.00 H new ATOM 0 HA ASP A 103 7.645 10.902 -22.373 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.989 11.675 -21.142 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.661 12.161 -22.685 1.00 0.00 H new ATOM 1609 N ASP A 104 7.235 11.676 -19.256 1.00 0.00 N ATOM 1610 CA ASP A 104 7.557 12.599 -18.167 1.00 0.00 C ATOM 1611 C ASP A 104 6.436 13.591 -17.960 1.00 0.00 C ATOM 1612 O ASP A 104 6.234 14.104 -16.842 1.00 0.00 O ATOM 1613 CB ASP A 104 8.917 13.316 -18.398 1.00 0.00 C ATOM 1614 CG ASP A 104 9.722 13.690 -17.145 1.00 0.00 C ATOM 1615 OD1 ASP A 104 8.983 14.381 -16.225 1.00 0.00 O ATOM 1616 OD2 ASP A 104 10.904 13.411 -17.004 1.00 0.00 O ATOM 0 H ASP A 104 6.752 10.836 -18.936 1.00 0.00 H new ATOM 0 HA ASP A 104 7.662 12.011 -17.255 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.538 12.674 -19.022 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.729 14.227 -18.966 1.00 0.00 H new ATOM 1621 N THR A 105 5.693 13.918 -19.001 1.00 0.00 N ATOM 1622 CA THR A 105 4.495 14.746 -18.865 1.00 0.00 C ATOM 1623 C THR A 105 3.315 13.898 -18.454 1.00 0.00 C ATOM 1624 O THR A 105 2.416 14.317 -17.710 1.00 0.00 O ATOM 1625 CB THR A 105 4.199 15.517 -20.195 1.00 0.00 C ATOM 1626 OG1 THR A 105 4.781 16.813 -20.161 1.00 0.00 O ATOM 1627 CG2 THR A 105 2.711 15.769 -20.523 1.00 0.00 C ATOM 0 H THR A 105 5.894 13.624 -19.957 1.00 0.00 H new ATOM 0 HA THR A 105 4.671 15.486 -18.084 1.00 0.00 H new ATOM 0 HB THR A 105 4.616 14.851 -20.951 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.588 17.280 -21.000 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.633 16.310 -21.466 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.190 14.815 -20.608 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.258 16.360 -19.727 1.00 0.00 H new ATOM 1635 N GLU A 106 3.315 12.662 -18.913 1.00 0.00 N ATOM 1636 CA GLU A 106 2.336 11.657 -18.502 1.00 0.00 C ATOM 1637 C GLU A 106 2.764 11.063 -17.177 1.00 0.00 C ATOM 1638 O GLU A 106 1.956 10.567 -16.387 1.00 0.00 O ATOM 1639 CB GLU A 106 2.229 10.608 -19.656 1.00 0.00 C ATOM 1640 CG GLU A 106 2.690 9.154 -19.296 1.00 0.00 C ATOM 1641 CD GLU A 106 1.970 7.968 -19.938 1.00 0.00 C ATOM 1642 OE1 GLU A 106 0.765 7.957 -20.158 1.00 0.00 O ATOM 1643 OE2 GLU A 106 2.793 6.926 -20.244 1.00 0.00 O ATOM 0 H GLU A 106 3.998 12.317 -19.588 1.00 0.00 H new ATOM 0 HA GLU A 106 1.344 12.079 -18.340 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.193 10.568 -19.992 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.824 10.960 -20.499 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.747 9.072 -19.547 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.610 9.042 -18.215 1.00 0.00 H new ATOM 1650 N MET A 107 4.063 11.079 -16.932 1.00 0.00 N ATOM 1651 CA MET A 107 4.636 10.691 -15.646 1.00 0.00 C ATOM 1652 C MET A 107 3.968 11.426 -14.508 1.00 0.00 C ATOM 1653 O MET A 107 3.477 10.838 -13.537 1.00 0.00 O ATOM 1654 CB MET A 107 6.166 10.962 -15.648 1.00 0.00 C ATOM 1655 CG MET A 107 6.967 10.599 -14.382 1.00 0.00 C ATOM 1656 SD MET A 107 8.673 11.149 -14.576 1.00 0.00 S ATOM 1657 CE MET A 107 9.258 9.820 -15.637 1.00 0.00 C ATOM 0 H MET A 107 4.758 11.363 -17.622 1.00 0.00 H new ATOM 0 HA MET A 107 4.463 9.625 -15.498 1.00 0.00 H new ATOM 0 HB2 MET A 107 6.601 10.417 -16.486 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.317 12.023 -15.846 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.519 11.070 -13.507 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.937 9.522 -14.215 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.301 9.603 -15.406 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.655 8.928 -15.468 1.00 0.00 H new ATOM 0 HE3 MET A 107 9.173 10.123 -16.681 1.00 0.00 H new ATOM 1667 N SER A 108 3.955 12.747 -14.594 1.00 0.00 N ATOM 1668 CA SER A 108 3.342 13.575 -13.559 1.00 0.00 C ATOM 1669 C SER A 108 1.842 13.389 -13.543 1.00 0.00 C ATOM 1670 O SER A 108 1.239 13.114 -12.498 1.00 0.00 O ATOM 1671 CB SER A 108 3.735 15.063 -13.732 1.00 0.00 C ATOM 1672 OG SER A 108 4.101 15.690 -12.497 1.00 0.00 O ATOM 0 H SER A 108 4.361 13.272 -15.369 1.00 0.00 H new ATOM 0 HA SER A 108 3.723 13.251 -12.591 1.00 0.00 H new ATOM 0 HB2 SER A 108 4.568 15.135 -14.431 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.900 15.605 -14.175 1.00 0.00 H new ATOM 0 HG SER A 108 4.341 16.625 -12.664 1.00 0.00 H new ATOM 1678 N GLN A 109 1.224 13.512 -14.703 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.205 13.248 -14.866 1.00 0.00 C ATOM 1680 C GLN A 109 -0.604 11.939 -14.224 1.00 0.00 C ATOM 1681 O GLN A 109 -1.691 11.854 -13.613 1.00 0.00 O ATOM 1682 CB GLN A 109 -0.528 13.250 -16.376 1.00 0.00 C ATOM 1683 CG GLN A 109 -0.621 14.656 -17.057 1.00 0.00 C ATOM 1684 CD GLN A 109 -1.778 15.590 -16.684 1.00 0.00 C ATOM 1685 OE1 GLN A 109 -2.462 15.379 -15.693 1.00 0.00 O ATOM 1686 NE2 GLN A 109 -2.031 16.645 -17.414 1.00 0.00 N ATOM 0 H GLN A 109 1.693 13.797 -15.563 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.779 14.027 -14.363 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.237 12.669 -16.891 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.476 12.733 -16.525 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.309 15.185 -16.847 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.661 14.497 -18.135 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.471 16.837 -18.244 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.789 17.276 -17.153 1.00 0.00 H new ATOM 1695 N TRP A 110 0.207 10.901 -14.302 1.00 0.00 N ATOM 1696 CA TRP A 110 -0.061 9.653 -13.589 1.00 0.00 C ATOM 1697 C TRP A 110 -0.145 9.896 -12.101 1.00 0.00 C ATOM 1698 O TRP A 110 -1.093 9.465 -11.437 1.00 0.00 O ATOM 1699 CB TRP A 110 1.072 8.625 -13.876 1.00 0.00 C ATOM 1700 CG TRP A 110 0.867 7.718 -15.097 1.00 0.00 C ATOM 1701 CD1 TRP A 110 1.655 7.697 -16.266 1.00 0.00 C ATOM 1702 CD2 TRP A 110 -0.048 6.695 -15.241 1.00 0.00 C ATOM 1703 NE1 TRP A 110 1.245 6.679 -17.150 1.00 0.00 N ATOM 1704 CE2 TRP A 110 0.189 6.070 -16.489 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -1.064 6.214 -14.372 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -0.598 4.965 -16.887 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -1.774 5.076 -14.755 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -1.579 4.487 -16.013 1.00 0.00 C ATOM 0 H TRP A 110 1.064 10.892 -14.854 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.015 9.258 -13.938 1.00 0.00 H new ATOM 0 HB2 TRP A 110 2.006 9.171 -14.007 1.00 0.00 H new ATOM 0 HB3 TRP A 110 1.193 7.993 -12.996 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.472 8.377 -16.460 1.00 0.00 H new ATOM 0 HE1 TRP A 110 1.634 6.445 -18.063 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.281 6.716 -13.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.444 4.499 -17.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.487 4.640 -14.070 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.196 3.652 -16.311 1.00 0.00 H new ATOM 1719 N VAL A 111 0.845 10.564 -11.535 1.00 0.00 N ATOM 1720 CA VAL A 111 0.865 10.826 -10.095 1.00 0.00 C ATOM 1721 C VAL A 111 -0.379 11.567 -9.655 1.00 0.00 C ATOM 1722 O VAL A 111 -1.069 11.207 -8.697 1.00 0.00 O ATOM 1723 CB VAL A 111 2.173 11.633 -9.728 1.00 0.00 C ATOM 1724 CG1 VAL A 111 2.066 13.184 -9.747 1.00 0.00 C ATOM 1725 CG2 VAL A 111 2.753 11.288 -8.334 1.00 0.00 C ATOM 0 H VAL A 111 1.647 10.937 -12.044 1.00 0.00 H new ATOM 0 HA VAL A 111 0.874 9.875 -9.562 1.00 0.00 H new ATOM 0 HB VAL A 111 2.821 11.305 -10.541 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.029 13.618 -9.478 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.784 13.517 -10.746 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.310 13.505 -9.031 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.649 11.882 -8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.012 11.510 -7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.007 10.229 -8.298 1.00 0.00 H new ATOM 1735 N THR A 112 -0.674 12.649 -10.357 1.00 0.00 N ATOM 1736 CA THR A 112 -1.896 13.424 -10.160 1.00 0.00 C ATOM 1737 C THR A 112 -3.131 12.567 -10.313 1.00 0.00 C ATOM 1738 O THR A 112 -4.026 12.589 -9.424 1.00 0.00 O ATOM 1739 CB THR A 112 -1.931 14.639 -11.153 1.00 0.00 C ATOM 1740 OG1 THR A 112 -1.055 14.423 -12.248 1.00 0.00 O ATOM 1741 CG2 THR A 112 -1.486 16.002 -10.577 1.00 0.00 C ATOM 0 H THR A 112 -0.068 13.021 -11.088 1.00 0.00 H new ATOM 0 HA THR A 112 -1.893 13.805 -9.139 1.00 0.00 H new ATOM 0 HB THR A 112 -2.987 14.689 -11.419 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.845 15.281 -12.673 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.552 16.764 -11.353 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.135 16.275 -9.745 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.457 15.930 -10.226 1.00 0.00 H new ATOM 1749 N SER A 113 -3.261 11.778 -11.361 1.00 0.00 N ATOM 1750 CA SER A 113 -4.507 11.052 -11.633 1.00 0.00 C ATOM 1751 C SER A 113 -4.701 9.944 -10.622 1.00 0.00 C ATOM 1752 O SER A 113 -5.816 9.616 -10.204 1.00 0.00 O ATOM 1753 CB SER A 113 -4.567 10.529 -13.094 1.00 0.00 C ATOM 1754 OG SER A 113 -5.803 10.864 -13.737 1.00 0.00 O ATOM 0 H SER A 113 -2.523 11.616 -12.046 1.00 0.00 H new ATOM 0 HA SER A 113 -5.337 11.751 -11.527 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.738 10.949 -13.663 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.440 9.446 -13.096 1.00 0.00 H new ATOM 0 HG SER A 113 -5.799 10.518 -14.654 1.00 0.00 H new ATOM 1760 N LEU A 114 -3.597 9.362 -10.190 1.00 0.00 N ATOM 1761 CA LEU A 114 -3.584 8.383 -9.107 1.00 0.00 C ATOM 1762 C LEU A 114 -4.044 9.011 -7.814 1.00 0.00 C ATOM 1763 O LEU A 114 -4.805 8.426 -7.035 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.167 7.757 -8.953 1.00 0.00 C ATOM 1765 CG LEU A 114 -1.654 6.800 -10.066 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -0.861 5.608 -9.506 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -2.821 6.289 -10.924 1.00 0.00 C ATOM 0 H LEU A 114 -2.675 9.554 -10.581 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.281 7.583 -9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.451 8.574 -8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.147 7.210 -8.010 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.973 7.384 -10.685 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.528 4.974 -10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.006 5.974 -8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.498 5.029 -8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.440 5.621 -11.696 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.527 5.749 -10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.326 7.134 -11.392 1.00 0.00 H new ATOM 1779 N LYS A 115 -3.580 10.222 -7.551 1.00 0.00 N ATOM 1780 CA LYS A 115 -3.859 10.886 -6.280 1.00 0.00 C ATOM 1781 C LYS A 115 -5.347 10.980 -6.039 1.00 0.00 C ATOM 1782 O LYS A 115 -5.880 10.490 -5.036 1.00 0.00 O ATOM 1783 CB LYS A 115 -3.204 12.296 -6.264 1.00 0.00 C ATOM 1784 CG LYS A 115 -2.923 12.818 -4.831 1.00 0.00 C ATOM 1785 CD LYS A 115 -2.367 14.242 -4.752 1.00 0.00 C ATOM 1786 CE LYS A 115 -3.532 15.241 -4.745 1.00 0.00 C ATOM 1787 NZ LYS A 115 -3.001 16.615 -4.736 1.00 0.00 N ATOM 0 H LYS A 115 -3.009 10.767 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.429 10.293 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.268 12.262 -6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -3.857 13.000 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -3.849 12.775 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.217 12.142 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -1.766 14.361 -3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.711 14.436 -5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.161 15.089 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.160 15.077 -3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.790 17.292 -4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.418 16.756 -3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.419 16.768 -5.584 1.00 0.00 H new ATOM 1801 N ALA A 116 -6.052 11.596 -6.971 1.00 0.00 N ATOM 1802 CA ALA A 116 -7.508 11.716 -6.874 1.00 0.00 C ATOM 1803 C ALA A 116 -8.182 10.363 -6.827 1.00 0.00 C ATOM 1804 O ALA A 116 -9.281 10.210 -6.270 1.00 0.00 O ATOM 1805 CB ALA A 116 -7.980 12.569 -8.064 1.00 0.00 C ATOM 0 H ALA A 116 -5.647 12.022 -7.805 1.00 0.00 H new ATOM 0 HA ALA A 116 -7.787 12.204 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.064 12.680 -8.025 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -7.512 13.552 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -7.699 12.080 -8.997 1.00 0.00 H new ATOM 1811 N GLN A 117 -7.568 9.358 -7.419 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.169 8.032 -7.589 1.00 0.00 C ATOM 1813 C GLN A 117 -8.144 7.188 -6.331 1.00 0.00 C ATOM 1814 O GLN A 117 -9.187 6.740 -5.835 1.00 0.00 O ATOM 1815 CB GLN A 117 -7.409 7.316 -8.727 1.00 0.00 C ATOM 1816 CG GLN A 117 -7.892 7.634 -10.179 1.00 0.00 C ATOM 1817 CD GLN A 117 -9.272 7.156 -10.644 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -9.549 5.879 -10.673 1.00 0.00 O flip ATOM 1819 NE2 GLN A 117 -10.123 7.950 -11.018 1.00 0.00 N flip ATOM 0 H GLN A 117 -6.626 9.431 -7.803 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.224 8.165 -7.829 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -6.353 7.576 -8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.485 6.240 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -7.865 8.717 -10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.155 7.217 -10.866 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.928 8.951 -11.004 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.028 7.611 -11.344 1.00 0.00 H new ATOM 1828 N SER A 118 -6.959 6.924 -5.809 1.00 0.00 N ATOM 1829 CA SER A 118 -6.748 6.012 -4.686 1.00 0.00 C ATOM 1830 C SER A 118 -7.782 6.226 -3.605 1.00 0.00 C ATOM 1831 O SER A 118 -8.194 5.307 -2.892 1.00 0.00 O ATOM 1832 CB SER A 118 -5.315 6.162 -4.117 1.00 0.00 C ATOM 1833 OG SER A 118 -5.300 6.725 -2.795 1.00 0.00 O ATOM 0 H SER A 118 -6.097 7.343 -6.157 1.00 0.00 H new ATOM 0 HA SER A 118 -6.862 4.994 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.832 5.185 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.728 6.794 -4.783 1.00 0.00 H new ATOM 0 HG SER A 118 -5.702 6.091 -2.165 1.00 0.00 H new