USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 572 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 22 MET CE :methyl -136:sc= -5.37! (180deg=-9.16!) USER MOD Set 1.2: A 65 MET CE :methyl 140:sc= -0.271 (180deg=-0.598) USER MOD Set 2.1: A 41 GLN : amide:sc= -8! C(o=-13!,f=-12!) USER MOD Set 2.2: A 45 ASN : amide:sc= -4.9! K(o=-13!,f=-9.3) USER MOD Single : A 1 THR N :NH3+ 166:sc= 0.00211 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -161:sc= -0.106 USER MOD Single : A 18 GLN : amide:sc= -0.973 K(o=-0.97,f=-7!) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= -0.0242 (180deg=-0.114) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.38 K(o=-2.4,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -81:sc= 0.0775 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.21 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 12.836 14.739 37.330 1.00 0.00 N ATOM 2 CA THR A 1 12.091 15.884 37.824 1.00 0.00 C ATOM 3 C THR A 1 11.027 16.306 36.808 1.00 0.00 C ATOM 4 O THR A 1 11.356 16.749 35.708 1.00 0.00 O ATOM 5 CB THR A 1 13.091 16.994 38.153 1.00 0.00 C ATOM 6 OG1 THR A 1 13.763 16.521 39.317 1.00 0.00 O ATOM 7 CG2 THR A 1 12.407 18.282 38.614 1.00 0.00 C ATOM 0 H1 THR A 1 13.694 14.610 37.903 1.00 0.00 H new ATOM 0 H2 THR A 1 12.245 13.886 37.395 1.00 0.00 H new ATOM 0 H3 THR A 1 13.103 14.900 36.338 1.00 0.00 H new ATOM 0 HA THR A 1 11.546 15.638 38.736 1.00 0.00 H new ATOM 0 HB THR A 1 13.702 17.203 37.275 1.00 0.00 H new ATOM 0 HG1 THR A 1 14.432 17.179 39.599 1.00 0.00 H new ATOM 0 HG21 THR A 1 13.162 19.036 38.834 1.00 0.00 H new ATOM 0 HG22 THR A 1 11.749 18.647 37.825 1.00 0.00 H new ATOM 0 HG23 THR A 1 11.821 18.082 39.511 1.00 0.00 H new ATOM 15 N TYR A 2 9.775 16.155 37.212 1.00 0.00 N ATOM 16 CA TYR A 2 8.662 16.515 36.351 1.00 0.00 C ATOM 17 C TYR A 2 8.573 15.575 35.147 1.00 0.00 C ATOM 18 O TYR A 2 9.586 15.265 34.522 1.00 0.00 O ATOM 19 CB TYR A 2 8.953 17.933 35.855 1.00 0.00 C ATOM 20 CG TYR A 2 7.759 18.884 35.953 1.00 0.00 C ATOM 21 CD1 TYR A 2 7.502 19.550 37.134 1.00 0.00 C ATOM 22 CD2 TYR A 2 6.939 19.077 34.859 1.00 0.00 C ATOM 23 CE1 TYR A 2 6.377 20.446 37.225 1.00 0.00 C ATOM 24 CE2 TYR A 2 5.815 19.972 34.951 1.00 0.00 C ATOM 25 CZ TYR A 2 5.590 20.612 36.129 1.00 0.00 C ATOM 26 OH TYR A 2 4.528 21.458 36.216 1.00 0.00 O ATOM 0 H TYR A 2 9.506 15.788 38.125 1.00 0.00 H new ATOM 0 HA TYR A 2 7.720 16.447 36.895 1.00 0.00 H new ATOM 0 HB2 TYR A 2 9.781 18.346 36.431 1.00 0.00 H new ATOM 0 HB3 TYR A 2 9.281 17.884 34.817 1.00 0.00 H new ATOM 0 HD1 TYR A 2 8.144 19.400 37.990 1.00 0.00 H new ATOM 0 HD2 TYR A 2 7.141 18.557 33.934 1.00 0.00 H new ATOM 0 HE1 TYR A 2 6.164 20.974 38.143 1.00 0.00 H new ATOM 0 HE2 TYR A 2 5.165 20.131 34.103 1.00 0.00 H new ATOM 0 HH TYR A 2 4.056 21.479 35.358 1.00 0.00 H new ATOM 36 N SER A 3 7.352 15.148 34.859 1.00 0.00 N ATOM 37 CA SER A 3 7.118 14.250 33.741 1.00 0.00 C ATOM 38 C SER A 3 6.462 15.010 32.587 1.00 0.00 C ATOM 39 O SER A 3 6.108 16.179 32.731 1.00 0.00 O ATOM 40 CB SER A 3 6.246 13.065 34.160 1.00 0.00 C ATOM 41 OG SER A 3 7.027 11.955 34.595 1.00 0.00 O ATOM 0 H SER A 3 6.515 15.407 35.380 1.00 0.00 H new ATOM 0 HA SER A 3 8.080 13.859 33.409 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.576 13.374 34.963 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.620 12.761 33.321 1.00 0.00 H new ATOM 0 HG SER A 3 6.434 11.220 34.855 1.00 0.00 H new ATOM 47 N LEU A 4 6.320 14.315 31.468 1.00 0.00 N ATOM 48 CA LEU A 4 5.712 14.910 30.290 1.00 0.00 C ATOM 49 C LEU A 4 4.573 14.013 29.800 1.00 0.00 C ATOM 50 O LEU A 4 4.127 13.122 30.521 1.00 0.00 O ATOM 51 CB LEU A 4 6.773 15.193 29.224 1.00 0.00 C ATOM 52 CG LEU A 4 7.125 16.665 29.002 1.00 0.00 C ATOM 53 CD1 LEU A 4 8.640 16.874 29.008 1.00 0.00 C ATOM 54 CD2 LEU A 4 6.478 17.196 27.721 1.00 0.00 C ATOM 0 H LEU A 4 6.615 13.346 31.352 1.00 0.00 H new ATOM 0 HA LEU A 4 5.274 15.877 30.536 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.684 14.659 29.496 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.429 14.776 28.278 1.00 0.00 H new ATOM 0 HG LEU A 4 6.718 17.242 29.832 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.862 17.929 28.848 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.047 16.559 29.969 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.092 16.283 28.211 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.744 18.244 27.587 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.834 16.619 26.867 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.394 17.103 27.795 1.00 0.00 H new ATOM 66 N ARG A 5 4.136 14.280 28.579 1.00 0.00 N ATOM 67 CA ARG A 5 3.057 13.508 27.985 1.00 0.00 C ATOM 68 C ARG A 5 3.212 13.465 26.463 1.00 0.00 C ATOM 69 O ARG A 5 3.476 14.487 25.833 1.00 0.00 O ATOM 70 CB ARG A 5 1.694 14.107 28.335 1.00 0.00 C ATOM 71 CG ARG A 5 0.695 13.012 28.715 1.00 0.00 C ATOM 72 CD ARG A 5 0.513 12.937 30.232 1.00 0.00 C ATOM 73 NE ARG A 5 -0.927 12.965 30.571 1.00 0.00 N ATOM 74 CZ ARG A 5 -1.408 12.848 31.816 1.00 0.00 C ATOM 75 NH1 ARG A 5 -0.567 12.696 32.848 1.00 0.00 N ATOM 76 NH2 ARG A 5 -2.731 12.884 32.030 1.00 0.00 N ATOM 0 H ARG A 5 4.509 15.020 27.984 1.00 0.00 H new ATOM 0 HA ARG A 5 3.111 12.497 28.388 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.803 14.808 29.162 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.313 14.673 27.485 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.266 13.210 28.239 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.044 12.050 28.339 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.968 12.024 30.616 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.024 13.773 30.710 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.595 13.081 29.809 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.440 12.669 32.686 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.933 12.607 33.796 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.372 13.000 31.245 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.097 12.795 32.978 1.00 0.00 H new ATOM 90 N THR A 6 3.040 12.270 25.917 1.00 0.00 N ATOM 91 CA THR A 6 3.156 12.079 24.481 1.00 0.00 C ATOM 92 C THR A 6 1.798 12.278 23.805 1.00 0.00 C ATOM 93 O THR A 6 0.766 12.308 24.473 1.00 0.00 O ATOM 94 CB THR A 6 3.761 10.696 24.236 1.00 0.00 C ATOM 95 OG1 THR A 6 5.096 10.809 24.723 1.00 0.00 O ATOM 96 CG2 THR A 6 3.933 10.388 22.747 1.00 0.00 C ATOM 0 H THR A 6 2.821 11.424 26.443 1.00 0.00 H new ATOM 0 HA THR A 6 3.817 12.822 24.035 1.00 0.00 H new ATOM 0 HB THR A 6 3.127 9.937 24.693 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.561 9.955 24.604 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.366 9.395 22.629 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.961 10.421 22.254 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.594 11.128 22.296 1.00 0.00 H new ATOM 104 N PHE A 7 1.843 12.407 22.487 1.00 0.00 N ATOM 105 CA PHE A 7 0.629 12.602 21.713 1.00 0.00 C ATOM 106 C PHE A 7 0.359 11.399 20.806 1.00 0.00 C ATOM 107 O PHE A 7 1.120 10.433 20.806 1.00 0.00 O ATOM 108 CB PHE A 7 0.847 13.842 20.844 1.00 0.00 C ATOM 109 CG PHE A 7 -0.407 14.699 20.658 1.00 0.00 C ATOM 110 CD1 PHE A 7 -1.053 15.203 21.743 1.00 0.00 C ATOM 111 CD2 PHE A 7 -0.874 14.958 19.407 1.00 0.00 C ATOM 112 CE1 PHE A 7 -2.217 15.999 21.571 1.00 0.00 C ATOM 113 CE2 PHE A 7 -2.038 15.754 19.235 1.00 0.00 C ATOM 114 CZ PHE A 7 -2.684 16.258 20.320 1.00 0.00 C ATOM 0 H PHE A 7 2.701 12.380 21.936 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.224 12.719 22.381 1.00 0.00 H new ATOM 0 HB2 PHE A 7 1.630 14.454 21.292 1.00 0.00 H new ATOM 0 HB3 PHE A 7 1.209 13.528 19.865 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.681 14.998 22.736 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.360 14.559 18.545 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.731 16.398 22.433 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.410 15.959 18.242 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.568 16.864 20.189 1.00 0.00 H new ATOM 124 N PHE A 8 -0.728 11.498 20.055 1.00 0.00 N ATOM 125 CA PHE A 8 -1.109 10.430 19.145 1.00 0.00 C ATOM 126 C PHE A 8 -0.777 10.799 17.698 1.00 0.00 C ATOM 127 O PHE A 8 -0.527 11.964 17.392 1.00 0.00 O ATOM 128 CB PHE A 8 -2.622 10.247 19.279 1.00 0.00 C ATOM 129 CG PHE A 8 -3.444 11.280 18.506 1.00 0.00 C ATOM 130 CD1 PHE A 8 -3.772 11.053 17.205 1.00 0.00 C ATOM 131 CD2 PHE A 8 -3.847 12.425 19.119 1.00 0.00 C ATOM 132 CE1 PHE A 8 -4.536 12.012 16.488 1.00 0.00 C ATOM 133 CE2 PHE A 8 -4.610 13.384 18.401 1.00 0.00 C ATOM 134 CZ PHE A 8 -4.939 13.157 17.101 1.00 0.00 C ATOM 0 H PHE A 8 -1.357 12.301 20.058 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.566 9.518 19.393 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.889 9.250 18.930 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.892 10.298 20.334 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.452 10.144 16.718 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.587 12.605 20.152 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.797 11.832 15.456 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.929 14.294 18.888 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.520 13.886 16.556 1.00 0.00 H new ATOM 144 N VAL A 9 -0.786 9.784 16.846 1.00 0.00 N ATOM 145 CA VAL A 9 -0.489 9.987 15.438 1.00 0.00 C ATOM 146 C VAL A 9 -1.790 10.270 14.683 1.00 0.00 C ATOM 147 O VAL A 9 -2.328 11.373 14.758 1.00 0.00 O ATOM 148 CB VAL A 9 0.273 8.781 14.885 1.00 0.00 C ATOM 149 CG1 VAL A 9 -0.346 7.470 15.373 1.00 0.00 C ATOM 150 CG2 VAL A 9 0.332 8.824 13.357 1.00 0.00 C ATOM 0 H VAL A 9 -0.994 8.819 17.103 1.00 0.00 H new ATOM 0 HA VAL A 9 0.159 10.853 15.305 1.00 0.00 H new ATOM 0 HB VAL A 9 1.295 8.829 15.262 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.215 6.629 14.965 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.312 7.435 16.462 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.382 7.411 15.040 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.879 7.956 12.989 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.680 8.813 12.953 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.840 9.734 13.038 1.00 0.00 H new ATOM 160 N ARG A 10 -2.256 9.254 13.972 1.00 0.00 N ATOM 161 CA ARG A 10 -3.483 9.380 13.203 1.00 0.00 C ATOM 162 C ARG A 10 -3.826 8.050 12.530 1.00 0.00 C ATOM 163 O ARG A 10 -4.903 7.497 12.751 1.00 0.00 O ATOM 164 CB ARG A 10 -3.355 10.467 12.134 1.00 0.00 C ATOM 165 CG ARG A 10 -4.430 11.541 12.312 1.00 0.00 C ATOM 166 CD ARG A 10 -3.803 12.934 12.406 1.00 0.00 C ATOM 167 NE ARG A 10 -4.830 13.926 12.796 1.00 0.00 N ATOM 168 CZ ARG A 10 -4.701 15.248 12.622 1.00 0.00 C ATOM 169 NH1 ARG A 10 -3.589 15.745 12.064 1.00 0.00 N ATOM 170 NH2 ARG A 10 -5.685 16.073 13.006 1.00 0.00 N ATOM 0 H ARG A 10 -1.807 8.340 13.912 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.279 9.658 13.893 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.367 10.924 12.191 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.443 10.020 11.144 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.125 11.507 11.473 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.008 11.337 13.213 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.994 12.929 13.137 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.365 13.210 11.447 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.689 13.582 13.224 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.841 15.117 11.772 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.491 16.752 11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.532 15.694 13.431 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.587 17.080 12.874 1.00 0.00 H new ATOM 184 N GLU A 11 -2.891 7.574 11.721 1.00 0.00 N ATOM 185 CA GLU A 11 -3.081 6.319 11.013 1.00 0.00 C ATOM 186 C GLU A 11 -4.037 6.513 9.835 1.00 0.00 C ATOM 187 O GLU A 11 -4.637 7.577 9.686 1.00 0.00 O ATOM 188 CB GLU A 11 -3.589 5.229 11.958 1.00 0.00 C ATOM 189 CG GLU A 11 -2.651 4.020 11.956 1.00 0.00 C ATOM 190 CD GLU A 11 -2.529 3.418 13.357 1.00 0.00 C ATOM 191 OE1 GLU A 11 -3.475 2.702 13.752 1.00 0.00 O ATOM 192 OE2 GLU A 11 -1.493 3.687 14.003 1.00 0.00 O ATOM 0 H GLU A 11 -1.999 8.035 11.540 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.116 5.995 10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.671 5.628 12.969 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.589 4.918 11.656 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.025 3.266 11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.666 4.320 11.598 1.00 0.00 H new ATOM 199 N SER A 12 -4.150 5.469 9.028 1.00 0.00 N ATOM 200 CA SER A 12 -5.024 5.511 7.867 1.00 0.00 C ATOM 201 C SER A 12 -4.539 6.580 6.886 1.00 0.00 C ATOM 202 O SER A 12 -3.938 7.573 7.292 1.00 0.00 O ATOM 203 CB SER A 12 -6.472 5.786 8.278 1.00 0.00 C ATOM 204 OG SER A 12 -7.292 4.627 8.149 1.00 0.00 O ATOM 0 H SER A 12 -3.651 4.588 9.155 1.00 0.00 H new ATOM 0 HA SER A 12 -4.992 4.537 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.496 6.134 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.878 6.588 7.662 1.00 0.00 H new ATOM 0 HG SER A 12 -8.208 4.842 8.422 1.00 0.00 H new ATOM 210 N ALA A 13 -4.818 6.340 5.613 1.00 0.00 N ATOM 211 CA ALA A 13 -4.417 7.269 4.571 1.00 0.00 C ATOM 212 C ALA A 13 -5.613 8.143 4.186 1.00 0.00 C ATOM 213 O ALA A 13 -6.755 7.810 4.497 1.00 0.00 O ATOM 214 CB ALA A 13 -3.857 6.490 3.379 1.00 0.00 C ATOM 0 H ALA A 13 -5.317 5.515 5.280 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.627 7.929 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.556 7.188 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.992 5.908 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.623 5.819 2.991 1.00 0.00 H new ATOM 220 N GLU A 14 -5.308 9.244 3.515 1.00 0.00 N ATOM 221 CA GLU A 14 -6.343 10.168 3.085 1.00 0.00 C ATOM 222 C GLU A 14 -5.853 10.999 1.896 1.00 0.00 C ATOM 223 O GLU A 14 -5.589 12.192 2.035 1.00 0.00 O ATOM 224 CB GLU A 14 -6.787 11.071 4.238 1.00 0.00 C ATOM 225 CG GLU A 14 -8.283 10.908 4.517 1.00 0.00 C ATOM 226 CD GLU A 14 -8.897 12.224 5.000 1.00 0.00 C ATOM 227 OE1 GLU A 14 -8.623 13.252 4.345 1.00 0.00 O ATOM 228 OE2 GLU A 14 -9.626 12.171 6.014 1.00 0.00 O ATOM 0 H GLU A 14 -4.359 9.517 3.259 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.209 9.588 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.217 10.828 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.570 12.111 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.791 10.576 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.434 10.134 5.270 1.00 0.00 H new ATOM 235 N GLY A 15 -5.747 10.334 0.755 1.00 0.00 N ATOM 236 CA GLY A 15 -5.293 10.996 -0.456 1.00 0.00 C ATOM 237 C GLY A 15 -3.773 11.172 -0.448 1.00 0.00 C ATOM 238 O GLY A 15 -3.241 12.035 -1.146 1.00 0.00 O ATOM 0 H GLY A 15 -5.968 9.344 0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.590 10.412 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.775 11.970 -0.545 1.00 0.00 H new ATOM 242 N LEU A 16 -3.117 10.341 0.348 1.00 0.00 N ATOM 243 CA LEU A 16 -1.669 10.394 0.456 1.00 0.00 C ATOM 244 C LEU A 16 -1.062 10.518 -0.943 1.00 0.00 C ATOM 245 O LEU A 16 -1.759 10.354 -1.943 1.00 0.00 O ATOM 246 CB LEU A 16 -1.146 9.195 1.249 1.00 0.00 C ATOM 247 CG LEU A 16 -0.579 8.040 0.422 1.00 0.00 C ATOM 248 CD1 LEU A 16 0.274 7.112 1.290 1.00 0.00 C ATOM 249 CD2 LEU A 16 -1.695 7.283 -0.301 1.00 0.00 C ATOM 0 H LEU A 16 -3.562 9.627 0.925 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.361 11.276 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.369 9.545 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.958 8.810 1.865 1.00 0.00 H new ATOM 0 HG LEU A 16 0.075 8.457 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.665 6.299 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.103 7.675 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.338 6.700 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.264 6.467 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.394 6.878 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.223 7.964 -0.968 1.00 0.00 H new ATOM 261 N THR A 17 0.231 10.807 -0.969 1.00 0.00 N ATOM 262 CA THR A 17 0.940 10.954 -2.228 1.00 0.00 C ATOM 263 C THR A 17 1.448 9.596 -2.717 1.00 0.00 C ATOM 264 O THR A 17 1.605 8.667 -1.926 1.00 0.00 O ATOM 265 CB THR A 17 2.054 11.983 -2.026 1.00 0.00 C ATOM 266 OG1 THR A 17 2.598 11.660 -0.750 1.00 0.00 O ATOM 267 CG2 THR A 17 1.514 13.404 -1.852 1.00 0.00 C ATOM 0 H THR A 17 0.806 10.943 -0.138 1.00 0.00 H new ATOM 0 HA THR A 17 0.279 11.320 -3.014 1.00 0.00 H new ATOM 0 HB THR A 17 2.733 11.955 -2.878 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.097 12.429 -0.403 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.346 14.095 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.950 13.690 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.861 13.441 -0.980 1.00 0.00 H new ATOM 275 N GLN A 18 1.692 9.524 -4.017 1.00 0.00 N ATOM 276 CA GLN A 18 2.179 8.295 -4.620 1.00 0.00 C ATOM 277 C GLN A 18 3.485 7.859 -3.953 1.00 0.00 C ATOM 278 O GLN A 18 3.747 6.665 -3.815 1.00 0.00 O ATOM 279 CB GLN A 18 2.363 8.461 -6.130 1.00 0.00 C ATOM 280 CG GLN A 18 3.516 9.418 -6.440 1.00 0.00 C ATOM 281 CD GLN A 18 4.802 8.646 -6.745 1.00 0.00 C ATOM 282 OE1 GLN A 18 5.665 8.468 -5.900 1.00 0.00 O ATOM 283 NE2 GLN A 18 4.882 8.200 -7.995 1.00 0.00 N ATOM 0 H GLN A 18 1.562 10.297 -4.670 1.00 0.00 H new ATOM 0 HA GLN A 18 1.434 7.515 -4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.559 7.490 -6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.442 8.840 -6.573 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.254 10.046 -7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.679 10.083 -5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.124 8.384 -8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.702 7.674 -8.297 1.00 0.00 H new ATOM 292 N GLY A 19 4.270 8.850 -3.557 1.00 0.00 N ATOM 293 CA GLY A 19 5.543 8.583 -2.908 1.00 0.00 C ATOM 294 C GLY A 19 5.333 8.064 -1.484 1.00 0.00 C ATOM 295 O GLY A 19 6.068 7.191 -1.023 1.00 0.00 O ATOM 0 H GLY A 19 4.049 9.839 -3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.104 7.850 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.141 9.494 -2.883 1.00 0.00 H new ATOM 299 N GLU A 20 4.328 8.622 -0.826 1.00 0.00 N ATOM 300 CA GLU A 20 4.013 8.227 0.536 1.00 0.00 C ATOM 301 C GLU A 20 3.506 6.783 0.566 1.00 0.00 C ATOM 302 O GLU A 20 3.781 6.044 1.509 1.00 0.00 O ATOM 303 CB GLU A 20 2.992 9.179 1.161 1.00 0.00 C ATOM 304 CG GLU A 20 3.690 10.343 1.868 1.00 0.00 C ATOM 305 CD GLU A 20 4.708 11.014 0.944 1.00 0.00 C ATOM 306 OE1 GLU A 20 5.668 10.314 0.554 1.00 0.00 O ATOM 307 OE2 GLU A 20 4.505 12.212 0.649 1.00 0.00 O ATOM 0 H GLU A 20 3.721 9.345 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 20 4.925 8.284 1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.327 9.564 0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.371 8.636 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.949 11.074 2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.192 9.980 2.765 1.00 0.00 H new ATOM 314 N LEU A 21 2.773 6.426 -0.479 1.00 0.00 N ATOM 315 CA LEU A 21 2.225 5.084 -0.584 1.00 0.00 C ATOM 316 C LEU A 21 3.253 4.076 -0.068 1.00 0.00 C ATOM 317 O LEU A 21 2.900 3.122 0.624 1.00 0.00 O ATOM 318 CB LEU A 21 1.757 4.807 -2.014 1.00 0.00 C ATOM 319 CG LEU A 21 0.572 3.850 -2.159 1.00 0.00 C ATOM 320 CD1 LEU A 21 0.834 2.538 -1.416 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.729 4.515 -1.706 1.00 0.00 C ATOM 0 H LEU A 21 2.546 7.042 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 21 1.338 4.985 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.490 5.757 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.597 4.401 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 21 0.457 3.606 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.023 1.875 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.723 2.059 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.989 2.744 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.555 3.813 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.643 4.808 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.917 5.399 -2.316 1.00 0.00 H new ATOM 333 N MET A 22 4.506 4.321 -0.424 1.00 0.00 N ATOM 334 CA MET A 22 5.588 3.446 -0.005 1.00 0.00 C ATOM 335 C MET A 22 5.589 3.265 1.514 1.00 0.00 C ATOM 336 O MET A 22 5.564 2.139 2.009 1.00 0.00 O ATOM 337 CB MET A 22 6.926 4.040 -0.450 1.00 0.00 C ATOM 338 CG MET A 22 7.097 3.931 -1.966 1.00 0.00 C ATOM 339 SD MET A 22 8.780 3.483 -2.360 1.00 0.00 S ATOM 340 CE MET A 22 8.854 1.865 -1.611 1.00 0.00 C ATOM 0 H MET A 22 4.796 5.113 -0.998 1.00 0.00 H new ATOM 0 HA MET A 22 5.442 2.470 -0.468 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.982 5.086 -0.148 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.743 3.520 0.050 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.410 3.184 -2.365 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.845 4.881 -2.438 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.792 1.759 -1.067 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.019 1.745 -0.921 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.796 1.102 -2.387 1.00 0.00 H new ATOM 350 N LYS A 23 5.619 4.390 2.213 1.00 0.00 N ATOM 351 CA LYS A 23 5.625 4.370 3.666 1.00 0.00 C ATOM 352 C LYS A 23 4.282 3.836 4.168 1.00 0.00 C ATOM 353 O LYS A 23 4.201 3.281 5.263 1.00 0.00 O ATOM 354 CB LYS A 23 5.984 5.750 4.220 1.00 0.00 C ATOM 355 CG LYS A 23 4.803 6.716 4.094 1.00 0.00 C ATOM 356 CD LYS A 23 4.452 7.332 5.449 1.00 0.00 C ATOM 357 CE LYS A 23 3.581 6.383 6.274 1.00 0.00 C ATOM 358 NZ LYS A 23 4.351 5.830 7.411 1.00 0.00 N ATOM 0 H LYS A 23 5.639 5.322 1.800 1.00 0.00 H new ATOM 0 HA LYS A 23 6.397 3.694 4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.276 5.661 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.844 6.149 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.049 7.506 3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.937 6.187 3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.366 7.560 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.927 8.275 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.704 6.914 6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.219 5.571 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.029 4.861 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.363 5.816 7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.203 6.424 8.252 1.00 0.00 H new ATOM 372 N LEU A 24 3.261 4.021 3.345 1.00 0.00 N ATOM 373 CA LEU A 24 1.926 3.565 3.692 1.00 0.00 C ATOM 374 C LEU A 24 1.912 2.036 3.742 1.00 0.00 C ATOM 375 O LEU A 24 1.333 1.447 4.654 1.00 0.00 O ATOM 376 CB LEU A 24 0.891 4.159 2.735 1.00 0.00 C ATOM 377 CG LEU A 24 -0.557 4.160 3.230 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.494 4.767 2.183 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.996 2.755 3.646 1.00 0.00 C ATOM 0 H LEU A 24 3.331 4.481 2.437 1.00 0.00 H new ATOM 0 HA LEU A 24 1.648 3.920 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.179 5.186 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.933 3.606 1.797 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.614 4.790 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.517 4.756 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.194 5.795 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.439 4.183 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.029 2.784 3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.920 2.082 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.353 2.396 4.449 1.00 0.00 H new ATOM 391 N ILE A 25 2.555 1.437 2.751 1.00 0.00 N ATOM 392 CA ILE A 25 2.623 -0.012 2.671 1.00 0.00 C ATOM 393 C ILE A 25 3.483 -0.542 3.819 1.00 0.00 C ATOM 394 O ILE A 25 3.123 -1.523 4.469 1.00 0.00 O ATOM 395 CB ILE A 25 3.108 -0.450 1.287 1.00 0.00 C ATOM 396 CG1 ILE A 25 1.975 -0.378 0.261 1.00 0.00 C ATOM 397 CG2 ILE A 25 3.743 -1.841 1.343 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.497 -0.644 -1.152 1.00 0.00 C ATOM 0 H ILE A 25 3.034 1.929 1.996 1.00 0.00 H new ATOM 0 HA ILE A 25 1.630 -0.447 2.788 1.00 0.00 H new ATOM 0 HB ILE A 25 3.882 0.244 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.206 -1.108 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.506 0.605 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.079 -2.128 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.595 -1.825 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.008 -2.562 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.672 -0.587 -1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.249 0.103 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.943 -1.638 -1.194 1.00 0.00 H new ATOM 410 N LYS A 26 4.605 0.129 4.036 1.00 0.00 N ATOM 411 CA LYS A 26 5.519 -0.262 5.095 1.00 0.00 C ATOM 412 C LYS A 26 4.821 -0.110 6.448 1.00 0.00 C ATOM 413 O LYS A 26 5.068 -0.888 7.368 1.00 0.00 O ATOM 414 CB LYS A 26 6.829 0.521 4.988 1.00 0.00 C ATOM 415 CG LYS A 26 7.967 -0.214 5.700 1.00 0.00 C ATOM 416 CD LYS A 26 8.800 0.752 6.545 1.00 0.00 C ATOM 417 CE LYS A 26 9.667 -0.007 7.551 1.00 0.00 C ATOM 418 NZ LYS A 26 11.050 -0.147 7.042 1.00 0.00 N ATOM 0 H LYS A 26 4.902 0.942 3.496 1.00 0.00 H new ATOM 0 HA LYS A 26 5.792 -1.312 4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.085 0.666 3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.702 1.511 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.556 -0.998 6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.606 -0.703 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.434 1.355 5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.140 1.440 7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.676 0.522 8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.240 -0.993 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.625 -0.665 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.038 -0.671 6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.460 0.796 6.887 1.00 0.00 H new ATOM 432 N GLU A 27 3.962 0.896 6.525 1.00 0.00 N ATOM 433 CA GLU A 27 3.226 1.160 7.750 1.00 0.00 C ATOM 434 C GLU A 27 2.463 -0.091 8.190 1.00 0.00 C ATOM 435 O GLU A 27 2.399 -0.397 9.379 1.00 0.00 O ATOM 436 CB GLU A 27 2.279 2.348 7.575 1.00 0.00 C ATOM 437 CG GLU A 27 2.194 3.176 8.859 1.00 0.00 C ATOM 438 CD GLU A 27 1.047 2.692 9.749 1.00 0.00 C ATOM 439 OE1 GLU A 27 -0.093 3.140 9.498 1.00 0.00 O ATOM 440 OE2 GLU A 27 1.336 1.885 10.659 1.00 0.00 O ATOM 0 H GLU A 27 3.759 1.538 5.759 1.00 0.00 H new ATOM 0 HA GLU A 27 3.940 1.420 8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.626 2.977 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.286 1.989 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.136 3.107 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.047 4.227 8.609 1.00 0.00 H new ATOM 447 N ILE A 28 1.903 -0.780 7.206 1.00 0.00 N ATOM 448 CA ILE A 28 1.146 -1.990 7.477 1.00 0.00 C ATOM 449 C ILE A 28 2.097 -3.081 7.972 1.00 0.00 C ATOM 450 O ILE A 28 1.756 -3.844 8.876 1.00 0.00 O ATOM 451 CB ILE A 28 0.329 -2.398 6.249 1.00 0.00 C ATOM 452 CG1 ILE A 28 -1.004 -1.648 6.203 1.00 0.00 C ATOM 453 CG2 ILE A 28 0.136 -3.915 6.197 1.00 0.00 C ATOM 454 CD1 ILE A 28 -1.006 -0.601 5.087 1.00 0.00 C ATOM 0 H ILE A 28 1.959 -0.523 6.220 1.00 0.00 H new ATOM 0 HA ILE A 28 0.420 -1.815 8.271 1.00 0.00 H new ATOM 0 HB ILE A 28 0.888 -2.115 5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.818 -2.355 6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.186 -1.163 7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.448 -4.177 5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.109 -4.404 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.391 -4.246 7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.965 -0.083 5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.206 0.119 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.848 -1.092 4.127 1.00 0.00 H new ATOM 466 N VAL A 29 3.271 -3.121 7.360 1.00 0.00 N ATOM 467 CA VAL A 29 4.274 -4.106 7.727 1.00 0.00 C ATOM 468 C VAL A 29 5.019 -3.628 8.975 1.00 0.00 C ATOM 469 O VAL A 29 5.881 -4.334 9.497 1.00 0.00 O ATOM 470 CB VAL A 29 5.204 -4.374 6.542 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.714 -5.816 6.561 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.509 -4.055 5.217 1.00 0.00 C ATOM 0 H VAL A 29 3.550 -2.487 6.612 1.00 0.00 H new ATOM 0 HA VAL A 29 3.802 -5.057 7.974 1.00 0.00 H new ATOM 0 HB VAL A 29 6.066 -3.713 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.373 -5.980 5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.264 -5.995 7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.869 -6.502 6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.192 -4.254 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.621 -4.679 5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.218 -3.005 5.202 1.00 0.00 H new ATOM 482 N GLU A 30 4.659 -2.432 9.418 1.00 0.00 N ATOM 483 CA GLU A 30 5.283 -1.851 10.595 1.00 0.00 C ATOM 484 C GLU A 30 4.848 -2.605 11.853 1.00 0.00 C ATOM 485 O GLU A 30 5.422 -2.416 12.925 1.00 0.00 O ATOM 486 CB GLU A 30 4.957 -0.361 10.709 1.00 0.00 C ATOM 487 CG GLU A 30 6.216 0.455 11.009 1.00 0.00 C ATOM 488 CD GLU A 30 6.683 1.219 9.769 1.00 0.00 C ATOM 489 OE1 GLU A 30 7.167 0.543 8.835 1.00 0.00 O ATOM 490 OE2 GLU A 30 6.546 2.461 9.782 1.00 0.00 O ATOM 0 H GLU A 30 3.943 -1.850 8.983 1.00 0.00 H new ATOM 0 HA GLU A 30 6.364 -1.946 10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.506 -0.012 9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.222 -0.205 11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.014 1.157 11.818 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.010 -0.208 11.352 1.00 0.00 H new ATOM 497 N ASN A 31 3.837 -3.445 11.681 1.00 0.00 N ATOM 498 CA ASN A 31 3.319 -4.228 12.790 1.00 0.00 C ATOM 499 C ASN A 31 2.569 -5.444 12.242 1.00 0.00 C ATOM 500 O ASN A 31 1.419 -5.685 12.606 1.00 0.00 O ATOM 501 CB ASN A 31 2.339 -3.409 13.633 1.00 0.00 C ATOM 502 CG ASN A 31 3.084 -2.535 14.644 1.00 0.00 C ATOM 503 OD1 ASN A 31 3.310 -2.912 15.782 1.00 0.00 O ATOM 504 ND2 ASN A 31 3.452 -1.350 14.166 1.00 0.00 N ATOM 0 H ASN A 31 3.363 -3.600 10.791 1.00 0.00 H new ATOM 0 HA ASN A 31 4.162 -4.532 13.411 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.731 -2.781 12.982 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.657 -4.078 14.158 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.956 -0.694 14.762 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.231 -1.098 13.203 1.00 0.00 H new ATOM 511 N GLU A 32 3.250 -6.179 11.375 1.00 0.00 N ATOM 512 CA GLU A 32 2.663 -7.364 10.774 1.00 0.00 C ATOM 513 C GLU A 32 2.333 -8.399 11.852 1.00 0.00 C ATOM 514 O GLU A 32 2.163 -8.051 13.019 1.00 0.00 O ATOM 515 CB GLU A 32 3.590 -7.956 9.710 1.00 0.00 C ATOM 516 CG GLU A 32 4.821 -8.599 10.353 1.00 0.00 C ATOM 517 CD GLU A 32 5.102 -9.974 9.744 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.528 -9.998 8.569 1.00 0.00 O ATOM 519 OE2 GLU A 32 4.885 -10.970 10.467 1.00 0.00 O ATOM 0 H GLU A 32 4.203 -5.976 11.074 1.00 0.00 H new ATOM 0 HA GLU A 32 1.735 -7.075 10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.050 -8.700 9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.903 -7.173 9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.687 -7.952 10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.665 -8.698 11.427 1.00 0.00 H new ATOM 526 N ASP A 33 2.253 -9.649 11.421 1.00 0.00 N ATOM 527 CA ASP A 33 1.946 -10.737 12.335 1.00 0.00 C ATOM 528 C ASP A 33 2.427 -12.057 11.729 1.00 0.00 C ATOM 529 O ASP A 33 2.670 -12.140 10.526 1.00 0.00 O ATOM 530 CB ASP A 33 0.439 -10.847 12.574 1.00 0.00 C ATOM 531 CG ASP A 33 0.039 -11.302 13.979 1.00 0.00 C ATOM 532 OD1 ASP A 33 0.212 -10.487 14.911 1.00 0.00 O ATOM 533 OD2 ASP A 33 -0.430 -12.455 14.090 1.00 0.00 O ATOM 0 H ASP A 33 2.395 -9.933 10.452 1.00 0.00 H new ATOM 0 HA ASP A 33 2.447 -10.534 13.282 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.016 -9.876 12.379 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.021 -11.546 11.849 1.00 0.00 H new ATOM 538 N LYS A 34 2.549 -13.056 12.590 1.00 0.00 N ATOM 539 CA LYS A 34 2.996 -14.369 12.154 1.00 0.00 C ATOM 540 C LYS A 34 1.919 -15.003 11.272 1.00 0.00 C ATOM 541 O LYS A 34 2.119 -15.179 10.072 1.00 0.00 O ATOM 542 CB LYS A 34 3.389 -15.227 13.358 1.00 0.00 C ATOM 543 CG LYS A 34 4.757 -14.812 13.905 1.00 0.00 C ATOM 544 CD LYS A 34 5.868 -15.690 13.327 1.00 0.00 C ATOM 545 CE LYS A 34 6.934 -15.990 14.383 1.00 0.00 C ATOM 546 NZ LYS A 34 7.924 -14.892 14.448 1.00 0.00 N ATOM 0 H LYS A 34 2.346 -12.983 13.587 1.00 0.00 H new ATOM 0 HA LYS A 34 3.896 -14.283 11.545 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.636 -15.129 14.140 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.413 -16.277 13.068 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.949 -13.768 13.659 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.756 -14.889 14.992 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.444 -16.624 12.958 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.326 -15.189 12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.463 -16.120 15.357 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.437 -16.927 14.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.640 -15.112 15.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.386 -14.786 13.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.442 -14.005 14.698 1.00 0.00 H new ATOM 560 N ARG A 35 0.799 -15.328 11.902 1.00 0.00 N ATOM 561 CA ARG A 35 -0.310 -15.939 11.190 1.00 0.00 C ATOM 562 C ARG A 35 -1.030 -14.895 10.334 1.00 0.00 C ATOM 563 O ARG A 35 -1.953 -15.226 9.590 1.00 0.00 O ATOM 564 CB ARG A 35 -1.309 -16.569 12.162 1.00 0.00 C ATOM 565 CG ARG A 35 -2.392 -17.345 11.409 1.00 0.00 C ATOM 566 CD ARG A 35 -2.667 -18.692 12.080 1.00 0.00 C ATOM 567 NE ARG A 35 -3.458 -19.556 11.176 1.00 0.00 N ATOM 568 CZ ARG A 35 -2.935 -20.264 10.165 1.00 0.00 C ATOM 569 NH1 ARG A 35 -1.618 -20.215 9.925 1.00 0.00 N ATOM 570 NH2 ARG A 35 -3.729 -21.021 9.396 1.00 0.00 N ATOM 0 H ARG A 35 0.636 -15.179 12.898 1.00 0.00 H new ATOM 0 HA ARG A 35 0.098 -16.721 10.549 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.785 -17.238 12.845 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.770 -15.791 12.770 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.309 -16.757 11.376 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.079 -17.506 10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.726 -19.181 12.332 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.207 -18.539 13.014 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.464 -19.617 11.332 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.014 -19.639 10.511 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.219 -20.753 9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.732 -21.059 9.580 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.331 -21.560 8.627 1.00 0.00 H new ATOM 584 N LYS A 36 -0.581 -13.656 10.467 1.00 0.00 N ATOM 585 CA LYS A 36 -1.172 -12.561 9.715 1.00 0.00 C ATOM 586 C LYS A 36 -0.063 -11.627 9.227 1.00 0.00 C ATOM 587 O LYS A 36 0.169 -10.572 9.815 1.00 0.00 O ATOM 588 CB LYS A 36 -2.246 -11.858 10.547 1.00 0.00 C ATOM 589 CG LYS A 36 -3.611 -11.936 9.859 1.00 0.00 C ATOM 590 CD LYS A 36 -3.880 -10.678 9.031 1.00 0.00 C ATOM 591 CE LYS A 36 -4.919 -9.785 9.712 1.00 0.00 C ATOM 592 NZ LYS A 36 -4.340 -8.460 10.024 1.00 0.00 N ATOM 0 H LYS A 36 0.185 -13.385 11.084 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.684 -12.939 8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.305 -12.317 11.534 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.970 -10.814 10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.648 -12.815 9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.393 -12.057 10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.952 -10.123 8.894 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.232 -10.960 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.786 -9.665 9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.270 -10.260 10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.059 -7.867 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.527 -8.578 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.027 -8.002 9.144 1.00 0.00 H new ATOM 606 N PRO A 37 0.611 -12.060 8.127 1.00 0.00 N ATOM 607 CA PRO A 37 1.690 -11.274 7.553 1.00 0.00 C ATOM 608 C PRO A 37 1.142 -10.069 6.786 1.00 0.00 C ATOM 609 O PRO A 37 0.005 -9.655 7.004 1.00 0.00 O ATOM 610 CB PRO A 37 2.454 -12.245 6.667 1.00 0.00 C ATOM 611 CG PRO A 37 1.511 -13.409 6.413 1.00 0.00 C ATOM 612 CD PRO A 37 0.363 -13.304 7.404 1.00 0.00 C ATOM 0 HA PRO A 37 2.347 -10.844 8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.749 -11.770 5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.368 -12.583 7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.136 -13.380 5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.034 -14.358 6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.600 -13.280 6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.344 -14.158 8.081 1.00 0.00 H new ATOM 620 N TYR A 38 1.978 -9.540 5.904 1.00 0.00 N ATOM 621 CA TYR A 38 1.592 -8.391 5.103 1.00 0.00 C ATOM 622 C TYR A 38 2.359 -8.362 3.780 1.00 0.00 C ATOM 623 O TYR A 38 2.961 -7.348 3.430 1.00 0.00 O ATOM 624 CB TYR A 38 1.971 -7.158 5.926 1.00 0.00 C ATOM 625 CG TYR A 38 0.885 -6.706 6.906 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.442 -6.748 6.532 1.00 0.00 C ATOM 627 CD2 TYR A 38 1.235 -6.256 8.163 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.463 -6.322 7.454 1.00 0.00 C ATOM 629 CE2 TYR A 38 0.214 -5.831 9.085 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.085 -5.885 8.685 1.00 0.00 C ATOM 631 OH TYR A 38 -2.050 -5.483 9.555 1.00 0.00 O ATOM 0 H TYR A 38 2.921 -9.886 5.727 1.00 0.00 H new ATOM 0 HA TYR A 38 0.528 -8.427 4.868 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.883 -7.372 6.483 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.198 -6.336 5.247 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.715 -7.100 5.548 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.274 -6.223 8.455 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.506 -6.349 7.174 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.474 -5.477 10.072 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.634 -5.198 10.395 1.00 0.00 H new ATOM 641 N SER A 39 2.313 -9.486 3.081 1.00 0.00 N ATOM 642 CA SER A 39 2.996 -9.602 1.804 1.00 0.00 C ATOM 643 C SER A 39 2.281 -8.756 0.749 1.00 0.00 C ATOM 644 O SER A 39 1.180 -8.263 0.986 1.00 0.00 O ATOM 645 CB SER A 39 3.073 -11.062 1.351 1.00 0.00 C ATOM 646 OG SER A 39 2.132 -11.883 2.036 1.00 0.00 O ATOM 0 H SER A 39 1.813 -10.325 3.375 1.00 0.00 H new ATOM 0 HA SER A 39 4.014 -9.234 1.926 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.890 -11.119 0.278 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.080 -11.443 1.524 1.00 0.00 H new ATOM 0 HG SER A 39 2.489 -12.127 2.915 1.00 0.00 H new ATOM 652 N ASP A 40 2.937 -8.614 -0.393 1.00 0.00 N ATOM 653 CA ASP A 40 2.378 -7.835 -1.485 1.00 0.00 C ATOM 654 C ASP A 40 0.911 -8.223 -1.684 1.00 0.00 C ATOM 655 O ASP A 40 0.088 -7.387 -2.052 1.00 0.00 O ATOM 656 CB ASP A 40 3.121 -8.110 -2.794 1.00 0.00 C ATOM 657 CG ASP A 40 3.151 -9.578 -3.225 1.00 0.00 C ATOM 658 OD1 ASP A 40 4.038 -10.300 -2.719 1.00 0.00 O ATOM 659 OD2 ASP A 40 2.287 -9.946 -4.050 1.00 0.00 O ATOM 0 H ASP A 40 3.850 -9.025 -0.586 1.00 0.00 H new ATOM 0 HA ASP A 40 2.474 -6.780 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.658 -7.524 -3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.147 -7.756 -2.693 1.00 0.00 H new ATOM 664 N GLN A 41 0.629 -9.493 -1.430 1.00 0.00 N ATOM 665 CA GLN A 41 -0.725 -10.002 -1.576 1.00 0.00 C ATOM 666 C GLN A 41 -1.656 -9.330 -0.565 1.00 0.00 C ATOM 667 O GLN A 41 -2.665 -8.737 -0.943 1.00 0.00 O ATOM 668 CB GLN A 41 -0.757 -11.524 -1.425 1.00 0.00 C ATOM 669 CG GLN A 41 -1.975 -11.968 -0.612 1.00 0.00 C ATOM 670 CD GLN A 41 -3.274 -11.494 -1.267 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.287 -10.958 -2.363 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.362 -11.722 -0.537 1.00 0.00 N ATOM 0 H GLN A 41 1.314 -10.184 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.077 -9.762 -2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.783 -11.990 -2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.155 -11.864 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.983 -13.055 -0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.907 -11.568 0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.280 -12.175 0.373 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.279 -11.443 -0.887 1.00 0.00 H new ATOM 681 N GLU A 42 -1.285 -9.447 0.702 1.00 0.00 N ATOM 682 CA GLU A 42 -2.075 -8.858 1.770 1.00 0.00 C ATOM 683 C GLU A 42 -2.125 -7.337 1.617 1.00 0.00 C ATOM 684 O GLU A 42 -3.190 -6.767 1.385 1.00 0.00 O ATOM 685 CB GLU A 42 -1.523 -9.254 3.141 1.00 0.00 C ATOM 686 CG GLU A 42 -2.657 -9.582 4.115 1.00 0.00 C ATOM 687 CD GLU A 42 -2.751 -8.530 5.222 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.052 -8.714 6.241 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.520 -7.565 5.023 1.00 0.00 O ATOM 0 H GLU A 42 -0.448 -9.941 1.013 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.092 -9.243 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.867 -10.118 3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.918 -8.441 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.602 -9.632 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.490 -10.565 4.556 1.00 0.00 H new ATOM 696 N ILE A 43 -0.959 -6.722 1.754 1.00 0.00 N ATOM 697 CA ILE A 43 -0.857 -5.277 1.634 1.00 0.00 C ATOM 698 C ILE A 43 -1.720 -4.805 0.462 1.00 0.00 C ATOM 699 O ILE A 43 -2.482 -3.849 0.594 1.00 0.00 O ATOM 700 CB ILE A 43 0.609 -4.851 1.530 1.00 0.00 C ATOM 701 CG1 ILE A 43 1.118 -4.307 2.866 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.809 -3.850 0.390 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.635 -4.469 2.982 1.00 0.00 C ATOM 0 H ILE A 43 -0.077 -7.198 1.947 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.243 -4.791 2.530 1.00 0.00 H new ATOM 0 HB ILE A 43 1.205 -5.732 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.853 -3.254 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.629 -4.832 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.859 -3.563 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.510 -4.308 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.200 -2.965 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.971 -4.074 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.894 -5.525 2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.122 -3.923 2.174 1.00 0.00 H new ATOM 715 N ALA A 44 -1.570 -5.496 -0.658 1.00 0.00 N ATOM 716 CA ALA A 44 -2.326 -5.159 -1.852 1.00 0.00 C ATOM 717 C ALA A 44 -3.822 -5.221 -1.537 1.00 0.00 C ATOM 718 O ALA A 44 -4.580 -4.336 -1.932 1.00 0.00 O ATOM 719 CB ALA A 44 -1.931 -6.103 -2.990 1.00 0.00 C ATOM 0 H ALA A 44 -0.936 -6.288 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.098 -4.144 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.498 -5.850 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.865 -6.001 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.148 -7.131 -2.701 1.00 0.00 H new ATOM 725 N ASN A 45 -4.203 -6.274 -0.830 1.00 0.00 N ATOM 726 CA ASN A 45 -5.595 -6.462 -0.457 1.00 0.00 C ATOM 727 C ASN A 45 -5.995 -5.393 0.561 1.00 0.00 C ATOM 728 O ASN A 45 -7.172 -5.059 0.686 1.00 0.00 O ATOM 729 CB ASN A 45 -5.813 -7.833 0.186 1.00 0.00 C ATOM 730 CG ASN A 45 -6.082 -8.901 -0.877 1.00 0.00 C ATOM 731 OD1 ASN A 45 -7.211 -9.272 -1.148 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.983 -9.372 -1.460 1.00 0.00 N ATOM 0 H ASN A 45 -3.572 -7.007 -0.505 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.199 -6.388 -1.361 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.935 -8.109 0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.653 -7.784 0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.056 -10.089 -2.182 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.067 -9.017 -1.185 1.00 0.00 H new ATOM 739 N ILE A 46 -4.992 -4.886 1.263 1.00 0.00 N ATOM 740 CA ILE A 46 -5.225 -3.861 2.267 1.00 0.00 C ATOM 741 C ILE A 46 -5.560 -2.540 1.573 1.00 0.00 C ATOM 742 O ILE A 46 -6.533 -1.876 1.929 1.00 0.00 O ATOM 743 CB ILE A 46 -4.035 -3.769 3.224 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.140 -4.817 4.334 1.00 0.00 C ATOM 745 CG2 ILE A 46 -3.891 -2.352 3.785 1.00 0.00 C ATOM 746 CD1 ILE A 46 -2.955 -4.718 5.296 1.00 0.00 C ATOM 0 H ILE A 46 -4.017 -5.166 1.157 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.083 -4.122 2.886 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.127 -3.987 2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.071 -4.678 4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.174 -5.814 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.038 -2.314 4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.735 -1.650 2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.797 -2.082 4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.055 -5.474 6.075 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.027 -4.882 4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.938 -3.728 5.751 1.00 0.00 H new ATOM 758 N LEU A 47 -4.736 -2.197 0.594 1.00 0.00 N ATOM 759 CA LEU A 47 -4.932 -0.966 -0.153 1.00 0.00 C ATOM 760 C LEU A 47 -6.330 -0.970 -0.775 1.00 0.00 C ATOM 761 O LEU A 47 -6.927 0.087 -0.976 1.00 0.00 O ATOM 762 CB LEU A 47 -3.807 -0.772 -1.172 1.00 0.00 C ATOM 763 CG LEU A 47 -2.439 -0.400 -0.597 1.00 0.00 C ATOM 764 CD1 LEU A 47 -2.405 -0.610 0.918 1.00 0.00 C ATOM 765 CD2 LEU A 47 -1.319 -1.163 -1.307 1.00 0.00 C ATOM 0 H LEU A 47 -3.931 -2.750 0.301 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.880 -0.104 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.700 -1.693 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.109 0.007 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.270 0.661 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.421 -0.338 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.163 0.015 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.606 -1.657 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.358 -0.880 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.471 -2.235 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.329 -0.919 -2.369 1.00 0.00 H new ATOM 777 N LYS A 48 -6.812 -2.170 -1.061 1.00 0.00 N ATOM 778 CA LYS A 48 -8.129 -2.326 -1.656 1.00 0.00 C ATOM 779 C LYS A 48 -9.172 -1.660 -0.756 1.00 0.00 C ATOM 780 O LYS A 48 -10.149 -1.094 -1.245 1.00 0.00 O ATOM 781 CB LYS A 48 -8.417 -3.801 -1.943 1.00 0.00 C ATOM 782 CG LYS A 48 -8.207 -4.122 -3.424 1.00 0.00 C ATOM 783 CD LYS A 48 -8.129 -5.633 -3.652 1.00 0.00 C ATOM 784 CE LYS A 48 -8.749 -6.018 -4.996 1.00 0.00 C ATOM 785 NZ LYS A 48 -8.111 -7.242 -5.530 1.00 0.00 N ATOM 0 H LYS A 48 -6.314 -3.044 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.172 -1.823 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.764 -4.428 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.442 -4.037 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.026 -3.704 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.290 -3.650 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.088 -5.955 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.647 -6.153 -2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.820 -6.182 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.630 -5.199 -5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.544 -7.489 -6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.094 -7.073 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.247 -8.025 -4.859 1.00 0.00 H new ATOM 799 N GLU A 49 -8.929 -1.749 0.544 1.00 0.00 N ATOM 800 CA GLU A 49 -9.835 -1.162 1.516 1.00 0.00 C ATOM 801 C GLU A 49 -10.332 0.199 1.025 1.00 0.00 C ATOM 802 O GLU A 49 -11.425 0.633 1.388 1.00 0.00 O ATOM 803 CB GLU A 49 -9.165 -1.039 2.886 1.00 0.00 C ATOM 804 CG GLU A 49 -9.001 -2.412 3.541 1.00 0.00 C ATOM 805 CD GLU A 49 -10.252 -2.794 4.335 1.00 0.00 C ATOM 806 OE1 GLU A 49 -11.178 -3.346 3.703 1.00 0.00 O ATOM 807 OE2 GLU A 49 -10.253 -2.525 5.556 1.00 0.00 O ATOM 0 H GLU A 49 -8.118 -2.219 0.946 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.695 -1.823 1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.189 -0.565 2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.762 -0.394 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.808 -3.163 2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.135 -2.402 4.203 1.00 0.00 H new ATOM 814 N LYS A 50 -9.506 0.835 0.207 1.00 0.00 N ATOM 815 CA LYS A 50 -9.848 2.138 -0.337 1.00 0.00 C ATOM 816 C LYS A 50 -9.658 2.117 -1.855 1.00 0.00 C ATOM 817 O LYS A 50 -10.436 2.723 -2.590 1.00 0.00 O ATOM 818 CB LYS A 50 -9.052 3.239 0.367 1.00 0.00 C ATOM 819 CG LYS A 50 -9.873 4.525 0.475 1.00 0.00 C ATOM 820 CD LYS A 50 -10.267 4.805 1.926 1.00 0.00 C ATOM 821 CE LYS A 50 -11.537 5.656 1.996 1.00 0.00 C ATOM 822 NZ LYS A 50 -12.652 4.875 2.578 1.00 0.00 N ATOM 0 H LYS A 50 -8.601 0.472 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.897 2.366 -0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.763 2.903 1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.132 3.436 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.296 5.363 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.770 4.441 -0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.427 3.863 2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.452 5.319 2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.354 6.545 2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.808 5.999 0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.506 5.467 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.837 4.040 1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.397 4.569 3.539 1.00 0.00 H new ATOM 836 N GLY A 51 -8.618 1.413 -2.280 1.00 0.00 N ATOM 837 CA GLY A 51 -8.316 1.306 -3.697 1.00 0.00 C ATOM 838 C GLY A 51 -7.121 2.185 -4.071 1.00 0.00 C ATOM 839 O GLY A 51 -6.496 1.980 -5.110 1.00 0.00 O ATOM 0 H GLY A 51 -7.975 0.912 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.101 0.268 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.187 1.602 -4.281 1.00 0.00 H new ATOM 843 N PHE A 52 -6.841 3.147 -3.204 1.00 0.00 N ATOM 844 CA PHE A 52 -5.732 4.058 -3.430 1.00 0.00 C ATOM 845 C PHE A 52 -5.319 4.064 -4.903 1.00 0.00 C ATOM 846 O PHE A 52 -6.084 4.495 -5.764 1.00 0.00 O ATOM 847 CB PHE A 52 -4.560 3.555 -2.586 1.00 0.00 C ATOM 848 CG PHE A 52 -4.790 3.658 -1.077 1.00 0.00 C ATOM 849 CD1 PHE A 52 -5.067 4.864 -0.511 1.00 0.00 C ATOM 850 CD2 PHE A 52 -4.718 2.543 -0.300 1.00 0.00 C ATOM 851 CE1 PHE A 52 -5.280 4.959 0.889 1.00 0.00 C ATOM 852 CE2 PHE A 52 -4.932 2.639 1.100 1.00 0.00 C ATOM 853 CZ PHE A 52 -5.209 3.845 1.665 1.00 0.00 C ATOM 0 H PHE A 52 -7.363 3.315 -2.344 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.023 5.073 -3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.361 2.514 -2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.667 4.124 -2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.125 5.749 -1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.498 1.585 -0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.499 5.917 1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.875 1.754 1.717 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.373 3.918 2.730 1.00 0.00 H new ATOM 863 N LYS A 53 -4.109 3.582 -5.147 1.00 0.00 N ATOM 864 CA LYS A 53 -3.585 3.526 -6.501 1.00 0.00 C ATOM 865 C LYS A 53 -2.429 2.525 -6.555 1.00 0.00 C ATOM 866 O LYS A 53 -1.388 2.806 -7.146 1.00 0.00 O ATOM 867 CB LYS A 53 -3.210 4.927 -6.988 1.00 0.00 C ATOM 868 CG LYS A 53 -3.833 5.218 -8.355 1.00 0.00 C ATOM 869 CD LYS A 53 -2.972 4.646 -9.483 1.00 0.00 C ATOM 870 CE LYS A 53 -3.790 3.712 -10.378 1.00 0.00 C ATOM 871 NZ LYS A 53 -2.903 2.749 -11.069 1.00 0.00 N ATOM 0 H LYS A 53 -3.477 3.227 -4.430 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.349 3.168 -7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.548 5.670 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.125 5.015 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.833 4.787 -8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.943 6.294 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.561 5.460 -10.080 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.127 4.103 -9.060 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.524 3.174 -9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.345 4.296 -11.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.474 2.123 -11.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.219 3.267 -11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.392 2.180 -10.364 1.00 0.00 H new ATOM 885 N VAL A 54 -2.652 1.378 -5.930 1.00 0.00 N ATOM 886 CA VAL A 54 -1.641 0.335 -5.900 1.00 0.00 C ATOM 887 C VAL A 54 -2.086 -0.826 -6.792 1.00 0.00 C ATOM 888 O VAL A 54 -2.936 -0.653 -7.664 1.00 0.00 O ATOM 889 CB VAL A 54 -1.372 -0.091 -4.455 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.122 -0.318 -4.220 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.933 0.934 -3.468 1.00 0.00 C ATOM 0 H VAL A 54 -3.517 1.148 -5.441 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.696 0.707 -6.297 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.886 -1.037 -4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.286 -0.620 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.480 -1.101 -4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.666 0.605 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.728 0.607 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.461 1.901 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.010 1.025 -3.611 1.00 0.00 H new ATOM 901 N ALA A 55 -1.491 -1.983 -6.543 1.00 0.00 N ATOM 902 CA ALA A 55 -1.815 -3.172 -7.313 1.00 0.00 C ATOM 903 C ALA A 55 -0.692 -4.199 -7.155 1.00 0.00 C ATOM 904 O ALA A 55 0.475 -3.833 -7.022 1.00 0.00 O ATOM 905 CB ALA A 55 -2.050 -2.786 -8.775 1.00 0.00 C ATOM 0 H ALA A 55 -0.786 -2.123 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.734 -3.629 -6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.293 -3.678 -9.352 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.876 -2.078 -8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.148 -2.327 -9.180 1.00 0.00 H new ATOM 911 N ARG A 56 -1.084 -5.465 -7.175 1.00 0.00 N ATOM 912 CA ARG A 56 -0.125 -6.547 -7.035 1.00 0.00 C ATOM 913 C ARG A 56 1.217 -6.150 -7.654 1.00 0.00 C ATOM 914 O ARG A 56 2.268 -6.345 -7.045 1.00 0.00 O ATOM 915 CB ARG A 56 -0.632 -7.823 -7.710 1.00 0.00 C ATOM 916 CG ARG A 56 -1.483 -8.652 -6.745 1.00 0.00 C ATOM 917 CD ARG A 56 -1.045 -10.118 -6.747 1.00 0.00 C ATOM 918 NE ARG A 56 -2.231 -11.001 -6.797 1.00 0.00 N ATOM 919 CZ ARG A 56 -2.202 -12.275 -7.210 1.00 0.00 C ATOM 920 NH1 ARG A 56 -1.047 -12.823 -7.611 1.00 0.00 N ATOM 921 NH2 ARG A 56 -3.328 -13.002 -7.221 1.00 0.00 N ATOM 0 H ARG A 56 -2.053 -5.765 -7.286 1.00 0.00 H new ATOM 0 HA ARG A 56 0.005 -6.740 -5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.221 -7.564 -8.590 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.214 -8.416 -8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.397 -8.245 -5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.533 -8.582 -7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.401 -10.312 -7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.459 -10.332 -5.853 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.127 -10.616 -6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.190 -12.270 -7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.025 -13.793 -7.925 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.207 -12.585 -6.915 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.306 -13.972 -7.536 1.00 0.00 H new ATOM 935 N ARG A 57 1.138 -5.601 -8.857 1.00 0.00 N ATOM 936 CA ARG A 57 2.334 -5.175 -9.565 1.00 0.00 C ATOM 937 C ARG A 57 3.067 -4.095 -8.767 1.00 0.00 C ATOM 938 O ARG A 57 4.260 -4.221 -8.496 1.00 0.00 O ATOM 939 CB ARG A 57 1.987 -4.628 -10.951 1.00 0.00 C ATOM 940 CG ARG A 57 3.254 -4.306 -11.746 1.00 0.00 C ATOM 941 CD ARG A 57 2.940 -3.392 -12.933 1.00 0.00 C ATOM 942 NE ARG A 57 3.168 -1.979 -12.557 1.00 0.00 N ATOM 943 CZ ARG A 57 2.721 -0.932 -13.265 1.00 0.00 C ATOM 944 NH1 ARG A 57 2.020 -1.134 -14.389 1.00 0.00 N ATOM 945 NH2 ARG A 57 2.976 0.316 -12.849 1.00 0.00 N ATOM 0 H ARG A 57 0.265 -5.441 -9.360 1.00 0.00 H new ATOM 0 HA ARG A 57 2.979 -6.046 -9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.388 -5.359 -11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.379 -3.729 -10.849 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.984 -3.824 -11.095 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.707 -5.230 -12.104 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.569 -3.657 -13.783 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.905 -3.531 -13.246 1.00 0.00 H new ATOM 0 HE ARG A 57 3.698 -1.790 -11.706 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.827 -2.084 -14.706 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.680 -0.338 -14.928 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.510 0.469 -11.994 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.636 1.113 -13.388 1.00 0.00 H new ATOM 959 N THR A 58 2.323 -3.058 -8.413 1.00 0.00 N ATOM 960 CA THR A 58 2.887 -1.957 -7.651 1.00 0.00 C ATOM 961 C THR A 58 3.428 -2.458 -6.310 1.00 0.00 C ATOM 962 O THR A 58 4.560 -2.152 -5.940 1.00 0.00 O ATOM 963 CB THR A 58 1.810 -0.880 -7.508 1.00 0.00 C ATOM 964 OG1 THR A 58 1.947 -0.093 -8.688 1.00 0.00 O ATOM 965 CG2 THR A 58 2.109 0.100 -6.371 1.00 0.00 C ATOM 0 H THR A 58 1.334 -2.957 -8.640 1.00 0.00 H new ATOM 0 HA THR A 58 3.741 -1.516 -8.166 1.00 0.00 H new ATOM 0 HB THR A 58 0.844 -1.354 -7.335 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.284 0.629 -8.678 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.314 0.843 -6.313 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.167 -0.444 -5.428 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.059 0.599 -6.561 1.00 0.00 H new ATOM 973 N VAL A 59 2.592 -3.219 -5.619 1.00 0.00 N ATOM 974 CA VAL A 59 2.971 -3.765 -4.327 1.00 0.00 C ATOM 975 C VAL A 59 4.256 -4.582 -4.481 1.00 0.00 C ATOM 976 O VAL A 59 5.180 -4.449 -3.680 1.00 0.00 O ATOM 977 CB VAL A 59 1.814 -4.577 -3.742 1.00 0.00 C ATOM 978 CG1 VAL A 59 1.952 -4.712 -2.224 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.466 -3.957 -4.116 1.00 0.00 C ATOM 0 H VAL A 59 1.654 -3.470 -5.930 1.00 0.00 H new ATOM 0 HA VAL A 59 3.178 -2.962 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 59 1.855 -5.577 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.117 -5.293 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.888 -5.217 -1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.949 -3.722 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.340 -4.553 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.412 -2.941 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.364 -3.935 -5.201 1.00 0.00 H new ATOM 989 N ALA A 60 4.273 -5.409 -5.516 1.00 0.00 N ATOM 990 CA ALA A 60 5.429 -6.247 -5.785 1.00 0.00 C ATOM 991 C ALA A 60 6.687 -5.377 -5.821 1.00 0.00 C ATOM 992 O ALA A 60 7.720 -5.750 -5.266 1.00 0.00 O ATOM 993 CB ALA A 60 5.212 -7.011 -7.093 1.00 0.00 C ATOM 0 H ALA A 60 3.505 -5.517 -6.178 1.00 0.00 H new ATOM 0 HA ALA A 60 5.561 -6.985 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.079 -7.640 -7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.323 -7.636 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.079 -6.302 -7.911 1.00 0.00 H new ATOM 999 N LYS A 61 6.560 -4.234 -6.478 1.00 0.00 N ATOM 1000 CA LYS A 61 7.674 -3.308 -6.593 1.00 0.00 C ATOM 1001 C LYS A 61 8.047 -2.791 -5.203 1.00 0.00 C ATOM 1002 O LYS A 61 9.226 -2.707 -4.863 1.00 0.00 O ATOM 1003 CB LYS A 61 7.347 -2.198 -7.595 1.00 0.00 C ATOM 1004 CG LYS A 61 8.609 -1.721 -8.316 1.00 0.00 C ATOM 1005 CD LYS A 61 8.332 -1.472 -9.800 1.00 0.00 C ATOM 1006 CE LYS A 61 8.232 -2.792 -10.568 1.00 0.00 C ATOM 1007 NZ LYS A 61 7.907 -2.541 -11.990 1.00 0.00 N ATOM 0 H LYS A 61 5.702 -3.928 -6.937 1.00 0.00 H new ATOM 0 HA LYS A 61 8.552 -3.816 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.623 -2.563 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.882 -1.360 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.973 -0.804 -7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.397 -2.467 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.404 -0.911 -9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.128 -0.860 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.175 -3.335 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.465 -3.423 -10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.843 -3.447 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.997 -2.043 -12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.653 -1.957 -12.419 1.00 0.00 H new ATOM 1021 N TYR A 62 7.020 -2.458 -4.435 1.00 0.00 N ATOM 1022 CA TYR A 62 7.225 -1.952 -3.088 1.00 0.00 C ATOM 1023 C TYR A 62 7.827 -3.028 -2.183 1.00 0.00 C ATOM 1024 O TYR A 62 8.705 -2.742 -1.371 1.00 0.00 O ATOM 1025 CB TYR A 62 5.838 -1.577 -2.562 1.00 0.00 C ATOM 1026 CG TYR A 62 5.339 -0.212 -3.039 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.418 0.123 -4.376 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.811 0.685 -2.133 1.00 0.00 C ATOM 1029 CE1 TYR A 62 4.948 1.409 -4.824 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.342 1.970 -2.581 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.434 2.269 -3.905 1.00 0.00 C ATOM 1032 OH TYR A 62 3.990 3.483 -4.329 1.00 0.00 O ATOM 0 H TYR A 62 6.043 -2.529 -4.720 1.00 0.00 H new ATOM 0 HA TYR A 62 7.911 -1.105 -3.097 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.125 -2.341 -2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.860 -1.584 -1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.832 -0.578 -5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.750 0.423 -1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.003 1.684 -5.867 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.926 2.681 -1.882 1.00 0.00 H new ATOM 0 HH TYR A 62 3.666 3.409 -5.251 1.00 0.00 H new ATOM 1042 N ARG A 63 7.331 -4.245 -2.355 1.00 0.00 N ATOM 1043 CA ARG A 63 7.809 -5.366 -1.563 1.00 0.00 C ATOM 1044 C ARG A 63 9.337 -5.432 -1.604 1.00 0.00 C ATOM 1045 O ARG A 63 9.979 -5.679 -0.585 1.00 0.00 O ATOM 1046 CB ARG A 63 7.235 -6.688 -2.078 1.00 0.00 C ATOM 1047 CG ARG A 63 7.495 -7.822 -1.084 1.00 0.00 C ATOM 1048 CD ARG A 63 8.811 -8.536 -1.399 1.00 0.00 C ATOM 1049 NE ARG A 63 8.712 -9.966 -1.034 1.00 0.00 N ATOM 1050 CZ ARG A 63 8.630 -10.415 0.226 1.00 0.00 C ATOM 1051 NH1 ARG A 63 8.635 -9.549 1.248 1.00 0.00 N ATOM 1052 NH2 ARG A 63 8.542 -11.731 0.464 1.00 0.00 N ATOM 0 H ARG A 63 6.604 -4.479 -3.031 1.00 0.00 H new ATOM 0 HA ARG A 63 7.476 -5.213 -0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.163 -6.583 -2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.684 -6.933 -3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.528 -7.422 -0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.672 -8.536 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.042 -8.438 -2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.628 -8.068 -0.850 1.00 0.00 H new ATOM 0 HE ARG A 63 8.706 -10.653 -1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.701 -8.547 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.573 -9.891 2.207 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.537 -12.391 -0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.480 -12.073 1.423 1.00 0.00 H new ATOM 1066 N GLU A 64 9.876 -5.206 -2.794 1.00 0.00 N ATOM 1067 CA GLU A 64 11.316 -5.236 -2.981 1.00 0.00 C ATOM 1068 C GLU A 64 11.965 -4.030 -2.300 1.00 0.00 C ATOM 1069 O GLU A 64 13.036 -4.149 -1.706 1.00 0.00 O ATOM 1070 CB GLU A 64 11.675 -5.286 -4.468 1.00 0.00 C ATOM 1071 CG GLU A 64 12.575 -6.484 -4.775 1.00 0.00 C ATOM 1072 CD GLU A 64 12.728 -6.682 -6.284 1.00 0.00 C ATOM 1073 OE1 GLU A 64 11.688 -6.613 -6.974 1.00 0.00 O ATOM 1074 OE2 GLU A 64 13.882 -6.899 -6.714 1.00 0.00 O ATOM 0 H GLU A 64 9.341 -5.001 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 64 11.704 -6.143 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.764 -5.349 -5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.181 -4.364 -4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.555 -6.332 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.154 -7.384 -4.327 1.00 0.00 H new ATOM 1081 N MET A 65 11.291 -2.895 -2.410 1.00 0.00 N ATOM 1082 CA MET A 65 11.788 -1.667 -1.812 1.00 0.00 C ATOM 1083 C MET A 65 11.761 -1.751 -0.285 1.00 0.00 C ATOM 1084 O MET A 65 12.654 -1.235 0.385 1.00 0.00 O ATOM 1085 CB MET A 65 10.930 -0.489 -2.275 1.00 0.00 C ATOM 1086 CG MET A 65 11.081 -0.258 -3.780 1.00 0.00 C ATOM 1087 SD MET A 65 10.499 1.374 -4.209 1.00 0.00 S ATOM 1088 CE MET A 65 9.052 0.947 -5.163 1.00 0.00 C ATOM 0 H MET A 65 10.404 -2.800 -2.905 1.00 0.00 H new ATOM 0 HA MET A 65 12.820 -1.522 -2.131 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.884 -0.681 -2.036 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.221 0.412 -1.734 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.126 -0.368 -4.070 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.516 -1.011 -4.330 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.243 1.638 -4.926 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.285 1.012 -6.226 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.743 -0.070 -4.921 1.00 0.00 H new ATOM 1098 N LEU A 66 10.725 -2.404 0.222 1.00 0.00 N ATOM 1099 CA LEU A 66 10.569 -2.562 1.658 1.00 0.00 C ATOM 1100 C LEU A 66 11.428 -3.734 2.134 1.00 0.00 C ATOM 1101 O LEU A 66 12.466 -3.533 2.763 1.00 0.00 O ATOM 1102 CB LEU A 66 9.089 -2.695 2.024 1.00 0.00 C ATOM 1103 CG LEU A 66 8.282 -1.395 2.037 1.00 0.00 C ATOM 1104 CD1 LEU A 66 8.741 -0.454 0.922 1.00 0.00 C ATOM 1105 CD2 LEU A 66 6.781 -1.681 1.965 1.00 0.00 C ATOM 0 H LEU A 66 9.985 -2.830 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 66 10.924 -1.674 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.621 -3.383 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.019 -3.153 3.011 1.00 0.00 H new ATOM 0 HG LEU A 66 8.467 -0.887 2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.151 0.462 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.795 -0.212 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.604 -0.940 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.230 -0.740 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.557 -2.222 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.484 -2.285 2.822 1.00 0.00 H new ATOM 1117 N GLY A 67 10.964 -4.934 1.816 1.00 0.00 N ATOM 1118 CA GLY A 67 11.678 -6.139 2.204 1.00 0.00 C ATOM 1119 C GLY A 67 12.936 -6.329 1.354 1.00 0.00 C ATOM 1120 O GLY A 67 12.967 -7.179 0.466 1.00 0.00 O ATOM 0 H GLY A 67 10.103 -5.098 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.952 -6.080 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.025 -7.005 2.092 1.00 0.00 H new TER 1124 GLY A 67