USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 871 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 52 TYR OH : rot 117:sc= 0.647 USER MOD Set 1.2: A 65 GLN : amide:sc= -3.64! C(o=-3!,f=-5.3!) USER MOD Set 2.1: A 54 GLN : amide:sc= 0.455 K(o=0.15,f=-4.3!) USER MOD Set 2.2: A 88 TYR OH : rot 48:sc= -0.303 USER MOD Set 3.1: A 33 GLN : amide:sc= 0 K(o=1.1,f=-0.36) USER MOD Set 3.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 76 SER OG : rot 59:sc= 1.12 USER MOD Set 4.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 31 THR OG1 : rot 180:sc= -0.108 USER MOD Set 5.1: A 22 HIS : no HE2:sc= -0.481 K(o=-0.7,f=-3.1) USER MOD Set 5.2: A 37 THR OG1 : rot -105:sc= -0.219 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 12 LYS NZ :NH3+ 150:sc= -0.32 (180deg=-1.58!) USER MOD Single : A 23 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.85) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0329 K(o=-0.033,f=-0.84) USER MOD Single : A 43 GLN : amide:sc= -0.0316 X(o=-0.032,f=0) USER MOD Single : A 46 GLN : amide:sc=-0.00379 X(o=-0.0038,f=-0.2) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 152:sc= -1.53 (180deg=-3!) USER MOD Single : A 55 THR OG1 : rot -76:sc= 1.16 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -51:sc= 1.15 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.58 K(o=-1.6,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ -112:sc= -0.472 (180deg=-1.78!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 81 ASN : amide:sc= -7.97! C(o=-8!,f=-5.9!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.111) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= -0.0735 (180deg=-0.432) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 100 GLN : amide:sc= -4.54! C(o=-4.5!,f=-8.5!) USER MOD Single : A 102 MET CE :methyl 151:sc= -0.345 (180deg=-1.39) USER MOD Single : A 104 SER OG : rot -83:sc= 1.8 USER MOD Single : A 106 SER OG : rot 37:sc= 0.408 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 157:sc= 1.08 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.168 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -21.689 15.479 9.115 1.00 0.00 N ATOM 67 CA ARG A 8 -22.874 15.321 8.281 1.00 0.00 C ATOM 68 C ARG A 8 -22.501 14.780 6.904 1.00 0.00 C ATOM 69 O ARG A 8 -23.251 14.007 6.307 1.00 0.00 O ATOM 70 CB ARG A 8 -23.603 16.658 8.136 1.00 0.00 C ATOM 71 CG ARG A 8 -24.234 17.151 9.427 1.00 0.00 C ATOM 72 CD ARG A 8 -25.358 18.140 9.157 1.00 0.00 C ATOM 73 NE ARG A 8 -25.896 18.708 10.390 1.00 0.00 N ATOM 74 CZ ARG A 8 -26.983 19.470 10.434 1.00 0.00 C ATOM 75 NH1 ARG A 8 -27.644 19.754 9.321 1.00 0.00 N ATOM 76 NH2 ARG A 8 -27.411 19.950 11.595 1.00 0.00 N ATOM 0 HA ARG A 8 -23.537 14.605 8.766 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.899 17.409 7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.379 16.558 7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.622 16.303 9.990 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -23.473 17.624 10.047 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -24.989 18.943 8.519 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -26.157 17.640 8.610 1.00 0.00 H new ATOM 0 HE ARG A 8 -25.411 18.509 11.265 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.318 19.387 8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -28.478 20.339 9.359 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -26.905 19.734 12.454 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -28.246 20.535 11.628 1.00 0.00 H new ATOM 90 N GLN A 9 -21.340 15.193 6.406 1.00 0.00 N ATOM 91 CA GLN A 9 -20.870 14.750 5.098 1.00 0.00 C ATOM 92 C GLN A 9 -20.159 13.405 5.203 1.00 0.00 C ATOM 93 O GLN A 9 -19.493 12.969 4.263 1.00 0.00 O ATOM 94 CB GLN A 9 -19.929 15.793 4.492 1.00 0.00 C ATOM 95 CG GLN A 9 -19.575 15.520 3.039 1.00 0.00 C ATOM 96 CD GLN A 9 -18.864 16.688 2.383 1.00 0.00 C ATOM 97 OE1 GLN A 9 -19.433 17.382 1.541 1.00 0.00 O ATOM 98 NE2 GLN A 9 -17.612 16.910 2.766 1.00 0.00 N ATOM 0 H GLN A 9 -20.708 15.833 6.887 1.00 0.00 H new ATOM 0 HA GLN A 9 -21.737 14.632 4.448 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -20.394 16.776 4.566 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.012 15.829 5.080 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.940 14.635 2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -20.485 15.295 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -17.179 16.309 3.468 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -17.083 17.681 2.359 1.00 0.00 H new ATOM 107 N VAL A 10 -20.304 12.752 6.351 1.00 0.00 N ATOM 108 CA VAL A 10 -19.676 11.455 6.578 1.00 0.00 C ATOM 109 C VAL A 10 -20.257 10.394 5.650 1.00 0.00 C ATOM 110 O VAL A 10 -19.521 9.697 4.953 1.00 0.00 O ATOM 111 CB VAL A 10 -19.849 10.996 8.038 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.322 10.800 8.365 1.00 0.00 C ATOM 113 CG2 VAL A 10 -19.064 9.718 8.290 1.00 0.00 C ATOM 0 H VAL A 10 -20.851 13.099 7.139 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.613 11.576 6.367 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.456 11.772 8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.425 10.476 9.401 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -21.854 11.741 8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.744 10.043 7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -19.197 9.408 9.326 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.425 8.932 7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.006 9.897 8.098 1.00 0.00 H new ATOM 123 N GLN A 11 -21.581 10.278 5.648 1.00 0.00 N ATOM 124 CA GLN A 11 -22.260 9.301 4.805 1.00 0.00 C ATOM 125 C GLN A 11 -22.471 9.849 3.398 1.00 0.00 C ATOM 126 O GLN A 11 -23.224 9.282 2.605 1.00 0.00 O ATOM 127 CB GLN A 11 -23.605 8.912 5.421 1.00 0.00 C ATOM 128 CG GLN A 11 -23.493 7.857 6.510 1.00 0.00 C ATOM 129 CD GLN A 11 -24.777 7.073 6.696 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.873 7.597 6.494 1.00 0.00 O ATOM 131 NE2 GLN A 11 -24.648 5.809 7.083 1.00 0.00 N ATOM 0 H GLN A 11 -22.204 10.848 6.220 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.629 8.415 4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.076 9.803 5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.262 8.542 4.634 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.684 7.169 6.263 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.226 8.338 7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -23.720 5.416 7.239 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -25.477 5.232 7.224 1.00 0.00 H new ATOM 140 N LYS A 12 -21.802 10.955 3.092 1.00 0.00 N ATOM 141 CA LYS A 12 -21.915 11.581 1.780 1.00 0.00 C ATOM 142 C LYS A 12 -20.585 11.527 1.035 1.00 0.00 C ATOM 143 O LYS A 12 -20.525 11.090 -0.114 1.00 0.00 O ATOM 144 CB LYS A 12 -22.373 13.034 1.923 1.00 0.00 C ATOM 145 CG LYS A 12 -23.069 13.577 0.687 1.00 0.00 C ATOM 146 CD LYS A 12 -23.343 15.066 0.810 1.00 0.00 C ATOM 147 CE LYS A 12 -24.704 15.333 1.435 1.00 0.00 C ATOM 148 NZ LYS A 12 -24.716 15.017 2.891 1.00 0.00 N ATOM 0 H LYS A 12 -21.175 11.437 3.736 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.657 11.028 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.050 13.111 2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.508 13.658 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -22.450 13.391 -0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -24.008 13.045 0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.566 15.531 1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -23.297 15.528 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -24.973 16.379 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -25.461 14.735 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -25.398 15.636 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -24.992 14.024 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.767 15.171 3.287 1.00 0.00 H new ATOM 162 N GLU A 13 -19.522 11.971 1.698 1.00 0.00 N ATOM 163 CA GLU A 13 -18.193 11.972 1.097 1.00 0.00 C ATOM 164 C GLU A 13 -17.563 10.584 1.169 1.00 0.00 C ATOM 165 O GLU A 13 -16.958 10.113 0.205 1.00 0.00 O ATOM 166 CB GLU A 13 -17.292 12.990 1.799 1.00 0.00 C ATOM 167 CG GLU A 13 -15.809 12.708 1.632 1.00 0.00 C ATOM 168 CD GLU A 13 -14.937 13.783 2.250 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.336 14.343 3.293 1.00 0.00 O ATOM 170 OE2 GLU A 13 -13.856 14.066 1.692 1.00 0.00 O ATOM 0 H GLU A 13 -19.555 12.334 2.651 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.296 12.252 0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.510 13.985 1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.533 13.004 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.572 11.747 2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.577 12.623 0.570 1.00 0.00 H new ATOM 177 N LEU A 14 -17.707 9.934 2.319 1.00 0.00 N ATOM 178 CA LEU A 14 -17.152 8.600 2.519 1.00 0.00 C ATOM 179 C LEU A 14 -17.175 7.801 1.220 1.00 0.00 C ATOM 180 O LEU A 14 -16.241 7.059 0.919 1.00 0.00 O ATOM 181 CB LEU A 14 -17.936 7.857 3.602 1.00 0.00 C ATOM 182 CG LEU A 14 -17.567 6.388 3.809 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.466 6.255 4.850 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.791 5.583 4.220 1.00 0.00 C ATOM 0 H LEU A 14 -18.204 10.309 3.127 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.116 8.708 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.798 8.382 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.997 7.913 3.358 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.196 5.991 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.217 5.202 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.582 6.798 4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.809 6.670 5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.509 4.540 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.192 5.981 5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.549 5.650 3.440 1.00 0.00 H new ATOM 196 N GLY A 15 -18.249 7.959 0.452 1.00 0.00 N ATOM 197 CA GLY A 15 -18.372 7.248 -0.807 1.00 0.00 C ATOM 198 C GLY A 15 -17.813 8.035 -1.975 1.00 0.00 C ATOM 199 O GLY A 15 -17.070 7.498 -2.796 1.00 0.00 O ATOM 0 H GLY A 15 -19.036 8.567 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.851 6.293 -0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.422 7.024 -0.993 1.00 0.00 H new ATOM 203 N ASP A 16 -18.172 9.312 -2.051 1.00 0.00 N ATOM 204 CA ASP A 16 -17.702 10.175 -3.129 1.00 0.00 C ATOM 205 C ASP A 16 -16.199 10.018 -3.334 1.00 0.00 C ATOM 206 O ASP A 16 -15.752 9.508 -4.361 1.00 0.00 O ATOM 207 CB ASP A 16 -18.038 11.636 -2.824 1.00 0.00 C ATOM 208 CG ASP A 16 -19.527 11.912 -2.885 1.00 0.00 C ATOM 209 OD1 ASP A 16 -20.316 10.956 -2.732 1.00 0.00 O ATOM 210 OD2 ASP A 16 -19.905 13.086 -3.084 1.00 0.00 O ATOM 0 H ASP A 16 -18.787 9.772 -1.380 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.209 9.878 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.664 11.893 -1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.522 12.281 -3.536 1.00 0.00 H new ATOM 215 N VAL A 17 -15.423 10.462 -2.350 1.00 0.00 N ATOM 216 CA VAL A 17 -13.969 10.371 -2.423 1.00 0.00 C ATOM 217 C VAL A 17 -13.531 9.028 -2.996 1.00 0.00 C ATOM 218 O VAL A 17 -14.097 7.985 -2.666 1.00 0.00 O ATOM 219 CB VAL A 17 -13.325 10.560 -1.037 1.00 0.00 C ATOM 220 CG1 VAL A 17 -13.832 9.507 -0.063 1.00 0.00 C ATOM 221 CG2 VAL A 17 -11.808 10.513 -1.144 1.00 0.00 C ATOM 0 H VAL A 17 -15.777 10.888 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.634 11.171 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.610 11.540 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.365 9.657 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.914 9.594 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.580 8.514 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.369 10.648 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.501 9.548 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.465 11.309 -1.805 1.00 0.00 H new ATOM 231 N LEU A 18 -12.518 9.059 -3.855 1.00 0.00 N ATOM 232 CA LEU A 18 -12.002 7.844 -4.474 1.00 0.00 C ATOM 233 C LEU A 18 -10.507 7.690 -4.210 1.00 0.00 C ATOM 234 O LEU A 18 -9.734 8.632 -4.390 1.00 0.00 O ATOM 235 CB LEU A 18 -12.265 7.864 -5.981 1.00 0.00 C ATOM 236 CG LEU A 18 -12.261 6.505 -6.681 1.00 0.00 C ATOM 237 CD1 LEU A 18 -12.951 6.599 -8.033 1.00 0.00 C ATOM 238 CD2 LEU A 18 -10.837 5.992 -6.842 1.00 0.00 C ATOM 0 H LEU A 18 -12.038 9.913 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.520 6.993 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.232 8.337 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.512 8.495 -6.453 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.813 5.798 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.938 5.622 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.983 6.922 -7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.427 7.321 -8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.853 5.024 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.261 6.699 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.375 5.885 -5.860 1.00 0.00 H new ATOM 250 N VAL A 19 -10.106 6.497 -3.783 1.00 0.00 N ATOM 251 CA VAL A 19 -8.704 6.219 -3.497 1.00 0.00 C ATOM 252 C VAL A 19 -8.021 5.555 -4.688 1.00 0.00 C ATOM 253 O VAL A 19 -8.574 4.646 -5.306 1.00 0.00 O ATOM 254 CB VAL A 19 -8.552 5.312 -2.262 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.088 4.976 -2.022 1.00 0.00 C ATOM 256 CG2 VAL A 19 -9.164 5.974 -1.036 1.00 0.00 C ATOM 0 H VAL A 19 -10.733 5.707 -3.628 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.226 7.178 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.087 4.381 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.001 4.334 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.686 4.457 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.526 5.895 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.048 5.319 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.659 6.921 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.224 6.157 -1.212 1.00 0.00 H new ATOM 266 N ARG A 20 -6.816 6.017 -5.005 1.00 0.00 N ATOM 267 CA ARG A 20 -6.057 5.469 -6.123 1.00 0.00 C ATOM 268 C ARG A 20 -4.946 4.548 -5.626 1.00 0.00 C ATOM 269 O ARG A 20 -3.868 5.007 -5.247 1.00 0.00 O ATOM 270 CB ARG A 20 -5.460 6.598 -6.964 1.00 0.00 C ATOM 271 CG ARG A 20 -6.393 7.106 -8.051 1.00 0.00 C ATOM 272 CD ARG A 20 -5.723 8.170 -8.908 1.00 0.00 C ATOM 273 NE ARG A 20 -6.554 8.561 -10.043 1.00 0.00 N ATOM 274 CZ ARG A 20 -6.614 7.878 -11.181 1.00 0.00 C ATOM 275 NH1 ARG A 20 -5.895 6.774 -11.333 1.00 0.00 N ATOM 276 NH2 ARG A 20 -7.394 8.298 -12.168 1.00 0.00 N ATOM 0 H ARG A 20 -6.344 6.770 -4.503 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.739 4.886 -6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.195 7.427 -6.308 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.536 6.247 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.706 6.274 -8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.294 7.518 -7.596 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.509 9.046 -8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.767 7.794 -9.271 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.120 9.405 -9.958 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.295 6.448 -10.576 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.942 6.251 -12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.949 9.146 -12.054 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.439 7.773 -13.041 1.00 0.00 H new ATOM 290 N LEU A 21 -5.217 3.248 -5.631 1.00 0.00 N ATOM 291 CA LEU A 21 -4.241 2.261 -5.181 1.00 0.00 C ATOM 292 C LEU A 21 -3.296 1.874 -6.314 1.00 0.00 C ATOM 293 O LEU A 21 -3.517 0.882 -7.009 1.00 0.00 O ATOM 294 CB LEU A 21 -4.953 1.017 -4.648 1.00 0.00 C ATOM 295 CG LEU A 21 -4.057 -0.049 -4.015 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.333 0.514 -2.801 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.876 -1.273 -3.629 1.00 0.00 C ATOM 0 H LEU A 21 -6.104 2.852 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.653 2.707 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.688 1.333 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.505 0.559 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.311 -0.352 -4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.700 -0.259 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.716 1.359 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.064 0.845 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.223 -2.021 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.644 -0.985 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.348 -1.690 -4.518 1.00 0.00 H new ATOM 309 N HIS A 22 -2.240 2.663 -6.492 1.00 0.00 N ATOM 310 CA HIS A 22 -1.259 2.401 -7.539 1.00 0.00 C ATOM 311 C HIS A 22 -0.899 0.919 -7.588 1.00 0.00 C ATOM 312 O HIS A 22 -1.332 0.194 -8.482 1.00 0.00 O ATOM 313 CB HIS A 22 0.000 3.237 -7.308 1.00 0.00 C ATOM 314 CG HIS A 22 -0.258 4.712 -7.277 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.179 5.573 -8.262 1.00 0.00 N ATOM 316 CD2 HIS A 22 -0.913 5.478 -6.374 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.195 6.805 -7.964 1.00 0.00 C ATOM 318 NE2 HIS A 22 -0.860 6.774 -6.824 1.00 0.00 N ATOM 0 H HIS A 22 -2.042 3.488 -5.925 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.701 2.681 -8.495 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.458 2.937 -6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.721 3.019 -8.096 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.708 5.301 -9.091 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.389 5.134 -5.468 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.009 7.687 -8.553 1.00 0.00 H new ATOM 327 N ASN A 23 -0.102 0.477 -6.620 1.00 0.00 N ATOM 328 CA ASN A 23 0.318 -0.918 -6.553 1.00 0.00 C ATOM 329 C ASN A 23 1.123 -1.184 -5.285 1.00 0.00 C ATOM 330 O ASN A 23 1.966 -0.385 -4.877 1.00 0.00 O ATOM 331 CB ASN A 23 1.150 -1.281 -7.785 1.00 0.00 C ATOM 332 CG ASN A 23 2.097 -2.436 -7.523 1.00 0.00 C ATOM 333 OD1 ASN A 23 1.858 -3.561 -7.960 1.00 0.00 O ATOM 334 ND2 ASN A 23 3.180 -2.161 -6.805 1.00 0.00 N ATOM 0 H ASN A 23 0.266 1.065 -5.872 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.577 -1.540 -6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.483 -1.541 -8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.723 -0.410 -8.103 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.854 -2.898 -6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.338 -1.213 -6.463 1.00 0.00 H new ATOM 341 N PRO A 24 0.859 -2.333 -4.647 1.00 0.00 N ATOM 342 CA PRO A 24 1.549 -2.732 -3.416 1.00 0.00 C ATOM 343 C PRO A 24 3.011 -3.090 -3.662 1.00 0.00 C ATOM 344 O PRO A 24 3.364 -4.266 -3.760 1.00 0.00 O ATOM 345 CB PRO A 24 0.767 -3.964 -2.954 1.00 0.00 C ATOM 346 CG PRO A 24 0.161 -4.517 -4.198 1.00 0.00 C ATOM 347 CD PRO A 24 -0.133 -3.333 -5.076 1.00 0.00 C ATOM 0 HA PRO A 24 1.573 -1.926 -2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.422 -4.692 -2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.001 -3.697 -2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.844 -5.209 -4.691 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.749 -5.073 -3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.024 -3.579 -6.132 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.152 -2.973 -4.936 1.00 0.00 H new ATOM 355 N VAL A 25 3.857 -2.070 -3.760 1.00 0.00 N ATOM 356 CA VAL A 25 5.282 -2.278 -3.992 1.00 0.00 C ATOM 357 C VAL A 25 5.840 -3.348 -3.061 1.00 0.00 C ATOM 358 O VAL A 25 5.976 -3.129 -1.857 1.00 0.00 O ATOM 359 CB VAL A 25 6.078 -0.974 -3.796 1.00 0.00 C ATOM 360 CG1 VAL A 25 7.565 -1.220 -4.005 1.00 0.00 C ATOM 361 CG2 VAL A 25 5.571 0.107 -4.738 1.00 0.00 C ATOM 0 H VAL A 25 3.581 -1.091 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 25 5.390 -2.609 -5.025 1.00 0.00 H new ATOM 0 HB VAL A 25 5.931 -0.630 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.112 -0.288 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.916 -1.960 -3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.734 -1.589 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.145 1.021 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.686 -0.226 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.518 0.302 -4.535 1.00 0.00 H new ATOM 371 N VAL A 26 6.164 -4.506 -3.626 1.00 0.00 N ATOM 372 CA VAL A 26 6.710 -5.611 -2.847 1.00 0.00 C ATOM 373 C VAL A 26 8.189 -5.394 -2.547 1.00 0.00 C ATOM 374 O VAL A 26 9.052 -5.716 -3.365 1.00 0.00 O ATOM 375 CB VAL A 26 6.537 -6.955 -3.580 1.00 0.00 C ATOM 376 CG1 VAL A 26 6.943 -6.822 -5.040 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.343 -8.045 -2.890 1.00 0.00 C ATOM 0 H VAL A 26 6.058 -4.704 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 26 6.153 -5.643 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 26 5.485 -7.237 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.814 -7.781 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.318 -6.072 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.988 -6.518 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.209 -8.988 -3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.399 -7.774 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.999 -8.156 -1.862 1.00 0.00 H new ATOM 387 N LEU A 27 8.474 -4.848 -1.371 1.00 0.00 N ATOM 388 CA LEU A 27 9.850 -4.588 -0.962 1.00 0.00 C ATOM 389 C LEU A 27 10.584 -5.891 -0.659 1.00 0.00 C ATOM 390 O LEU A 27 11.547 -6.247 -1.339 1.00 0.00 O ATOM 391 CB LEU A 27 9.875 -3.678 0.268 1.00 0.00 C ATOM 392 CG LEU A 27 9.064 -2.386 0.163 1.00 0.00 C ATOM 393 CD1 LEU A 27 8.910 -1.740 1.531 1.00 0.00 C ATOM 394 CD2 LEU A 27 9.722 -1.422 -0.814 1.00 0.00 C ATOM 0 H LEU A 27 7.771 -4.577 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 27 10.359 -4.089 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.507 -4.246 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.912 -3.417 0.481 1.00 0.00 H new ATOM 0 HG LEU A 27 8.071 -2.632 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.330 -0.822 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.395 -2.427 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.895 -1.507 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.132 -0.508 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.727 -1.182 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.779 -1.885 -1.799 1.00 0.00 H new ATOM 406 N THR A 28 10.120 -6.601 0.365 1.00 0.00 N ATOM 407 CA THR A 28 10.731 -7.865 0.757 1.00 0.00 C ATOM 408 C THR A 28 9.696 -8.984 0.805 1.00 0.00 C ATOM 409 O THR A 28 8.492 -8.745 0.897 1.00 0.00 O ATOM 410 CB THR A 28 11.416 -7.755 2.132 1.00 0.00 C ATOM 411 OG1 THR A 28 10.717 -6.812 2.954 1.00 0.00 O ATOM 412 CG2 THR A 28 12.867 -7.326 1.981 1.00 0.00 C ATOM 0 H THR A 28 9.323 -6.322 0.938 1.00 0.00 H new ATOM 0 HA THR A 28 11.482 -8.101 0.003 1.00 0.00 H new ATOM 0 HB THR A 28 11.392 -8.737 2.605 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.158 -6.749 3.827 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.330 -7.255 2.965 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.403 -8.061 1.380 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.910 -6.354 1.489 1.00 0.00 H new ATOM 420 N PRO A 29 10.174 -10.235 0.744 1.00 0.00 N ATOM 421 CA PRO A 29 9.307 -11.416 0.780 1.00 0.00 C ATOM 422 C PRO A 29 8.667 -11.624 2.148 1.00 0.00 C ATOM 423 O PRO A 29 7.948 -12.600 2.368 1.00 0.00 O ATOM 424 CB PRO A 29 10.261 -12.568 0.456 1.00 0.00 C ATOM 425 CG PRO A 29 11.603 -12.078 0.879 1.00 0.00 C ATOM 426 CD PRO A 29 11.598 -10.594 0.634 1.00 0.00 C ATOM 0 HA PRO A 29 8.472 -11.328 0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.983 -13.475 0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.244 -12.809 -0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.786 -12.299 1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.394 -12.565 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.204 -10.063 1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.000 -10.348 -0.349 1.00 0.00 H new ATOM 434 N THR A 30 8.931 -10.699 3.066 1.00 0.00 N ATOM 435 CA THR A 30 8.381 -10.781 4.414 1.00 0.00 C ATOM 436 C THR A 30 7.594 -9.524 4.764 1.00 0.00 C ATOM 437 O THR A 30 6.897 -9.476 5.778 1.00 0.00 O ATOM 438 CB THR A 30 9.491 -10.986 5.462 1.00 0.00 C ATOM 439 OG1 THR A 30 10.539 -10.032 5.259 1.00 0.00 O ATOM 440 CG2 THR A 30 10.059 -12.395 5.380 1.00 0.00 C ATOM 0 H THR A 30 9.522 -9.884 2.901 1.00 0.00 H new ATOM 0 HA THR A 30 7.712 -11.642 4.430 1.00 0.00 H new ATOM 0 HB THR A 30 9.057 -10.843 6.451 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.240 -10.168 5.930 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.841 -12.516 6.129 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.265 -13.119 5.564 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.478 -12.561 4.388 1.00 0.00 H new ATOM 448 N THR A 31 7.707 -8.505 3.917 1.00 0.00 N ATOM 449 CA THR A 31 7.006 -7.246 4.137 1.00 0.00 C ATOM 450 C THR A 31 6.677 -6.562 2.815 1.00 0.00 C ATOM 451 O THR A 31 7.522 -6.471 1.924 1.00 0.00 O ATOM 452 CB THR A 31 7.837 -6.285 5.007 1.00 0.00 C ATOM 453 OG1 THR A 31 8.349 -6.978 6.151 1.00 0.00 O ATOM 454 CG2 THR A 31 6.997 -5.100 5.459 1.00 0.00 C ATOM 0 H THR A 31 8.278 -8.527 3.072 1.00 0.00 H new ATOM 0 HA THR A 31 6.080 -7.487 4.659 1.00 0.00 H new ATOM 0 HB THR A 31 8.667 -5.913 4.407 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.878 -6.360 6.698 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.606 -4.435 6.072 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.634 -4.557 4.586 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.149 -5.457 6.043 1.00 0.00 H new ATOM 462 N VAL A 32 5.444 -6.080 2.695 1.00 0.00 N ATOM 463 CA VAL A 32 5.004 -5.401 1.482 1.00 0.00 C ATOM 464 C VAL A 32 4.471 -4.007 1.794 1.00 0.00 C ATOM 465 O VAL A 32 3.735 -3.817 2.762 1.00 0.00 O ATOM 466 CB VAL A 32 3.911 -6.205 0.754 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.457 -5.475 -0.501 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.413 -7.601 0.416 1.00 0.00 C ATOM 0 H VAL A 32 4.732 -6.147 3.423 1.00 0.00 H new ATOM 0 HA VAL A 32 5.876 -5.316 0.833 1.00 0.00 H new ATOM 0 HB VAL A 32 3.053 -6.303 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.685 -6.058 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.055 -4.499 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.305 -5.344 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.628 -8.155 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.288 -7.527 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.684 -8.122 1.334 1.00 0.00 H new ATOM 478 N GLN A 33 4.848 -3.036 0.969 1.00 0.00 N ATOM 479 CA GLN A 33 4.407 -1.659 1.158 1.00 0.00 C ATOM 480 C GLN A 33 3.248 -1.326 0.225 1.00 0.00 C ATOM 481 O GLN A 33 3.263 -1.683 -0.953 1.00 0.00 O ATOM 482 CB GLN A 33 5.567 -0.692 0.915 1.00 0.00 C ATOM 483 CG GLN A 33 5.320 0.704 1.462 1.00 0.00 C ATOM 484 CD GLN A 33 6.221 1.747 0.830 1.00 0.00 C ATOM 485 OE1 GLN A 33 7.325 1.439 0.379 1.00 0.00 O ATOM 486 NE2 GLN A 33 5.754 2.989 0.792 1.00 0.00 N ATOM 0 H GLN A 33 5.458 -3.177 0.163 1.00 0.00 H new ATOM 0 HA GLN A 33 4.063 -1.552 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.469 -1.098 1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.755 -0.625 -0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.279 0.978 1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.476 0.700 2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.833 3.200 1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.316 3.733 0.377 1.00 0.00 H new ATOM 495 N VAL A 34 2.243 -0.639 0.760 1.00 0.00 N ATOM 496 CA VAL A 34 1.075 -0.257 -0.025 1.00 0.00 C ATOM 497 C VAL A 34 0.894 1.257 -0.040 1.00 0.00 C ATOM 498 O VAL A 34 0.862 1.900 1.010 1.00 0.00 O ATOM 499 CB VAL A 34 -0.208 -0.911 0.522 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.420 -0.458 -0.277 1.00 0.00 C ATOM 501 CG2 VAL A 34 -0.082 -2.427 0.503 1.00 0.00 C ATOM 0 H VAL A 34 2.214 -0.336 1.733 1.00 0.00 H new ATOM 0 HA VAL A 34 1.248 -0.610 -1.042 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.345 -0.594 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.317 -0.930 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.518 0.625 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.295 -0.744 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.997 -2.873 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.080 -2.766 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.762 -2.730 1.123 1.00 0.00 H new ATOM 511 N THR A 35 0.776 1.822 -1.237 1.00 0.00 N ATOM 512 CA THR A 35 0.599 3.261 -1.389 1.00 0.00 C ATOM 513 C THR A 35 -0.665 3.579 -2.179 1.00 0.00 C ATOM 514 O THR A 35 -1.083 2.802 -3.038 1.00 0.00 O ATOM 515 CB THR A 35 1.808 3.904 -2.095 1.00 0.00 C ATOM 516 OG1 THR A 35 3.014 3.577 -1.397 1.00 0.00 O ATOM 517 CG2 THR A 35 1.651 5.415 -2.168 1.00 0.00 C ATOM 0 H THR A 35 0.800 1.305 -2.116 1.00 0.00 H new ATOM 0 HA THR A 35 0.511 3.677 -0.385 1.00 0.00 H new ATOM 0 HB THR A 35 1.859 3.511 -3.110 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.778 3.988 -1.853 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.517 5.847 -2.670 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.748 5.660 -2.726 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.576 5.822 -1.160 1.00 0.00 H new ATOM 525 N TRP A 36 -1.269 4.724 -1.884 1.00 0.00 N ATOM 526 CA TRP A 36 -2.486 5.145 -2.569 1.00 0.00 C ATOM 527 C TRP A 36 -2.632 6.662 -2.536 1.00 0.00 C ATOM 528 O TRP A 36 -2.081 7.331 -1.662 1.00 0.00 O ATOM 529 CB TRP A 36 -3.710 4.488 -1.926 1.00 0.00 C ATOM 530 CG TRP A 36 -3.936 4.914 -0.507 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.639 6.004 -0.081 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.454 4.258 0.671 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.624 6.065 1.292 1.00 0.00 N ATOM 534 CE2 TRP A 36 -3.905 5.006 1.777 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.689 3.112 0.900 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.613 4.642 3.089 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.400 2.753 2.203 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.861 3.516 3.284 1.00 0.00 C ATOM 0 H TRP A 36 -0.936 5.378 -1.175 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.416 4.828 -3.610 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.595 4.729 -2.515 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.591 3.405 -1.958 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.134 6.714 -0.727 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.076 6.783 1.858 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.330 2.517 0.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.968 5.228 3.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.809 1.869 2.391 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.618 3.209 4.291 1.00 0.00 H new ATOM 549 N THR A 37 -3.379 7.201 -3.495 1.00 0.00 N ATOM 550 CA THR A 37 -3.597 8.640 -3.577 1.00 0.00 C ATOM 551 C THR A 37 -5.084 8.969 -3.624 1.00 0.00 C ATOM 552 O THR A 37 -5.820 8.447 -4.462 1.00 0.00 O ATOM 553 CB THR A 37 -2.910 9.242 -4.816 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.253 8.486 -5.983 1.00 0.00 O ATOM 555 CG2 THR A 37 -1.398 9.259 -4.643 1.00 0.00 C ATOM 0 H THR A 37 -3.843 6.662 -4.226 1.00 0.00 H new ATOM 0 HA THR A 37 -3.159 9.078 -2.680 1.00 0.00 H new ATOM 0 HB THR A 37 -3.258 10.268 -4.933 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.493 7.926 -6.245 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.935 9.689 -5.531 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.138 9.860 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.036 8.240 -4.502 1.00 0.00 H new ATOM 563 N VAL A 38 -5.522 9.839 -2.719 1.00 0.00 N ATOM 564 CA VAL A 38 -6.923 10.239 -2.659 1.00 0.00 C ATOM 565 C VAL A 38 -7.143 11.576 -3.359 1.00 0.00 C ATOM 566 O VAL A 38 -6.409 12.537 -3.129 1.00 0.00 O ATOM 567 CB VAL A 38 -7.414 10.348 -1.203 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.161 9.047 -0.456 1.00 0.00 C ATOM 569 CG2 VAL A 38 -6.739 11.516 -0.500 1.00 0.00 C ATOM 0 H VAL A 38 -4.927 10.280 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.495 9.465 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.489 10.531 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.514 9.142 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.695 8.235 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.093 8.831 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.097 11.579 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.659 11.366 -0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.976 12.442 -1.024 1.00 0.00 H new ATOM 579 N ASP A 39 -8.158 11.630 -4.214 1.00 0.00 N ATOM 580 CA ASP A 39 -8.477 12.850 -4.947 1.00 0.00 C ATOM 581 C ASP A 39 -8.807 13.989 -3.988 1.00 0.00 C ATOM 582 O ASP A 39 -8.206 15.062 -4.053 1.00 0.00 O ATOM 583 CB ASP A 39 -9.652 12.608 -5.896 1.00 0.00 C ATOM 584 CG ASP A 39 -9.711 13.628 -7.016 1.00 0.00 C ATOM 585 OD1 ASP A 39 -8.996 13.445 -8.023 1.00 0.00 O ATOM 586 OD2 ASP A 39 -10.472 14.610 -6.884 1.00 0.00 O ATOM 0 H ASP A 39 -8.774 10.843 -4.417 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.601 13.133 -5.531 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.571 11.608 -6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.584 12.639 -5.331 1.00 0.00 H new ATOM 591 N ARG A 40 -9.767 13.749 -3.100 1.00 0.00 N ATOM 592 CA ARG A 40 -10.178 14.756 -2.130 1.00 0.00 C ATOM 593 C ARG A 40 -10.038 14.228 -0.705 1.00 0.00 C ATOM 594 O ARG A 40 -11.017 13.801 -0.093 1.00 0.00 O ATOM 595 CB ARG A 40 -11.625 15.182 -2.387 1.00 0.00 C ATOM 596 CG ARG A 40 -11.847 15.783 -3.765 1.00 0.00 C ATOM 597 CD ARG A 40 -13.235 16.391 -3.891 1.00 0.00 C ATOM 598 NE ARG A 40 -13.336 17.296 -5.033 1.00 0.00 N ATOM 599 CZ ARG A 40 -14.287 18.214 -5.162 1.00 0.00 C ATOM 600 NH1 ARG A 40 -15.214 18.349 -4.224 1.00 0.00 N ATOM 601 NH2 ARG A 40 -14.311 19.000 -6.230 1.00 0.00 N ATOM 0 H ARG A 40 -10.274 12.866 -3.033 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.525 15.622 -2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.276 14.316 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.921 15.909 -1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.095 16.549 -3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.716 15.012 -4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.972 15.594 -3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.477 16.933 -2.977 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.638 17.219 -5.772 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.198 17.747 -3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.943 19.055 -4.326 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.599 18.900 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.042 19.705 -6.328 1.00 0.00 H new ATOM 615 N GLN A 41 -8.815 14.260 -0.185 1.00 0.00 N ATOM 616 CA GLN A 41 -8.548 13.783 1.166 1.00 0.00 C ATOM 617 C GLN A 41 -9.649 14.221 2.126 1.00 0.00 C ATOM 618 O GLN A 41 -9.787 15.400 2.455 1.00 0.00 O ATOM 619 CB GLN A 41 -7.194 14.301 1.654 1.00 0.00 C ATOM 620 CG GLN A 41 -6.635 13.525 2.836 1.00 0.00 C ATOM 621 CD GLN A 41 -5.313 14.082 3.327 1.00 0.00 C ATOM 622 OE1 GLN A 41 -4.678 14.891 2.651 1.00 0.00 O ATOM 623 NE2 GLN A 41 -4.892 13.650 4.510 1.00 0.00 N ATOM 0 H GLN A 41 -7.994 14.611 -0.679 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.525 12.694 1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.480 14.258 0.831 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.295 15.350 1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.358 13.542 3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.502 12.482 2.550 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.451 12.979 5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.009 13.990 4.892 1.00 0.00 H new ATOM 632 N PRO A 42 -10.453 13.252 2.587 1.00 0.00 N ATOM 633 CA PRO A 42 -11.556 13.514 3.516 1.00 0.00 C ATOM 634 C PRO A 42 -11.064 13.901 4.907 1.00 0.00 C ATOM 635 O PRO A 42 -10.246 13.201 5.502 1.00 0.00 O ATOM 636 CB PRO A 42 -12.302 12.178 3.567 1.00 0.00 C ATOM 637 CG PRO A 42 -11.276 11.157 3.213 1.00 0.00 C ATOM 638 CD PRO A 42 -10.347 11.825 2.238 1.00 0.00 C ATOM 0 HA PRO A 42 -12.173 14.351 3.189 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.718 11.994 4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.135 12.163 2.864 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.737 10.822 4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.739 10.276 2.770 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.325 11.461 2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.647 11.640 1.206 1.00 0.00 H new ATOM 646 N GLN A 43 -11.568 15.020 5.417 1.00 0.00 N ATOM 647 CA GLN A 43 -11.178 15.500 6.738 1.00 0.00 C ATOM 648 C GLN A 43 -11.917 14.738 7.834 1.00 0.00 C ATOM 649 O GLN A 43 -11.309 14.271 8.797 1.00 0.00 O ATOM 650 CB GLN A 43 -11.460 16.998 6.863 1.00 0.00 C ATOM 651 CG GLN A 43 -10.842 17.632 8.098 1.00 0.00 C ATOM 652 CD GLN A 43 -9.436 18.144 7.850 1.00 0.00 C ATOM 653 OE1 GLN A 43 -8.467 17.626 8.405 1.00 0.00 O ATOM 654 NE2 GLN A 43 -9.318 19.167 7.012 1.00 0.00 N ATOM 0 H GLN A 43 -12.247 15.611 4.936 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.109 15.328 6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.081 17.506 5.976 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.538 17.156 6.885 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.471 18.457 8.432 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.821 16.900 8.906 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.148 19.566 6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.397 19.554 6.806 1.00 0.00 H new ATOM 663 N PHE A 44 -13.231 14.617 7.680 1.00 0.00 N ATOM 664 CA PHE A 44 -14.054 13.913 8.658 1.00 0.00 C ATOM 665 C PHE A 44 -13.472 12.537 8.967 1.00 0.00 C ATOM 666 O PHE A 44 -13.443 12.108 10.121 1.00 0.00 O ATOM 667 CB PHE A 44 -15.487 13.770 8.141 1.00 0.00 C ATOM 668 CG PHE A 44 -15.646 12.691 7.108 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.079 12.828 5.851 1.00 0.00 C ATOM 670 CD2 PHE A 44 -16.363 11.540 7.394 1.00 0.00 C ATOM 671 CE1 PHE A 44 -15.226 11.837 4.899 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.513 10.546 6.445 1.00 0.00 C ATOM 673 CZ PHE A 44 -15.942 10.695 5.196 1.00 0.00 C ATOM 0 H PHE A 44 -13.749 14.997 6.888 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.064 14.498 9.577 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.149 13.558 8.981 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -15.808 14.720 7.715 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -14.516 13.719 5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.810 11.418 8.370 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.781 11.956 3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.076 9.655 6.680 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.056 9.919 4.453 1.00 0.00 H new ATOM 683 N ILE A 45 -13.011 11.849 7.928 1.00 0.00 N ATOM 684 CA ILE A 45 -12.430 10.522 8.088 1.00 0.00 C ATOM 685 C ILE A 45 -11.547 10.454 9.329 1.00 0.00 C ATOM 686 O ILE A 45 -11.091 11.480 9.834 1.00 0.00 O ATOM 687 CB ILE A 45 -11.597 10.119 6.856 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.418 8.601 6.808 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.245 10.817 6.880 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.677 8.118 5.582 1.00 0.00 C ATOM 0 H ILE A 45 -13.029 12.189 6.966 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.261 9.825 8.198 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.130 10.431 5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.879 8.279 7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.399 8.127 6.840 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.668 10.522 6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.393 11.897 6.871 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.705 10.532 7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.587 7.032 5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.226 8.409 4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.683 8.564 5.559 1.00 0.00 H new ATOM 702 N GLN A 46 -11.308 9.240 9.813 1.00 0.00 N ATOM 703 CA GLN A 46 -10.478 9.039 10.995 1.00 0.00 C ATOM 704 C GLN A 46 -9.111 8.481 10.612 1.00 0.00 C ATOM 705 O GLN A 46 -8.084 8.923 11.124 1.00 0.00 O ATOM 706 CB GLN A 46 -11.171 8.092 11.976 1.00 0.00 C ATOM 707 CG GLN A 46 -12.056 8.804 12.987 1.00 0.00 C ATOM 708 CD GLN A 46 -11.261 9.451 14.104 1.00 0.00 C ATOM 709 OE1 GLN A 46 -10.409 8.815 14.725 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.536 10.723 14.367 1.00 0.00 N ATOM 0 H GLN A 46 -11.677 8.381 9.405 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.334 10.007 11.475 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.775 7.379 11.415 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.414 7.517 12.509 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.644 9.566 12.476 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.761 8.090 13.414 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.250 11.212 13.828 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.033 11.211 15.108 1.00 0.00 H new ATOM 719 N GLY A 47 -9.107 7.507 9.707 1.00 0.00 N ATOM 720 CA GLY A 47 -7.861 6.905 9.271 1.00 0.00 C ATOM 721 C GLY A 47 -8.016 6.121 7.982 1.00 0.00 C ATOM 722 O GLY A 47 -8.535 6.638 6.992 1.00 0.00 O ATOM 0 H GLY A 47 -9.944 7.124 9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.113 7.686 9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.488 6.243 10.053 1.00 0.00 H new ATOM 726 N TYR A 48 -7.563 4.873 7.993 1.00 0.00 N ATOM 727 CA TYR A 48 -7.649 4.018 6.815 1.00 0.00 C ATOM 728 C TYR A 48 -7.520 2.547 7.199 1.00 0.00 C ATOM 729 O TYR A 48 -6.734 2.189 8.076 1.00 0.00 O ATOM 730 CB TYR A 48 -6.561 4.391 5.807 1.00 0.00 C ATOM 731 CG TYR A 48 -6.806 5.711 5.112 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.705 5.807 4.057 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.138 6.863 5.509 1.00 0.00 C ATOM 734 CE1 TYR A 48 -7.932 7.010 3.418 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.360 8.071 4.878 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.257 8.140 3.833 1.00 0.00 C ATOM 737 OH TYR A 48 -7.480 9.341 3.200 1.00 0.00 O ATOM 0 H TYR A 48 -7.132 4.430 8.805 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.626 4.171 6.357 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.601 4.433 6.321 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.487 3.603 5.057 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.236 4.925 3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.433 6.813 6.325 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.633 7.066 2.599 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.834 8.957 5.201 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.927 10.036 3.614 1.00 0.00 H new ATOM 747 N ARG A 49 -8.298 1.699 6.534 1.00 0.00 N ATOM 748 CA ARG A 49 -8.272 0.266 6.804 1.00 0.00 C ATOM 749 C ARG A 49 -7.621 -0.493 5.652 1.00 0.00 C ATOM 750 O ARG A 49 -8.166 -0.558 4.550 1.00 0.00 O ATOM 751 CB ARG A 49 -9.691 -0.256 7.036 1.00 0.00 C ATOM 752 CG ARG A 49 -9.739 -1.575 7.789 1.00 0.00 C ATOM 753 CD ARG A 49 -11.154 -2.131 7.851 1.00 0.00 C ATOM 754 NE ARG A 49 -11.367 -2.955 9.037 1.00 0.00 N ATOM 755 CZ ARG A 49 -11.568 -2.457 10.252 1.00 0.00 C ATOM 756 NH1 ARG A 49 -11.583 -1.145 10.440 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.754 -3.272 11.282 1.00 0.00 N ATOM 0 H ARG A 49 -8.954 1.979 5.805 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.680 0.102 7.704 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.257 0.491 7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.186 -0.379 6.073 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.084 -2.297 7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.359 -1.432 8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.868 -1.307 7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.350 -2.724 6.958 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.361 -3.969 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.440 -0.515 9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.738 -0.765 11.374 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.743 -4.282 11.142 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.908 -2.888 12.214 1.00 0.00 H new ATOM 771 N VAL A 50 -6.450 -1.066 5.914 1.00 0.00 N ATOM 772 CA VAL A 50 -5.724 -1.821 4.900 1.00 0.00 C ATOM 773 C VAL A 50 -5.907 -3.321 5.097 1.00 0.00 C ATOM 774 O VAL A 50 -5.095 -3.975 5.751 1.00 0.00 O ATOM 775 CB VAL A 50 -4.220 -1.490 4.924 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.486 -2.265 3.841 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.001 0.006 4.762 1.00 0.00 C ATOM 0 H VAL A 50 -5.984 -1.021 6.820 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.136 -1.532 3.933 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.815 -1.790 5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.425 -2.018 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.615 -3.334 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.891 -1.998 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.933 0.222 4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.420 0.334 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.493 0.536 5.578 1.00 0.00 H new ATOM 787 N MET A 51 -6.979 -3.861 4.525 1.00 0.00 N ATOM 788 CA MET A 51 -7.267 -5.286 4.636 1.00 0.00 C ATOM 789 C MET A 51 -6.404 -6.093 3.671 1.00 0.00 C ATOM 790 O MET A 51 -6.124 -5.651 2.557 1.00 0.00 O ATOM 791 CB MET A 51 -8.748 -5.552 4.358 1.00 0.00 C ATOM 792 CG MET A 51 -9.655 -5.225 5.533 1.00 0.00 C ATOM 793 SD MET A 51 -11.378 -5.657 5.222 1.00 0.00 S ATOM 794 CE MET A 51 -11.188 -7.247 4.418 1.00 0.00 C ATOM 0 H MET A 51 -7.662 -3.334 3.981 1.00 0.00 H new ATOM 0 HA MET A 51 -7.033 -5.600 5.653 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.059 -4.963 3.495 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.877 -6.601 4.091 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.305 -5.758 6.417 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.586 -4.160 5.755 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.073 -7.856 4.603 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.066 -7.100 3.345 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.309 -7.754 4.817 1.00 0.00 H new ATOM 804 N TYR A 52 -5.985 -7.276 4.106 1.00 0.00 N ATOM 805 CA TYR A 52 -5.152 -8.142 3.282 1.00 0.00 C ATOM 806 C TYR A 52 -5.337 -9.606 3.669 1.00 0.00 C ATOM 807 O TYR A 52 -5.752 -9.917 4.786 1.00 0.00 O ATOM 808 CB TYR A 52 -3.680 -7.749 3.418 1.00 0.00 C ATOM 809 CG TYR A 52 -3.147 -7.878 4.827 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.624 -7.067 5.849 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.166 -8.812 5.137 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.140 -7.181 7.137 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.676 -8.934 6.423 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.166 -8.116 7.419 1.00 0.00 C ATOM 815 OH TYR A 52 -1.681 -8.234 8.702 1.00 0.00 O ATOM 0 H TYR A 52 -6.209 -7.657 5.025 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.460 -8.018 2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.083 -8.374 2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.555 -6.719 3.084 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.387 -6.334 5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.780 -9.454 4.359 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.522 -6.542 7.919 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.914 -9.666 6.647 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.898 -9.123 9.053 1.00 0.00 H new ATOM 825 N ARG A 53 -5.025 -10.502 2.738 1.00 0.00 N ATOM 826 CA ARG A 53 -5.157 -11.933 2.980 1.00 0.00 C ATOM 827 C ARG A 53 -4.386 -12.735 1.936 1.00 0.00 C ATOM 828 O ARG A 53 -4.046 -12.220 0.872 1.00 0.00 O ATOM 829 CB ARG A 53 -6.631 -12.341 2.965 1.00 0.00 C ATOM 830 CG ARG A 53 -7.243 -12.362 1.574 1.00 0.00 C ATOM 831 CD ARG A 53 -8.369 -13.379 1.475 1.00 0.00 C ATOM 832 NE ARG A 53 -8.788 -13.600 0.094 1.00 0.00 N ATOM 833 CZ ARG A 53 -9.626 -14.563 -0.275 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.133 -15.388 0.630 1.00 0.00 N ATOM 835 NH2 ARG A 53 -9.959 -14.700 -1.552 1.00 0.00 N ATOM 0 H ARG A 53 -4.679 -10.262 1.809 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.737 -12.149 3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.730 -13.331 3.411 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.197 -11.651 3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.624 -11.371 1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.473 -12.598 0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.043 -14.324 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.221 -13.035 2.061 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.417 -12.981 -0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.880 -15.285 1.613 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.776 -16.126 0.344 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.572 -14.066 -2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.602 -15.439 -1.835 1.00 0.00 H new ATOM 849 N GLN A 54 -4.113 -13.998 2.249 1.00 0.00 N ATOM 850 CA GLN A 54 -3.381 -14.869 1.338 1.00 0.00 C ATOM 851 C GLN A 54 -4.331 -15.563 0.367 1.00 0.00 C ATOM 852 O GLN A 54 -5.432 -15.969 0.741 1.00 0.00 O ATOM 853 CB GLN A 54 -2.586 -15.913 2.126 1.00 0.00 C ATOM 854 CG GLN A 54 -1.311 -16.359 1.428 1.00 0.00 C ATOM 855 CD GLN A 54 -0.448 -17.248 2.303 1.00 0.00 C ATOM 856 OE1 GLN A 54 -0.214 -16.947 3.473 1.00 0.00 O ATOM 857 NE2 GLN A 54 0.029 -18.351 1.738 1.00 0.00 N ATOM 0 H GLN A 54 -4.388 -14.440 3.126 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.689 -14.253 0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.331 -15.502 3.103 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.218 -16.783 2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.569 -16.895 0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.738 -15.481 1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.191 -18.561 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.615 -18.988 2.278 1.00 0.00 H new ATOM 866 N THR A 55 -3.898 -15.696 -0.883 1.00 0.00 N ATOM 867 CA THR A 55 -4.710 -16.339 -1.908 1.00 0.00 C ATOM 868 C THR A 55 -4.251 -17.771 -2.155 1.00 0.00 C ATOM 869 O THR A 55 -5.069 -18.677 -2.312 1.00 0.00 O ATOM 870 CB THR A 55 -4.659 -15.559 -3.236 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.302 -15.432 -3.677 1.00 0.00 O ATOM 872 CG2 THR A 55 -5.277 -14.179 -3.077 1.00 0.00 C ATOM 0 H THR A 55 -2.989 -15.367 -1.210 1.00 0.00 H new ATOM 0 HA THR A 55 -5.736 -16.348 -1.539 1.00 0.00 H new ATOM 0 HB THR A 55 -5.232 -16.112 -3.980 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.847 -14.748 -3.143 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.229 -13.647 -4.027 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.318 -14.280 -2.769 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.727 -13.619 -2.320 1.00 0.00 H new ATOM 880 N SER A 56 -2.937 -17.969 -2.187 1.00 0.00 N ATOM 881 CA SER A 56 -2.369 -19.293 -2.418 1.00 0.00 C ATOM 882 C SER A 56 -1.911 -19.924 -1.106 1.00 0.00 C ATOM 883 O SER A 56 -1.751 -19.238 -0.097 1.00 0.00 O ATOM 884 CB SER A 56 -1.193 -19.203 -3.391 1.00 0.00 C ATOM 885 OG SER A 56 -0.979 -20.440 -4.048 1.00 0.00 O ATOM 0 H SER A 56 -2.246 -17.230 -2.056 1.00 0.00 H new ATOM 0 HA SER A 56 -3.144 -19.923 -2.853 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.386 -18.424 -4.129 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.291 -18.914 -2.851 1.00 0.00 H new ATOM 0 HG SER A 56 -0.223 -20.356 -4.666 1.00 0.00 H new ATOM 891 N GLY A 57 -1.703 -21.237 -1.129 1.00 0.00 N ATOM 892 CA GLY A 57 -1.266 -21.939 0.063 1.00 0.00 C ATOM 893 C GLY A 57 -2.425 -22.376 0.936 1.00 0.00 C ATOM 894 O GLY A 57 -3.583 -22.310 0.522 1.00 0.00 O ATOM 0 H GLY A 57 -1.829 -21.827 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.684 -22.814 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.604 -21.293 0.640 1.00 0.00 H new ATOM 898 N LEU A 58 -2.115 -22.826 2.147 1.00 0.00 N ATOM 899 CA LEU A 58 -3.140 -23.278 3.081 1.00 0.00 C ATOM 900 C LEU A 58 -3.738 -22.100 3.845 1.00 0.00 C ATOM 901 O LEU A 58 -4.953 -22.013 4.017 1.00 0.00 O ATOM 902 CB LEU A 58 -2.552 -24.292 4.063 1.00 0.00 C ATOM 903 CG LEU A 58 -3.561 -25.148 4.829 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.460 -24.274 5.689 1.00 0.00 C ATOM 905 CD2 LEU A 58 -4.392 -25.984 3.865 1.00 0.00 C ATOM 0 H LEU A 58 -1.162 -22.888 2.505 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.934 -23.756 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.886 -24.956 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.939 -23.754 4.786 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.011 -25.823 5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.171 -24.901 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.852 -23.720 6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.002 -23.573 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.105 -26.587 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.931 -25.325 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.735 -26.639 3.292 1.00 0.00 H new ATOM 917 N GLN A 59 -2.875 -21.197 4.298 1.00 0.00 N ATOM 918 CA GLN A 59 -3.319 -20.024 5.042 1.00 0.00 C ATOM 919 C GLN A 59 -4.270 -19.175 4.204 1.00 0.00 C ATOM 920 O GLN A 59 -4.972 -18.312 4.729 1.00 0.00 O ATOM 921 CB GLN A 59 -2.116 -19.184 5.477 1.00 0.00 C ATOM 922 CG GLN A 59 -1.272 -19.843 6.556 1.00 0.00 C ATOM 923 CD GLN A 59 -1.759 -19.521 7.955 1.00 0.00 C ATOM 924 OE1 GLN A 59 -1.567 -18.410 8.451 1.00 0.00 O ATOM 925 NE2 GLN A 59 -2.394 -20.493 8.600 1.00 0.00 N ATOM 0 H GLN A 59 -1.866 -21.255 4.163 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.853 -20.368 5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.489 -18.985 4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.470 -18.220 5.842 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.283 -20.923 6.411 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.237 -19.518 6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.531 -21.398 8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.745 -20.334 9.545 1.00 0.00 H new ATOM 934 N ALA A 60 -4.286 -19.427 2.899 1.00 0.00 N ATOM 935 CA ALA A 60 -5.152 -18.687 1.990 1.00 0.00 C ATOM 936 C ALA A 60 -6.617 -19.043 2.215 1.00 0.00 C ATOM 937 O ALA A 60 -6.934 -19.974 2.957 1.00 0.00 O ATOM 938 CB ALA A 60 -4.756 -18.961 0.546 1.00 0.00 C ATOM 0 H ALA A 60 -3.709 -20.137 2.448 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.029 -17.623 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.411 -18.402 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.723 -18.650 0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.850 -20.027 0.339 1.00 0.00 H new ATOM 944 N THR A 61 -7.509 -18.297 1.571 1.00 0.00 N ATOM 945 CA THR A 61 -8.941 -18.532 1.703 1.00 0.00 C ATOM 946 C THR A 61 -9.297 -18.976 3.117 1.00 0.00 C ATOM 947 O THR A 61 -10.196 -19.794 3.314 1.00 0.00 O ATOM 948 CB THR A 61 -9.429 -19.599 0.704 1.00 0.00 C ATOM 949 OG1 THR A 61 -10.847 -19.766 0.821 1.00 0.00 O ATOM 950 CG2 THR A 61 -8.735 -20.929 0.951 1.00 0.00 C ATOM 0 H THR A 61 -7.264 -17.524 0.952 1.00 0.00 H new ATOM 0 HA THR A 61 -9.438 -17.587 1.486 1.00 0.00 H new ATOM 0 HB THR A 61 -9.184 -19.262 -0.303 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.083 -19.914 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.096 -21.666 0.234 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.658 -20.805 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.953 -21.271 1.963 1.00 0.00 H new ATOM 958 N SER A 62 -8.588 -18.431 4.100 1.00 0.00 N ATOM 959 CA SER A 62 -8.827 -18.773 5.497 1.00 0.00 C ATOM 960 C SER A 62 -9.602 -17.664 6.203 1.00 0.00 C ATOM 961 O SER A 62 -10.633 -17.913 6.828 1.00 0.00 O ATOM 962 CB SER A 62 -7.501 -19.022 6.218 1.00 0.00 C ATOM 963 OG SER A 62 -7.714 -19.623 7.484 1.00 0.00 O ATOM 0 H SER A 62 -7.843 -17.750 3.955 1.00 0.00 H new ATOM 0 HA SER A 62 -9.424 -19.685 5.525 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.867 -19.666 5.608 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.969 -18.079 6.344 1.00 0.00 H new ATOM 0 HG SER A 62 -6.851 -19.773 7.924 1.00 0.00 H new ATOM 969 N SER A 63 -9.098 -16.439 6.098 1.00 0.00 N ATOM 970 CA SER A 63 -9.739 -15.292 6.729 1.00 0.00 C ATOM 971 C SER A 63 -9.039 -13.994 6.337 1.00 0.00 C ATOM 972 O SER A 63 -7.821 -13.962 6.163 1.00 0.00 O ATOM 973 CB SER A 63 -9.731 -15.449 8.251 1.00 0.00 C ATOM 974 OG SER A 63 -10.798 -14.728 8.844 1.00 0.00 O ATOM 0 H SER A 63 -8.247 -16.215 5.582 1.00 0.00 H new ATOM 0 HA SER A 63 -10.771 -15.248 6.381 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.812 -16.504 8.511 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.781 -15.094 8.651 1.00 0.00 H new ATOM 0 HG SER A 63 -10.772 -14.846 9.817 1.00 0.00 H new ATOM 980 N TRP A 64 -9.818 -12.928 6.199 1.00 0.00 N ATOM 981 CA TRP A 64 -9.273 -11.627 5.827 1.00 0.00 C ATOM 982 C TRP A 64 -8.715 -10.902 7.047 1.00 0.00 C ATOM 983 O TRP A 64 -9.189 -11.096 8.166 1.00 0.00 O ATOM 984 CB TRP A 64 -10.352 -10.772 5.159 1.00 0.00 C ATOM 985 CG TRP A 64 -10.434 -10.971 3.676 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.239 -11.850 3.011 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.680 -10.277 2.675 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.032 -11.745 1.657 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.081 -10.787 1.425 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.708 -9.275 2.714 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.542 -10.327 0.226 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.173 -8.819 1.523 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.592 -9.345 0.294 1.00 0.00 C ATOM 0 H TRP A 64 -10.828 -12.938 6.339 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.459 -11.790 5.121 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.319 -11.007 5.604 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.153 -9.721 5.367 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.936 -12.528 3.480 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.509 -12.292 0.940 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.380 -8.864 3.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.862 -10.731 -0.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.420 -8.045 1.541 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.156 -8.967 -0.619 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.706 -10.066 6.823 1.00 0.00 N ATOM 1005 CA GLN A 65 -7.084 -9.313 7.905 1.00 0.00 C ATOM 1006 C GLN A 65 -7.361 -7.820 7.758 1.00 0.00 C ATOM 1007 O GLN A 65 -7.805 -7.362 6.707 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.575 -9.564 7.928 1.00 0.00 C ATOM 1009 CG GLN A 65 -5.193 -10.921 8.496 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.739 -10.988 8.920 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -2.846 -10.568 8.183 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -3.493 -11.517 10.113 1.00 0.00 N ATOM 0 H GLN A 65 -7.302 -9.893 5.902 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.516 -9.653 8.846 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.186 -9.481 6.913 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.094 -8.784 8.518 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.828 -11.144 9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.385 -11.691 7.749 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.264 -11.853 10.691 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.533 -11.588 10.451 1.00 0.00 H new ATOM 1021 N ASN A 66 -7.094 -7.067 8.821 1.00 0.00 N ATOM 1022 CA ASN A 66 -7.316 -5.625 8.810 1.00 0.00 C ATOM 1023 C ASN A 66 -6.184 -4.896 9.528 1.00 0.00 C ATOM 1024 O ASN A 66 -5.878 -5.187 10.685 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.654 -5.289 9.472 1.00 0.00 C ATOM 1026 CG ASN A 66 -9.676 -6.397 9.303 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -9.592 -7.438 9.954 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -10.649 -6.175 8.426 1.00 0.00 N ATOM 0 H ASN A 66 -6.724 -7.431 9.699 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.338 -5.293 7.772 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.495 -5.104 10.534 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.047 -4.367 9.044 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.366 -6.883 8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.679 -5.296 7.909 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.565 -3.947 8.834 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.467 -3.174 9.404 1.00 0.00 C ATOM 1037 C LEU A 67 -4.830 -1.696 9.493 1.00 0.00 C ATOM 1038 O LEU A 67 -4.670 -0.948 8.528 1.00 0.00 O ATOM 1039 CB LEU A 67 -3.202 -3.351 8.562 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.992 -2.517 8.985 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -1.240 -3.204 10.114 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -1.071 -2.273 7.799 1.00 0.00 C ATOM 0 H LEU A 67 -5.805 -3.694 7.875 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.280 -3.544 10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.919 -4.403 8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.442 -3.108 7.527 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.348 -1.552 9.347 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.382 -2.597 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.902 -3.326 10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.896 -4.182 9.779 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.216 -1.678 8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.722 -3.228 7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.614 -1.738 7.020 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.318 -1.281 10.657 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.701 0.109 10.874 1.00 0.00 C ATOM 1056 C ASP A 68 -4.468 1.001 10.989 1.00 0.00 C ATOM 1057 O ASP A 68 -3.605 0.777 11.837 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.555 0.235 12.136 1.00 0.00 C ATOM 1059 CG ASP A 68 -7.593 -0.865 12.244 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -8.069 -1.336 11.190 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -7.931 -1.253 13.382 1.00 0.00 O ATOM 0 H ASP A 68 -5.458 -1.888 11.465 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.286 0.436 10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.908 0.208 13.013 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.055 1.204 12.138 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.393 2.011 10.128 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.267 2.936 10.134 1.00 0.00 C ATOM 1068 C ALA A 69 -3.406 3.965 11.251 1.00 0.00 C ATOM 1069 O ALA A 69 -2.411 4.448 11.793 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.149 3.632 8.785 1.00 0.00 C ATOM 0 H ALA A 69 -5.098 2.209 9.418 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.359 2.362 10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.304 4.320 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.994 2.888 8.004 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.065 4.187 8.581 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.647 4.296 11.592 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.918 5.267 12.646 1.00 0.00 C ATOM 1078 C LYS A 70 -4.313 6.625 12.303 1.00 0.00 C ATOM 1079 O LYS A 70 -3.943 7.392 13.191 1.00 0.00 O ATOM 1080 CB LYS A 70 -4.359 4.770 13.981 1.00 0.00 C ATOM 1081 CG LYS A 70 -5.283 3.808 14.707 1.00 0.00 C ATOM 1082 CD LYS A 70 -5.004 2.366 14.319 1.00 0.00 C ATOM 1083 CE LYS A 70 -5.562 1.394 15.347 1.00 0.00 C ATOM 1084 NZ LYS A 70 -4.893 0.065 15.274 1.00 0.00 N ATOM 0 H LYS A 70 -5.481 3.906 11.154 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.999 5.382 12.732 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.402 4.278 13.804 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.162 5.627 14.625 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.160 3.926 15.784 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.320 4.054 14.476 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.445 2.159 13.344 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.929 2.216 14.221 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.435 1.810 16.346 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.633 1.271 15.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.570 -0.646 14.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.085 0.118 14.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.557 -0.207 16.220 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.218 6.916 11.010 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.661 8.182 10.550 1.00 0.00 C ATOM 1100 C VAL A 71 -4.234 8.575 9.193 1.00 0.00 C ATOM 1101 O VAL A 71 -3.956 7.950 8.169 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.126 8.116 10.446 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.561 9.457 10.003 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.521 7.686 11.774 1.00 0.00 C ATOM 0 H VAL A 71 -4.520 6.292 10.262 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.936 8.934 11.289 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.862 7.372 9.694 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.475 9.390 9.936 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.970 9.720 9.027 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.833 10.224 10.728 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.436 7.644 11.683 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.793 8.404 12.547 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.900 6.701 12.045 1.00 0.00 H new ATOM 1114 N PRO A 72 -5.055 9.635 9.182 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.684 10.136 7.956 1.00 0.00 C ATOM 1116 C PRO A 72 -4.678 10.781 7.009 1.00 0.00 C ATOM 1117 O PRO A 72 -4.907 10.859 5.802 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.680 11.179 8.470 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.119 11.628 9.775 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.431 10.428 10.364 1.00 0.00 C ATOM 0 HA PRO A 72 -6.144 9.335 7.377 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.776 12.012 7.773 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.674 10.750 8.593 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.418 12.451 9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.907 11.989 10.435 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.558 10.713 10.951 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.093 9.871 11.027 1.00 0.00 H new ATOM 1128 N THR A 73 -3.562 11.244 7.565 1.00 0.00 N ATOM 1129 CA THR A 73 -2.521 11.883 6.770 1.00 0.00 C ATOM 1130 C THR A 73 -1.671 10.848 6.043 1.00 0.00 C ATOM 1131 O THR A 73 -1.184 11.096 4.940 1.00 0.00 O ATOM 1132 CB THR A 73 -1.605 12.759 7.645 1.00 0.00 C ATOM 1133 OG1 THR A 73 -0.960 11.955 8.638 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.400 13.867 8.320 1.00 0.00 C ATOM 0 H THR A 73 -3.357 11.188 8.563 1.00 0.00 H new ATOM 0 HA THR A 73 -3.025 12.514 6.038 1.00 0.00 H new ATOM 0 HB THR A 73 -0.852 13.214 7.002 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.378 12.520 9.189 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.732 14.473 8.933 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.865 14.495 7.561 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.173 13.428 8.951 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.498 9.686 6.666 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.707 8.613 6.077 1.00 0.00 C ATOM 1144 C GLU A 74 -1.490 7.900 4.979 1.00 0.00 C ATOM 1145 O GLU A 74 -2.496 7.242 5.246 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.285 7.610 7.152 1.00 0.00 C ATOM 1147 CG GLU A 74 1.088 7.890 7.741 1.00 0.00 C ATOM 1148 CD GLU A 74 1.786 6.631 8.216 1.00 0.00 C ATOM 1149 OE1 GLU A 74 1.816 5.644 7.450 1.00 0.00 O ATOM 1150 OE2 GLU A 74 2.303 6.631 9.352 1.00 0.00 O ATOM 0 H GLU A 74 -1.896 9.464 7.579 1.00 0.00 H new ATOM 0 HA GLU A 74 0.185 9.055 5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.023 7.618 7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.290 6.608 6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.707 8.384 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.986 8.582 8.577 1.00 0.00 H new ATOM 1157 N ARG A 75 -1.021 8.035 3.742 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.678 7.405 2.603 1.00 0.00 C ATOM 1159 C ARG A 75 -0.911 6.166 2.150 1.00 0.00 C ATOM 1160 O ARG A 75 -0.847 5.864 0.958 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.798 8.396 1.444 1.00 0.00 C ATOM 1162 CG ARG A 75 -3.083 9.207 1.467 1.00 0.00 C ATOM 1163 CD ARG A 75 -2.924 10.480 2.283 1.00 0.00 C ATOM 1164 NE ARG A 75 -2.067 11.455 1.615 1.00 0.00 N ATOM 1165 CZ ARG A 75 -2.501 12.300 0.687 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -3.774 12.289 0.318 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -1.660 13.159 0.124 1.00 0.00 N ATOM 0 H ARG A 75 -0.189 8.575 3.504 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.677 7.099 2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.948 9.077 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.740 7.850 0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.372 9.461 0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.888 8.603 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.905 10.921 2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.503 10.235 3.258 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.081 11.489 1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.424 11.630 0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.104 12.939 -0.395 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.679 13.170 0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.995 13.808 -0.589 1.00 0.00 H new ATOM 1181 N SER A 76 -0.329 5.453 3.109 1.00 0.00 N ATOM 1182 CA SER A 76 0.438 4.249 2.809 1.00 0.00 C ATOM 1183 C SER A 76 0.588 3.376 4.051 1.00 0.00 C ATOM 1184 O SER A 76 0.558 3.870 5.178 1.00 0.00 O ATOM 1185 CB SER A 76 1.818 4.621 2.264 1.00 0.00 C ATOM 1186 OG SER A 76 2.555 3.464 1.909 1.00 0.00 O ATOM 0 H SER A 76 -0.374 5.688 4.101 1.00 0.00 H new ATOM 0 HA SER A 76 -0.104 3.683 2.052 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.706 5.266 1.393 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.367 5.190 3.014 1.00 0.00 H new ATOM 0 HG SER A 76 2.060 2.955 1.233 1.00 0.00 H new ATOM 1192 N ALA A 77 0.749 2.075 3.836 1.00 0.00 N ATOM 1193 CA ALA A 77 0.905 1.132 4.936 1.00 0.00 C ATOM 1194 C ALA A 77 1.987 0.103 4.628 1.00 0.00 C ATOM 1195 O ALA A 77 2.383 -0.071 3.475 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.417 0.439 5.230 1.00 0.00 C ATOM 0 H ALA A 77 0.775 1.650 2.909 1.00 0.00 H new ATOM 0 HA ALA A 77 1.213 1.691 5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.285 -0.262 6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.165 1.183 5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.750 -0.101 4.344 1.00 0.00 H new ATOM 1202 N VAL A 78 2.463 -0.578 5.666 1.00 0.00 N ATOM 1203 CA VAL A 78 3.499 -1.591 5.506 1.00 0.00 C ATOM 1204 C VAL A 78 3.093 -2.903 6.167 1.00 0.00 C ATOM 1205 O VAL A 78 3.139 -3.035 7.391 1.00 0.00 O ATOM 1206 CB VAL A 78 4.839 -1.122 6.102 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.903 -2.196 5.936 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.282 0.183 5.457 1.00 0.00 C ATOM 0 H VAL A 78 2.147 -0.446 6.627 1.00 0.00 H new ATOM 0 HA VAL A 78 3.622 -1.751 4.435 1.00 0.00 H new ATOM 0 HB VAL A 78 4.699 -0.945 7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.843 -1.846 6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.587 -3.104 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.043 -2.409 4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.231 0.499 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.405 0.035 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.528 0.950 5.634 1.00 0.00 H new ATOM 1218 N LEU A 79 2.695 -3.872 5.351 1.00 0.00 N ATOM 1219 CA LEU A 79 2.280 -5.176 5.856 1.00 0.00 C ATOM 1220 C LEU A 79 3.488 -6.073 6.105 1.00 0.00 C ATOM 1221 O LEU A 79 4.201 -6.445 5.173 1.00 0.00 O ATOM 1222 CB LEU A 79 1.326 -5.849 4.867 1.00 0.00 C ATOM 1223 CG LEU A 79 0.093 -5.038 4.467 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.450 -5.518 3.130 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.978 -5.131 5.544 1.00 0.00 C ATOM 0 H LEU A 79 2.651 -3.780 4.336 1.00 0.00 H new ATOM 0 HA LEU A 79 1.763 -5.023 6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.884 -6.093 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.991 -6.792 5.300 1.00 0.00 H new ATOM 0 HG LEU A 79 0.386 -3.993 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.327 -4.930 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.315 -5.400 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.728 -6.569 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.848 -4.548 5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.268 -6.173 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.586 -4.739 6.482 1.00 0.00 H new ATOM 1237 N VAL A 80 3.711 -6.420 7.369 1.00 0.00 N ATOM 1238 CA VAL A 80 4.830 -7.276 7.741 1.00 0.00 C ATOM 1239 C VAL A 80 4.369 -8.708 7.987 1.00 0.00 C ATOM 1240 O VAL A 80 3.202 -9.040 7.780 1.00 0.00 O ATOM 1241 CB VAL A 80 5.542 -6.754 9.003 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.232 -5.429 8.717 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.554 -6.613 10.151 1.00 0.00 C ATOM 0 H VAL A 80 3.131 -6.121 8.153 1.00 0.00 H new ATOM 0 HA VAL A 80 5.530 -7.261 6.906 1.00 0.00 H new ATOM 0 HB VAL A 80 6.303 -7.477 9.295 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.730 -5.076 9.620 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.970 -5.566 7.926 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.492 -4.694 8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.074 -6.243 11.035 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.769 -5.911 9.871 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.111 -7.584 10.371 1.00 0.00 H new ATOM 1253 N ASN A 81 5.293 -9.554 8.431 1.00 0.00 N ATOM 1254 CA ASN A 81 4.981 -10.952 8.706 1.00 0.00 C ATOM 1255 C ASN A 81 4.181 -11.566 7.561 1.00 0.00 C ATOM 1256 O ASN A 81 3.128 -12.166 7.777 1.00 0.00 O ATOM 1257 CB ASN A 81 4.196 -11.073 10.014 1.00 0.00 C ATOM 1258 CG ASN A 81 2.897 -10.291 9.983 1.00 0.00 C ATOM 1259 OD1 ASN A 81 2.006 -10.578 9.184 1.00 0.00 O ATOM 1260 ND2 ASN A 81 2.784 -9.297 10.856 1.00 0.00 N ATOM 0 H ASN A 81 6.264 -9.296 8.608 1.00 0.00 H new ATOM 0 HA ASN A 81 5.920 -11.496 8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.980 -12.123 10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.812 -10.716 10.839 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.933 -8.736 10.883 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.549 -9.095 11.500 1.00 0.00 H new ATOM 1267 N LEU A 82 4.689 -11.413 6.343 1.00 0.00 N ATOM 1268 CA LEU A 82 4.024 -11.953 5.163 1.00 0.00 C ATOM 1269 C LEU A 82 4.712 -13.226 4.684 1.00 0.00 C ATOM 1270 O LEU A 82 5.914 -13.408 4.883 1.00 0.00 O ATOM 1271 CB LEU A 82 4.011 -10.913 4.040 1.00 0.00 C ATOM 1272 CG LEU A 82 3.315 -9.589 4.359 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.439 -8.626 3.189 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.852 -9.825 4.706 1.00 0.00 C ATOM 0 H LEU A 82 5.560 -10.919 6.147 1.00 0.00 H new ATOM 0 HA LEU A 82 2.997 -12.198 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.042 -10.700 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.527 -11.354 3.169 1.00 0.00 H new ATOM 0 HG LEU A 82 3.805 -9.142 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.938 -7.689 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.493 -8.432 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.976 -9.065 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.373 -8.872 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.349 -10.294 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.785 -10.478 5.576 1.00 0.00 H new ATOM 1286 N LYS A 83 3.944 -14.105 4.049 1.00 0.00 N ATOM 1287 CA LYS A 83 4.480 -15.361 3.538 1.00 0.00 C ATOM 1288 C LYS A 83 5.332 -15.124 2.295 1.00 0.00 C ATOM 1289 O LYS A 83 5.073 -14.205 1.518 1.00 0.00 O ATOM 1290 CB LYS A 83 3.341 -16.330 3.211 1.00 0.00 C ATOM 1291 CG LYS A 83 3.720 -17.792 3.374 1.00 0.00 C ATOM 1292 CD LYS A 83 4.267 -18.374 2.082 1.00 0.00 C ATOM 1293 CE LYS A 83 4.962 -19.705 2.321 1.00 0.00 C ATOM 1294 NZ LYS A 83 4.004 -20.764 2.743 1.00 0.00 N ATOM 0 H LYS A 83 2.948 -13.970 3.876 1.00 0.00 H new ATOM 0 HA LYS A 83 5.111 -15.799 4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.491 -16.110 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.014 -16.160 2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.466 -17.890 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.846 -18.362 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.453 -18.510 1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.969 -17.671 1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.470 -20.018 1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.728 -19.582 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.517 -21.656 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.537 -20.477 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.288 -20.900 2.001 1.00 0.00 H new ATOM 1308 N LYS A 84 6.349 -15.959 2.113 1.00 0.00 N ATOM 1309 CA LYS A 84 7.238 -15.842 0.963 1.00 0.00 C ATOM 1310 C LYS A 84 6.805 -16.782 -0.158 1.00 0.00 C ATOM 1311 O LYS A 84 6.614 -17.977 0.061 1.00 0.00 O ATOM 1312 CB LYS A 84 8.680 -16.151 1.373 1.00 0.00 C ATOM 1313 CG LYS A 84 9.068 -15.564 2.720 1.00 0.00 C ATOM 1314 CD LYS A 84 10.213 -16.335 3.355 1.00 0.00 C ATOM 1315 CE LYS A 84 11.053 -15.443 4.256 1.00 0.00 C ATOM 1316 NZ LYS A 84 12.148 -14.770 3.504 1.00 0.00 N ATOM 0 H LYS A 84 6.578 -16.724 2.747 1.00 0.00 H new ATOM 0 HA LYS A 84 7.183 -14.817 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.816 -17.232 1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.356 -15.766 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.357 -14.521 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.205 -15.578 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.815 -17.168 3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.843 -16.762 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.415 -14.691 4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.479 -16.040 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.567 -14.024 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.879 -15.467 3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.764 -14.348 2.635 1.00 0.00 H new ATOM 1330 N GLY A 85 6.654 -16.233 -1.359 1.00 0.00 N ATOM 1331 CA GLY A 85 6.246 -17.038 -2.496 1.00 0.00 C ATOM 1332 C GLY A 85 4.747 -17.260 -2.541 1.00 0.00 C ATOM 1333 O GLY A 85 4.278 -18.396 -2.469 1.00 0.00 O ATOM 0 H GLY A 85 6.807 -15.246 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.566 -16.550 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.752 -18.003 -2.455 1.00 0.00 H new ATOM 1337 N VAL A 86 3.993 -16.172 -2.660 1.00 0.00 N ATOM 1338 CA VAL A 86 2.538 -16.253 -2.714 1.00 0.00 C ATOM 1339 C VAL A 86 1.922 -14.888 -2.999 1.00 0.00 C ATOM 1340 O VAL A 86 2.457 -13.855 -2.596 1.00 0.00 O ATOM 1341 CB VAL A 86 1.957 -16.801 -1.397 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.370 -15.923 -0.225 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.442 -16.906 -1.486 1.00 0.00 C ATOM 0 H VAL A 86 4.365 -15.224 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 86 2.289 -16.937 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 86 2.359 -17.801 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.950 -16.326 0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.457 -15.903 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.999 -14.910 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.048 -17.295 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.019 -15.919 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.171 -17.579 -2.299 1.00 0.00 H new ATOM 1353 N THR A 87 0.791 -14.890 -3.699 1.00 0.00 N ATOM 1354 CA THR A 87 0.101 -13.652 -4.040 1.00 0.00 C ATOM 1355 C THR A 87 -0.828 -13.212 -2.914 1.00 0.00 C ATOM 1356 O THR A 87 -1.548 -14.027 -2.336 1.00 0.00 O ATOM 1357 CB THR A 87 -0.717 -13.804 -5.336 1.00 0.00 C ATOM 1358 OG1 THR A 87 -0.004 -14.618 -6.273 1.00 0.00 O ATOM 1359 CG2 THR A 87 -1.007 -12.445 -5.955 1.00 0.00 C ATOM 0 H THR A 87 0.334 -15.735 -4.041 1.00 0.00 H new ATOM 0 HA THR A 87 0.869 -12.893 -4.191 1.00 0.00 H new ATOM 0 HB THR A 87 -1.664 -14.282 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.532 -14.711 -7.093 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.586 -12.578 -6.869 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.576 -11.838 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.068 -11.944 -6.190 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.807 -11.920 -2.608 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.647 -11.372 -1.549 1.00 0.00 C ATOM 1369 C TYR A 88 -2.573 -10.288 -2.094 1.00 0.00 C ATOM 1370 O TYR A 88 -2.133 -9.373 -2.789 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.781 -10.801 -0.426 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.346 -11.834 0.589 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.159 -12.162 1.667 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.878 -12.481 0.471 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -0.766 -13.105 2.597 1.00 0.00 C ATOM 1376 CE2 TYR A 88 1.278 -13.426 1.395 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.453 -13.735 2.457 1.00 0.00 C ATOM 1378 OH TYR A 88 0.849 -14.674 3.380 1.00 0.00 O ATOM 0 H TYR A 88 -0.218 -11.232 -3.078 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.259 -12.181 -1.151 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.104 -10.337 -0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.336 -10.014 0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.114 -11.671 1.780 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.528 -12.241 -0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.410 -13.348 3.429 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.232 -13.921 1.287 1.00 0.00 H new ATOM 0 HH TYR A 88 0.119 -15.310 3.533 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.858 -10.400 -1.772 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.846 -9.430 -2.229 1.00 0.00 C ATOM 1390 C GLU A 89 -5.096 -8.365 -1.165 1.00 0.00 C ATOM 1391 O GLU A 89 -5.582 -8.665 -0.074 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.159 -10.133 -2.580 1.00 0.00 C ATOM 1393 CG GLU A 89 -7.099 -9.284 -3.419 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.137 -10.112 -4.151 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -9.165 -10.457 -3.532 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -7.921 -10.415 -5.343 1.00 0.00 O ATOM 0 H GLU A 89 -4.239 -11.152 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.453 -8.943 -3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.936 -11.053 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.666 -10.419 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.603 -8.563 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.518 -8.713 -4.144 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.760 -7.122 -1.490 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.948 -6.013 -0.563 1.00 0.00 C ATOM 1405 C ILE A 90 -5.753 -4.889 -1.207 1.00 0.00 C ATOM 1406 O ILE A 90 -5.650 -4.645 -2.409 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.599 -5.449 -0.078 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.739 -6.566 0.517 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.823 -4.344 0.943 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.849 -7.250 -0.498 1.00 0.00 C ATOM 0 H ILE A 90 -4.356 -6.857 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.497 -6.407 0.292 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.071 -5.025 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.118 -6.152 1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.390 -7.309 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.860 -3.956 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.401 -3.540 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.368 -4.744 1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.268 -8.030 -0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.464 -7.694 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.172 -6.519 -0.940 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.555 -4.205 -0.398 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.377 -3.104 -0.886 1.00 0.00 C ATOM 1424 C LYS A 91 -7.468 -1.991 0.153 1.00 0.00 C ATOM 1425 O LYS A 91 -7.573 -2.253 1.351 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.781 -3.605 -1.236 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.682 -3.784 -0.027 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.385 -5.083 0.702 1.00 0.00 C ATOM 1429 CE LYS A 91 -9.921 -6.286 -0.059 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.408 -6.276 -0.136 1.00 0.00 N ATOM 0 H LYS A 91 -6.653 -4.394 0.600 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.906 -2.702 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.247 -2.901 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.698 -4.557 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.548 -2.944 0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.725 -3.774 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.308 -5.187 0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.830 -5.053 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.505 -6.293 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.589 -7.202 0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.751 -7.235 -0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.801 -5.958 0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.712 -5.627 -0.890 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.428 -0.747 -0.314 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.509 0.406 0.574 1.00 0.00 C ATOM 1446 C VAL A 92 -8.885 1.058 0.506 1.00 0.00 C ATOM 1447 O VAL A 92 -9.506 1.111 -0.556 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.437 1.457 0.228 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.508 2.630 1.194 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.052 0.829 0.241 1.00 0.00 C ATOM 0 H VAL A 92 -7.340 -0.512 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.335 0.039 1.585 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.632 1.832 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.743 3.362 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.492 3.095 1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.339 2.275 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.307 1.586 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.845 0.425 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.010 0.025 -0.494 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.356 1.554 1.645 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.661 2.202 1.715 1.00 0.00 C ATOM 1462 C ARG A 93 -10.748 3.117 2.932 1.00 0.00 C ATOM 1463 O ARG A 93 -10.389 2.743 4.049 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.773 1.153 1.771 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.904 0.476 3.126 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.646 -0.847 3.018 1.00 0.00 C ATOM 1467 NE ARG A 93 -13.992 -0.676 2.476 1.00 0.00 N ATOM 1468 CZ ARG A 93 -14.669 -1.647 1.872 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -14.129 -2.850 1.735 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -15.889 -1.414 1.405 1.00 0.00 N ATOM 0 H ARG A 93 -8.854 1.520 2.532 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.787 2.807 0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.721 1.627 1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.584 0.394 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.913 0.305 3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -12.433 1.136 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.082 -1.528 2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.708 -1.310 4.003 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.436 0.238 2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.192 -3.032 2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.651 -3.593 1.271 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -16.307 -0.490 1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -16.409 -2.159 0.941 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.237 4.348 2.714 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.383 5.342 3.780 1.00 0.00 C ATOM 1486 C PRO A 94 -12.484 4.974 4.769 1.00 0.00 C ATOM 1487 O PRO A 94 -13.647 4.829 4.392 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.749 6.622 3.025 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.379 6.148 1.760 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.684 4.862 1.408 1.00 0.00 C ATOM 0 HA PRO A 94 -10.478 5.430 4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.437 7.240 3.603 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.867 7.230 2.824 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.449 5.990 1.893 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.262 6.885 0.966 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.358 4.164 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.844 5.030 0.734 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.110 4.825 6.035 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.066 4.472 7.078 1.00 0.00 C ATOM 1500 C TYR A 95 -13.039 5.494 8.210 1.00 0.00 C ATOM 1501 O TYR A 95 -12.003 6.093 8.498 1.00 0.00 O ATOM 1502 CB TYR A 95 -12.761 3.077 7.627 1.00 0.00 C ATOM 1503 CG TYR A 95 -11.786 3.082 8.783 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.199 3.427 10.064 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -10.452 2.742 8.594 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.312 3.433 11.123 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -9.559 2.743 9.647 1.00 0.00 C ATOM 1508 CZ TYR A 95 -9.993 3.090 10.910 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.105 3.095 11.961 1.00 0.00 O ATOM 0 H TYR A 95 -11.152 4.943 6.364 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.063 4.472 6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -13.692 2.611 7.950 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.357 2.460 6.824 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.231 3.695 10.235 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.108 2.472 7.606 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.649 3.705 12.112 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.526 2.474 9.483 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.581 2.886 12.792 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.188 5.688 8.851 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.298 6.637 9.952 1.00 0.00 C ATOM 1521 C PHE A 96 -14.299 5.914 11.295 1.00 0.00 C ATOM 1522 O PHE A 96 -13.348 6.018 12.069 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.572 7.472 9.808 1.00 0.00 C ATOM 1524 CG PHE A 96 -15.602 8.679 10.701 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.650 8.538 12.078 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -15.582 9.956 10.162 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.678 9.648 12.901 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -15.609 11.069 10.980 1.00 0.00 C ATOM 1529 CZ PHE A 96 -15.656 10.915 12.352 1.00 0.00 C ATOM 0 H PHE A 96 -15.055 5.200 8.626 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.432 7.299 9.916 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.670 7.794 8.771 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.435 6.844 10.030 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -15.666 7.550 12.513 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -15.545 10.082 9.090 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -15.717 9.525 13.973 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -15.593 12.058 10.547 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.675 11.783 12.994 1.00 0.00 H new ATOM 1539 N ASN A 97 -15.375 5.182 11.566 1.00 0.00 N ATOM 1540 CA ASN A 97 -15.501 4.442 12.816 1.00 0.00 C ATOM 1541 C ASN A 97 -15.826 2.975 12.550 1.00 0.00 C ATOM 1542 O ASN A 97 -14.984 2.099 12.740 1.00 0.00 O ATOM 1543 CB ASN A 97 -16.588 5.066 13.694 1.00 0.00 C ATOM 1544 CG ASN A 97 -16.281 4.935 15.174 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -15.855 3.879 15.640 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -16.498 6.013 15.920 1.00 0.00 N ATOM 0 H ASN A 97 -16.172 5.086 10.937 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.546 4.495 13.339 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.696 6.120 13.440 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.544 4.587 13.480 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.310 5.986 16.922 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.852 6.868 15.490 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.053 2.718 12.108 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.489 1.357 11.816 1.00 0.00 C ATOM 1555 C GLU A 98 -17.728 1.172 10.320 1.00 0.00 C ATOM 1556 O GLU A 98 -17.465 0.104 9.765 1.00 0.00 O ATOM 1557 CB GLU A 98 -18.767 1.029 12.591 1.00 0.00 C ATOM 1558 CG GLU A 98 -19.901 2.008 12.338 1.00 0.00 C ATOM 1559 CD GLU A 98 -21.069 1.805 13.283 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -21.440 0.637 13.524 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -21.612 2.813 13.781 1.00 0.00 O ATOM 0 H GLU A 98 -17.762 3.433 11.944 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.698 0.675 12.128 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -19.098 0.026 12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.542 1.015 13.657 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.527 3.026 12.443 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.247 1.899 11.310 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.229 2.219 9.672 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.505 2.172 8.241 1.00 0.00 C ATOM 1570 C PHE A 99 -17.220 2.337 7.434 1.00 0.00 C ATOM 1571 O PHE A 99 -16.250 2.928 7.907 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.506 3.264 7.857 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.240 4.582 8.526 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -19.785 4.867 9.767 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.445 5.537 7.912 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -19.543 6.079 10.385 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.199 6.751 8.526 1.00 0.00 C ATOM 1578 CZ PHE A 99 -18.749 7.023 9.763 1.00 0.00 C ATOM 0 H PHE A 99 -18.452 3.110 10.115 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.935 1.197 8.011 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.483 3.403 6.776 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.511 2.931 8.115 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.407 4.133 10.258 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.013 5.331 6.944 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -19.974 6.288 11.353 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -17.577 7.487 8.038 1.00 0.00 H new ATOM 0 HZ PHE A 99 -18.559 7.972 10.243 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.223 1.809 6.214 1.00 0.00 N ATOM 1589 CA GLN A 100 -16.059 1.897 5.341 1.00 0.00 C ATOM 1590 C GLN A 100 -16.411 2.595 4.032 1.00 0.00 C ATOM 1591 O GLN A 100 -17.574 2.644 3.636 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.503 0.501 5.055 1.00 0.00 C ATOM 1593 CG GLN A 100 -15.550 -0.431 6.256 1.00 0.00 C ATOM 1594 CD GLN A 100 -16.966 -0.800 6.653 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -17.920 -0.521 5.926 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -17.111 -1.431 7.812 1.00 0.00 N ATOM 0 H GLN A 100 -18.018 1.316 5.808 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.297 2.486 5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.068 0.055 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.471 0.592 4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.992 -1.339 6.028 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.052 0.045 7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.293 -1.643 8.383 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.040 -1.704 8.131 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.396 3.134 3.363 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.619 3.823 2.105 1.00 0.00 C ATOM 1607 C GLY A 101 -15.491 2.901 0.909 1.00 0.00 C ATOM 1608 O GLY A 101 -15.672 1.689 1.028 1.00 0.00 O ATOM 0 H GLY A 101 -14.424 3.106 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.613 4.270 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.903 4.639 2.009 1.00 0.00 H new ATOM 1612 N MET A 102 -15.181 3.476 -0.249 1.00 0.00 N ATOM 1613 CA MET A 102 -15.030 2.696 -1.472 1.00 0.00 C ATOM 1614 C MET A 102 -13.732 1.896 -1.450 1.00 0.00 C ATOM 1615 O MET A 102 -12.657 2.445 -1.209 1.00 0.00 O ATOM 1616 CB MET A 102 -15.055 3.616 -2.694 1.00 0.00 C ATOM 1617 CG MET A 102 -16.454 3.885 -3.224 1.00 0.00 C ATOM 1618 SD MET A 102 -16.477 4.195 -5.000 1.00 0.00 S ATOM 1619 CE MET A 102 -15.610 5.760 -5.082 1.00 0.00 C ATOM 0 H MET A 102 -15.030 4.478 -0.366 1.00 0.00 H new ATOM 0 HA MET A 102 -15.865 1.998 -1.534 1.00 0.00 H new ATOM 0 HB2 MET A 102 -14.585 4.565 -2.434 1.00 0.00 H new ATOM 0 HB3 MET A 102 -14.455 3.170 -3.487 1.00 0.00 H new ATOM 0 HG2 MET A 102 -17.093 3.031 -3.000 1.00 0.00 H new ATOM 0 HG3 MET A 102 -16.876 4.745 -2.704 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.097 5.842 -6.040 1.00 0.00 H new ATOM 0 HE2 MET A 102 -16.324 6.577 -4.982 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.881 5.815 -4.274 1.00 0.00 H new ATOM 1629 N ASP A 103 -13.840 0.596 -1.703 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.674 -0.280 -1.713 1.00 0.00 C ATOM 1631 C ASP A 103 -11.943 -0.197 -3.050 1.00 0.00 C ATOM 1632 O ASP A 103 -12.453 -0.646 -4.076 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.092 -1.725 -1.435 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.386 -2.097 -2.132 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -14.327 -2.527 -3.304 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -15.458 -1.959 -1.507 1.00 0.00 O ATOM 0 H ASP A 103 -14.723 0.126 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 103 -11.995 0.051 -0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.300 -2.399 -1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.208 -1.867 -0.360 1.00 0.00 H new ATOM 1641 N SER A 104 -10.747 0.381 -3.030 1.00 0.00 N ATOM 1642 CA SER A 104 -9.948 0.527 -4.241 1.00 0.00 C ATOM 1643 C SER A 104 -9.780 -0.815 -4.946 1.00 0.00 C ATOM 1644 O SER A 104 -9.764 -1.866 -4.307 1.00 0.00 O ATOM 1645 CB SER A 104 -8.576 1.115 -3.904 1.00 0.00 C ATOM 1646 OG SER A 104 -8.065 0.562 -2.703 1.00 0.00 O ATOM 0 H SER A 104 -10.309 0.756 -2.188 1.00 0.00 H new ATOM 0 HA SER A 104 -10.472 1.207 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.882 0.920 -4.722 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.655 2.198 -3.805 1.00 0.00 H new ATOM 0 HG SER A 104 -8.448 1.036 -1.936 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.654 -0.770 -6.269 1.00 0.00 N ATOM 1653 CA GLU A 105 -9.488 -1.982 -7.062 1.00 0.00 C ATOM 1654 C GLU A 105 -8.519 -2.947 -6.385 1.00 0.00 C ATOM 1655 O GLU A 105 -7.302 -2.779 -6.466 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.984 -1.636 -8.464 1.00 0.00 C ATOM 1657 CG GLU A 105 -7.864 -0.610 -8.472 1.00 0.00 C ATOM 1658 CD GLU A 105 -8.378 0.815 -8.552 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -9.438 1.028 -9.178 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -7.721 1.716 -7.990 1.00 0.00 O ATOM 0 H GLU A 105 -9.664 0.092 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.460 -2.468 -7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.634 -2.547 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.816 -1.257 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.264 -0.726 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.206 -0.803 -9.319 1.00 0.00 H new ATOM 1667 N SER A 106 -9.067 -3.956 -5.716 1.00 0.00 N ATOM 1668 CA SER A 106 -8.252 -4.945 -5.021 1.00 0.00 C ATOM 1669 C SER A 106 -7.013 -5.299 -5.838 1.00 0.00 C ATOM 1670 O SER A 106 -7.114 -5.845 -6.937 1.00 0.00 O ATOM 1671 CB SER A 106 -9.071 -6.207 -4.742 1.00 0.00 C ATOM 1672 OG SER A 106 -9.628 -6.728 -5.937 1.00 0.00 O ATOM 0 H SER A 106 -10.072 -4.110 -5.641 1.00 0.00 H new ATOM 0 HA SER A 106 -7.930 -4.513 -4.074 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.437 -6.960 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.868 -5.978 -4.035 1.00 0.00 H new ATOM 0 HG SER A 106 -8.991 -6.613 -6.672 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.843 -4.985 -5.293 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.583 -5.270 -5.968 1.00 0.00 C ATOM 1680 C LYS A 107 -3.954 -6.551 -5.429 1.00 0.00 C ATOM 1681 O LYS A 107 -4.318 -7.029 -4.354 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.611 -4.100 -5.794 1.00 0.00 C ATOM 1683 CG LYS A 107 -4.029 -2.846 -6.543 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.658 -2.926 -8.014 1.00 0.00 C ATOM 1685 CE LYS A 107 -4.443 -1.920 -8.842 1.00 0.00 C ATOM 1686 NZ LYS A 107 -4.640 -2.388 -10.242 1.00 0.00 N ATOM 0 H LYS A 107 -5.741 -4.532 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.791 -5.407 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.522 -3.867 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.623 -4.406 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.105 -2.705 -6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.551 -1.976 -6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.590 -2.741 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.850 -3.933 -8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.413 -1.746 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.917 -0.966 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.179 -1.675 -10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.714 -2.530 -10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.165 -3.286 -10.237 1.00 0.00 H new ATOM 1700 N THR A 108 -3.007 -7.102 -6.182 1.00 0.00 N ATOM 1701 CA THR A 108 -2.328 -8.327 -5.780 1.00 0.00 C ATOM 1702 C THR A 108 -0.819 -8.121 -5.708 1.00 0.00 C ATOM 1703 O THR A 108 -0.211 -7.587 -6.635 1.00 0.00 O ATOM 1704 CB THR A 108 -2.631 -9.483 -6.752 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.719 -8.986 -8.092 1.00 0.00 O ATOM 1706 CG2 THR A 108 -3.931 -10.178 -6.377 1.00 0.00 C ATOM 0 H THR A 108 -2.693 -6.719 -7.074 1.00 0.00 H new ATOM 0 HA THR A 108 -2.704 -8.586 -4.790 1.00 0.00 H new ATOM 0 HB THR A 108 -1.818 -10.207 -6.686 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.910 -9.727 -8.704 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.124 -10.991 -7.077 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.850 -10.581 -5.367 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.751 -9.461 -6.417 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.220 -8.549 -4.601 1.00 0.00 N ATOM 1715 CA VAL A 109 1.219 -8.413 -4.410 1.00 0.00 C ATOM 1716 C VAL A 109 1.889 -9.777 -4.291 1.00 0.00 C ATOM 1717 O VAL A 109 1.727 -10.475 -3.290 1.00 0.00 O ATOM 1718 CB VAL A 109 1.542 -7.584 -3.153 1.00 0.00 C ATOM 1719 CG1 VAL A 109 0.915 -8.216 -1.920 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.047 -7.441 -2.981 1.00 0.00 C ATOM 0 H VAL A 109 -0.709 -8.993 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 109 1.607 -7.896 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 109 1.117 -6.588 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.154 -7.616 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.167 -8.261 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.308 -9.224 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.257 -6.852 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.497 -8.429 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.467 -6.940 -3.853 1.00 0.00 H new ATOM 1730 N ARG A 110 2.644 -10.151 -5.319 1.00 0.00 N ATOM 1731 CA ARG A 110 3.338 -11.433 -5.331 1.00 0.00 C ATOM 1732 C ARG A 110 4.699 -11.320 -4.650 1.00 0.00 C ATOM 1733 O ARG A 110 5.611 -10.671 -5.163 1.00 0.00 O ATOM 1734 CB ARG A 110 3.515 -11.929 -6.767 1.00 0.00 C ATOM 1735 CG ARG A 110 3.577 -13.443 -6.886 1.00 0.00 C ATOM 1736 CD ARG A 110 4.091 -13.874 -8.250 1.00 0.00 C ATOM 1737 NE ARG A 110 4.085 -15.326 -8.404 1.00 0.00 N ATOM 1738 CZ ARG A 110 4.780 -15.970 -9.335 1.00 0.00 C ATOM 1739 NH1 ARG A 110 5.534 -15.294 -10.191 1.00 0.00 N ATOM 1740 NH2 ARG A 110 4.723 -17.294 -9.411 1.00 0.00 N ATOM 0 H ARG A 110 2.791 -9.584 -6.154 1.00 0.00 H new ATOM 0 HA ARG A 110 2.732 -12.151 -4.778 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.689 -11.559 -7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.430 -11.503 -7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.227 -13.844 -6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.585 -13.863 -6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.474 -13.425 -9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.105 -13.499 -8.390 1.00 0.00 H new ATOM 0 HE ARG A 110 3.516 -15.876 -7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.582 -14.277 -10.136 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.067 -15.791 -10.905 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.145 -17.818 -8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.257 -17.787 -10.126 1.00 0.00 H new ATOM 1754 N THR A 111 4.829 -11.956 -3.489 1.00 0.00 N ATOM 1755 CA THR A 111 6.076 -11.926 -2.737 1.00 0.00 C ATOM 1756 C THR A 111 7.059 -12.968 -3.259 1.00 0.00 C ATOM 1757 O THR A 111 6.897 -14.165 -3.019 1.00 0.00 O ATOM 1758 CB THR A 111 5.833 -12.174 -1.236 1.00 0.00 C ATOM 1759 OG1 THR A 111 5.275 -13.477 -1.038 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.897 -11.123 -0.659 1.00 0.00 C ATOM 0 H THR A 111 4.085 -12.498 -3.050 1.00 0.00 H new ATOM 0 HA THR A 111 6.501 -10.931 -2.870 1.00 0.00 H new ATOM 0 HB THR A 111 6.791 -12.108 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 111 5.464 -13.779 -0.125 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.740 -11.319 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.339 -10.134 -0.784 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.941 -11.162 -1.180 1.00 0.00 H new ATOM 1768 N THR A 112 8.080 -12.506 -3.974 1.00 0.00 N ATOM 1769 CA THR A 112 9.089 -13.398 -4.531 1.00 0.00 C ATOM 1770 C THR A 112 9.610 -14.366 -3.475 1.00 0.00 C ATOM 1771 O THR A 112 9.316 -14.221 -2.289 1.00 0.00 O ATOM 1772 CB THR A 112 10.275 -12.609 -5.118 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.160 -13.496 -5.810 1.00 0.00 O ATOM 1774 CG2 THR A 112 11.036 -11.881 -4.020 1.00 0.00 C ATOM 0 H THR A 112 8.230 -11.519 -4.181 1.00 0.00 H new ATOM 0 HA THR A 112 8.606 -13.961 -5.330 1.00 0.00 H new ATOM 0 HB THR A 112 9.881 -11.871 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.910 -12.986 -6.181 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.869 -11.331 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.367 -11.185 -3.514 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.418 -12.605 -3.300 1.00 0.00 H new ATOM 1782 N GLU A 113 10.385 -15.353 -3.915 1.00 0.00 N ATOM 1783 CA GLU A 113 10.947 -16.345 -3.005 1.00 0.00 C ATOM 1784 C GLU A 113 12.460 -16.440 -3.172 1.00 0.00 C ATOM 1785 O GLU A 113 13.179 -16.770 -2.229 1.00 0.00 O ATOM 1786 CB GLU A 113 10.308 -17.714 -3.251 1.00 0.00 C ATOM 1787 CG GLU A 113 10.467 -18.213 -4.677 1.00 0.00 C ATOM 1788 CD GLU A 113 10.065 -19.666 -4.835 1.00 0.00 C ATOM 1789 OE1 GLU A 113 8.881 -19.983 -4.591 1.00 0.00 O ATOM 1790 OE2 GLU A 113 10.932 -20.486 -5.201 1.00 0.00 O ATOM 0 H GLU A 113 10.638 -15.487 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 113 10.731 -16.029 -1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.751 -18.440 -2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.246 -17.658 -3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.861 -17.598 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.505 -18.091 -4.987 1.00 0.00 H new