USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 973 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 66 ASN : amide:sc= -3.2! C(o=-5.5!,f=-10!) USER MOD Set 1.2: A 75 ASN : amide:sc= -2.28 K(o=-5.5,f=-9.1!) USER MOD Set 2.1: A 36 SER OG : rot 71:sc= 1.08 USER MOD Set 2.2: A 58 GLN : amide:sc= -0.161 X(o=0.92,f=0.66) USER MOD Set 3.1: A 34 HIS : no HE2:sc= -7.02! C(o=-7.8!,f=-8.4!) USER MOD Set 3.2: A 115 HIS : no HD1:sc= -0.759 X(o=-7.8,f=-7.8) USER MOD Set 4.1: A 33 GLN : amide:sc= -0.0334 X(o=-0.033,f=-0.025) USER MOD Set 4.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -160:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 17 MET CE :methyl 148:sc= -1.04 (180deg=-1.61!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -7.18! C(o=-7.2!,f=-13!) USER MOD Single : A 39 ASN : amide:sc= -0.547 K(o=-0.55,f=-2.7) USER MOD Single : A 40 THR OG1 : rot 66:sc= 0.0782 USER MOD Single : A 43 THR OG1 : rot -80:sc= 0.828 USER MOD Single : A 44 ASN : amide:sc=-0.00828 X(o=-0.0083,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.47! C(o=-2.5!,f=-2.6!) USER MOD Single : A 50 GLN : amide:sc= -2.18 K(o=-2.2,f=-4.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.33! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.5!) USER MOD Single : A 61 SER OG : rot 26:sc= 0.829! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.263 K(o=-0.26,f=-2.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.293 K(o=-0.29,f=-2.5!) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc=-0.00727 X(o=-0.0073,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.34) USER MOD Single : A 124 TYR OH : rot 30:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.591 K(o=-0.59,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 23 N VAL A 2 -5.318 6.468 11.154 1.00 0.00 N ATOM 24 CA VAL A 2 -4.114 5.716 11.466 1.00 0.00 C ATOM 25 C VAL A 2 -4.407 4.219 11.345 1.00 0.00 C ATOM 26 O VAL A 2 -5.513 3.773 11.648 1.00 0.00 O ATOM 27 CB VAL A 2 -3.594 6.113 12.849 1.00 0.00 C ATOM 28 CG1 VAL A 2 -2.265 5.418 13.155 1.00 0.00 C ATOM 29 CG2 VAL A 2 -3.459 7.632 12.969 1.00 0.00 C ATOM 0 HA VAL A 2 -3.322 5.951 10.755 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.323 5.783 13.589 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.917 5.717 14.144 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.406 4.337 13.131 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.524 5.704 12.408 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.088 7.887 13.962 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.760 7.996 12.216 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.433 8.097 12.815 1.00 0.00 H new ATOM 39 N TYR A 3 -3.398 3.485 10.900 1.00 0.00 N ATOM 40 CA TYR A 3 -3.533 2.048 10.735 1.00 0.00 C ATOM 41 C TYR A 3 -2.255 1.324 11.161 1.00 0.00 C ATOM 42 O TYR A 3 -1.157 1.706 10.758 1.00 0.00 O ATOM 43 CB TYR A 3 -3.763 1.815 9.241 1.00 0.00 C ATOM 44 CG TYR A 3 -5.234 1.865 8.822 1.00 0.00 C ATOM 45 CD1 TYR A 3 -5.863 3.082 8.657 1.00 0.00 C ATOM 46 CD2 TYR A 3 -5.931 0.693 8.609 1.00 0.00 C ATOM 47 CE1 TYR A 3 -7.248 3.129 8.263 1.00 0.00 C ATOM 48 CE2 TYR A 3 -7.315 0.740 8.215 1.00 0.00 C ATOM 49 CZ TYR A 3 -7.905 1.956 8.062 1.00 0.00 C ATOM 50 OH TYR A 3 -9.213 2.000 7.690 1.00 0.00 O ATOM 0 H TYR A 3 -2.483 3.859 10.648 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.349 1.667 11.348 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.210 2.566 8.677 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.351 0.844 8.968 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.317 3.999 8.823 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.438 -0.259 8.738 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.753 4.075 8.130 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.872 -0.169 8.045 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.553 1.087 7.581 1.00 0.00 H new ATOM 60 N GLU A 4 -2.439 0.292 11.971 1.00 0.00 N ATOM 61 CA GLU A 4 -1.313 -0.489 12.456 1.00 0.00 C ATOM 62 C GLU A 4 -1.426 -1.938 11.977 1.00 0.00 C ATOM 63 O GLU A 4 -2.482 -2.359 11.508 1.00 0.00 O ATOM 64 CB GLU A 4 -1.217 -0.423 13.982 1.00 0.00 C ATOM 65 CG GLU A 4 -2.412 -1.117 14.638 1.00 0.00 C ATOM 66 CD GLU A 4 -2.181 -1.306 16.138 1.00 0.00 C ATOM 67 OE1 GLU A 4 -1.523 -2.309 16.489 1.00 0.00 O ATOM 68 OE2 GLU A 4 -2.667 -0.442 16.900 1.00 0.00 O ATOM 0 H GLU A 4 -3.351 -0.022 12.304 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.397 -0.062 12.048 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.292 -0.895 14.312 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.176 0.618 14.302 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.314 -0.526 14.477 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.578 -2.086 14.167 1.00 0.00 H new ATOM 75 N ARG A 5 -0.324 -2.660 12.111 1.00 0.00 N ATOM 76 CA ARG A 5 -0.286 -4.052 11.697 1.00 0.00 C ATOM 77 C ARG A 5 -1.629 -4.727 11.981 1.00 0.00 C ATOM 78 O ARG A 5 -2.341 -5.113 11.056 1.00 0.00 O ATOM 79 CB ARG A 5 0.824 -4.813 12.426 1.00 0.00 C ATOM 80 CG ARG A 5 1.065 -4.229 13.819 1.00 0.00 C ATOM 81 CD ARG A 5 1.105 -5.334 14.877 1.00 0.00 C ATOM 82 NE ARG A 5 2.318 -5.191 15.713 1.00 0.00 N ATOM 83 CZ ARG A 5 2.489 -4.229 16.631 1.00 0.00 C ATOM 84 NH1 ARG A 5 1.526 -3.321 16.837 1.00 0.00 N ATOM 85 NH2 ARG A 5 3.623 -4.177 17.343 1.00 0.00 N ATOM 0 H ARG A 5 0.550 -2.307 12.501 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.084 -4.074 10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.553 -5.865 12.511 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.744 -4.767 11.844 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.005 -3.677 13.828 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.275 -3.517 14.061 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.214 -5.282 15.503 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.099 -6.311 14.394 1.00 0.00 H new ATOM 0 HE ARG A 5 3.071 -5.867 15.583 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.663 -3.361 16.295 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.656 -2.589 17.535 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.356 -4.869 17.186 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.754 -3.445 18.042 1.00 0.00 H new ATOM 99 N CYS A 6 -1.935 -4.848 13.265 1.00 0.00 N ATOM 100 CA CYS A 6 -3.180 -5.469 13.682 1.00 0.00 C ATOM 101 C CYS A 6 -4.320 -4.857 12.865 1.00 0.00 C ATOM 102 O CYS A 6 -4.839 -5.490 11.947 1.00 0.00 O ATOM 103 CB CYS A 6 -3.412 -5.318 15.187 1.00 0.00 C ATOM 104 SG CYS A 6 -3.507 -6.895 16.111 1.00 0.00 S ATOM 0 H CYS A 6 -1.342 -4.526 14.030 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.134 -6.542 13.494 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.606 -4.716 15.606 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.338 -4.765 15.344 1.00 0.00 H new ATOM 109 N GLU A 7 -4.675 -3.634 13.229 1.00 0.00 N ATOM 110 CA GLU A 7 -5.744 -2.929 12.541 1.00 0.00 C ATOM 111 C GLU A 7 -5.758 -3.304 11.057 1.00 0.00 C ATOM 112 O GLU A 7 -6.694 -3.947 10.585 1.00 0.00 O ATOM 113 CB GLU A 7 -5.609 -1.416 12.723 1.00 0.00 C ATOM 114 CG GLU A 7 -6.669 -0.884 13.689 1.00 0.00 C ATOM 115 CD GLU A 7 -6.270 -1.149 15.142 1.00 0.00 C ATOM 116 OE1 GLU A 7 -5.234 -0.588 15.558 1.00 0.00 O ATOM 117 OE2 GLU A 7 -7.011 -1.908 15.804 1.00 0.00 O ATOM 0 H GLU A 7 -4.242 -3.113 13.991 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.694 -3.231 12.981 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.615 -1.179 13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.709 -0.920 11.758 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.802 0.187 13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.628 -1.358 13.479 1.00 0.00 H new ATOM 124 N PHE A 8 -4.709 -2.885 10.364 1.00 0.00 N ATOM 125 CA PHE A 8 -4.589 -3.169 8.944 1.00 0.00 C ATOM 126 C PHE A 8 -5.022 -4.603 8.633 1.00 0.00 C ATOM 127 O PHE A 8 -5.839 -4.828 7.741 1.00 0.00 O ATOM 128 CB PHE A 8 -3.113 -3.004 8.579 1.00 0.00 C ATOM 129 CG PHE A 8 -2.878 -2.305 7.238 1.00 0.00 C ATOM 130 CD1 PHE A 8 -3.675 -2.590 6.174 1.00 0.00 C ATOM 131 CD2 PHE A 8 -1.872 -1.399 7.110 1.00 0.00 C ATOM 132 CE1 PHE A 8 -3.458 -1.942 4.929 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.654 -0.751 5.865 1.00 0.00 C ATOM 134 CZ PHE A 8 -2.451 -1.036 4.801 1.00 0.00 C ATOM 0 H PHE A 8 -3.935 -2.351 10.759 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.227 -2.494 8.374 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.616 -2.436 9.365 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.644 -3.988 8.552 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.474 -3.310 6.276 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.239 -1.172 7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.092 -2.168 4.084 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.855 -0.032 5.763 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.285 -0.543 3.854 1.00 0.00 H new ATOM 144 N ALA A 9 -4.455 -5.535 9.385 1.00 0.00 N ATOM 145 CA ALA A 9 -4.773 -6.940 9.200 1.00 0.00 C ATOM 146 C ALA A 9 -6.284 -7.139 9.333 1.00 0.00 C ATOM 147 O ALA A 9 -6.924 -7.679 8.431 1.00 0.00 O ATOM 148 CB ALA A 9 -3.984 -7.779 10.208 1.00 0.00 C ATOM 0 H ALA A 9 -3.778 -5.344 10.123 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.484 -7.270 8.202 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.222 -8.834 10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.916 -7.625 10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.251 -7.477 11.221 1.00 0.00 H new ATOM 154 N ARG A 10 -6.811 -6.693 10.463 1.00 0.00 N ATOM 155 CA ARG A 10 -8.235 -6.815 10.725 1.00 0.00 C ATOM 156 C ARG A 10 -9.040 -6.265 9.546 1.00 0.00 C ATOM 157 O ARG A 10 -9.847 -6.980 8.954 1.00 0.00 O ATOM 158 CB ARG A 10 -8.627 -6.061 11.998 1.00 0.00 C ATOM 159 CG ARG A 10 -10.131 -6.169 12.257 1.00 0.00 C ATOM 160 CD ARG A 10 -10.526 -5.403 13.521 1.00 0.00 C ATOM 161 NE ARG A 10 -11.501 -6.191 14.307 1.00 0.00 N ATOM 162 CZ ARG A 10 -12.784 -6.363 13.959 1.00 0.00 C ATOM 163 NH1 ARG A 10 -13.254 -5.803 12.836 1.00 0.00 N ATOM 164 NH2 ARG A 10 -13.596 -7.095 14.734 1.00 0.00 N ATOM 0 H ARG A 10 -6.277 -6.246 11.209 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.459 -7.873 10.860 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.078 -6.465 12.848 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.344 -5.012 11.906 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.680 -5.775 11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.412 -7.217 12.360 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.641 -5.199 14.124 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.958 -4.439 13.252 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.176 -6.631 15.168 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.636 -5.246 12.246 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.230 -5.934 12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.238 -7.521 15.589 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.572 -7.226 14.469 1.00 0.00 H new ATOM 178 N THR A 11 -8.793 -5.000 9.240 1.00 0.00 N ATOM 179 CA THR A 11 -9.485 -4.347 8.142 1.00 0.00 C ATOM 180 C THR A 11 -9.385 -5.191 6.871 1.00 0.00 C ATOM 181 O THR A 11 -10.401 -5.543 6.273 1.00 0.00 O ATOM 182 CB THR A 11 -8.902 -2.941 7.986 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.412 -2.226 9.108 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.479 -2.199 6.778 1.00 0.00 C ATOM 0 H THR A 11 -8.123 -4.410 9.733 1.00 0.00 H new ATOM 0 HA THR A 11 -10.551 -4.252 8.347 1.00 0.00 H new ATOM 0 HB THR A 11 -7.818 -3.007 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.360 -1.263 8.933 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.032 -1.207 6.713 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.257 -2.757 5.868 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.559 -2.104 6.891 1.00 0.00 H new ATOM 192 N LEU A 12 -8.151 -5.493 6.495 1.00 0.00 N ATOM 193 CA LEU A 12 -7.905 -6.290 5.305 1.00 0.00 C ATOM 194 C LEU A 12 -8.832 -7.507 5.310 1.00 0.00 C ATOM 195 O LEU A 12 -9.563 -7.739 4.348 1.00 0.00 O ATOM 196 CB LEU A 12 -6.421 -6.648 5.197 1.00 0.00 C ATOM 197 CG LEU A 12 -5.743 -6.307 3.869 1.00 0.00 C ATOM 198 CD1 LEU A 12 -5.356 -4.828 3.815 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.545 -7.223 3.613 1.00 0.00 C ATOM 0 H LEU A 12 -7.311 -5.200 6.993 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.137 -5.716 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.885 -6.137 5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.312 -7.718 5.373 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.459 -6.482 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.876 -4.612 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.251 -4.214 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.665 -4.603 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.082 -6.959 2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.818 -7.104 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.881 -8.259 3.577 1.00 0.00 H new ATOM 211 N LYS A 13 -8.773 -8.251 6.404 1.00 0.00 N ATOM 212 CA LYS A 13 -9.598 -9.439 6.548 1.00 0.00 C ATOM 213 C LYS A 13 -11.072 -9.028 6.587 1.00 0.00 C ATOM 214 O LYS A 13 -11.948 -9.813 6.227 1.00 0.00 O ATOM 215 CB LYS A 13 -9.155 -10.256 7.763 1.00 0.00 C ATOM 216 CG LYS A 13 -9.077 -11.746 7.423 1.00 0.00 C ATOM 217 CD LYS A 13 -10.453 -12.406 7.532 1.00 0.00 C ATOM 218 CE LYS A 13 -10.500 -13.711 6.735 1.00 0.00 C ATOM 219 NZ LYS A 13 -11.827 -14.352 6.868 1.00 0.00 N ATOM 0 H LYS A 13 -8.166 -8.054 7.200 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.472 -10.097 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.181 -9.906 8.106 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.856 -10.103 8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.688 -11.872 6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.378 -12.241 8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.682 -12.607 8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.218 -11.723 7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.290 -13.510 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.725 -14.389 7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.842 -15.236 6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.013 -14.561 7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.561 -13.709 6.507 1.00 0.00 H new ATOM 233 N ARG A 14 -11.299 -7.799 7.026 1.00 0.00 N ATOM 234 CA ARG A 14 -12.651 -7.275 7.117 1.00 0.00 C ATOM 235 C ARG A 14 -13.143 -6.834 5.736 1.00 0.00 C ATOM 236 O ARG A 14 -14.348 -6.770 5.494 1.00 0.00 O ATOM 237 CB ARG A 14 -12.718 -6.086 8.078 1.00 0.00 C ATOM 238 CG ARG A 14 -14.169 -5.727 8.406 1.00 0.00 C ATOM 239 CD ARG A 14 -14.659 -6.496 9.635 1.00 0.00 C ATOM 240 NE ARG A 14 -15.690 -5.707 10.346 1.00 0.00 N ATOM 241 CZ ARG A 14 -16.974 -5.635 9.970 1.00 0.00 C ATOM 242 NH1 ARG A 14 -17.393 -6.305 8.888 1.00 0.00 N ATOM 243 NH2 ARG A 14 -17.839 -4.895 10.677 1.00 0.00 N ATOM 0 H ARG A 14 -10.569 -7.151 7.323 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.290 -8.071 7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.182 -6.326 8.997 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.218 -5.226 7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.250 -4.655 8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.806 -5.955 7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -15.070 -7.459 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.823 -6.703 10.303 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.405 -5.185 11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -16.735 -6.869 8.351 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.370 -6.251 8.601 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.520 -4.386 11.502 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.816 -4.840 10.391 1.00 0.00 H new ATOM 257 N ASN A 15 -12.186 -6.543 4.868 1.00 0.00 N ATOM 258 CA ASN A 15 -12.507 -6.110 3.518 1.00 0.00 C ATOM 259 C ASN A 15 -12.618 -7.334 2.607 1.00 0.00 C ATOM 260 O ASN A 15 -13.502 -7.400 1.755 1.00 0.00 O ATOM 261 CB ASN A 15 -11.413 -5.200 2.956 1.00 0.00 C ATOM 262 CG ASN A 15 -12.018 -4.041 2.162 1.00 0.00 C ATOM 263 OD1 ASN A 15 -12.390 -4.173 1.008 1.00 0.00 O ATOM 264 ND2 ASN A 15 -12.094 -2.901 2.842 1.00 0.00 N ATOM 0 H ASN A 15 -11.188 -6.598 5.073 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.448 -5.561 3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.806 -4.808 3.772 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.749 -5.778 2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.482 -2.068 2.399 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.764 -2.859 3.806 1.00 0.00 H new ATOM 271 N GLY A 16 -11.708 -8.274 2.819 1.00 0.00 N ATOM 272 CA GLY A 16 -11.693 -9.493 2.028 1.00 0.00 C ATOM 273 C GLY A 16 -10.500 -9.509 1.070 1.00 0.00 C ATOM 274 O GLY A 16 -10.633 -9.913 -0.085 1.00 0.00 O ATOM 0 H GLY A 16 -10.976 -8.216 3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.646 -10.359 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.620 -9.575 1.461 1.00 0.00 H new ATOM 278 N MET A 17 -9.363 -9.064 1.583 1.00 0.00 N ATOM 279 CA MET A 17 -8.148 -9.022 0.787 1.00 0.00 C ATOM 280 C MET A 17 -7.038 -9.850 1.437 1.00 0.00 C ATOM 281 O MET A 17 -6.274 -10.522 0.746 1.00 0.00 O ATOM 282 CB MET A 17 -7.684 -7.572 0.639 1.00 0.00 C ATOM 283 CG MET A 17 -7.239 -7.282 -0.795 1.00 0.00 C ATOM 284 SD MET A 17 -6.013 -5.984 -0.804 1.00 0.00 S ATOM 285 CE MET A 17 -5.909 -5.668 -2.558 1.00 0.00 C ATOM 0 H MET A 17 -9.257 -8.729 2.541 1.00 0.00 H new ATOM 0 HA MET A 17 -8.364 -9.445 -0.194 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.494 -6.897 0.915 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.860 -7.378 1.325 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.828 -8.185 -1.246 1.00 0.00 H new ATOM 0 HG3 MET A 17 -8.098 -6.987 -1.398 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.684 -4.615 -2.725 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.119 -6.281 -2.992 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.860 -5.915 -3.029 1.00 0.00 H new ATOM 295 N ALA A 18 -6.984 -9.775 2.759 1.00 0.00 N ATOM 296 CA ALA A 18 -5.980 -10.509 3.510 1.00 0.00 C ATOM 297 C ALA A 18 -6.012 -11.980 3.093 1.00 0.00 C ATOM 298 O ALA A 18 -6.963 -12.697 3.403 1.00 0.00 O ATOM 299 CB ALA A 18 -6.225 -10.322 5.009 1.00 0.00 C ATOM 0 H ALA A 18 -7.620 -9.217 3.329 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.983 -10.126 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.472 -10.873 5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.162 -9.263 5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.216 -10.697 5.265 1.00 0.00 H new ATOM 305 N GLY A 19 -4.962 -12.388 2.396 1.00 0.00 N ATOM 306 CA GLY A 19 -4.857 -13.761 1.933 1.00 0.00 C ATOM 307 C GLY A 19 -5.203 -13.867 0.446 1.00 0.00 C ATOM 308 O GLY A 19 -5.558 -14.940 -0.038 1.00 0.00 O ATOM 0 H GLY A 19 -4.175 -11.791 2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.845 -14.129 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.527 -14.396 2.512 1.00 0.00 H new ATOM 312 N TYR A 20 -5.086 -12.737 -0.237 1.00 0.00 N ATOM 313 CA TYR A 20 -5.382 -12.689 -1.659 1.00 0.00 C ATOM 314 C TYR A 20 -4.794 -13.902 -2.382 1.00 0.00 C ATOM 315 O TYR A 20 -3.995 -14.643 -1.811 1.00 0.00 O ATOM 316 CB TYR A 20 -4.709 -11.420 -2.186 1.00 0.00 C ATOM 317 CG TYR A 20 -5.421 -10.792 -3.386 1.00 0.00 C ATOM 318 CD1 TYR A 20 -6.666 -10.219 -3.227 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.816 -10.797 -4.627 1.00 0.00 C ATOM 320 CE1 TYR A 20 -7.336 -9.628 -4.357 1.00 0.00 C ATOM 321 CE2 TYR A 20 -5.486 -10.206 -5.756 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.713 -9.650 -5.566 1.00 0.00 C ATOM 323 OH TYR A 20 -7.345 -9.092 -6.632 1.00 0.00 O ATOM 0 H TYR A 20 -4.791 -11.849 0.168 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.459 -12.693 -1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.659 -10.686 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.683 -11.655 -2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.138 -10.214 -2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.841 -11.244 -4.751 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.311 -9.177 -4.247 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.025 -10.204 -6.732 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.782 -9.180 -7.429 1.00 0.00 H new ATOM 333 N TYR A 21 -5.211 -14.067 -3.629 1.00 0.00 N ATOM 334 CA TYR A 21 -4.736 -15.177 -4.437 1.00 0.00 C ATOM 335 C TYR A 21 -3.275 -15.503 -4.116 1.00 0.00 C ATOM 336 O TYR A 21 -2.928 -16.662 -3.896 1.00 0.00 O ATOM 337 CB TYR A 21 -4.836 -14.714 -5.891 1.00 0.00 C ATOM 338 CG TYR A 21 -5.984 -15.356 -6.672 1.00 0.00 C ATOM 339 CD1 TYR A 21 -6.104 -16.730 -6.716 1.00 0.00 C ATOM 340 CD2 TYR A 21 -6.900 -14.561 -7.331 1.00 0.00 C ATOM 341 CE1 TYR A 21 -7.185 -17.335 -7.451 1.00 0.00 C ATOM 342 CE2 TYR A 21 -7.981 -15.166 -8.065 1.00 0.00 C ATOM 343 CZ TYR A 21 -8.070 -16.523 -8.089 1.00 0.00 C ATOM 344 OH TYR A 21 -9.091 -17.094 -8.783 1.00 0.00 O ATOM 0 H TYR A 21 -5.873 -13.450 -4.100 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.326 -16.073 -4.243 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.959 -13.631 -5.909 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.897 -14.936 -6.398 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.388 -17.352 -6.199 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.806 -13.486 -7.296 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.290 -18.409 -7.494 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.705 -14.556 -8.585 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.645 -16.393 -9.186 1.00 0.00 H new ATOM 354 N GLY A 22 -2.460 -14.459 -4.101 1.00 0.00 N ATOM 355 CA GLY A 22 -1.045 -14.619 -3.811 1.00 0.00 C ATOM 356 C GLY A 22 -0.641 -13.803 -2.582 1.00 0.00 C ATOM 357 O GLY A 22 -0.114 -14.350 -1.615 1.00 0.00 O ATOM 0 H GLY A 22 -2.752 -13.499 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.822 -15.672 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.456 -14.303 -4.672 1.00 0.00 H new ATOM 361 N VAL A 23 -0.904 -12.506 -2.659 1.00 0.00 N ATOM 362 CA VAL A 23 -0.575 -11.610 -1.564 1.00 0.00 C ATOM 363 C VAL A 23 -1.188 -12.146 -0.269 1.00 0.00 C ATOM 364 O VAL A 23 -2.408 -12.229 -0.143 1.00 0.00 O ATOM 365 CB VAL A 23 -1.032 -10.188 -1.897 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.397 -9.171 -0.945 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.724 -9.840 -3.355 1.00 0.00 C ATOM 0 H VAL A 23 -1.341 -12.055 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 23 0.504 -11.566 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.113 -10.144 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.738 -8.169 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.688 -9.401 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.688 -9.219 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.059 -8.824 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.350 -9.911 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.243 -10.537 -4.013 1.00 0.00 H new ATOM 377 N SER A 24 -0.312 -12.498 0.661 1.00 0.00 N ATOM 378 CA SER A 24 -0.751 -13.024 1.942 1.00 0.00 C ATOM 379 C SER A 24 -0.933 -11.882 2.943 1.00 0.00 C ATOM 380 O SER A 24 -0.187 -10.904 2.917 1.00 0.00 O ATOM 381 CB SER A 24 0.243 -14.052 2.486 1.00 0.00 C ATOM 382 OG SER A 24 -0.349 -15.340 2.636 1.00 0.00 O ATOM 0 H SER A 24 0.700 -12.429 0.553 1.00 0.00 H new ATOM 0 HA SER A 24 -1.707 -13.526 1.795 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.097 -14.122 1.813 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.624 -13.714 3.450 1.00 0.00 H new ATOM 0 HG SER A 24 0.318 -15.968 2.984 1.00 0.00 H new ATOM 388 N LEU A 25 -1.929 -12.043 3.802 1.00 0.00 N ATOM 389 CA LEU A 25 -2.219 -11.037 4.809 1.00 0.00 C ATOM 390 C LEU A 25 -0.908 -10.551 5.430 1.00 0.00 C ATOM 391 O LEU A 25 -0.685 -9.348 5.557 1.00 0.00 O ATOM 392 CB LEU A 25 -3.221 -11.575 5.832 1.00 0.00 C ATOM 393 CG LEU A 25 -3.278 -10.835 7.170 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.635 -9.361 6.965 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.238 -11.528 8.140 1.00 0.00 C ATOM 0 H LEU A 25 -2.545 -12.855 3.821 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.698 -10.170 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.215 -11.552 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.984 -12.621 6.028 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.286 -10.867 7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.669 -8.857 7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.881 -8.888 6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.609 -9.286 6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.260 -10.982 9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.239 -11.548 7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.900 -12.549 8.320 1.00 0.00 H new ATOM 407 N ALA A 26 -0.074 -11.511 5.801 1.00 0.00 N ATOM 408 CA ALA A 26 1.209 -11.197 6.406 1.00 0.00 C ATOM 409 C ALA A 26 2.023 -10.329 5.443 1.00 0.00 C ATOM 410 O ALA A 26 2.670 -9.371 5.861 1.00 0.00 O ATOM 411 CB ALA A 26 1.932 -12.494 6.774 1.00 0.00 C ATOM 0 H ALA A 26 -0.262 -12.508 5.694 1.00 0.00 H new ATOM 0 HA ALA A 26 1.070 -10.629 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.894 -12.258 7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.326 -13.060 7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.091 -13.090 5.875 1.00 0.00 H new ATOM 417 N ASP A 27 1.963 -10.697 4.171 1.00 0.00 N ATOM 418 CA ASP A 27 2.686 -9.964 3.146 1.00 0.00 C ATOM 419 C ASP A 27 2.128 -8.543 3.051 1.00 0.00 C ATOM 420 O ASP A 27 2.878 -7.590 2.843 1.00 0.00 O ATOM 421 CB ASP A 27 2.523 -10.628 1.777 1.00 0.00 C ATOM 422 CG ASP A 27 2.982 -12.086 1.706 1.00 0.00 C ATOM 423 OD1 ASP A 27 3.682 -12.507 2.653 1.00 0.00 O ATOM 424 OD2 ASP A 27 2.623 -12.746 0.708 1.00 0.00 O ATOM 0 H ASP A 27 1.425 -11.493 3.828 1.00 0.00 H new ATOM 0 HA ASP A 27 3.741 -9.954 3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.473 -10.579 1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.082 -10.051 1.041 1.00 0.00 H new ATOM 429 N TRP A 28 0.816 -8.445 3.208 1.00 0.00 N ATOM 430 CA TRP A 28 0.148 -7.156 3.143 1.00 0.00 C ATOM 431 C TRP A 28 0.663 -6.298 4.301 1.00 0.00 C ATOM 432 O TRP A 28 1.183 -5.205 4.085 1.00 0.00 O ATOM 433 CB TRP A 28 -1.372 -7.324 3.153 1.00 0.00 C ATOM 434 CG TRP A 28 -1.978 -7.594 1.774 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.705 -8.650 1.385 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.878 -6.746 0.610 1.00 0.00 C ATOM 437 NE1 TRP A 28 -3.080 -8.545 0.061 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.561 -7.351 -0.425 1.00 0.00 C ATOM 439 CE3 TRP A 28 -1.232 -5.509 0.438 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.664 -6.792 -1.705 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -1.343 -4.965 -0.846 1.00 0.00 C ATOM 442 CH2 TRP A 28 -2.027 -5.561 -1.899 1.00 0.00 C ATOM 0 H TRP A 28 0.197 -9.238 3.380 1.00 0.00 H new ATOM 0 HA TRP A 28 0.378 -6.650 2.205 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.632 -8.146 3.820 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.824 -6.423 3.567 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.965 -9.479 2.027 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.636 -9.220 -0.464 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.693 -5.018 1.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.206 -7.284 -2.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.864 -4.015 -1.032 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.067 -5.076 -2.863 1.00 0.00 H new ATOM 453 N VAL A 29 0.499 -6.826 5.505 1.00 0.00 N ATOM 454 CA VAL A 29 0.940 -6.123 6.697 1.00 0.00 C ATOM 455 C VAL A 29 2.403 -5.708 6.527 1.00 0.00 C ATOM 456 O VAL A 29 2.719 -4.519 6.529 1.00 0.00 O ATOM 457 CB VAL A 29 0.704 -6.992 7.934 1.00 0.00 C ATOM 458 CG1 VAL A 29 1.044 -6.226 9.215 1.00 0.00 C ATOM 459 CG2 VAL A 29 -0.733 -7.513 7.973 1.00 0.00 C ATOM 0 H VAL A 29 0.067 -7.733 5.680 1.00 0.00 H new ATOM 0 HA VAL A 29 0.359 -5.212 6.841 1.00 0.00 H new ATOM 0 HB VAL A 29 1.370 -7.852 7.870 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.868 -6.866 10.079 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.092 -5.927 9.193 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.415 -5.339 9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.873 -8.128 8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.425 -6.671 8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.927 -8.112 7.083 1.00 0.00 H new ATOM 469 N CYS A 30 3.256 -6.711 6.385 1.00 0.00 N ATOM 470 CA CYS A 30 4.678 -6.466 6.215 1.00 0.00 C ATOM 471 C CYS A 30 4.854 -5.372 5.160 1.00 0.00 C ATOM 472 O CYS A 30 5.614 -4.426 5.361 1.00 0.00 O ATOM 473 CB CYS A 30 5.433 -7.744 5.843 1.00 0.00 C ATOM 474 SG CYS A 30 5.634 -8.021 4.046 1.00 0.00 S ATOM 0 H CYS A 30 2.990 -7.696 6.384 1.00 0.00 H new ATOM 0 HA CYS A 30 5.107 -6.132 7.160 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.420 -7.713 6.304 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.907 -8.597 6.271 1.00 0.00 H new ATOM 479 N LEU A 31 4.137 -5.537 4.057 1.00 0.00 N ATOM 480 CA LEU A 31 4.204 -4.576 2.970 1.00 0.00 C ATOM 481 C LEU A 31 3.768 -3.202 3.482 1.00 0.00 C ATOM 482 O LEU A 31 4.577 -2.279 3.561 1.00 0.00 O ATOM 483 CB LEU A 31 3.396 -5.069 1.768 1.00 0.00 C ATOM 484 CG LEU A 31 3.465 -4.200 0.511 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.636 -5.061 -0.742 1.00 0.00 C ATOM 486 CD2 LEU A 31 2.247 -3.280 0.412 1.00 0.00 C ATOM 0 H LEU A 31 3.507 -6.322 3.894 1.00 0.00 H new ATOM 0 HA LEU A 31 5.229 -4.474 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.739 -6.071 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.352 -5.156 2.068 1.00 0.00 H new ATOM 0 HG LEU A 31 4.345 -3.561 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.682 -4.419 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.558 -5.637 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.790 -5.742 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.322 -2.673 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.339 -3.882 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.211 -2.628 1.285 1.00 0.00 H new ATOM 498 N ALA A 32 2.489 -3.109 3.817 1.00 0.00 N ATOM 499 CA ALA A 32 1.936 -1.863 4.319 1.00 0.00 C ATOM 500 C ALA A 32 2.903 -1.253 5.335 1.00 0.00 C ATOM 501 O ALA A 32 2.967 -0.033 5.482 1.00 0.00 O ATOM 502 CB ALA A 32 0.551 -2.124 4.917 1.00 0.00 C ATOM 0 H ALA A 32 1.820 -3.876 3.750 1.00 0.00 H new ATOM 0 HA ALA A 32 1.812 -1.144 3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.135 -1.189 5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.107 -2.530 4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.637 -2.839 5.735 1.00 0.00 H new ATOM 508 N GLN A 33 3.633 -2.129 6.010 1.00 0.00 N ATOM 509 CA GLN A 33 4.595 -1.692 7.007 1.00 0.00 C ATOM 510 C GLN A 33 5.807 -1.049 6.330 1.00 0.00 C ATOM 511 O GLN A 33 6.185 0.073 6.663 1.00 0.00 O ATOM 512 CB GLN A 33 5.021 -2.855 7.905 1.00 0.00 C ATOM 513 CG GLN A 33 5.550 -2.347 9.248 1.00 0.00 C ATOM 514 CD GLN A 33 7.071 -2.191 9.214 1.00 0.00 C ATOM 515 OE1 GLN A 33 7.819 -3.153 9.172 1.00 0.00 O ATOM 516 NE2 GLN A 33 7.486 -0.927 9.235 1.00 0.00 N ATOM 0 H GLN A 33 3.577 -3.140 5.886 1.00 0.00 H new ATOM 0 HA GLN A 33 4.118 -0.944 7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.173 -3.519 8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.792 -3.442 7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.088 -1.389 9.486 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.270 -3.042 10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.806 -0.168 9.270 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.484 -0.718 9.216 1.00 0.00 H new ATOM 525 N HIS A 34 6.382 -1.788 5.393 1.00 0.00 N ATOM 526 CA HIS A 34 7.543 -1.304 4.666 1.00 0.00 C ATOM 527 C HIS A 34 7.177 -0.028 3.905 1.00 0.00 C ATOM 528 O HIS A 34 8.051 0.769 3.565 1.00 0.00 O ATOM 529 CB HIS A 34 8.108 -2.396 3.755 1.00 0.00 C ATOM 530 CG HIS A 34 9.581 -2.248 3.460 1.00 0.00 C ATOM 531 ND1 HIS A 34 10.145 -1.057 3.033 1.00 0.00 N ATOM 532 CD2 HIS A 34 10.601 -3.151 3.535 1.00 0.00 C ATOM 533 CE1 HIS A 34 11.444 -1.248 2.862 1.00 0.00 C ATOM 534 NE2 HIS A 34 11.725 -2.546 3.172 1.00 0.00 N ATOM 0 H HIS A 34 6.065 -2.719 5.120 1.00 0.00 H new ATOM 0 HA HIS A 34 8.337 -1.051 5.369 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.937 -3.367 4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.557 -2.391 2.814 1.00 0.00 H new ATOM 0 HD1 HIS A 34 9.645 -0.182 2.877 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.509 -4.183 3.838 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.157 -0.506 2.534 1.00 0.00 H new ATOM 543 N GLU A 35 5.884 0.127 3.660 1.00 0.00 N ATOM 544 CA GLU A 35 5.392 1.292 2.946 1.00 0.00 C ATOM 545 C GLU A 35 5.420 2.523 3.855 1.00 0.00 C ATOM 546 O GLU A 35 6.171 3.465 3.607 1.00 0.00 O ATOM 547 CB GLU A 35 3.985 1.046 2.399 1.00 0.00 C ATOM 548 CG GLU A 35 3.990 -0.071 1.353 1.00 0.00 C ATOM 549 CD GLU A 35 5.136 0.116 0.356 1.00 0.00 C ATOM 550 OE1 GLU A 35 4.934 0.895 -0.600 1.00 0.00 O ATOM 551 OE2 GLU A 35 6.187 -0.524 0.573 1.00 0.00 O ATOM 0 H GLU A 35 5.162 -0.536 3.944 1.00 0.00 H new ATOM 0 HA GLU A 35 6.049 1.477 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.315 0.780 3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.598 1.963 1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.088 -1.037 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.039 -0.080 0.821 1.00 0.00 H new ATOM 558 N SER A 36 4.592 2.474 4.888 1.00 0.00 N ATOM 559 CA SER A 36 4.512 3.573 5.835 1.00 0.00 C ATOM 560 C SER A 36 3.173 3.531 6.574 1.00 0.00 C ATOM 561 O SER A 36 2.372 4.458 6.469 1.00 0.00 O ATOM 562 CB SER A 36 4.686 4.921 5.131 1.00 0.00 C ATOM 563 OG SER A 36 6.025 5.400 5.220 1.00 0.00 O ATOM 0 H SER A 36 3.971 1.691 5.090 1.00 0.00 H new ATOM 0 HA SER A 36 5.322 3.462 6.556 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.405 4.821 4.082 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.009 5.652 5.574 1.00 0.00 H new ATOM 0 HG SER A 36 6.608 4.846 4.660 1.00 0.00 H new ATOM 569 N ASN A 37 2.972 2.444 7.306 1.00 0.00 N ATOM 570 CA ASN A 37 1.744 2.268 8.063 1.00 0.00 C ATOM 571 C ASN A 37 1.587 3.428 9.049 1.00 0.00 C ATOM 572 O ASN A 37 2.063 4.533 8.794 1.00 0.00 O ATOM 573 CB ASN A 37 1.773 0.966 8.865 1.00 0.00 C ATOM 574 CG ASN A 37 0.373 0.359 8.976 1.00 0.00 C ATOM 575 OD1 ASN A 37 -0.598 0.870 8.442 1.00 0.00 O ATOM 576 ND2 ASN A 37 0.323 -0.757 9.697 1.00 0.00 N ATOM 0 H ASN A 37 3.639 1.677 7.391 1.00 0.00 H new ATOM 0 HA ASN A 37 0.914 2.238 7.357 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.445 0.254 8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.170 1.157 9.862 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.566 -1.239 9.830 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.174 -1.131 10.117 1.00 0.00 H new ATOM 583 N TYR A 38 0.919 3.135 10.155 1.00 0.00 N ATOM 584 CA TYR A 38 0.693 4.140 11.180 1.00 0.00 C ATOM 585 C TYR A 38 -0.347 5.165 10.725 1.00 0.00 C ATOM 586 O TYR A 38 -1.456 4.800 10.338 1.00 0.00 O ATOM 587 CB TYR A 38 2.035 4.847 11.380 1.00 0.00 C ATOM 588 CG TYR A 38 3.228 3.896 11.499 1.00 0.00 C ATOM 589 CD1 TYR A 38 3.308 3.018 12.561 1.00 0.00 C ATOM 590 CD2 TYR A 38 4.225 3.916 10.544 1.00 0.00 C ATOM 591 CE1 TYR A 38 4.430 2.123 12.672 1.00 0.00 C ATOM 592 CE2 TYR A 38 5.347 3.021 10.656 1.00 0.00 C ATOM 593 CZ TYR A 38 5.395 2.169 11.715 1.00 0.00 C ATOM 594 OH TYR A 38 6.455 1.324 11.820 1.00 0.00 O ATOM 0 H TYR A 38 0.527 2.217 10.364 1.00 0.00 H new ATOM 0 HA TYR A 38 0.323 3.678 12.095 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.205 5.524 10.543 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.981 5.460 12.280 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.529 3.002 13.309 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.163 4.603 9.713 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.504 1.430 13.497 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.133 3.026 9.916 1.00 0.00 H new ATOM 0 HH TYR A 38 7.064 1.468 11.066 1.00 0.00 H new ATOM 604 N ASN A 39 0.048 6.428 10.786 1.00 0.00 N ATOM 605 CA ASN A 39 -0.837 7.509 10.385 1.00 0.00 C ATOM 606 C ASN A 39 -0.740 7.705 8.871 1.00 0.00 C ATOM 607 O ASN A 39 0.340 7.588 8.293 1.00 0.00 O ATOM 608 CB ASN A 39 -0.440 8.824 11.058 1.00 0.00 C ATOM 609 CG ASN A 39 1.080 9.003 11.061 1.00 0.00 C ATOM 610 OD1 ASN A 39 1.696 9.307 10.053 1.00 0.00 O ATOM 611 ND2 ASN A 39 1.646 8.797 12.246 1.00 0.00 N ATOM 0 H ASN A 39 0.969 6.727 11.107 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.851 7.243 10.683 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.907 9.659 10.536 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.813 8.840 12.082 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.656 8.891 12.352 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.070 8.545 13.049 1.00 0.00 H new ATOM 618 N THR A 40 -1.884 8.001 8.270 1.00 0.00 N ATOM 619 CA THR A 40 -1.942 8.215 6.834 1.00 0.00 C ATOM 620 C THR A 40 -1.240 9.522 6.461 1.00 0.00 C ATOM 621 O THR A 40 -1.852 10.414 5.874 1.00 0.00 O ATOM 622 CB THR A 40 -3.411 8.170 6.409 1.00 0.00 C ATOM 623 OG1 THR A 40 -4.076 8.984 7.371 1.00 0.00 O ATOM 624 CG2 THR A 40 -4.033 6.785 6.597 1.00 0.00 C ATOM 0 H THR A 40 -2.778 8.098 8.752 1.00 0.00 H new ATOM 0 HA THR A 40 -1.409 7.432 6.295 1.00 0.00 H new ATOM 0 HB THR A 40 -3.495 8.466 5.363 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.780 9.913 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.076 6.808 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.488 6.057 5.997 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.979 6.502 7.648 1.00 0.00 H new ATOM 632 N ARG A 41 0.034 9.595 6.817 1.00 0.00 N ATOM 633 CA ARG A 41 0.825 10.779 6.526 1.00 0.00 C ATOM 634 C ARG A 41 1.926 10.447 5.517 1.00 0.00 C ATOM 635 O ARG A 41 2.760 11.295 5.202 1.00 0.00 O ATOM 636 CB ARG A 41 1.462 11.342 7.799 1.00 0.00 C ATOM 637 CG ARG A 41 1.651 12.856 7.694 1.00 0.00 C ATOM 638 CD ARG A 41 0.463 13.601 8.306 1.00 0.00 C ATOM 639 NE ARG A 41 0.447 15.004 7.835 1.00 0.00 N ATOM 640 CZ ARG A 41 -0.623 15.807 7.901 1.00 0.00 C ATOM 641 NH1 ARG A 41 -1.772 15.351 8.418 1.00 0.00 N ATOM 642 NH2 ARG A 41 -0.545 17.066 7.449 1.00 0.00 N ATOM 0 H ARG A 41 0.538 8.854 7.304 1.00 0.00 H new ATOM 0 HA ARG A 41 0.156 11.530 6.105 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.833 11.109 8.658 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.426 10.863 7.970 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.569 13.148 8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.763 13.140 6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.468 13.106 8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.528 13.575 9.394 1.00 0.00 H new ATOM 0 HE ARG A 41 1.305 15.383 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.832 14.392 8.761 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.587 15.963 8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.329 17.413 7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.360 17.677 7.499 1.00 0.00 H new ATOM 656 N ALA A 42 1.893 9.212 5.038 1.00 0.00 N ATOM 657 CA ALA A 42 2.878 8.758 4.071 1.00 0.00 C ATOM 658 C ALA A 42 2.844 9.675 2.847 1.00 0.00 C ATOM 659 O ALA A 42 2.077 9.444 1.914 1.00 0.00 O ATOM 660 CB ALA A 42 2.604 7.296 3.712 1.00 0.00 C ATOM 0 H ALA A 42 1.200 8.512 5.302 1.00 0.00 H new ATOM 0 HA ALA A 42 3.882 8.808 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.343 6.955 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.668 6.683 4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.606 7.208 3.283 1.00 0.00 H new ATOM 666 N THR A 43 3.687 10.697 2.890 1.00 0.00 N ATOM 667 CA THR A 43 3.764 11.650 1.795 1.00 0.00 C ATOM 668 C THR A 43 5.213 12.083 1.566 1.00 0.00 C ATOM 669 O THR A 43 5.862 12.598 2.475 1.00 0.00 O ATOM 670 CB THR A 43 2.825 12.815 2.116 1.00 0.00 C ATOM 671 OG1 THR A 43 2.968 12.998 3.522 1.00 0.00 O ATOM 672 CG2 THR A 43 1.351 12.446 1.936 1.00 0.00 C ATOM 0 H THR A 43 4.322 10.886 3.665 1.00 0.00 H new ATOM 0 HA THR A 43 3.440 11.201 0.856 1.00 0.00 H new ATOM 0 HB THR A 43 3.067 13.663 1.476 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.428 12.331 3.995 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.728 13.308 2.177 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.174 12.148 0.903 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.099 11.619 2.600 1.00 0.00 H new ATOM 680 N ASN A 44 5.678 11.858 0.346 1.00 0.00 N ATOM 681 CA ASN A 44 7.039 12.219 -0.014 1.00 0.00 C ATOM 682 C ASN A 44 7.095 12.554 -1.506 1.00 0.00 C ATOM 683 O ASN A 44 7.154 11.657 -2.346 1.00 0.00 O ATOM 684 CB ASN A 44 8.003 11.060 0.246 1.00 0.00 C ATOM 685 CG ASN A 44 9.183 11.512 1.110 1.00 0.00 C ATOM 686 OD1 ASN A 44 10.076 12.215 0.668 1.00 0.00 O ATOM 687 ND2 ASN A 44 9.136 11.069 2.363 1.00 0.00 N ATOM 0 H ASN A 44 5.137 11.430 -0.406 1.00 0.00 H new ATOM 0 HA ASN A 44 7.333 13.076 0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.474 10.247 0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.371 10.668 -0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.877 11.315 3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.359 10.483 2.668 1.00 0.00 H new ATOM 694 N TYR A 45 7.075 13.848 -1.791 1.00 0.00 N ATOM 695 CA TYR A 45 7.123 14.312 -3.166 1.00 0.00 C ATOM 696 C TYR A 45 8.568 14.508 -3.629 1.00 0.00 C ATOM 697 O TYR A 45 9.473 14.648 -2.808 1.00 0.00 O ATOM 698 CB TYR A 45 6.408 15.665 -3.180 1.00 0.00 C ATOM 699 CG TYR A 45 7.350 16.867 -3.077 1.00 0.00 C ATOM 700 CD1 TYR A 45 7.747 17.328 -1.839 1.00 0.00 C ATOM 701 CD2 TYR A 45 7.800 17.490 -4.223 1.00 0.00 C ATOM 702 CE1 TYR A 45 8.633 18.459 -1.742 1.00 0.00 C ATOM 703 CE2 TYR A 45 8.686 18.622 -4.126 1.00 0.00 C ATOM 704 CZ TYR A 45 9.059 19.050 -2.890 1.00 0.00 C ATOM 705 OH TYR A 45 9.895 20.119 -2.799 1.00 0.00 O ATOM 0 H TYR A 45 7.026 14.589 -1.092 1.00 0.00 H new ATOM 0 HA TYR A 45 6.657 13.586 -3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.828 15.749 -4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.700 15.699 -2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.393 16.841 -0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.488 17.129 -5.192 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.952 18.829 -0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.046 19.119 -5.015 1.00 0.00 H new ATOM 0 HH TYR A 45 10.118 20.438 -3.699 1.00 0.00 H new ATOM 715 N ASN A 46 8.740 14.511 -4.943 1.00 0.00 N ATOM 716 CA ASN A 46 10.060 14.687 -5.525 1.00 0.00 C ATOM 717 C ASN A 46 9.916 15.075 -6.998 1.00 0.00 C ATOM 718 O ASN A 46 9.604 14.232 -7.838 1.00 0.00 O ATOM 719 CB ASN A 46 10.870 13.391 -5.454 1.00 0.00 C ATOM 720 CG ASN A 46 11.245 13.057 -4.009 1.00 0.00 C ATOM 721 OD1 ASN A 46 10.670 12.186 -3.377 1.00 0.00 O ATOM 722 ND2 ASN A 46 12.239 13.795 -3.523 1.00 0.00 N ATOM 0 H ASN A 46 7.987 14.394 -5.621 1.00 0.00 H new ATOM 0 HA ASN A 46 10.575 15.466 -4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.291 12.572 -5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.774 13.490 -6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.563 13.648 -2.567 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.677 14.508 -4.106 1.00 0.00 H new ATOM 729 N ARG A 47 10.149 16.351 -7.266 1.00 0.00 N ATOM 730 CA ARG A 47 10.049 16.861 -8.623 1.00 0.00 C ATOM 731 C ARG A 47 11.268 16.432 -9.442 1.00 0.00 C ATOM 732 O ARG A 47 11.162 16.204 -10.646 1.00 0.00 O ATOM 733 CB ARG A 47 9.949 18.388 -8.631 1.00 0.00 C ATOM 734 CG ARG A 47 9.081 18.874 -9.794 1.00 0.00 C ATOM 735 CD ARG A 47 8.400 20.201 -9.452 1.00 0.00 C ATOM 736 NE ARG A 47 7.401 20.539 -10.490 1.00 0.00 N ATOM 737 CZ ARG A 47 6.262 19.860 -10.686 1.00 0.00 C ATOM 738 NH1 ARG A 47 5.972 18.802 -9.917 1.00 0.00 N ATOM 739 NH2 ARG A 47 5.414 20.238 -11.652 1.00 0.00 N ATOM 0 H ARG A 47 10.407 17.047 -6.567 1.00 0.00 H new ATOM 0 HA ARG A 47 9.144 16.447 -9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.526 18.733 -7.688 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.946 18.821 -8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.696 18.996 -10.686 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.326 18.123 -10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.915 20.130 -8.478 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.145 20.994 -9.380 1.00 0.00 H new ATOM 0 HE ARG A 47 7.591 21.339 -11.094 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.618 18.513 -9.182 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.105 18.285 -10.066 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.635 21.043 -12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.547 19.721 -11.801 1.00 0.00 H new ATOM 753 N GLY A 48 12.398 16.336 -8.757 1.00 0.00 N ATOM 754 CA GLY A 48 13.635 15.938 -9.406 1.00 0.00 C ATOM 755 C GLY A 48 13.379 14.862 -10.463 1.00 0.00 C ATOM 756 O GLY A 48 13.957 14.902 -11.548 1.00 0.00 O ATOM 0 H GLY A 48 12.483 16.527 -7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.101 16.806 -9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.336 15.561 -8.661 1.00 0.00 H new ATOM 760 N ASP A 49 12.511 13.926 -10.110 1.00 0.00 N ATOM 761 CA ASP A 49 12.170 12.841 -11.014 1.00 0.00 C ATOM 762 C ASP A 49 10.658 12.833 -11.249 1.00 0.00 C ATOM 763 O ASP A 49 10.066 11.778 -11.469 1.00 0.00 O ATOM 764 CB ASP A 49 12.564 11.486 -10.422 1.00 0.00 C ATOM 765 CG ASP A 49 13.507 10.650 -11.289 1.00 0.00 C ATOM 766 OD1 ASP A 49 14.218 11.267 -12.111 1.00 0.00 O ATOM 767 OD2 ASP A 49 13.495 9.413 -11.111 1.00 0.00 O ATOM 0 H ASP A 49 12.033 13.896 -9.209 1.00 0.00 H new ATOM 0 HA ASP A 49 12.711 12.998 -11.947 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.037 11.653 -9.454 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.657 10.910 -10.238 1.00 0.00 H new ATOM 772 N GLN A 50 10.077 14.022 -11.193 1.00 0.00 N ATOM 773 CA GLN A 50 8.646 14.166 -11.397 1.00 0.00 C ATOM 774 C GLN A 50 7.904 12.960 -10.818 1.00 0.00 C ATOM 775 O GLN A 50 7.034 12.389 -11.474 1.00 0.00 O ATOM 776 CB GLN A 50 8.319 14.351 -12.880 1.00 0.00 C ATOM 777 CG GLN A 50 6.874 14.818 -13.069 1.00 0.00 C ATOM 778 CD GLN A 50 6.192 14.046 -14.201 1.00 0.00 C ATOM 779 OE1 GLN A 50 6.541 14.163 -15.364 1.00 0.00 O ATOM 780 NE2 GLN A 50 5.203 13.254 -13.797 1.00 0.00 N ATOM 0 H GLN A 50 10.572 14.895 -11.009 1.00 0.00 H new ATOM 0 HA GLN A 50 8.312 15.061 -10.871 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.001 15.080 -13.318 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.473 13.411 -13.410 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.318 14.677 -12.142 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.859 15.885 -13.291 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.962 13.203 -12.807 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.685 12.697 -14.477 1.00 0.00 H new ATOM 789 N SER A 51 8.275 12.608 -9.596 1.00 0.00 N ATOM 790 CA SER A 51 7.655 11.480 -8.921 1.00 0.00 C ATOM 791 C SER A 51 7.401 11.823 -7.452 1.00 0.00 C ATOM 792 O SER A 51 8.143 12.603 -6.856 1.00 0.00 O ATOM 793 CB SER A 51 8.526 10.227 -9.030 1.00 0.00 C ATOM 794 OG SER A 51 9.716 10.334 -8.254 1.00 0.00 O ATOM 0 H SER A 51 8.997 13.084 -9.055 1.00 0.00 H new ATOM 0 HA SER A 51 6.702 11.272 -9.408 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.955 9.359 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.788 10.058 -10.074 1.00 0.00 H new ATOM 0 HG SER A 51 10.243 9.514 -8.349 1.00 0.00 H new ATOM 800 N THR A 52 6.351 11.225 -6.910 1.00 0.00 N ATOM 801 CA THR A 52 5.990 11.458 -5.522 1.00 0.00 C ATOM 802 C THR A 52 5.503 10.161 -4.873 1.00 0.00 C ATOM 803 O THR A 52 4.668 9.455 -5.437 1.00 0.00 O ATOM 804 CB THR A 52 4.953 12.582 -5.486 1.00 0.00 C ATOM 805 OG1 THR A 52 5.709 13.760 -5.754 1.00 0.00 O ATOM 806 CG2 THR A 52 4.388 12.813 -4.083 1.00 0.00 C ATOM 0 H THR A 52 5.738 10.579 -7.407 1.00 0.00 H new ATOM 0 HA THR A 52 6.853 11.774 -4.936 1.00 0.00 H new ATOM 0 HB THR A 52 4.138 12.346 -6.171 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.114 14.538 -5.751 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.657 13.621 -4.114 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.906 11.901 -3.730 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.198 13.082 -3.404 1.00 0.00 H new ATOM 814 N ASP A 53 6.045 9.886 -3.696 1.00 0.00 N ATOM 815 CA ASP A 53 5.676 8.687 -2.964 1.00 0.00 C ATOM 816 C ASP A 53 4.681 9.053 -1.860 1.00 0.00 C ATOM 817 O ASP A 53 5.077 9.521 -0.794 1.00 0.00 O ATOM 818 CB ASP A 53 6.899 8.046 -2.304 1.00 0.00 C ATOM 819 CG ASP A 53 8.029 7.670 -3.264 1.00 0.00 C ATOM 820 OD1 ASP A 53 7.995 6.522 -3.759 1.00 0.00 O ATOM 821 OD2 ASP A 53 8.902 8.538 -3.481 1.00 0.00 O ATOM 0 H ASP A 53 6.737 10.473 -3.231 1.00 0.00 H new ATOM 0 HA ASP A 53 5.237 7.983 -3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.292 8.735 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.579 7.149 -1.774 1.00 0.00 H new ATOM 826 N TYR A 54 3.410 8.827 -2.155 1.00 0.00 N ATOM 827 CA TYR A 54 2.355 9.128 -1.202 1.00 0.00 C ATOM 828 C TYR A 54 1.457 7.910 -0.976 1.00 0.00 C ATOM 829 O TYR A 54 1.392 7.017 -1.819 1.00 0.00 O ATOM 830 CB TYR A 54 1.526 10.249 -1.830 1.00 0.00 C ATOM 831 CG TYR A 54 2.001 11.656 -1.461 1.00 0.00 C ATOM 832 CD1 TYR A 54 3.317 12.017 -1.670 1.00 0.00 C ATOM 833 CD2 TYR A 54 1.114 12.564 -0.920 1.00 0.00 C ATOM 834 CE1 TYR A 54 3.764 13.341 -1.322 1.00 0.00 C ATOM 835 CE2 TYR A 54 1.561 13.888 -0.573 1.00 0.00 C ATOM 836 CZ TYR A 54 2.864 14.211 -0.791 1.00 0.00 C ATOM 837 OH TYR A 54 3.286 15.462 -0.463 1.00 0.00 O ATOM 0 H TYR A 54 3.086 8.439 -3.041 1.00 0.00 H new ATOM 0 HA TYR A 54 2.778 9.411 -0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.550 10.141 -2.914 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.487 10.135 -1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.011 11.307 -2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.084 12.282 -0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.791 13.636 -1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.877 14.608 -0.149 1.00 0.00 H new ATOM 0 HH TYR A 54 2.536 15.974 -0.096 1.00 0.00 H new ATOM 847 N GLY A 55 0.785 7.914 0.166 1.00 0.00 N ATOM 848 CA GLY A 55 -0.107 6.821 0.513 1.00 0.00 C ATOM 849 C GLY A 55 0.550 5.876 1.521 1.00 0.00 C ATOM 850 O GLY A 55 1.754 5.634 1.457 1.00 0.00 O ATOM 0 H GLY A 55 0.840 8.657 0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.031 7.220 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.377 6.268 -0.387 1.00 0.00 H new ATOM 854 N ILE A 56 -0.270 5.367 2.429 1.00 0.00 N ATOM 855 CA ILE A 56 0.216 4.455 3.450 1.00 0.00 C ATOM 856 C ILE A 56 1.023 3.337 2.785 1.00 0.00 C ATOM 857 O ILE A 56 1.983 2.831 3.365 1.00 0.00 O ATOM 858 CB ILE A 56 -0.942 3.947 4.311 1.00 0.00 C ATOM 859 CG1 ILE A 56 -0.433 3.395 5.644 1.00 0.00 C ATOM 860 CG2 ILE A 56 -1.784 2.922 3.549 1.00 0.00 C ATOM 861 CD1 ILE A 56 -1.596 3.080 6.587 1.00 0.00 C ATOM 0 H ILE A 56 -1.269 5.569 2.479 1.00 0.00 H new ATOM 0 HA ILE A 56 0.888 4.973 4.134 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.593 4.791 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.152 2.492 5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.233 4.120 6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.600 2.577 4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.193 3.383 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.159 2.074 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.207 2.689 7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.165 3.990 6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.247 2.336 6.127 1.00 0.00 H new ATOM 873 N PHE A 57 0.605 2.986 1.578 1.00 0.00 N ATOM 874 CA PHE A 57 1.277 1.938 0.829 1.00 0.00 C ATOM 875 C PHE A 57 2.399 2.516 -0.036 1.00 0.00 C ATOM 876 O PHE A 57 2.804 1.904 -1.023 1.00 0.00 O ATOM 877 CB PHE A 57 0.228 1.295 -0.080 1.00 0.00 C ATOM 878 CG PHE A 57 -0.610 0.213 0.605 1.00 0.00 C ATOM 879 CD1 PHE A 57 0.001 -0.854 1.187 1.00 0.00 C ATOM 880 CD2 PHE A 57 -1.966 0.319 0.633 1.00 0.00 C ATOM 881 CE1 PHE A 57 -0.777 -1.857 1.822 1.00 0.00 C ATOM 882 CE2 PHE A 57 -2.743 -0.684 1.269 1.00 0.00 C ATOM 883 CZ PHE A 57 -2.132 -1.751 1.850 1.00 0.00 C ATOM 0 H PHE A 57 -0.191 3.409 1.100 1.00 0.00 H new ATOM 0 HA PHE A 57 1.719 1.215 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.438 2.072 -0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.729 0.859 -0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.078 -0.938 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.451 1.166 0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.292 -2.705 2.283 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.819 -0.600 1.292 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.723 -2.514 2.334 1.00 0.00 H new ATOM 893 N GLN A 58 2.868 3.688 0.365 1.00 0.00 N ATOM 894 CA GLN A 58 3.935 4.356 -0.361 1.00 0.00 C ATOM 895 C GLN A 58 3.764 4.146 -1.867 1.00 0.00 C ATOM 896 O GLN A 58 4.548 3.434 -2.492 1.00 0.00 O ATOM 897 CB GLN A 58 5.307 3.867 0.107 1.00 0.00 C ATOM 898 CG GLN A 58 6.348 4.984 0.015 1.00 0.00 C ATOM 899 CD GLN A 58 6.930 5.307 1.393 1.00 0.00 C ATOM 900 OE1 GLN A 58 7.925 4.746 1.821 1.00 0.00 O ATOM 901 NE2 GLN A 58 6.256 6.239 2.060 1.00 0.00 N ATOM 0 H GLN A 58 2.529 4.193 1.184 1.00 0.00 H new ATOM 0 HA GLN A 58 3.876 5.424 -0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.239 3.512 1.135 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.622 3.020 -0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.149 4.684 -0.661 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.891 5.878 -0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.430 6.668 1.642 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.565 6.525 2.989 1.00 0.00 H new ATOM 910 N ILE A 59 2.733 4.780 -2.407 1.00 0.00 N ATOM 911 CA ILE A 59 2.448 4.672 -3.828 1.00 0.00 C ATOM 912 C ILE A 59 3.062 5.869 -4.558 1.00 0.00 C ATOM 913 O ILE A 59 2.930 7.007 -4.112 1.00 0.00 O ATOM 914 CB ILE A 59 0.945 4.513 -4.063 1.00 0.00 C ATOM 915 CG1 ILE A 59 0.487 3.090 -3.737 1.00 0.00 C ATOM 916 CG2 ILE A 59 0.565 4.926 -5.486 1.00 0.00 C ATOM 917 CD1 ILE A 59 -1.039 3.006 -3.672 1.00 0.00 C ATOM 0 H ILE A 59 2.085 5.370 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 59 2.908 3.775 -4.242 1.00 0.00 H new ATOM 0 HB ILE A 59 0.420 5.184 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.861 2.401 -4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.913 2.777 -2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.509 4.803 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.835 5.970 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.098 4.300 -6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.338 1.984 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.408 3.678 -2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.461 3.297 -4.634 1.00 0.00 H new ATOM 929 N ASN A 60 3.719 5.569 -5.669 1.00 0.00 N ATOM 930 CA ASN A 60 4.353 6.606 -6.466 1.00 0.00 C ATOM 931 C ASN A 60 3.297 7.291 -7.337 1.00 0.00 C ATOM 932 O ASN A 60 2.493 6.622 -7.985 1.00 0.00 O ATOM 933 CB ASN A 60 5.418 6.015 -7.391 1.00 0.00 C ATOM 934 CG ASN A 60 6.776 6.683 -7.161 1.00 0.00 C ATOM 935 OD1 ASN A 60 6.876 7.780 -6.637 1.00 0.00 O ATOM 936 ND2 ASN A 60 7.811 5.962 -7.582 1.00 0.00 N ATOM 0 H ASN A 60 3.826 4.623 -6.036 1.00 0.00 H new ATOM 0 HA ASN A 60 4.821 7.317 -5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.502 4.942 -7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.116 6.146 -8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.760 6.321 -7.474 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.656 5.050 -8.012 1.00 0.00 H new ATOM 943 N SER A 61 3.334 8.615 -7.324 1.00 0.00 N ATOM 944 CA SER A 61 2.391 9.398 -8.104 1.00 0.00 C ATOM 945 C SER A 61 2.959 9.662 -9.500 1.00 0.00 C ATOM 946 O SER A 61 2.416 10.468 -10.253 1.00 0.00 O ATOM 947 CB SER A 61 2.062 10.719 -7.407 1.00 0.00 C ATOM 948 OG SER A 61 1.893 11.786 -8.337 1.00 0.00 O ATOM 0 H SER A 61 4.003 9.166 -6.785 1.00 0.00 H new ATOM 0 HA SER A 61 1.467 8.827 -8.196 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.151 10.602 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.861 10.969 -6.709 1.00 0.00 H new ATOM 0 HG SER A 61 1.609 11.424 -9.202 1.00 0.00 H new ATOM 954 N ARG A 62 4.045 8.966 -9.804 1.00 0.00 N ATOM 955 CA ARG A 62 4.693 9.115 -11.096 1.00 0.00 C ATOM 956 C ARG A 62 4.075 8.153 -12.113 1.00 0.00 C ATOM 957 O ARG A 62 4.456 8.152 -13.283 1.00 0.00 O ATOM 958 CB ARG A 62 6.195 8.843 -10.994 1.00 0.00 C ATOM 959 CG ARG A 62 6.463 7.386 -10.610 1.00 0.00 C ATOM 960 CD ARG A 62 7.343 6.697 -11.655 1.00 0.00 C ATOM 961 NE ARG A 62 7.436 5.249 -11.362 1.00 0.00 N ATOM 962 CZ ARG A 62 8.413 4.452 -11.816 1.00 0.00 C ATOM 963 NH1 ARG A 62 9.386 4.957 -12.586 1.00 0.00 N ATOM 964 NH2 ARG A 62 8.416 3.150 -11.500 1.00 0.00 N ATOM 0 H ARG A 62 4.493 8.297 -9.177 1.00 0.00 H new ATOM 0 HA ARG A 62 4.544 10.143 -11.425 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.674 9.066 -11.947 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.639 9.506 -10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.950 7.347 -9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.518 6.851 -10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.926 6.849 -12.651 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.338 7.141 -11.655 1.00 0.00 H new ATOM 0 HE ARG A 62 6.711 4.832 -10.778 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.383 5.948 -12.827 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.130 4.350 -12.932 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.675 2.766 -10.914 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.159 2.543 -11.845 1.00 0.00 H new ATOM 978 N TYR A 63 3.132 7.358 -11.631 1.00 0.00 N ATOM 979 CA TYR A 63 2.458 6.393 -12.483 1.00 0.00 C ATOM 980 C TYR A 63 1.043 6.108 -11.977 1.00 0.00 C ATOM 981 O TYR A 63 0.096 6.065 -12.761 1.00 0.00 O ATOM 982 CB TYR A 63 3.284 5.108 -12.402 1.00 0.00 C ATOM 983 CG TYR A 63 3.459 4.394 -13.743 1.00 0.00 C ATOM 984 CD1 TYR A 63 2.465 3.562 -14.217 1.00 0.00 C ATOM 985 CD2 TYR A 63 4.610 4.582 -14.480 1.00 0.00 C ATOM 986 CE1 TYR A 63 2.629 2.890 -15.480 1.00 0.00 C ATOM 987 CE2 TYR A 63 4.774 3.910 -15.743 1.00 0.00 C ATOM 988 CZ TYR A 63 3.776 3.098 -16.181 1.00 0.00 C ATOM 989 OH TYR A 63 3.931 2.463 -17.374 1.00 0.00 O ATOM 0 H TYR A 63 2.818 7.362 -10.660 1.00 0.00 H new ATOM 0 HA TYR A 63 2.375 6.773 -13.501 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.268 5.346 -11.998 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.807 4.426 -11.699 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.564 3.415 -13.640 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.388 5.233 -14.110 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.859 2.236 -15.862 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.670 4.048 -16.329 1.00 0.00 H new ATOM 0 HH TYR A 63 4.797 2.706 -17.764 1.00 0.00 H new ATOM 999 N TRP A 64 0.943 5.922 -10.669 1.00 0.00 N ATOM 1000 CA TRP A 64 -0.341 5.642 -10.048 1.00 0.00 C ATOM 1001 C TRP A 64 -0.907 6.961 -9.519 1.00 0.00 C ATOM 1002 O TRP A 64 -0.159 7.902 -9.259 1.00 0.00 O ATOM 1003 CB TRP A 64 -0.204 4.573 -8.963 1.00 0.00 C ATOM 1004 CG TRP A 64 0.507 3.300 -9.429 1.00 0.00 C ATOM 1005 CD1 TRP A 64 0.060 2.373 -10.286 1.00 0.00 C ATOM 1006 CD2 TRP A 64 1.818 2.851 -9.026 1.00 0.00 C ATOM 1007 NE1 TRP A 64 0.983 1.362 -10.464 1.00 0.00 N ATOM 1008 CE2 TRP A 64 2.086 1.662 -9.673 1.00 0.00 C ATOM 1009 CE3 TRP A 64 2.746 3.430 -8.143 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 3.280 0.951 -9.507 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 3.935 2.707 -7.987 1.00 0.00 C ATOM 1012 CH2 TRP A 64 4.220 1.509 -8.632 1.00 0.00 C ATOM 0 H TRP A 64 1.730 5.960 -10.022 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.040 5.230 -10.776 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.343 4.994 -8.119 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.197 4.310 -8.599 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.902 2.412 -10.776 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.875 0.545 -11.065 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.557 4.359 -7.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.466 0.022 -10.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.683 3.108 -7.319 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.162 1.011 -8.459 1.00 0.00 H new ATOM 1023 N CYS A 65 -2.224 6.988 -9.377 1.00 0.00 N ATOM 1024 CA CYS A 65 -2.900 8.176 -8.884 1.00 0.00 C ATOM 1025 C CYS A 65 -2.452 9.369 -9.730 1.00 0.00 C ATOM 1026 O CYS A 65 -1.598 9.229 -10.604 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.634 8.401 -7.394 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.123 9.364 -7.021 1.00 0.00 S ATOM 0 H CYS A 65 -2.841 6.206 -9.595 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.979 8.049 -8.978 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.492 8.915 -6.960 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.561 7.431 -6.902 1.00 0.00 H new ATOM 1033 N ASN A 66 -3.048 10.517 -9.440 1.00 0.00 N ATOM 1034 CA ASN A 66 -2.721 11.733 -10.164 1.00 0.00 C ATOM 1035 C ASN A 66 -3.115 12.946 -9.318 1.00 0.00 C ATOM 1036 O ASN A 66 -3.439 12.806 -8.140 1.00 0.00 O ATOM 1037 CB ASN A 66 -3.487 11.811 -11.486 1.00 0.00 C ATOM 1038 CG ASN A 66 -2.527 11.965 -12.668 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -1.331 11.750 -12.561 1.00 0.00 O ATOM 1040 ND2 ASN A 66 -3.116 12.348 -13.797 1.00 0.00 N ATOM 0 H ASN A 66 -3.755 10.630 -8.714 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.650 11.726 -10.368 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.088 10.911 -11.616 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.177 12.654 -11.461 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.561 12.479 -14.643 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.123 12.511 -13.817 1.00 0.00 H new ATOM 1047 N ASP A 67 -3.074 14.108 -9.953 1.00 0.00 N ATOM 1048 CA ASP A 67 -3.423 15.345 -9.273 1.00 0.00 C ATOM 1049 C ASP A 67 -3.999 16.334 -10.288 1.00 0.00 C ATOM 1050 O ASP A 67 -5.078 16.886 -10.078 1.00 0.00 O ATOM 1051 CB ASP A 67 -2.191 15.987 -8.632 1.00 0.00 C ATOM 1052 CG ASP A 67 -2.480 16.865 -7.413 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -3.429 16.519 -6.677 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -1.744 17.861 -7.244 1.00 0.00 O ATOM 0 H ASP A 67 -2.805 14.220 -10.930 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.152 15.110 -8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.500 15.197 -8.337 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.682 16.591 -9.383 1.00 0.00 H new ATOM 1059 N GLY A 68 -3.253 16.529 -11.366 1.00 0.00 N ATOM 1060 CA GLY A 68 -3.676 17.442 -12.413 1.00 0.00 C ATOM 1061 C GLY A 68 -2.720 18.631 -12.523 1.00 0.00 C ATOM 1062 O GLY A 68 -2.907 19.507 -13.366 1.00 0.00 O ATOM 0 H GLY A 68 -2.358 16.070 -11.536 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.717 16.914 -13.366 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.684 17.800 -12.203 1.00 0.00 H new ATOM 1066 N LYS A 69 -1.716 18.624 -11.658 1.00 0.00 N ATOM 1067 CA LYS A 69 -0.730 19.691 -11.647 1.00 0.00 C ATOM 1068 C LYS A 69 0.458 19.291 -12.525 1.00 0.00 C ATOM 1069 O LYS A 69 1.282 20.132 -12.882 1.00 0.00 O ATOM 1070 CB LYS A 69 -0.341 20.047 -10.211 1.00 0.00 C ATOM 1071 CG LYS A 69 -0.408 21.558 -9.983 1.00 0.00 C ATOM 1072 CD LYS A 69 -1.563 21.921 -9.047 1.00 0.00 C ATOM 1073 CE LYS A 69 -1.488 23.390 -8.627 1.00 0.00 C ATOM 1074 NZ LYS A 69 -1.577 23.514 -7.155 1.00 0.00 N ATOM 0 H LYS A 69 -1.564 17.896 -10.960 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.150 20.602 -12.074 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.008 19.541 -9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.668 19.689 -10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.533 21.907 -9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.535 22.068 -10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.513 21.730 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.533 21.284 -8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.554 23.828 -8.979 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.298 23.950 -9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.524 24.518 -6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.480 23.115 -6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.789 22.997 -6.715 1.00 0.00 H new ATOM 1088 N THR A 70 0.509 18.007 -12.847 1.00 0.00 N ATOM 1089 CA THR A 70 1.582 17.486 -13.676 1.00 0.00 C ATOM 1090 C THR A 70 1.010 16.741 -14.883 1.00 0.00 C ATOM 1091 O THR A 70 0.684 15.558 -14.791 1.00 0.00 O ATOM 1092 CB THR A 70 2.480 16.615 -12.795 1.00 0.00 C ATOM 1093 OG1 THR A 70 3.277 17.553 -12.077 1.00 0.00 O ATOM 1094 CG2 THR A 70 3.495 15.809 -13.608 1.00 0.00 C ATOM 0 H THR A 70 -0.176 17.312 -12.549 1.00 0.00 H new ATOM 0 HA THR A 70 2.189 18.292 -14.089 1.00 0.00 H new ATOM 0 HB THR A 70 1.862 15.934 -12.209 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.888 17.073 -11.479 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.106 15.209 -12.934 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.968 15.153 -14.301 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.135 16.490 -14.169 1.00 0.00 H new ATOM 1102 N PRO A 71 0.901 17.483 -16.018 1.00 0.00 N ATOM 1103 CA PRO A 71 0.373 16.905 -17.242 1.00 0.00 C ATOM 1104 C PRO A 71 1.402 15.984 -17.902 1.00 0.00 C ATOM 1105 O PRO A 71 1.794 16.205 -19.047 1.00 0.00 O ATOM 1106 CB PRO A 71 0.000 18.096 -18.110 1.00 0.00 C ATOM 1107 CG PRO A 71 0.757 19.283 -17.537 1.00 0.00 C ATOM 1108 CD PRO A 71 1.276 18.886 -16.165 1.00 0.00 C ATOM 0 HA PRO A 71 -0.495 16.269 -17.067 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.275 17.923 -19.150 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.075 18.272 -18.090 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.583 19.561 -18.192 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.104 20.152 -17.461 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.356 19.016 -16.097 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.831 19.499 -15.381 1.00 0.00 H new ATOM 1116 N ARG A 72 1.809 14.971 -17.151 1.00 0.00 N ATOM 1117 CA ARG A 72 2.785 14.016 -17.648 1.00 0.00 C ATOM 1118 C ARG A 72 2.554 12.643 -17.014 1.00 0.00 C ATOM 1119 O ARG A 72 2.563 11.626 -17.707 1.00 0.00 O ATOM 1120 CB ARG A 72 4.212 14.477 -17.345 1.00 0.00 C ATOM 1121 CG ARG A 72 5.205 13.881 -18.344 1.00 0.00 C ATOM 1122 CD ARG A 72 5.898 14.981 -19.151 1.00 0.00 C ATOM 1123 NE ARG A 72 7.366 14.863 -19.010 1.00 0.00 N ATOM 1124 CZ ARG A 72 8.248 15.381 -19.876 1.00 0.00 C ATOM 1125 NH1 ARG A 72 7.815 16.054 -20.951 1.00 0.00 N ATOM 1126 NH2 ARG A 72 9.562 15.225 -19.668 1.00 0.00 N ATOM 0 H ARG A 72 1.481 14.791 -16.202 1.00 0.00 H new ATOM 0 HA ARG A 72 2.660 13.947 -18.729 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.262 15.565 -17.383 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.487 14.180 -16.333 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.951 13.290 -17.812 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.684 13.203 -19.020 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.618 14.904 -20.202 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.569 15.960 -18.804 1.00 0.00 H new ATOM 0 HE ARG A 72 7.730 14.356 -18.203 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.814 16.172 -21.110 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.486 16.448 -21.610 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.892 14.712 -18.850 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.233 15.619 -20.327 1.00 0.00 H new ATOM 1140 N ALA A 73 2.351 12.657 -15.705 1.00 0.00 N ATOM 1141 CA ALA A 73 2.118 11.426 -14.970 1.00 0.00 C ATOM 1142 C ALA A 73 1.198 10.516 -15.787 1.00 0.00 C ATOM 1143 O ALA A 73 0.487 10.983 -16.675 1.00 0.00 O ATOM 1144 CB ALA A 73 1.540 11.755 -13.592 1.00 0.00 C ATOM 0 H ALA A 73 2.343 13.502 -15.134 1.00 0.00 H new ATOM 0 HA ALA A 73 3.054 10.891 -14.811 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.365 10.831 -13.041 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.244 12.378 -13.041 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.598 12.290 -13.711 1.00 0.00 H new ATOM 1150 N VAL A 74 1.243 9.233 -15.457 1.00 0.00 N ATOM 1151 CA VAL A 74 0.422 8.254 -16.148 1.00 0.00 C ATOM 1152 C VAL A 74 -0.470 7.535 -15.134 1.00 0.00 C ATOM 1153 O VAL A 74 -0.464 6.307 -15.058 1.00 0.00 O ATOM 1154 CB VAL A 74 1.310 7.298 -16.948 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.357 6.641 -16.047 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.469 6.244 -17.671 1.00 0.00 C ATOM 0 H VAL A 74 1.835 8.850 -14.720 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.234 8.745 -16.867 1.00 0.00 H new ATOM 0 HB VAL A 74 1.836 7.882 -17.703 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.975 5.966 -16.639 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.986 7.410 -15.599 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.857 6.077 -15.259 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.124 5.578 -18.232 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.097 5.666 -16.940 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.221 6.736 -18.357 1.00 0.00 H new ATOM 1166 N ASN A 75 -1.214 8.330 -14.380 1.00 0.00 N ATOM 1167 CA ASN A 75 -2.109 7.784 -13.374 1.00 0.00 C ATOM 1168 C ASN A 75 -2.774 6.519 -13.920 1.00 0.00 C ATOM 1169 O ASN A 75 -3.733 6.599 -14.685 1.00 0.00 O ATOM 1170 CB ASN A 75 -3.213 8.782 -13.019 1.00 0.00 C ATOM 1171 CG ASN A 75 -3.881 9.333 -14.281 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -3.446 9.099 -15.396 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -4.958 10.075 -14.043 1.00 0.00 N ATOM 0 H ASN A 75 -1.216 9.348 -14.445 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.520 7.565 -12.483 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.959 8.296 -12.391 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.793 9.603 -12.438 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.474 10.488 -14.820 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.268 10.231 -13.084 1.00 0.00 H new ATOM 1180 N ALA A 76 -2.237 5.381 -13.506 1.00 0.00 N ATOM 1181 CA ALA A 76 -2.766 4.101 -13.944 1.00 0.00 C ATOM 1182 C ALA A 76 -4.010 3.759 -13.123 1.00 0.00 C ATOM 1183 O ALA A 76 -4.808 2.912 -13.520 1.00 0.00 O ATOM 1184 CB ALA A 76 -1.678 3.031 -13.826 1.00 0.00 C ATOM 0 H ALA A 76 -1.441 5.319 -12.872 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.065 4.149 -14.991 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.075 2.071 -14.155 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.828 3.306 -14.451 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.355 2.954 -12.788 1.00 0.00 H new ATOM 1190 N CYS A 77 -4.138 4.437 -11.991 1.00 0.00 N ATOM 1191 CA CYS A 77 -5.272 4.217 -11.110 1.00 0.00 C ATOM 1192 C CYS A 77 -6.397 5.166 -11.528 1.00 0.00 C ATOM 1193 O CYS A 77 -7.574 4.830 -11.409 1.00 0.00 O ATOM 1194 CB CYS A 77 -4.889 4.397 -9.640 1.00 0.00 C ATOM 1195 SG CYS A 77 -5.852 3.376 -8.465 1.00 0.00 S ATOM 0 H CYS A 77 -3.474 5.139 -11.664 1.00 0.00 H new ATOM 0 HA CYS A 77 -5.615 3.187 -11.204 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.831 4.160 -9.523 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.012 5.447 -9.373 1.00 0.00 H new ATOM 1200 N GLY A 78 -5.994 6.333 -12.009 1.00 0.00 N ATOM 1201 CA GLY A 78 -6.954 7.333 -12.446 1.00 0.00 C ATOM 1202 C GLY A 78 -7.783 7.848 -11.268 1.00 0.00 C ATOM 1203 O GLY A 78 -9.012 7.825 -11.312 1.00 0.00 O ATOM 0 H GLY A 78 -5.017 6.608 -12.106 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.430 8.164 -12.917 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.614 6.904 -13.200 1.00 0.00 H new ATOM 1207 N ILE A 79 -7.078 8.300 -10.241 1.00 0.00 N ATOM 1208 CA ILE A 79 -7.734 8.819 -9.053 1.00 0.00 C ATOM 1209 C ILE A 79 -6.837 9.874 -8.401 1.00 0.00 C ATOM 1210 O ILE A 79 -5.645 9.947 -8.694 1.00 0.00 O ATOM 1211 CB ILE A 79 -8.123 7.677 -8.113 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -7.064 7.475 -7.027 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -8.393 6.390 -8.896 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -5.757 6.953 -7.627 1.00 0.00 C ATOM 0 H ILE A 79 -6.059 8.317 -10.207 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.668 9.314 -9.319 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.051 7.950 -7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.881 8.418 -6.512 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.433 6.771 -6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.668 5.594 -8.204 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.209 6.556 -9.600 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.495 6.102 -9.443 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.021 6.818 -6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.939 5.998 -8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.379 7.671 -8.355 1.00 0.00 H new ATOM 1226 N ASN A 80 -7.446 10.664 -7.529 1.00 0.00 N ATOM 1227 CA ASN A 80 -6.718 11.711 -6.833 1.00 0.00 C ATOM 1228 C ASN A 80 -5.849 11.083 -5.741 1.00 0.00 C ATOM 1229 O ASN A 80 -6.353 10.368 -4.877 1.00 0.00 O ATOM 1230 CB ASN A 80 -7.677 12.698 -6.164 1.00 0.00 C ATOM 1231 CG ASN A 80 -7.671 14.045 -6.888 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -7.168 14.184 -7.992 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -8.255 15.028 -6.209 1.00 0.00 N ATOM 0 H ASN A 80 -8.435 10.600 -7.289 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.108 12.240 -7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.686 12.286 -6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.390 12.840 -5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.301 15.966 -6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.656 14.844 -5.290 1.00 0.00 H new ATOM 1240 N CYS A 81 -4.558 11.373 -5.817 1.00 0.00 N ATOM 1241 CA CYS A 81 -3.615 10.845 -4.846 1.00 0.00 C ATOM 1242 C CYS A 81 -4.160 11.126 -3.445 1.00 0.00 C ATOM 1243 O CYS A 81 -3.941 10.344 -2.521 1.00 0.00 O ATOM 1244 CB CYS A 81 -2.215 11.431 -5.042 1.00 0.00 C ATOM 1245 SG CYS A 81 -1.545 11.269 -6.738 1.00 0.00 S ATOM 0 H CYS A 81 -4.143 11.966 -6.536 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.510 9.769 -4.984 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -2.238 12.488 -4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -1.531 10.942 -4.348 1.00 0.00 H new ATOM 1250 N SER A 82 -4.859 12.246 -3.330 1.00 0.00 N ATOM 1251 CA SER A 82 -5.437 12.640 -2.056 1.00 0.00 C ATOM 1252 C SER A 82 -6.382 11.548 -1.550 1.00 0.00 C ATOM 1253 O SER A 82 -6.513 11.345 -0.344 1.00 0.00 O ATOM 1254 CB SER A 82 -6.181 13.971 -2.177 1.00 0.00 C ATOM 1255 OG SER A 82 -6.603 14.464 -0.909 1.00 0.00 O ATOM 0 H SER A 82 -5.038 12.893 -4.098 1.00 0.00 H new ATOM 0 HA SER A 82 -4.627 12.771 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.533 14.706 -2.654 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.049 13.843 -2.824 1.00 0.00 H new ATOM 0 HG SER A 82 -7.073 15.316 -1.029 1.00 0.00 H new ATOM 1261 N ALA A 83 -7.016 10.873 -2.498 1.00 0.00 N ATOM 1262 CA ALA A 83 -7.945 9.807 -2.163 1.00 0.00 C ATOM 1263 C ALA A 83 -7.217 8.741 -1.342 1.00 0.00 C ATOM 1264 O ALA A 83 -7.852 7.929 -0.670 1.00 0.00 O ATOM 1265 CB ALA A 83 -8.554 9.239 -3.447 1.00 0.00 C ATOM 0 H ALA A 83 -6.905 11.044 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.764 10.189 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.251 8.439 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.084 10.029 -3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.761 8.843 -4.082 1.00 0.00 H new ATOM 1271 N LEU A 84 -5.895 8.778 -1.422 1.00 0.00 N ATOM 1272 CA LEU A 84 -5.074 7.826 -0.694 1.00 0.00 C ATOM 1273 C LEU A 84 -4.539 8.487 0.578 1.00 0.00 C ATOM 1274 O LEU A 84 -3.660 7.942 1.243 1.00 0.00 O ATOM 1275 CB LEU A 84 -3.978 7.260 -1.600 1.00 0.00 C ATOM 1276 CG LEU A 84 -4.448 6.664 -2.929 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -3.624 7.210 -4.097 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -4.431 5.135 -2.880 1.00 0.00 C ATOM 0 H LEU A 84 -5.372 9.453 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.672 6.970 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.264 8.055 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.441 6.489 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.481 6.969 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.979 6.770 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.731 8.294 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.574 6.955 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.769 4.737 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.417 4.789 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.095 4.789 -2.088 1.00 0.00 H new ATOM 1290 N LEU A 85 -5.093 9.653 0.878 1.00 0.00 N ATOM 1291 CA LEU A 85 -4.683 10.394 2.058 1.00 0.00 C ATOM 1292 C LEU A 85 -5.910 10.683 2.926 1.00 0.00 C ATOM 1293 O LEU A 85 -5.889 11.593 3.753 1.00 0.00 O ATOM 1294 CB LEU A 85 -3.903 11.649 1.659 1.00 0.00 C ATOM 1295 CG LEU A 85 -2.521 11.810 2.295 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -1.413 11.579 1.266 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -2.390 13.170 2.983 1.00 0.00 C ATOM 0 H LEU A 85 -5.822 10.102 0.324 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.998 9.799 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.785 11.650 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.503 12.522 1.915 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.408 11.047 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.441 11.700 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.496 10.570 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.511 12.303 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.399 13.259 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.532 13.964 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.146 13.257 3.763 1.00 0.00 H new ATOM 1309 N GLN A 86 -6.949 9.891 2.707 1.00 0.00 N ATOM 1310 CA GLN A 86 -8.182 10.050 3.458 1.00 0.00 C ATOM 1311 C GLN A 86 -8.153 9.180 4.717 1.00 0.00 C ATOM 1312 O GLN A 86 -7.090 8.728 5.139 1.00 0.00 O ATOM 1313 CB GLN A 86 -9.399 9.720 2.591 1.00 0.00 C ATOM 1314 CG GLN A 86 -9.298 10.398 1.224 1.00 0.00 C ATOM 1315 CD GLN A 86 -10.629 11.045 0.833 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -11.697 10.480 1.002 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -10.506 12.259 0.303 1.00 0.00 N ATOM 0 H GLN A 86 -6.962 9.137 2.020 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.267 11.093 3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.475 8.640 2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.309 10.045 3.096 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.514 11.155 1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.011 9.664 0.471 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.581 12.675 0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.336 12.774 0.010 1.00 0.00 H new ATOM 1326 N ASP A 87 -9.334 8.972 5.281 1.00 0.00 N ATOM 1327 CA ASP A 87 -9.457 8.164 6.482 1.00 0.00 C ATOM 1328 C ASP A 87 -9.614 6.694 6.090 1.00 0.00 C ATOM 1329 O ASP A 87 -8.895 5.833 6.593 1.00 0.00 O ATOM 1330 CB ASP A 87 -10.688 8.571 7.295 1.00 0.00 C ATOM 1331 CG ASP A 87 -11.210 7.501 8.256 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -10.517 7.259 9.268 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -12.291 6.949 7.957 1.00 0.00 O ATOM 0 H ASP A 87 -10.214 9.349 4.928 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.561 8.315 7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.447 9.466 7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.488 8.840 6.605 1.00 0.00 H new ATOM 1338 N ASP A 88 -10.560 6.452 5.194 1.00 0.00 N ATOM 1339 CA ASP A 88 -10.821 5.101 4.728 1.00 0.00 C ATOM 1340 C ASP A 88 -9.740 4.695 3.724 1.00 0.00 C ATOM 1341 O ASP A 88 -9.421 5.452 2.809 1.00 0.00 O ATOM 1342 CB ASP A 88 -12.177 5.013 4.024 1.00 0.00 C ATOM 1343 CG ASP A 88 -13.365 5.519 4.844 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -13.761 4.791 5.780 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -13.851 6.624 4.517 1.00 0.00 O ATOM 0 H ASP A 88 -11.155 7.169 4.779 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.821 4.440 5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.126 5.583 3.097 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.360 3.974 3.750 1.00 0.00 H new ATOM 1350 N ILE A 89 -9.207 3.499 3.929 1.00 0.00 N ATOM 1351 CA ILE A 89 -8.168 2.983 3.053 1.00 0.00 C ATOM 1352 C ILE A 89 -8.817 2.315 1.839 1.00 0.00 C ATOM 1353 O ILE A 89 -8.124 1.761 0.987 1.00 0.00 O ATOM 1354 CB ILE A 89 -7.221 2.065 3.828 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -7.952 0.814 4.322 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -6.539 2.819 4.972 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -6.982 -0.356 4.492 1.00 0.00 C ATOM 0 H ILE A 89 -9.475 2.873 4.688 1.00 0.00 H new ATOM 0 HA ILE A 89 -7.548 3.796 2.676 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.436 1.733 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.442 1.026 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.735 0.542 3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.871 2.143 5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.964 3.652 4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.295 3.200 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.527 -1.232 4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.512 -0.581 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.215 -0.090 5.219 1.00 0.00 H new ATOM 1369 N THR A 90 -10.139 2.388 1.799 1.00 0.00 N ATOM 1370 CA THR A 90 -10.889 1.797 0.704 1.00 0.00 C ATOM 1371 C THR A 90 -10.215 2.111 -0.634 1.00 0.00 C ATOM 1372 O THR A 90 -10.190 1.271 -1.532 1.00 0.00 O ATOM 1373 CB THR A 90 -12.330 2.302 0.791 1.00 0.00 C ATOM 1374 OG1 THR A 90 -13.093 1.129 1.063 1.00 0.00 O ATOM 1375 CG2 THR A 90 -12.863 2.789 -0.558 1.00 0.00 C ATOM 0 H THR A 90 -10.710 2.848 2.508 1.00 0.00 H new ATOM 0 HA THR A 90 -10.906 0.710 0.777 1.00 0.00 H new ATOM 0 HB THR A 90 -12.387 3.113 1.517 1.00 0.00 H new ATOM 0 HG1 THR A 90 -14.041 1.365 1.137 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.889 3.136 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.242 3.608 -0.920 1.00 0.00 H new ATOM 0 HG23 THR A 90 -12.838 1.970 -1.276 1.00 0.00 H new ATOM 1383 N ALA A 91 -9.685 3.322 -0.723 1.00 0.00 N ATOM 1384 CA ALA A 91 -9.012 3.756 -1.936 1.00 0.00 C ATOM 1385 C ALA A 91 -7.649 3.068 -2.033 1.00 0.00 C ATOM 1386 O ALA A 91 -7.227 2.670 -3.117 1.00 0.00 O ATOM 1387 CB ALA A 91 -8.897 5.282 -1.937 1.00 0.00 C ATOM 0 H ALA A 91 -9.708 4.016 0.024 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.587 3.471 -2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.392 5.608 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.893 5.722 -1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.323 5.604 -1.068 1.00 0.00 H new ATOM 1393 N ALA A 92 -6.999 2.949 -0.885 1.00 0.00 N ATOM 1394 CA ALA A 92 -5.693 2.315 -0.826 1.00 0.00 C ATOM 1395 C ALA A 92 -5.818 0.856 -1.269 1.00 0.00 C ATOM 1396 O ALA A 92 -4.954 0.342 -1.978 1.00 0.00 O ATOM 1397 CB ALA A 92 -5.123 2.449 0.587 1.00 0.00 C ATOM 0 H ALA A 92 -7.353 3.281 0.012 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.997 2.807 -1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.143 1.973 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.026 3.504 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.793 1.965 1.297 1.00 0.00 H new ATOM 1403 N ILE A 93 -6.901 0.229 -0.832 1.00 0.00 N ATOM 1404 CA ILE A 93 -7.150 -1.161 -1.174 1.00 0.00 C ATOM 1405 C ILE A 93 -7.572 -1.252 -2.642 1.00 0.00 C ATOM 1406 O ILE A 93 -7.013 -2.040 -3.403 1.00 0.00 O ATOM 1407 CB ILE A 93 -8.160 -1.778 -0.204 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -7.799 -1.451 1.246 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -8.292 -3.285 -0.436 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -8.710 -2.199 2.221 1.00 0.00 C ATOM 0 H ILE A 93 -7.616 0.658 -0.244 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.239 -1.750 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 93 -9.136 -1.335 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.760 -1.720 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.886 -0.377 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.016 -3.699 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.630 -3.468 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -7.324 -3.763 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.431 -1.948 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.746 -1.910 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.602 -3.273 2.068 1.00 0.00 H new ATOM 1422 N GLN A 94 -8.553 -0.436 -2.994 1.00 0.00 N ATOM 1423 CA GLN A 94 -9.056 -0.415 -4.358 1.00 0.00 C ATOM 1424 C GLN A 94 -7.918 -0.129 -5.339 1.00 0.00 C ATOM 1425 O GLN A 94 -7.778 -0.816 -6.350 1.00 0.00 O ATOM 1426 CB GLN A 94 -10.182 0.610 -4.511 1.00 0.00 C ATOM 1427 CG GLN A 94 -11.034 0.307 -5.745 1.00 0.00 C ATOM 1428 CD GLN A 94 -11.078 1.510 -6.690 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -10.192 1.729 -7.500 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -12.155 2.276 -6.541 1.00 0.00 N ATOM 0 H GLN A 94 -9.014 0.216 -2.359 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.469 -1.397 -4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -10.810 0.602 -3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -9.759 1.611 -4.594 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -10.626 -0.557 -6.269 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -12.046 0.045 -5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -12.859 2.036 -5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -12.277 3.104 -7.124 1.00 0.00 H new ATOM 1439 N CYS A 95 -7.133 0.885 -5.006 1.00 0.00 N ATOM 1440 CA CYS A 95 -6.011 1.270 -5.846 1.00 0.00 C ATOM 1441 C CYS A 95 -4.958 0.162 -5.778 1.00 0.00 C ATOM 1442 O CYS A 95 -4.413 -0.246 -6.802 1.00 0.00 O ATOM 1443 CB CYS A 95 -5.437 2.628 -5.436 1.00 0.00 C ATOM 1444 SG CYS A 95 -4.676 3.582 -6.799 1.00 0.00 S ATOM 0 H CYS A 95 -7.251 1.452 -4.166 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.348 1.388 -6.876 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.235 3.225 -4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.689 2.471 -4.659 1.00 0.00 H new ATOM 1449 N ALA A 96 -4.703 -0.294 -4.560 1.00 0.00 N ATOM 1450 CA ALA A 96 -3.725 -1.347 -4.345 1.00 0.00 C ATOM 1451 C ALA A 96 -3.997 -2.497 -5.317 1.00 0.00 C ATOM 1452 O ALA A 96 -3.084 -2.979 -5.986 1.00 0.00 O ATOM 1453 CB ALA A 96 -3.771 -1.797 -2.883 1.00 0.00 C ATOM 0 H ALA A 96 -5.157 0.046 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.718 -0.980 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.037 -2.587 -2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.542 -0.951 -2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.767 -2.174 -2.649 1.00 0.00 H new ATOM 1459 N LYS A 97 -5.257 -2.903 -5.365 1.00 0.00 N ATOM 1460 CA LYS A 97 -5.661 -3.987 -6.244 1.00 0.00 C ATOM 1461 C LYS A 97 -5.601 -3.510 -7.696 1.00 0.00 C ATOM 1462 O LYS A 97 -5.137 -4.236 -8.574 1.00 0.00 O ATOM 1463 CB LYS A 97 -7.031 -4.530 -5.831 1.00 0.00 C ATOM 1464 CG LYS A 97 -8.115 -3.462 -5.993 1.00 0.00 C ATOM 1465 CD LYS A 97 -9.509 -4.092 -5.995 1.00 0.00 C ATOM 1466 CE LYS A 97 -10.316 -3.643 -4.775 1.00 0.00 C ATOM 1467 NZ LYS A 97 -11.247 -4.711 -4.347 1.00 0.00 N ATOM 0 H LYS A 97 -6.012 -2.501 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.971 -4.826 -6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.279 -5.401 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.996 -4.864 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.041 -2.737 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.957 -2.917 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.037 -3.813 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.421 -5.178 -5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.640 -3.392 -3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.876 -2.739 -5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.787 -4.390 -3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.903 -4.931 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.706 -5.564 -4.098 1.00 0.00 H new ATOM 1481 N ARG A 98 -6.077 -2.291 -7.905 1.00 0.00 N ATOM 1482 CA ARG A 98 -6.083 -1.707 -9.236 1.00 0.00 C ATOM 1483 C ARG A 98 -4.653 -1.577 -9.765 1.00 0.00 C ATOM 1484 O ARG A 98 -4.439 -1.503 -10.974 1.00 0.00 O ATOM 1485 CB ARG A 98 -6.745 -0.328 -9.230 1.00 0.00 C ATOM 1486 CG ARG A 98 -6.942 0.192 -10.655 1.00 0.00 C ATOM 1487 CD ARG A 98 -8.066 -0.565 -11.365 1.00 0.00 C ATOM 1488 NE ARG A 98 -8.827 0.359 -12.235 1.00 0.00 N ATOM 1489 CZ ARG A 98 -9.729 -0.037 -13.144 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -9.988 -1.341 -13.307 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -10.372 0.872 -13.890 1.00 0.00 N ATOM 0 H ARG A 98 -6.461 -1.692 -7.175 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.656 -2.369 -9.886 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.709 -0.385 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.129 0.372 -8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.176 1.256 -10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.014 0.084 -11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.649 -1.378 -11.960 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.732 -1.017 -10.630 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.654 1.359 -12.137 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.499 -2.033 -12.739 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.674 -1.642 -13.999 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.175 1.865 -13.766 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.058 0.571 -14.582 1.00 0.00 H new ATOM 1505 N VAL A 99 -3.712 -1.553 -8.833 1.00 0.00 N ATOM 1506 CA VAL A 99 -2.308 -1.432 -9.190 1.00 0.00 C ATOM 1507 C VAL A 99 -1.725 -2.827 -9.427 1.00 0.00 C ATOM 1508 O VAL A 99 -1.198 -3.109 -10.502 1.00 0.00 O ATOM 1509 CB VAL A 99 -1.559 -0.646 -8.112 1.00 0.00 C ATOM 1510 CG1 VAL A 99 -0.046 -0.738 -8.318 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -2.021 0.812 -8.076 1.00 0.00 C ATOM 0 H VAL A 99 -3.894 -1.615 -7.831 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.197 -0.871 -10.118 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.793 -1.095 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.463 -0.171 -7.538 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.265 -1.782 -8.269 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.214 -0.327 -9.294 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.473 1.348 -7.301 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.831 1.278 -9.043 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.088 0.850 -7.858 1.00 0.00 H new ATOM 1521 N VAL A 100 -1.840 -3.663 -8.405 1.00 0.00 N ATOM 1522 CA VAL A 100 -1.330 -5.021 -8.488 1.00 0.00 C ATOM 1523 C VAL A 100 -1.975 -5.730 -9.681 1.00 0.00 C ATOM 1524 O VAL A 100 -1.390 -6.650 -10.250 1.00 0.00 O ATOM 1525 CB VAL A 100 -1.562 -5.749 -7.163 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -1.523 -7.266 -7.356 1.00 0.00 C ATOM 1527 CG2 VAL A 100 -0.547 -5.304 -6.108 1.00 0.00 C ATOM 0 H VAL A 100 -2.279 -3.426 -7.515 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.253 -5.016 -8.656 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.556 -5.483 -6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.691 -7.759 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.301 -7.564 -8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.549 -7.558 -7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.734 -5.837 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.461 -5.526 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.644 -4.232 -5.939 1.00 0.00 H new ATOM 1537 N ARG A 101 -3.171 -5.275 -10.023 1.00 0.00 N ATOM 1538 CA ARG A 101 -3.902 -5.855 -11.138 1.00 0.00 C ATOM 1539 C ARG A 101 -3.033 -5.858 -12.397 1.00 0.00 C ATOM 1540 O ARG A 101 -3.304 -6.600 -13.340 1.00 0.00 O ATOM 1541 CB ARG A 101 -5.189 -5.077 -11.416 1.00 0.00 C ATOM 1542 CG ARG A 101 -6.418 -5.975 -11.257 1.00 0.00 C ATOM 1543 CD ARG A 101 -7.518 -5.265 -10.466 1.00 0.00 C ATOM 1544 NE ARG A 101 -8.716 -5.084 -11.315 1.00 0.00 N ATOM 1545 CZ ARG A 101 -9.463 -6.092 -11.785 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -9.140 -7.359 -11.490 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -10.534 -5.834 -12.548 1.00 0.00 N ATOM 0 H ARG A 101 -3.653 -4.512 -9.548 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.161 -6.879 -10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.262 -4.231 -10.733 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -5.161 -4.669 -12.426 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.796 -6.257 -12.240 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.136 -6.896 -10.748 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.774 -5.847 -9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.159 -4.296 -10.118 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.990 -4.132 -11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.326 -7.555 -10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.708 -8.127 -11.848 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -10.781 -4.870 -12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -11.102 -6.602 -12.906 1.00 0.00 H new ATOM 1561 N ASP A 102 -2.007 -5.020 -12.372 1.00 0.00 N ATOM 1562 CA ASP A 102 -1.097 -4.917 -13.500 1.00 0.00 C ATOM 1563 C ASP A 102 -0.106 -6.083 -13.459 1.00 0.00 C ATOM 1564 O ASP A 102 -0.126 -6.886 -12.528 1.00 0.00 O ATOM 1565 CB ASP A 102 -0.297 -3.615 -13.445 1.00 0.00 C ATOM 1566 CG ASP A 102 -0.518 -2.669 -14.628 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -1.554 -2.842 -15.306 1.00 0.00 O ATOM 1568 OD2 ASP A 102 0.354 -1.796 -14.827 1.00 0.00 O ATOM 0 H ASP A 102 -1.786 -4.406 -11.588 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.690 -4.938 -14.414 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.552 -3.088 -12.525 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.764 -3.860 -13.388 1.00 0.00 H new ATOM 1573 N PRO A 103 0.759 -6.139 -14.507 1.00 0.00 N ATOM 1574 CA PRO A 103 1.755 -7.192 -14.599 1.00 0.00 C ATOM 1575 C PRO A 103 2.904 -6.948 -13.618 1.00 0.00 C ATOM 1576 O PRO A 103 3.860 -7.721 -13.571 1.00 0.00 O ATOM 1577 CB PRO A 103 2.202 -7.185 -16.052 1.00 0.00 C ATOM 1578 CG PRO A 103 1.787 -5.833 -16.609 1.00 0.00 C ATOM 1579 CD PRO A 103 0.811 -5.204 -15.627 1.00 0.00 C ATOM 0 HA PRO A 103 1.360 -8.170 -14.323 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.280 -7.325 -16.130 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.734 -7.997 -16.609 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.658 -5.192 -16.745 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.322 -5.950 -17.588 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.151 -4.220 -15.306 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.173 -5.070 -16.077 1.00 0.00 H new ATOM 1587 N GLN A 104 2.773 -5.870 -12.860 1.00 0.00 N ATOM 1588 CA GLN A 104 3.788 -5.514 -11.883 1.00 0.00 C ATOM 1589 C GLN A 104 3.785 -6.514 -10.725 1.00 0.00 C ATOM 1590 O GLN A 104 4.766 -7.225 -10.512 1.00 0.00 O ATOM 1591 CB GLN A 104 3.582 -4.086 -11.374 1.00 0.00 C ATOM 1592 CG GLN A 104 3.479 -3.098 -12.538 1.00 0.00 C ATOM 1593 CD GLN A 104 4.788 -2.327 -12.721 1.00 0.00 C ATOM 1594 OE1 GLN A 104 5.764 -2.535 -12.019 1.00 0.00 O ATOM 1595 NE2 GLN A 104 4.754 -1.427 -13.699 1.00 0.00 N ATOM 0 H GLN A 104 1.979 -5.231 -12.902 1.00 0.00 H new ATOM 0 HA GLN A 104 4.762 -5.555 -12.370 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.675 -4.038 -10.771 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.412 -3.804 -10.725 1.00 0.00 H new ATOM 0 HG2 GLN A 104 3.238 -3.635 -13.455 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.663 -2.398 -12.355 1.00 0.00 H new ATOM 0 HE21 GLN A 104 3.904 -1.303 -14.249 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.578 -0.860 -13.899 1.00 0.00 H new ATOM 1604 N GLY A 105 2.671 -6.537 -10.008 1.00 0.00 N ATOM 1605 CA GLY A 105 2.528 -7.438 -8.877 1.00 0.00 C ATOM 1606 C GLY A 105 3.225 -6.877 -7.637 1.00 0.00 C ATOM 1607 O GLY A 105 4.052 -5.972 -7.741 1.00 0.00 O ATOM 0 H GLY A 105 1.859 -5.946 -10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.471 -7.595 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.951 -8.411 -9.127 1.00 0.00 H new ATOM 1611 N ILE A 106 2.867 -7.437 -6.491 1.00 0.00 N ATOM 1612 CA ILE A 106 3.448 -7.004 -5.232 1.00 0.00 C ATOM 1613 C ILE A 106 4.940 -6.730 -5.431 1.00 0.00 C ATOM 1614 O ILE A 106 5.509 -5.863 -4.770 1.00 0.00 O ATOM 1615 CB ILE A 106 3.151 -8.020 -4.127 1.00 0.00 C ATOM 1616 CG1 ILE A 106 1.739 -7.828 -3.569 1.00 0.00 C ATOM 1617 CG2 ILE A 106 4.214 -7.962 -3.028 1.00 0.00 C ATOM 1618 CD1 ILE A 106 1.690 -6.646 -2.598 1.00 0.00 C ATOM 0 H ILE A 106 2.181 -8.187 -6.408 1.00 0.00 H new ATOM 0 HA ILE A 106 2.993 -6.069 -4.904 1.00 0.00 H new ATOM 0 HB ILE A 106 3.192 -9.018 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.040 -7.660 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.419 -8.736 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.979 -8.694 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.191 -8.186 -3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.230 -6.964 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.676 -6.531 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.372 -6.829 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.987 -5.735 -3.118 1.00 0.00 H new ATOM 1630 N ARG A 107 5.531 -7.487 -6.344 1.00 0.00 N ATOM 1631 CA ARG A 107 6.946 -7.336 -6.639 1.00 0.00 C ATOM 1632 C ARG A 107 7.340 -5.858 -6.608 1.00 0.00 C ATOM 1633 O ARG A 107 8.420 -5.510 -6.133 1.00 0.00 O ATOM 1634 CB ARG A 107 7.288 -7.919 -8.011 1.00 0.00 C ATOM 1635 CG ARG A 107 8.771 -8.283 -8.098 1.00 0.00 C ATOM 1636 CD ARG A 107 9.045 -9.633 -7.431 1.00 0.00 C ATOM 1637 NE ARG A 107 10.441 -10.050 -7.687 1.00 0.00 N ATOM 1638 CZ ARG A 107 10.903 -11.291 -7.484 1.00 0.00 C ATOM 1639 NH1 ARG A 107 10.084 -12.244 -7.019 1.00 0.00 N ATOM 1640 NH2 ARG A 107 12.186 -11.580 -7.744 1.00 0.00 N ATOM 0 H ARG A 107 5.056 -8.206 -6.889 1.00 0.00 H new ATOM 0 HA ARG A 107 7.503 -7.880 -5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.681 -8.805 -8.195 1.00 0.00 H new ATOM 0 HB3 ARG A 107 7.041 -7.197 -8.789 1.00 0.00 H new ATOM 0 HG2 ARG A 107 9.079 -8.321 -9.143 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.368 -7.508 -7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 107 8.870 -9.560 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 107 8.356 -10.385 -7.816 1.00 0.00 H new ATOM 0 HE ARG A 107 11.092 -9.349 -8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 107 9.108 -12.025 -6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 107 10.436 -13.189 -6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 107 12.811 -10.855 -8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 107 12.537 -12.525 -7.589 1.00 0.00 H new ATOM 1654 N ALA A 108 6.443 -5.028 -7.119 1.00 0.00 N ATOM 1655 CA ALA A 108 6.684 -3.596 -7.156 1.00 0.00 C ATOM 1656 C ALA A 108 7.335 -3.159 -5.842 1.00 0.00 C ATOM 1657 O ALA A 108 8.197 -2.282 -5.834 1.00 0.00 O ATOM 1658 CB ALA A 108 5.368 -2.863 -7.427 1.00 0.00 C ATOM 0 H ALA A 108 5.548 -5.320 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 108 7.370 -3.343 -7.964 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.549 -1.788 -7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.961 -3.187 -8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.655 -3.090 -6.635 1.00 0.00 H new ATOM 1664 N TRP A 109 6.897 -3.791 -4.763 1.00 0.00 N ATOM 1665 CA TRP A 109 7.426 -3.478 -3.446 1.00 0.00 C ATOM 1666 C TRP A 109 8.563 -4.458 -3.149 1.00 0.00 C ATOM 1667 O TRP A 109 8.499 -5.212 -2.179 1.00 0.00 O ATOM 1668 CB TRP A 109 6.320 -3.507 -2.390 1.00 0.00 C ATOM 1669 CG TRP A 109 5.251 -2.429 -2.578 1.00 0.00 C ATOM 1670 CD1 TRP A 109 5.294 -1.147 -2.189 1.00 0.00 C ATOM 1671 CD2 TRP A 109 3.970 -2.592 -3.223 1.00 0.00 C ATOM 1672 NE1 TRP A 109 4.139 -0.475 -2.535 1.00 0.00 N ATOM 1673 CE2 TRP A 109 3.309 -1.381 -3.183 1.00 0.00 C ATOM 1674 CE3 TRP A 109 3.390 -3.724 -3.820 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 2.032 -1.187 -3.724 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 2.113 -3.514 -4.356 1.00 0.00 C ATOM 1677 CH2 TRP A 109 1.434 -2.302 -4.324 1.00 0.00 C ATOM 0 H TRP A 109 6.182 -4.518 -4.774 1.00 0.00 H new ATOM 0 HA TRP A 109 7.825 -2.464 -3.421 1.00 0.00 H new ATOM 0 HB2 TRP A 109 5.841 -4.486 -2.407 1.00 0.00 H new ATOM 0 HB3 TRP A 109 6.770 -3.390 -1.404 1.00 0.00 H new ATOM 0 HD1 TRP A 109 6.127 -0.697 -1.670 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.933 0.506 -2.349 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.889 -4.681 -3.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 1.535 -0.229 -3.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 1.622 -4.353 -4.827 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.449 -2.220 -4.760 1.00 0.00 H new ATOM 1688 N VAL A 110 9.577 -4.415 -4.001 1.00 0.00 N ATOM 1689 CA VAL A 110 10.726 -5.290 -3.841 1.00 0.00 C ATOM 1690 C VAL A 110 11.120 -5.343 -2.364 1.00 0.00 C ATOM 1691 O VAL A 110 11.679 -6.336 -1.902 1.00 0.00 O ATOM 1692 CB VAL A 110 11.867 -4.826 -4.749 1.00 0.00 C ATOM 1693 CG1 VAL A 110 12.353 -3.432 -4.348 1.00 0.00 C ATOM 1694 CG2 VAL A 110 13.019 -5.833 -4.739 1.00 0.00 C ATOM 0 H VAL A 110 9.627 -3.788 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 110 10.478 -6.306 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 110 11.483 -4.767 -5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.164 -3.125 -5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 110 11.530 -2.722 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 110 12.712 -3.454 -3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 110 13.817 -5.480 -5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.401 -5.939 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.661 -6.799 -5.094 1.00 0.00 H new ATOM 1704 N ALA A 111 10.814 -4.260 -1.664 1.00 0.00 N ATOM 1705 CA ALA A 111 11.129 -4.170 -0.248 1.00 0.00 C ATOM 1706 C ALA A 111 10.667 -5.448 0.455 1.00 0.00 C ATOM 1707 O ALA A 111 11.430 -6.062 1.200 1.00 0.00 O ATOM 1708 CB ALA A 111 10.483 -2.915 0.340 1.00 0.00 C ATOM 0 H ALA A 111 10.351 -3.438 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 111 12.205 -4.083 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 111 10.719 -2.848 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 111 10.867 -2.034 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.402 -2.968 0.212 1.00 0.00 H new ATOM 1714 N TRP A 112 9.420 -5.811 0.193 1.00 0.00 N ATOM 1715 CA TRP A 112 8.847 -7.005 0.792 1.00 0.00 C ATOM 1716 C TRP A 112 9.734 -8.194 0.416 1.00 0.00 C ATOM 1717 O TRP A 112 9.838 -9.159 1.172 1.00 0.00 O ATOM 1718 CB TRP A 112 7.390 -7.187 0.365 1.00 0.00 C ATOM 1719 CG TRP A 112 7.024 -8.627 -0.004 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.296 -9.500 0.705 1.00 0.00 C ATOM 1721 CD2 TRP A 112 7.402 -9.328 -1.207 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.177 -10.709 0.049 1.00 0.00 N ATOM 1723 CE2 TRP A 112 6.871 -10.601 -1.151 1.00 0.00 C ATOM 1724 CE3 TRP A 112 8.167 -8.902 -2.307 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 7.048 -11.551 -2.164 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 8.335 -9.863 -3.311 1.00 0.00 C ATOM 1727 CH2 TRP A 112 7.807 -11.148 -3.269 1.00 0.00 C ATOM 0 H TRP A 112 8.790 -5.300 -0.426 1.00 0.00 H new ATOM 0 HA TRP A 112 8.823 -6.919 1.878 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.741 -6.854 1.175 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.190 -6.542 -0.490 1.00 0.00 H new ATOM 0 HD1 TRP A 112 5.857 -9.285 1.668 1.00 0.00 H new ATOM 0 HE1 TRP A 112 5.673 -11.530 0.383 1.00 0.00 H new ATOM 0 HE3 TRP A 112 8.592 -7.911 -2.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 6.622 -12.541 -2.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 8.915 -9.587 -4.179 1.00 0.00 H new ATOM 0 HH2 TRP A 112 7.982 -11.833 -4.086 1.00 0.00 H new ATOM 1738 N ARG A 113 10.350 -8.087 -0.752 1.00 0.00 N ATOM 1739 CA ARG A 113 11.223 -9.141 -1.237 1.00 0.00 C ATOM 1740 C ARG A 113 12.497 -9.207 -0.392 1.00 0.00 C ATOM 1741 O ARG A 113 13.233 -10.190 -0.448 1.00 0.00 O ATOM 1742 CB ARG A 113 11.603 -8.911 -2.702 1.00 0.00 C ATOM 1743 CG ARG A 113 11.984 -10.228 -3.382 1.00 0.00 C ATOM 1744 CD ARG A 113 13.175 -10.034 -4.323 1.00 0.00 C ATOM 1745 NE ARG A 113 14.415 -10.516 -3.675 1.00 0.00 N ATOM 1746 CZ ARG A 113 15.533 -10.838 -4.340 1.00 0.00 C ATOM 1747 NH1 ARG A 113 15.573 -10.732 -5.675 1.00 0.00 N ATOM 1748 NH2 ARG A 113 16.611 -11.267 -3.669 1.00 0.00 N ATOM 0 H ARG A 113 10.261 -7.286 -1.377 1.00 0.00 H new ATOM 0 HA ARG A 113 10.681 -10.083 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 113 10.767 -8.453 -3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 113 12.438 -8.213 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.231 -10.974 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 113 11.132 -10.612 -3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 113 13.006 -10.577 -5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.276 -8.980 -4.582 1.00 0.00 H new ATOM 0 HE ARG A 113 14.419 -10.609 -2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 113 14.752 -10.406 -6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 113 16.424 -10.977 -6.181 1.00 0.00 H new ATOM 0 HH21 ARG A 113 16.580 -11.348 -2.653 1.00 0.00 H new ATOM 0 HH22 ARG A 113 17.462 -11.512 -4.175 1.00 0.00 H new ATOM 1762 N ALA A 114 12.717 -8.146 0.372 1.00 0.00 N ATOM 1763 CA ALA A 114 13.888 -8.071 1.228 1.00 0.00 C ATOM 1764 C ALA A 114 13.453 -7.710 2.650 1.00 0.00 C ATOM 1765 O ALA A 114 14.194 -7.055 3.382 1.00 0.00 O ATOM 1766 CB ALA A 114 14.881 -7.062 0.648 1.00 0.00 C ATOM 0 H ALA A 114 12.104 -7.332 0.415 1.00 0.00 H new ATOM 0 HA ALA A 114 14.393 -9.036 1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.760 -7.006 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.181 -7.380 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.410 -6.080 0.590 1.00 0.00 H new ATOM 1772 N HIS A 115 12.254 -8.152 2.998 1.00 0.00 N ATOM 1773 CA HIS A 115 11.712 -7.884 4.319 1.00 0.00 C ATOM 1774 C HIS A 115 10.764 -9.014 4.724 1.00 0.00 C ATOM 1775 O HIS A 115 10.808 -9.491 5.857 1.00 0.00 O ATOM 1776 CB HIS A 115 11.046 -6.507 4.363 1.00 0.00 C ATOM 1777 CG HIS A 115 11.566 -5.608 5.459 1.00 0.00 C ATOM 1778 ND1 HIS A 115 10.771 -5.151 6.495 1.00 0.00 N ATOM 1779 CD2 HIS A 115 12.809 -5.087 5.670 1.00 0.00 C ATOM 1780 CE1 HIS A 115 11.511 -4.390 7.287 1.00 0.00 C ATOM 1781 NE2 HIS A 115 12.775 -4.351 6.774 1.00 0.00 N ATOM 0 H HIS A 115 11.642 -8.694 2.388 1.00 0.00 H new ATOM 0 HA HIS A 115 12.521 -7.856 5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.192 -6.013 3.402 1.00 0.00 H new ATOM 0 HB3 HIS A 115 9.972 -6.638 4.494 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.675 -5.247 5.044 1.00 0.00 H new ATOM 0 HE1 HIS A 115 11.173 -3.888 8.182 1.00 0.00 H new ATOM 0 HE2 HIS A 115 13.563 -3.841 7.173 1.00 0.00 H new ATOM 1790 N CYS A 116 9.927 -9.410 3.776 1.00 0.00 N ATOM 1791 CA CYS A 116 8.970 -10.475 4.020 1.00 0.00 C ATOM 1792 C CYS A 116 9.638 -11.809 3.680 1.00 0.00 C ATOM 1793 O CYS A 116 9.696 -12.710 4.516 1.00 0.00 O ATOM 1794 CB CYS A 116 7.677 -10.267 3.228 1.00 0.00 C ATOM 1795 SG CYS A 116 6.172 -10.080 4.252 1.00 0.00 S ATOM 0 H CYS A 116 9.892 -9.012 2.837 1.00 0.00 H new ATOM 0 HA CYS A 116 8.680 -10.472 5.071 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.788 -9.380 2.605 1.00 0.00 H new ATOM 0 HB3 CYS A 116 7.539 -11.114 2.556 1.00 0.00 H new ATOM 1800 N GLN A 117 10.127 -11.894 2.452 1.00 0.00 N ATOM 1801 CA GLN A 117 10.789 -13.102 1.991 1.00 0.00 C ATOM 1802 C GLN A 117 12.181 -13.216 2.616 1.00 0.00 C ATOM 1803 O GLN A 117 13.177 -13.329 1.904 1.00 0.00 O ATOM 1804 CB GLN A 117 10.869 -13.135 0.464 1.00 0.00 C ATOM 1805 CG GLN A 117 9.919 -14.186 -0.113 1.00 0.00 C ATOM 1806 CD GLN A 117 10.693 -15.400 -0.633 1.00 0.00 C ATOM 1807 OE1 GLN A 117 10.764 -16.440 0.000 1.00 0.00 O ATOM 1808 NE2 GLN A 117 11.267 -15.208 -1.817 1.00 0.00 N ATOM 0 H GLN A 117 10.078 -11.145 1.761 1.00 0.00 H new ATOM 0 HA GLN A 117 10.198 -13.961 2.309 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.618 -12.153 0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.891 -13.355 0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 117 9.212 -14.502 0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.336 -13.748 -0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 117 11.167 -14.311 -2.293 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.807 -15.957 -2.249 1.00 0.00 H new ATOM 1817 N ASN A 118 12.204 -13.183 3.940 1.00 0.00 N ATOM 1818 CA ASN A 118 13.457 -13.281 4.669 1.00 0.00 C ATOM 1819 C ASN A 118 13.247 -14.130 5.925 1.00 0.00 C ATOM 1820 O ASN A 118 13.925 -15.138 6.117 1.00 0.00 O ATOM 1821 CB ASN A 118 13.948 -11.900 5.109 1.00 0.00 C ATOM 1822 CG ASN A 118 15.477 -11.845 5.139 1.00 0.00 C ATOM 1823 OD1 ASN A 118 16.130 -12.468 5.960 1.00 0.00 O ATOM 1824 ND2 ASN A 118 16.009 -11.068 4.200 1.00 0.00 N ATOM 0 H ASN A 118 11.375 -13.090 4.527 1.00 0.00 H new ATOM 0 HA ASN A 118 14.197 -13.733 4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 118 13.567 -11.140 4.427 1.00 0.00 H new ATOM 0 HB3 ASN A 118 13.553 -11.668 6.098 1.00 0.00 H new ATOM 0 HD21 ASN A 118 17.022 -10.966 4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 118 15.404 -10.574 3.544 1.00 0.00 H new ATOM 1831 N ARG A 119 12.305 -13.690 6.747 1.00 0.00 N ATOM 1832 CA ARG A 119 11.998 -14.397 7.978 1.00 0.00 C ATOM 1833 C ARG A 119 10.491 -14.641 8.088 1.00 0.00 C ATOM 1834 O ARG A 119 9.751 -14.419 7.130 1.00 0.00 O ATOM 1835 CB ARG A 119 12.469 -13.607 9.200 1.00 0.00 C ATOM 1836 CG ARG A 119 12.899 -14.546 10.329 1.00 0.00 C ATOM 1837 CD ARG A 119 12.254 -14.139 11.655 1.00 0.00 C ATOM 1838 NE ARG A 119 13.092 -13.126 12.336 1.00 0.00 N ATOM 1839 CZ ARG A 119 13.055 -12.883 13.653 1.00 0.00 C ATOM 1840 NH1 ARG A 119 12.222 -13.578 14.440 1.00 0.00 N ATOM 1841 NH2 ARG A 119 13.851 -11.945 14.183 1.00 0.00 N ATOM 0 H ARG A 119 11.745 -12.853 6.584 1.00 0.00 H new ATOM 0 HA ARG A 119 12.524 -15.351 7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 119 13.303 -12.962 8.921 1.00 0.00 H new ATOM 0 HB3 ARG A 119 11.666 -12.957 9.549 1.00 0.00 H new ATOM 0 HG2 ARG A 119 12.618 -15.570 10.083 1.00 0.00 H new ATOM 0 HG3 ARG A 119 13.984 -14.529 10.428 1.00 0.00 H new ATOM 0 HD2 ARG A 119 11.257 -13.737 11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 119 12.135 -15.014 12.294 1.00 0.00 H new ATOM 0 HE ARG A 119 13.738 -12.579 11.767 1.00 0.00 H new ATOM 0 HH11 ARG A 119 11.616 -14.292 14.036 1.00 0.00 H new ATOM 0 HH12 ARG A 119 12.194 -13.393 15.443 1.00 0.00 H new ATOM 0 HH21 ARG A 119 14.485 -11.416 13.584 1.00 0.00 H new ATOM 0 HH22 ARG A 119 13.823 -11.760 15.186 1.00 0.00 H new ATOM 1855 N ASP A 120 10.081 -15.096 9.263 1.00 0.00 N ATOM 1856 CA ASP A 120 8.677 -15.372 9.510 1.00 0.00 C ATOM 1857 C ASP A 120 7.978 -14.086 9.954 1.00 0.00 C ATOM 1858 O ASP A 120 8.095 -13.678 11.109 1.00 0.00 O ATOM 1859 CB ASP A 120 8.507 -16.410 10.621 1.00 0.00 C ATOM 1860 CG ASP A 120 7.106 -17.017 10.731 1.00 0.00 C ATOM 1861 OD1 ASP A 120 6.783 -17.859 9.865 1.00 0.00 O ATOM 1862 OD2 ASP A 120 6.391 -16.625 11.678 1.00 0.00 O ATOM 0 H ASP A 120 10.697 -15.280 10.054 1.00 0.00 H new ATOM 0 HA ASP A 120 8.242 -15.756 8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 120 9.224 -17.215 10.458 1.00 0.00 H new ATOM 0 HB3 ASP A 120 8.761 -15.945 11.574 1.00 0.00 H new ATOM 1867 N LEU A 121 7.267 -13.481 9.014 1.00 0.00 N ATOM 1868 CA LEU A 121 6.550 -12.249 9.294 1.00 0.00 C ATOM 1869 C LEU A 121 5.138 -12.584 9.776 1.00 0.00 C ATOM 1870 O LEU A 121 4.294 -11.698 9.903 1.00 0.00 O ATOM 1871 CB LEU A 121 6.580 -11.323 8.076 1.00 0.00 C ATOM 1872 CG LEU A 121 6.408 -9.830 8.364 1.00 0.00 C ATOM 1873 CD1 LEU A 121 4.934 -9.479 8.575 1.00 0.00 C ATOM 1874 CD2 LEU A 121 7.276 -9.396 9.547 1.00 0.00 C ATOM 0 H LEU A 121 7.172 -13.821 8.057 1.00 0.00 H new ATOM 0 HA LEU A 121 7.039 -11.698 10.097 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.529 -11.466 7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.793 -11.633 7.389 1.00 0.00 H new ATOM 0 HG LEU A 121 6.750 -9.272 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 121 4.839 -8.412 8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.368 -9.729 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.543 -10.045 9.420 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.135 -8.331 9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 121 6.988 -9.958 10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.324 -9.589 9.319 1.00 0.00 H new ATOM 1886 N SER A 122 4.923 -13.866 10.033 1.00 0.00 N ATOM 1887 CA SER A 122 3.627 -14.330 10.499 1.00 0.00 C ATOM 1888 C SER A 122 3.442 -13.968 11.974 1.00 0.00 C ATOM 1889 O SER A 122 2.315 -13.832 12.446 1.00 0.00 O ATOM 1890 CB SER A 122 3.478 -15.839 10.299 1.00 0.00 C ATOM 1891 OG SER A 122 3.510 -16.201 8.921 1.00 0.00 O ATOM 0 H SER A 122 5.625 -14.598 9.927 1.00 0.00 H new ATOM 0 HA SER A 122 2.854 -13.836 9.911 1.00 0.00 H new ATOM 0 HB2 SER A 122 4.279 -16.356 10.828 1.00 0.00 H new ATOM 0 HB3 SER A 122 2.538 -16.172 10.740 1.00 0.00 H new ATOM 0 HG SER A 122 3.414 -17.173 8.836 1.00 0.00 H new ATOM 1897 N GLN A 123 4.566 -13.824 12.660 1.00 0.00 N ATOM 1898 CA GLN A 123 4.542 -13.481 14.072 1.00 0.00 C ATOM 1899 C GLN A 123 4.031 -12.051 14.263 1.00 0.00 C ATOM 1900 O GLN A 123 3.660 -11.663 15.369 1.00 0.00 O ATOM 1901 CB GLN A 123 5.924 -13.658 14.703 1.00 0.00 C ATOM 1902 CG GLN A 123 5.873 -13.416 16.213 1.00 0.00 C ATOM 1903 CD GLN A 123 4.999 -14.463 16.907 1.00 0.00 C ATOM 1904 OE1 GLN A 123 5.460 -15.509 17.335 1.00 0.00 O ATOM 1905 NE2 GLN A 123 3.715 -14.126 16.993 1.00 0.00 N ATOM 0 H GLN A 123 5.499 -13.939 12.265 1.00 0.00 H new ATOM 0 HA GLN A 123 3.858 -14.161 14.579 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.292 -14.665 14.505 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.629 -12.965 14.244 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.882 -13.449 16.624 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.480 -12.419 16.412 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.395 -13.235 16.614 1.00 0.00 H new ATOM 0 HE22 GLN A 123 3.050 -14.759 17.438 1.00 0.00 H new ATOM 1914 N TYR A 124 4.029 -11.307 13.167 1.00 0.00 N ATOM 1915 CA TYR A 124 3.570 -9.929 13.199 1.00 0.00 C ATOM 1916 C TYR A 124 2.042 -9.858 13.167 1.00 0.00 C ATOM 1917 O TYR A 124 1.441 -9.017 13.833 1.00 0.00 O ATOM 1918 CB TYR A 124 4.126 -9.269 11.935 1.00 0.00 C ATOM 1919 CG TYR A 124 4.572 -7.820 12.134 1.00 0.00 C ATOM 1920 CD1 TYR A 124 5.384 -7.488 13.200 1.00 0.00 C ATOM 1921 CD2 TYR A 124 4.164 -6.844 11.248 1.00 0.00 C ATOM 1922 CE1 TYR A 124 5.804 -6.124 13.388 1.00 0.00 C ATOM 1923 CE2 TYR A 124 4.585 -5.479 11.436 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.384 -5.187 12.496 1.00 0.00 C ATOM 1925 OH TYR A 124 5.781 -3.898 12.673 1.00 0.00 O ATOM 0 H TYR A 124 4.338 -11.632 12.251 1.00 0.00 H new ATOM 0 HA TYR A 124 3.905 -9.435 14.111 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.973 -9.853 11.575 1.00 0.00 H new ATOM 0 HB3 TYR A 124 3.364 -9.300 11.156 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.704 -8.252 13.893 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.529 -7.103 10.414 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.438 -5.851 14.218 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.273 -4.705 10.750 1.00 0.00 H new ATOM 0 HH TYR A 124 6.658 -3.883 13.111 1.00 0.00 H new ATOM 1935 N ILE A 125 1.457 -10.754 12.385 1.00 0.00 N ATOM 1936 CA ILE A 125 0.010 -10.804 12.258 1.00 0.00 C ATOM 1937 C ILE A 125 -0.558 -11.752 13.316 1.00 0.00 C ATOM 1938 O ILE A 125 -1.662 -11.540 13.815 1.00 0.00 O ATOM 1939 CB ILE A 125 -0.389 -11.170 10.826 1.00 0.00 C ATOM 1940 CG1 ILE A 125 0.181 -12.533 10.430 1.00 0.00 C ATOM 1941 CG2 ILE A 125 0.020 -10.070 9.845 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -0.813 -13.313 9.567 1.00 0.00 C ATOM 0 H ILE A 125 1.958 -11.450 11.834 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.424 -9.821 12.444 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.475 -11.251 10.784 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.114 -12.396 9.883 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.418 -13.106 11.326 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.275 -10.355 8.835 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.474 -9.137 10.118 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.101 -9.933 9.882 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.383 -14.278 9.299 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.736 -13.469 10.126 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.029 -12.748 8.660 1.00 0.00 H new ATOM 1954 N ARG A 126 0.222 -12.777 13.626 1.00 0.00 N ATOM 1955 CA ARG A 126 -0.190 -13.758 14.616 1.00 0.00 C ATOM 1956 C ARG A 126 -0.180 -13.137 16.015 1.00 0.00 C ATOM 1957 O ARG A 126 0.874 -13.024 16.639 1.00 0.00 O ATOM 1958 CB ARG A 126 0.733 -14.978 14.600 1.00 0.00 C ATOM 1959 CG ARG A 126 0.225 -16.063 15.552 1.00 0.00 C ATOM 1960 CD ARG A 126 0.026 -17.389 14.815 1.00 0.00 C ATOM 1961 NE ARG A 126 -1.356 -17.476 14.294 1.00 0.00 N ATOM 1962 CZ ARG A 126 -1.944 -18.617 13.910 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -1.274 -19.775 13.988 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -3.202 -18.601 13.449 1.00 0.00 N ATOM 0 H ARG A 126 1.137 -12.950 13.209 1.00 0.00 H new ATOM 0 HA ARG A 126 -1.201 -14.079 14.364 1.00 0.00 H new ATOM 0 HB2 ARG A 126 0.796 -15.378 13.588 1.00 0.00 H new ATOM 0 HB3 ARG A 126 1.741 -14.680 14.888 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.936 -16.199 16.367 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -0.717 -15.747 16.000 1.00 0.00 H new ATOM 0 HD2 ARG A 126 0.739 -17.469 13.994 1.00 0.00 H new ATOM 0 HD3 ARG A 126 0.222 -18.222 15.490 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.895 -16.613 14.223 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.317 -19.788 14.340 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -1.721 -20.644 13.696 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.712 -17.720 13.390 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.649 -19.470 13.157 1.00 0.00 H new ATOM 1978 N ASN A 127 -1.365 -12.752 16.465 1.00 0.00 N ATOM 1979 CA ASN A 127 -1.505 -12.146 17.778 1.00 0.00 C ATOM 1980 C ASN A 127 -2.836 -11.394 17.849 1.00 0.00 C ATOM 1981 O ASN A 127 -3.401 -11.225 18.928 1.00 0.00 O ATOM 1982 CB ASN A 127 -0.381 -11.143 18.045 1.00 0.00 C ATOM 1983 CG ASN A 127 0.516 -11.617 19.190 1.00 0.00 C ATOM 1984 OD1 ASN A 127 0.259 -12.616 19.842 1.00 0.00 O ATOM 1985 ND2 ASN A 127 1.580 -10.847 19.398 1.00 0.00 N ATOM 0 H ASN A 127 -2.237 -12.848 15.944 1.00 0.00 H new ATOM 0 HA ASN A 127 -1.463 -12.941 18.522 1.00 0.00 H new ATOM 0 HB2 ASN A 127 0.215 -11.011 17.142 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -0.807 -10.170 18.291 1.00 0.00 H new ATOM 0 HD21 ASN A 127 2.240 -11.079 20.140 1.00 0.00 H new ATOM 0 HD22 ASN A 127 1.736 -10.024 18.815 1.00 0.00 H new ATOM 1992 N CYS A 128 -3.298 -10.963 16.684 1.00 0.00 N ATOM 1993 CA CYS A 128 -4.551 -10.233 16.600 1.00 0.00 C ATOM 1994 C CYS A 128 -5.698 -11.223 16.814 1.00 0.00 C ATOM 1995 O CYS A 128 -6.788 -10.834 17.233 1.00 0.00 O ATOM 1996 CB CYS A 128 -4.683 -9.486 15.271 1.00 0.00 C ATOM 1997 SG CYS A 128 -5.299 -7.769 15.414 1.00 0.00 S ATOM 0 H CYS A 128 -2.827 -11.106 15.791 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.582 -9.468 17.376 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -3.709 -9.468 14.782 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.356 -10.046 14.621 1.00 0.00 H new ATOM 2002 N GLY A 129 -5.414 -12.482 16.518 1.00 0.00 N ATOM 2003 CA GLY A 129 -6.409 -13.530 16.673 1.00 0.00 C ATOM 2004 C GLY A 129 -6.952 -13.976 15.314 1.00 0.00 C ATOM 2005 O GLY A 129 -8.112 -14.372 15.205 1.00 0.00 O ATOM 0 H GLY A 129 -4.509 -12.801 16.172 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -5.967 -14.382 17.190 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -7.228 -13.170 17.295 1.00 0.00 H new ATOM 2009 N VAL A 130 -6.089 -13.895 14.312 1.00 0.00 N ATOM 2010 CA VAL A 130 -6.468 -14.285 12.965 1.00 0.00 C ATOM 2011 C VAL A 130 -6.170 -15.773 12.766 1.00 0.00 C ATOM 2012 O VAL A 130 -7.009 -16.515 12.259 1.00 0.00 O ATOM 2013 CB VAL A 130 -5.762 -13.392 11.943 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -5.708 -14.066 10.570 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -6.435 -12.021 11.855 1.00 0.00 C ATOM 0 H VAL A 130 -5.128 -13.565 14.406 1.00 0.00 H new ATOM 0 HA VAL A 130 -7.538 -14.145 12.814 1.00 0.00 H new ATOM 0 HB VAL A 130 -4.737 -13.241 12.282 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -5.201 -13.410 9.862 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -5.163 -15.007 10.648 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -6.722 -14.262 10.221 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -5.913 -11.406 11.121 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -7.475 -12.145 11.551 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.397 -11.534 12.829 1.00 0.00 H new