USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 689 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 30 SER OG : rot 122:sc= -1.44! USER MOD Set 1.2: A 62 GLN : amide:sc= -2.68! C(o=-2.8!,f=-3.9!) USER MOD Set 1.3: A 80 ASN : amide:sc= 1.27 X(o=-2.8,f=-2.8) USER MOD Set 2.1: A 22 HIS : no HD1:sc= 0.621 K(o=-1,f=-11!) USER MOD Set 2.2: A 59 SER OG : rot -124:sc= -1.62! USER MOD Single : A 25 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.82) USER MOD Single : A 27 SER OG : rot 180:sc= -0.156 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -122:sc= 0.0516 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.83 K(o=-0.83,f=-4!) USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= 1.75 (180deg=-0.114!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 1.02 K(o=1,f=-0.049) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.589! X(o=-0.59!,f=-0.57) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.273 F(o=-1.3,f=-0.27) USER MOD Single : A 88 THR OG1 : rot 2:sc= -0.0891 USER MOD Single : A 93 ASN : amide:sc= 0.991 K(o=0.99,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 2.854 -11.687 -2.280 1.00 0.00 N ATOM 2 CA GLY A 15 3.763 -11.648 -3.429 1.00 0.00 C ATOM 3 C GLY A 15 5.099 -11.060 -3.079 1.00 0.00 C ATOM 4 O GLY A 15 5.986 -10.937 -3.925 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.903 -12.658 -3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.309 -11.063 -4.229 1.00 0.00 H new ATOM 8 N LEU A 16 5.290 -10.718 -1.833 1.00 0.00 N ATOM 9 CA LEU A 16 6.463 -10.026 -1.462 1.00 0.00 C ATOM 10 C LEU A 16 6.830 -10.247 -0.033 1.00 0.00 C ATOM 11 O LEU A 16 6.155 -10.980 0.688 1.00 0.00 O ATOM 12 CB LEU A 16 6.363 -8.519 -1.795 1.00 0.00 C ATOM 13 CG LEU A 16 5.036 -7.786 -1.619 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.430 -8.043 -0.277 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.266 -6.308 -1.790 1.00 0.00 C ATOM 0 H LEU A 16 4.642 -10.913 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 16 7.273 -10.445 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.103 -8.002 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.666 -8.396 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 16 4.341 -8.157 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.487 -7.502 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.248 -9.111 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.113 -7.703 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.323 -5.776 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.979 -5.962 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.663 -6.114 -2.786 1.00 0.00 H new ATOM 27 N ARG A 17 7.880 -9.590 0.369 1.00 0.00 N ATOM 28 CA ARG A 17 8.372 -9.682 1.698 1.00 0.00 C ATOM 29 C ARG A 17 7.830 -8.555 2.521 1.00 0.00 C ATOM 30 O ARG A 17 7.778 -8.667 3.749 1.00 0.00 O ATOM 31 CB ARG A 17 9.896 -9.704 1.733 1.00 0.00 C ATOM 32 CG ARG A 17 10.482 -10.911 1.045 1.00 0.00 C ATOM 33 CD ARG A 17 11.984 -10.975 1.178 1.00 0.00 C ATOM 34 NE ARG A 17 12.525 -12.176 0.533 1.00 0.00 N ATOM 35 CZ ARG A 17 13.815 -12.376 0.234 1.00 0.00 C ATOM 36 NH1 ARG A 17 14.722 -11.444 0.507 1.00 0.00 N ATOM 37 NH2 ARG A 17 14.181 -13.517 -0.340 1.00 0.00 N ATOM 0 H ARG A 17 8.421 -8.968 -0.232 1.00 0.00 H new ATOM 0 HA ARG A 17 8.030 -10.625 2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.278 -8.800 1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.231 -9.685 2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.044 -11.815 1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.214 -10.890 -0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.429 -10.087 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.258 -10.971 2.233 1.00 0.00 H new ATOM 0 HE ARG A 17 11.867 -12.917 0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.438 -10.569 0.947 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.703 -11.604 0.276 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.482 -14.230 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.161 -13.680 -0.572 1.00 0.00 H new ATOM 51 N GLU A 18 7.430 -7.442 1.869 1.00 0.00 N ATOM 52 CA GLU A 18 6.785 -6.363 2.661 1.00 0.00 C ATOM 53 C GLU A 18 6.017 -5.323 1.863 1.00 0.00 C ATOM 54 O GLU A 18 6.457 -4.923 0.779 1.00 0.00 O ATOM 55 CB GLU A 18 7.780 -5.620 3.574 1.00 0.00 C ATOM 56 CG GLU A 18 8.939 -4.921 2.892 1.00 0.00 C ATOM 57 CD GLU A 18 9.881 -4.288 3.875 1.00 0.00 C ATOM 58 OE1 GLU A 18 9.665 -3.129 4.259 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.854 -4.924 4.270 1.00 0.00 O ATOM 0 H GLU A 18 7.529 -7.268 0.869 1.00 0.00 H new ATOM 0 HA GLU A 18 6.058 -6.921 3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.226 -4.878 4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.187 -6.336 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.485 -5.640 2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.553 -4.156 2.218 1.00 0.00 H new ATOM 66 N ILE A 19 4.846 -4.914 2.406 1.00 0.00 N ATOM 67 CA ILE A 19 4.168 -3.715 1.967 1.00 0.00 C ATOM 68 C ILE A 19 4.110 -2.787 3.140 1.00 0.00 C ATOM 69 O ILE A 19 3.718 -3.165 4.250 1.00 0.00 O ATOM 70 CB ILE A 19 2.755 -3.959 1.339 1.00 0.00 C ATOM 71 CG1 ILE A 19 2.843 -4.014 -0.181 1.00 0.00 C ATOM 72 CG2 ILE A 19 1.685 -2.947 1.792 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.201 -2.705 -0.851 1.00 0.00 C ATOM 0 H ILE A 19 4.365 -5.415 3.153 1.00 0.00 H new ATOM 0 HA ILE A 19 4.734 -3.277 1.145 1.00 0.00 H new ATOM 0 HB ILE A 19 2.424 -4.927 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.585 -4.762 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.885 -4.355 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.735 -3.184 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.569 -3.000 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.993 -1.941 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.239 -2.847 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.448 -1.955 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.175 -2.369 -0.495 1.00 0.00 H new ATOM 85 N ARG A 20 4.544 -1.630 2.927 1.00 0.00 N ATOM 86 CA ARG A 20 4.625 -0.678 3.950 1.00 0.00 C ATOM 87 C ARG A 20 4.208 0.673 3.425 1.00 0.00 C ATOM 88 O ARG A 20 4.923 1.310 2.674 1.00 0.00 O ATOM 89 CB ARG A 20 6.045 -0.725 4.537 1.00 0.00 C ATOM 90 CG ARG A 20 6.374 0.323 5.556 1.00 0.00 C ATOM 91 CD ARG A 20 7.584 -0.081 6.405 1.00 0.00 C ATOM 92 NE ARG A 20 8.713 -0.594 5.624 1.00 0.00 N ATOM 93 CZ ARG A 20 9.997 -0.215 5.754 1.00 0.00 C ATOM 94 NH1 ARG A 20 10.328 0.861 6.462 1.00 0.00 N ATOM 95 NH2 ARG A 20 10.935 -0.917 5.159 1.00 0.00 N ATOM 0 H ARG A 20 4.864 -1.300 2.017 1.00 0.00 H new ATOM 0 HA ARG A 20 3.935 -0.895 4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.196 -1.704 4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.758 -0.641 3.717 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.580 1.268 5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.512 0.486 6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.916 0.783 6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.275 -0.842 7.121 1.00 0.00 H new ATOM 0 HE ARG A 20 8.507 -1.302 4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.603 1.415 6.918 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.307 1.133 6.549 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.685 -1.738 4.607 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.913 -0.641 5.249 1.00 0.00 H new ATOM 109 N ILE A 21 3.025 1.088 3.791 1.00 0.00 N ATOM 110 CA ILE A 21 2.485 2.343 3.315 1.00 0.00 C ATOM 111 C ILE A 21 3.277 3.444 3.954 1.00 0.00 C ATOM 112 O ILE A 21 3.778 3.288 5.037 1.00 0.00 O ATOM 113 CB ILE A 21 1.032 2.610 3.789 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.283 1.343 4.189 1.00 0.00 C ATOM 115 CG2 ILE A 21 0.243 3.370 2.710 1.00 0.00 C ATOM 116 CD1 ILE A 21 -1.030 1.649 4.867 1.00 0.00 C ATOM 0 H ILE A 21 2.409 0.575 4.422 1.00 0.00 H new ATOM 0 HA ILE A 21 2.521 2.303 2.226 1.00 0.00 H new ATOM 0 HB ILE A 21 1.114 3.223 4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.100 0.736 3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.906 0.750 4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.774 3.548 3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.730 4.324 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.213 2.777 1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.528 0.717 5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.846 2.233 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.666 2.219 4.189 1.00 0.00 H new ATOM 128 N HIS A 22 3.422 4.490 3.281 1.00 0.00 N ATOM 129 CA HIS A 22 3.931 5.690 3.834 1.00 0.00 C ATOM 130 C HIS A 22 2.754 6.608 3.773 1.00 0.00 C ATOM 131 O HIS A 22 2.261 6.863 2.678 1.00 0.00 O ATOM 132 CB HIS A 22 5.050 6.280 2.952 1.00 0.00 C ATOM 133 CG HIS A 22 6.307 5.465 2.793 1.00 0.00 C ATOM 134 ND1 HIS A 22 7.355 5.881 2.017 1.00 0.00 N ATOM 135 CD2 HIS A 22 6.681 4.268 3.301 1.00 0.00 C ATOM 136 CE1 HIS A 22 8.310 4.986 2.049 1.00 0.00 C ATOM 137 NE2 HIS A 22 7.934 3.997 2.822 1.00 0.00 N ATOM 0 H HIS A 22 3.187 4.558 2.291 1.00 0.00 H new ATOM 0 HA HIS A 22 4.349 5.542 4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.637 6.460 1.959 1.00 0.00 H new ATOM 0 HB3 HIS A 22 5.327 7.251 3.363 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.099 3.643 3.962 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.252 5.052 1.525 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.484 3.164 3.032 1.00 0.00 H new ATOM 146 N LEU A 23 2.296 7.090 4.894 1.00 0.00 N ATOM 147 CA LEU A 23 1.131 7.927 4.908 1.00 0.00 C ATOM 148 C LEU A 23 1.499 9.427 4.967 1.00 0.00 C ATOM 149 O LEU A 23 2.282 9.907 4.121 1.00 0.00 O ATOM 150 CB LEU A 23 0.174 7.484 6.044 1.00 0.00 C ATOM 151 CG LEU A 23 -1.235 8.103 6.054 1.00 0.00 C ATOM 152 CD1 LEU A 23 -1.972 7.798 4.756 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.023 7.590 7.248 1.00 0.00 C ATOM 0 H LEU A 23 2.712 6.917 5.809 1.00 0.00 H new ATOM 0 HA LEU A 23 0.596 7.802 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.067 6.400 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.651 7.713 6.997 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.135 9.185 6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.965 8.246 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.414 8.211 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.065 6.719 4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.018 8.034 7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.110 6.505 7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.507 7.862 8.169 1.00 0.00 H new ATOM 165 N CYS A 24 1.042 10.098 6.011 1.00 0.00 N ATOM 166 CA CYS A 24 1.098 11.560 6.179 1.00 0.00 C ATOM 167 C CYS A 24 0.068 12.259 5.325 1.00 0.00 C ATOM 168 O CYS A 24 0.291 12.525 4.145 1.00 0.00 O ATOM 169 CB CYS A 24 2.489 12.181 5.987 1.00 0.00 C ATOM 170 SG CYS A 24 3.669 11.786 7.301 1.00 0.00 S ATOM 0 H CYS A 24 0.602 9.630 6.803 1.00 0.00 H new ATOM 0 HA CYS A 24 0.856 11.723 7.229 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.897 11.842 5.035 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.385 13.264 5.922 1.00 0.00 H new ATOM 175 N GLN A 25 -1.050 12.587 5.944 1.00 0.00 N ATOM 176 CA GLN A 25 -2.189 13.251 5.282 1.00 0.00 C ATOM 177 C GLN A 25 -1.952 14.757 5.050 1.00 0.00 C ATOM 178 O GLN A 25 -2.902 15.530 4.869 1.00 0.00 O ATOM 179 CB GLN A 25 -3.493 12.999 6.100 1.00 0.00 C ATOM 180 CG GLN A 25 -3.400 13.251 7.623 1.00 0.00 C ATOM 181 CD GLN A 25 -3.080 14.688 8.006 1.00 0.00 C ATOM 182 OE1 GLN A 25 -1.917 15.063 8.126 1.00 0.00 O ATOM 183 NE2 GLN A 25 -4.083 15.478 8.229 1.00 0.00 N ATOM 0 H GLN A 25 -1.208 12.403 6.935 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.297 12.811 4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.280 13.634 5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.803 11.966 5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.346 12.968 8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.634 12.598 8.041 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.037 15.134 8.120 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.918 16.444 8.514 1.00 0.00 H new ATOM 192 N ARG A 26 -0.696 15.140 4.984 1.00 0.00 N ATOM 193 CA ARG A 26 -0.305 16.534 4.912 1.00 0.00 C ATOM 194 C ARG A 26 -0.515 17.140 3.532 1.00 0.00 C ATOM 195 O ARG A 26 -0.757 18.350 3.416 1.00 0.00 O ATOM 196 CB ARG A 26 1.155 16.732 5.349 1.00 0.00 C ATOM 197 CG ARG A 26 2.185 15.961 4.524 1.00 0.00 C ATOM 198 CD ARG A 26 3.601 16.416 4.850 1.00 0.00 C ATOM 199 NE ARG A 26 3.812 17.826 4.479 1.00 0.00 N ATOM 200 CZ ARG A 26 4.725 18.647 5.011 1.00 0.00 C ATOM 201 NH1 ARG A 26 5.533 18.234 5.975 1.00 0.00 N ATOM 202 NH2 ARG A 26 4.820 19.896 4.573 1.00 0.00 N ATOM 0 H ARG A 26 0.090 14.490 4.979 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.961 17.060 5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.393 17.795 5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.250 16.433 6.393 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.088 14.893 4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.988 16.108 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.790 16.287 5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.317 15.788 4.321 1.00 0.00 H new ATOM 0 HE ARG A 26 3.209 18.211 3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.465 17.278 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.224 18.872 6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.199 20.226 3.834 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.514 20.526 4.975 1.00 0.00 H new ATOM 216 N SER A 27 -0.432 16.335 2.505 1.00 0.00 N ATOM 217 CA SER A 27 -0.536 16.841 1.158 1.00 0.00 C ATOM 218 C SER A 27 -1.815 16.276 0.462 1.00 0.00 C ATOM 219 O SER A 27 -2.550 15.524 1.122 1.00 0.00 O ATOM 220 CB SER A 27 0.764 16.478 0.444 1.00 0.00 C ATOM 221 OG SER A 27 1.885 16.968 1.182 1.00 0.00 O ATOM 0 H SER A 27 -0.293 15.327 2.574 1.00 0.00 H new ATOM 0 HA SER A 27 -0.655 17.924 1.135 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.837 15.396 0.333 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.767 16.902 -0.560 1.00 0.00 H new ATOM 0 HG SER A 27 2.713 16.728 0.716 1.00 0.00 H new ATOM 227 N PRO A 28 -2.113 16.679 -0.856 1.00 0.00 N ATOM 228 CA PRO A 28 -3.283 16.265 -1.658 1.00 0.00 C ATOM 229 C PRO A 28 -4.018 15.012 -1.193 1.00 0.00 C ATOM 230 O PRO A 28 -3.452 13.888 -1.175 1.00 0.00 O ATOM 231 CB PRO A 28 -2.658 16.079 -3.029 1.00 0.00 C ATOM 232 CG PRO A 28 -1.650 17.192 -3.115 1.00 0.00 C ATOM 233 CD PRO A 28 -1.324 17.614 -1.685 1.00 0.00 C ATOM 0 HA PRO A 28 -4.084 17.002 -1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.185 15.102 -3.124 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.403 16.151 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.751 16.858 -3.632 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.051 18.032 -3.682 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.257 17.532 -1.476 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.606 18.650 -1.499 1.00 0.00 H new ATOM 241 N GLY A 29 -5.278 15.236 -0.822 1.00 0.00 N ATOM 242 CA GLY A 29 -6.150 14.223 -0.280 1.00 0.00 C ATOM 243 C GLY A 29 -6.226 12.981 -1.112 1.00 0.00 C ATOM 244 O GLY A 29 -6.377 13.038 -2.345 1.00 0.00 O ATOM 0 H GLY A 29 -5.721 16.152 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.806 13.958 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.152 14.639 -0.173 1.00 0.00 H new ATOM 248 N SER A 30 -6.093 11.873 -0.454 1.00 0.00 N ATOM 249 CA SER A 30 -6.134 10.608 -1.082 1.00 0.00 C ATOM 250 C SER A 30 -7.225 9.785 -0.451 1.00 0.00 C ATOM 251 O SER A 30 -7.080 9.260 0.657 1.00 0.00 O ATOM 252 CB SER A 30 -4.809 9.932 -0.956 1.00 0.00 C ATOM 253 OG SER A 30 -3.762 10.816 -1.367 1.00 0.00 O ATOM 0 H SER A 30 -5.950 11.831 0.555 1.00 0.00 H new ATOM 0 HA SER A 30 -6.349 10.725 -2.144 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.648 9.621 0.076 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.794 9.029 -1.567 1.00 0.00 H new ATOM 0 HG SER A 30 -3.127 10.936 -0.630 1.00 0.00 H new ATOM 259 N GLN A 31 -8.267 9.624 -1.180 1.00 0.00 N ATOM 260 CA GLN A 31 -9.495 9.079 -0.651 1.00 0.00 C ATOM 261 C GLN A 31 -9.574 7.604 -0.819 1.00 0.00 C ATOM 262 O GLN A 31 -9.996 6.908 0.091 1.00 0.00 O ATOM 263 CB GLN A 31 -10.731 9.774 -1.215 1.00 0.00 C ATOM 264 CG GLN A 31 -10.776 9.816 -2.734 1.00 0.00 C ATOM 265 CD GLN A 31 -12.085 10.318 -3.276 1.00 0.00 C ATOM 266 OE1 GLN A 31 -12.782 11.111 -2.638 1.00 0.00 O ATOM 267 NE2 GLN A 31 -12.417 9.890 -4.461 1.00 0.00 N ATOM 0 H GLN A 31 -8.308 9.864 -2.171 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.479 9.280 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.622 9.263 -0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.769 10.794 -0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.971 10.455 -3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.589 8.816 -3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.812 9.234 -4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.282 10.211 -4.895 1.00 0.00 H new ATOM 276 N GLY A 32 -9.159 7.119 -1.953 1.00 0.00 N ATOM 277 CA GLY A 32 -9.148 5.716 -2.158 1.00 0.00 C ATOM 278 C GLY A 32 -8.093 5.107 -1.313 1.00 0.00 C ATOM 279 O GLY A 32 -8.248 3.999 -0.786 1.00 0.00 O ATOM 0 H GLY A 32 -8.827 7.677 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.121 5.292 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.964 5.492 -3.209 1.00 0.00 H new ATOM 283 N VAL A 33 -7.043 5.864 -1.125 1.00 0.00 N ATOM 284 CA VAL A 33 -5.969 5.436 -0.306 1.00 0.00 C ATOM 285 C VAL A 33 -6.417 5.367 1.143 1.00 0.00 C ATOM 286 O VAL A 33 -6.315 4.329 1.733 1.00 0.00 O ATOM 287 CB VAL A 33 -4.721 6.310 -0.485 1.00 0.00 C ATOM 288 CG1 VAL A 33 -3.595 5.844 0.422 1.00 0.00 C ATOM 289 CG2 VAL A 33 -4.278 6.246 -1.933 1.00 0.00 C ATOM 0 H VAL A 33 -6.921 6.788 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.678 4.434 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.967 7.337 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.722 6.481 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.917 5.904 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.337 4.813 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.391 6.865 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.045 5.214 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.079 6.613 -2.575 1.00 0.00 H new ATOM 299 N ARG A 34 -6.934 6.472 1.704 1.00 0.00 N ATOM 300 CA ARG A 34 -7.474 6.478 3.078 1.00 0.00 C ATOM 301 C ARG A 34 -8.506 5.389 3.280 1.00 0.00 C ATOM 302 O ARG A 34 -8.548 4.761 4.307 1.00 0.00 O ATOM 303 CB ARG A 34 -8.065 7.827 3.479 1.00 0.00 C ATOM 304 CG ARG A 34 -9.311 8.289 2.760 1.00 0.00 C ATOM 305 CD ARG A 34 -9.481 9.804 2.838 1.00 0.00 C ATOM 306 NE ARG A 34 -9.470 10.332 4.212 1.00 0.00 N ATOM 307 CZ ARG A 34 -9.201 11.618 4.517 1.00 0.00 C ATOM 308 NH1 ARG A 34 -9.016 12.509 3.546 1.00 0.00 N ATOM 309 NH2 ARG A 34 -9.132 12.013 5.781 1.00 0.00 N ATOM 0 H ARG A 34 -6.991 7.373 1.230 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.620 6.283 3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.287 7.792 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.295 8.586 3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.263 7.982 1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.184 7.802 3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.682 10.280 2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.421 10.080 2.360 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.677 9.689 4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.078 12.220 2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.813 13.481 3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.283 11.342 6.534 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.928 12.988 6.000 1.00 0.00 H new ATOM 323 N ASP A 35 -9.325 5.186 2.285 1.00 0.00 N ATOM 324 CA ASP A 35 -10.316 4.108 2.278 1.00 0.00 C ATOM 325 C ASP A 35 -9.654 2.823 2.546 1.00 0.00 C ATOM 326 O ASP A 35 -10.084 2.068 3.422 1.00 0.00 O ATOM 327 CB ASP A 35 -11.092 4.009 0.951 1.00 0.00 C ATOM 328 CG ASP A 35 -12.281 4.926 0.797 1.00 0.00 C ATOM 329 OD1 ASP A 35 -12.769 5.458 1.796 1.00 0.00 O ATOM 330 OD2 ASP A 35 -12.788 5.102 -0.352 1.00 0.00 O ATOM 0 H ASP A 35 -9.336 5.761 1.442 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.039 4.342 3.060 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.398 4.209 0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.436 2.981 0.832 1.00 0.00 H new ATOM 335 N PHE A 36 -8.627 2.576 1.801 1.00 0.00 N ATOM 336 CA PHE A 36 -7.781 1.452 2.002 1.00 0.00 C ATOM 337 C PHE A 36 -7.296 1.461 3.417 1.00 0.00 C ATOM 338 O PHE A 36 -7.718 0.641 4.191 1.00 0.00 O ATOM 339 CB PHE A 36 -6.658 1.464 0.930 1.00 0.00 C ATOM 340 CG PHE A 36 -5.298 0.829 1.221 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.389 1.460 2.060 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.893 -0.328 0.575 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.133 0.941 2.259 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.624 -0.835 0.758 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.745 -0.200 1.602 1.00 0.00 C ATOM 0 H PHE A 36 -8.349 3.166 1.017 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.311 0.509 1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.057 0.975 0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.476 2.506 0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.674 2.372 2.563 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.581 -0.840 -0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.448 1.432 2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.321 -1.732 0.238 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.752 -0.598 1.748 1.00 0.00 H new ATOM 355 N ILE A 37 -6.605 2.510 3.750 1.00 0.00 N ATOM 356 CA ILE A 37 -5.910 2.679 5.035 1.00 0.00 C ATOM 357 C ILE A 37 -6.856 2.385 6.226 1.00 0.00 C ATOM 358 O ILE A 37 -6.444 1.791 7.212 1.00 0.00 O ATOM 359 CB ILE A 37 -5.389 4.150 5.290 1.00 0.00 C ATOM 360 CG1 ILE A 37 -4.711 4.893 4.107 1.00 0.00 C ATOM 361 CG2 ILE A 37 -4.483 4.211 6.508 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.448 4.298 3.572 1.00 0.00 C ATOM 0 H ILE A 37 -6.493 3.311 3.128 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.073 1.984 4.972 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.320 4.694 5.451 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.429 4.957 3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.498 5.914 4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.141 5.235 6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.034 3.881 7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.622 3.560 6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.077 4.911 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.700 4.260 4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.646 3.289 3.211 1.00 0.00 H new ATOM 374 N GLU A 38 -8.129 2.749 6.096 1.00 0.00 N ATOM 375 CA GLU A 38 -9.011 2.768 7.246 1.00 0.00 C ATOM 376 C GLU A 38 -9.917 1.595 7.222 1.00 0.00 C ATOM 377 O GLU A 38 -9.909 0.738 8.117 1.00 0.00 O ATOM 378 CB GLU A 38 -9.863 4.047 7.249 1.00 0.00 C ATOM 379 CG GLU A 38 -9.072 5.343 7.232 1.00 0.00 C ATOM 380 CD GLU A 38 -8.256 5.567 8.488 1.00 0.00 C ATOM 381 OE1 GLU A 38 -7.256 4.866 8.715 1.00 0.00 O ATOM 382 OE2 GLU A 38 -8.631 6.455 9.288 1.00 0.00 O ATOM 0 H GLU A 38 -8.563 3.030 5.217 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.392 2.737 8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.522 4.029 6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.501 4.039 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.405 5.341 6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.760 6.178 7.101 1.00 0.00 H new ATOM 389 N LYS A 39 -10.663 1.546 6.162 1.00 0.00 N ATOM 390 CA LYS A 39 -11.714 0.612 5.997 1.00 0.00 C ATOM 391 C LYS A 39 -11.190 -0.657 5.477 1.00 0.00 C ATOM 392 O LYS A 39 -11.467 -1.727 6.008 1.00 0.00 O ATOM 393 CB LYS A 39 -12.679 1.119 4.951 1.00 0.00 C ATOM 394 CG LYS A 39 -13.275 2.496 5.210 1.00 0.00 C ATOM 395 CD LYS A 39 -14.437 2.766 4.263 1.00 0.00 C ATOM 396 CE LYS A 39 -14.050 2.541 2.811 1.00 0.00 C ATOM 397 NZ LYS A 39 -15.190 2.722 1.899 1.00 0.00 N ATOM 0 H LYS A 39 -10.547 2.177 5.369 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.194 0.476 6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.165 1.142 3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.495 0.402 4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.618 2.561 6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.508 3.260 5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.273 2.116 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.779 3.793 4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.254 3.233 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.650 1.534 2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.880 2.559 0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.940 2.044 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.556 3.691 1.989 1.00 0.00 H new ATOM 411 N ARG A 40 -10.373 -0.542 4.469 1.00 0.00 N ATOM 412 CA ARG A 40 -10.036 -1.664 3.696 1.00 0.00 C ATOM 413 C ARG A 40 -8.869 -2.355 4.324 1.00 0.00 C ATOM 414 O ARG A 40 -8.585 -3.458 4.000 1.00 0.00 O ATOM 415 CB ARG A 40 -9.747 -1.196 2.279 1.00 0.00 C ATOM 416 CG ARG A 40 -9.655 -2.270 1.248 1.00 0.00 C ATOM 417 CD ARG A 40 -10.955 -3.053 1.144 1.00 0.00 C ATOM 418 NE ARG A 40 -11.122 -3.675 -0.172 1.00 0.00 N ATOM 419 CZ ARG A 40 -10.838 -4.938 -0.502 1.00 0.00 C ATOM 420 NH1 ARG A 40 -10.243 -5.750 0.360 1.00 0.00 N ATOM 421 NH2 ARG A 40 -11.161 -5.381 -1.703 1.00 0.00 N ATOM 0 H ARG A 40 -9.934 0.331 4.176 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.853 -2.385 3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.529 -0.498 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.809 -0.641 2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.416 -1.828 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.839 -2.948 1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.975 -3.824 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.795 -2.386 1.338 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.494 -3.082 -0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.995 -5.413 1.290 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.033 -6.712 0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.623 -4.761 -2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.949 -6.344 -1.966 1.00 0.00 H new ATOM 435 N TYR A 41 -8.208 -1.644 5.215 1.00 0.00 N ATOM 436 CA TYR A 41 -7.070 -2.115 6.032 1.00 0.00 C ATOM 437 C TYR A 41 -7.168 -3.573 6.455 1.00 0.00 C ATOM 438 O TYR A 41 -6.367 -4.410 6.035 1.00 0.00 O ATOM 439 CB TYR A 41 -7.010 -1.242 7.258 1.00 0.00 C ATOM 440 CG TYR A 41 -5.869 -1.489 8.191 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.635 -0.911 7.980 1.00 0.00 C ATOM 442 CD2 TYR A 41 -6.045 -2.285 9.304 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.605 -1.119 8.858 1.00 0.00 C ATOM 444 CE2 TYR A 41 -5.034 -2.511 10.181 1.00 0.00 C ATOM 445 CZ TYR A 41 -3.804 -1.922 9.961 1.00 0.00 C ATOM 446 OH TYR A 41 -2.774 -2.121 10.852 1.00 0.00 O ATOM 0 H TYR A 41 -8.449 -0.672 5.411 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.170 -2.047 5.421 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.969 -0.202 6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.939 -1.368 7.813 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.479 -0.287 7.112 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.009 -2.739 9.481 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.644 -0.657 8.688 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.190 -3.145 11.042 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.076 -2.710 11.575 1.00 0.00 H new ATOM 456 N VAL A 42 -8.125 -3.854 7.268 1.00 0.00 N ATOM 457 CA VAL A 42 -8.330 -5.176 7.789 1.00 0.00 C ATOM 458 C VAL A 42 -8.595 -6.185 6.648 1.00 0.00 C ATOM 459 O VAL A 42 -8.101 -7.328 6.673 1.00 0.00 O ATOM 460 CB VAL A 42 -9.434 -5.133 8.869 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.596 -4.290 8.396 1.00 0.00 C ATOM 462 CG2 VAL A 42 -9.884 -6.520 9.277 1.00 0.00 C ATOM 0 H VAL A 42 -8.802 -3.167 7.600 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.425 -5.536 8.278 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.012 -4.669 9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.367 -4.268 9.166 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.252 -3.275 8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.008 -4.718 7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.661 -6.441 10.038 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.280 -7.045 8.407 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.036 -7.074 9.680 1.00 0.00 H new ATOM 472 N GLU A 43 -9.282 -5.726 5.619 1.00 0.00 N ATOM 473 CA GLU A 43 -9.504 -6.518 4.432 1.00 0.00 C ATOM 474 C GLU A 43 -8.233 -6.662 3.605 1.00 0.00 C ATOM 475 O GLU A 43 -8.090 -7.633 2.944 1.00 0.00 O ATOM 476 CB GLU A 43 -10.639 -5.972 3.552 1.00 0.00 C ATOM 477 CG GLU A 43 -12.057 -6.361 3.958 1.00 0.00 C ATOM 478 CD GLU A 43 -12.496 -5.834 5.290 1.00 0.00 C ATOM 479 OE1 GLU A 43 -12.965 -4.687 5.351 1.00 0.00 O ATOM 480 OE2 GLU A 43 -12.441 -6.577 6.283 1.00 0.00 O ATOM 0 H GLU A 43 -9.699 -4.796 5.586 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.807 -7.502 4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.572 -4.884 3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.471 -6.310 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.749 -6.004 3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.131 -7.448 3.971 1.00 0.00 H new ATOM 487 N LEU A 44 -7.296 -5.712 3.635 1.00 0.00 N ATOM 488 CA LEU A 44 -6.099 -5.908 2.837 1.00 0.00 C ATOM 489 C LEU A 44 -5.126 -6.790 3.565 1.00 0.00 C ATOM 490 O LEU A 44 -4.303 -7.440 2.968 1.00 0.00 O ATOM 491 CB LEU A 44 -5.476 -4.599 2.306 1.00 0.00 C ATOM 492 CG LEU A 44 -4.915 -3.599 3.291 1.00 0.00 C ATOM 493 CD1 LEU A 44 -3.435 -3.429 3.074 1.00 0.00 C ATOM 494 CD2 LEU A 44 -5.607 -2.281 3.123 1.00 0.00 C ATOM 0 H LEU A 44 -7.340 -4.847 4.173 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.398 -6.429 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.673 -4.872 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.238 -4.088 1.717 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.082 -3.968 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.043 -2.706 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.934 -4.387 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.255 -3.071 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.200 -1.563 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.451 -1.915 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.675 -2.405 3.303 1.00 0.00 H new ATOM 506 N LYS A 45 -5.272 -6.842 4.864 1.00 0.00 N ATOM 507 CA LYS A 45 -4.498 -7.750 5.669 1.00 0.00 C ATOM 508 C LYS A 45 -5.043 -9.174 5.481 1.00 0.00 C ATOM 509 O LYS A 45 -4.287 -10.145 5.351 1.00 0.00 O ATOM 510 CB LYS A 45 -4.569 -7.329 7.150 1.00 0.00 C ATOM 511 CG LYS A 45 -3.719 -8.170 8.094 1.00 0.00 C ATOM 512 CD LYS A 45 -3.834 -7.674 9.529 1.00 0.00 C ATOM 513 CE LYS A 45 -2.958 -8.486 10.469 1.00 0.00 C ATOM 514 NZ LYS A 45 -3.054 -8.026 11.875 1.00 0.00 N ATOM 0 H LYS A 45 -5.925 -6.261 5.390 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.454 -7.725 5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.257 -6.288 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.607 -7.378 7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.034 -9.212 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.677 -8.136 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.546 -6.624 9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.873 -7.734 9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.247 -9.536 10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.921 -8.423 10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.438 -8.612 12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.753 -7.032 11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.038 -8.111 12.202 1.00 0.00 H new ATOM 528 N LYS A 46 -6.359 -9.288 5.417 1.00 0.00 N ATOM 529 CA LYS A 46 -7.002 -10.586 5.308 1.00 0.00 C ATOM 530 C LYS A 46 -7.042 -11.080 3.861 1.00 0.00 C ATOM 531 O LYS A 46 -6.901 -12.277 3.607 1.00 0.00 O ATOM 532 CB LYS A 46 -8.431 -10.524 5.887 1.00 0.00 C ATOM 533 CG LYS A 46 -9.496 -9.972 4.940 1.00 0.00 C ATOM 534 CD LYS A 46 -10.657 -9.327 5.709 1.00 0.00 C ATOM 535 CE LYS A 46 -11.336 -10.306 6.656 1.00 0.00 C ATOM 536 NZ LYS A 46 -12.469 -9.696 7.383 1.00 0.00 N ATOM 0 H LYS A 46 -7.003 -8.497 5.439 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.409 -11.296 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.725 -11.528 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.414 -9.909 6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.046 -9.235 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.878 -10.777 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.285 -8.474 6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.390 -8.942 5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.693 -11.166 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.605 -10.678 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.305 -9.771 8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.552 -8.694 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.348 -10.193 7.136 1.00 0.00 H new ATOM 550 N ALA A 47 -7.223 -10.173 2.911 1.00 0.00 N ATOM 551 CA ALA A 47 -7.408 -10.582 1.551 1.00 0.00 C ATOM 552 C ALA A 47 -6.083 -10.738 0.817 1.00 0.00 C ATOM 553 O ALA A 47 -6.013 -11.321 -0.277 1.00 0.00 O ATOM 554 CB ALA A 47 -8.325 -9.644 0.785 1.00 0.00 C ATOM 0 H ALA A 47 -7.244 -9.165 3.067 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.890 -11.558 1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.433 -9.998 -0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.303 -9.619 1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.898 -8.641 0.780 1.00 0.00 H new ATOM 560 N ASN A 48 -5.034 -10.218 1.412 1.00 0.00 N ATOM 561 CA ASN A 48 -3.718 -10.242 0.850 1.00 0.00 C ATOM 562 C ASN A 48 -2.829 -10.844 1.957 1.00 0.00 C ATOM 563 O ASN A 48 -2.213 -10.127 2.725 1.00 0.00 O ATOM 564 CB ASN A 48 -3.206 -8.795 0.488 1.00 0.00 C ATOM 565 CG ASN A 48 -4.090 -7.921 -0.457 1.00 0.00 C ATOM 566 OD1 ASN A 48 -5.303 -8.091 -0.546 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.491 -6.912 -1.121 1.00 0.00 N ATOM 0 H ASN A 48 -5.081 -9.758 2.321 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.699 -10.815 -0.077 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.069 -8.246 1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.222 -8.894 0.029 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.046 -6.284 -1.702 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.483 -6.777 -1.042 1.00 0.00 H new ATOM 574 N PRO A 49 -2.859 -12.179 2.119 1.00 0.00 N ATOM 575 CA PRO A 49 -2.153 -12.890 3.216 1.00 0.00 C ATOM 576 C PRO A 49 -0.655 -12.790 3.111 1.00 0.00 C ATOM 577 O PRO A 49 0.034 -12.405 4.046 1.00 0.00 O ATOM 578 CB PRO A 49 -2.617 -14.336 3.050 1.00 0.00 C ATOM 579 CG PRO A 49 -2.983 -14.423 1.616 1.00 0.00 C ATOM 580 CD PRO A 49 -3.605 -13.106 1.274 1.00 0.00 C ATOM 0 HA PRO A 49 -2.383 -12.463 4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.827 -15.042 3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.467 -14.561 3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.105 -14.613 0.999 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.680 -15.242 1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.497 -12.868 0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.672 -13.090 1.497 1.00 0.00 H new ATOM 588 N ASP A 50 -0.177 -13.094 1.958 1.00 0.00 N ATOM 589 CA ASP A 50 1.266 -13.016 1.650 1.00 0.00 C ATOM 590 C ASP A 50 1.632 -11.565 1.269 1.00 0.00 C ATOM 591 O ASP A 50 2.561 -11.284 0.490 1.00 0.00 O ATOM 592 CB ASP A 50 1.630 -14.014 0.531 1.00 0.00 C ATOM 593 CG ASP A 50 3.129 -14.105 0.250 1.00 0.00 C ATOM 594 OD1 ASP A 50 3.885 -14.526 1.132 1.00 0.00 O ATOM 595 OD2 ASP A 50 3.567 -13.751 -0.868 1.00 0.00 O ATOM 0 H ASP A 50 -0.751 -13.409 1.176 1.00 0.00 H new ATOM 0 HA ASP A 50 1.847 -13.293 2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.260 -15.002 0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.115 -13.723 -0.385 1.00 0.00 H new ATOM 600 N LEU A 51 0.906 -10.649 1.838 1.00 0.00 N ATOM 601 CA LEU A 51 1.121 -9.281 1.638 1.00 0.00 C ATOM 602 C LEU A 51 1.242 -8.609 3.028 1.00 0.00 C ATOM 603 O LEU A 51 0.246 -8.411 3.707 1.00 0.00 O ATOM 604 CB LEU A 51 -0.061 -8.738 0.795 1.00 0.00 C ATOM 605 CG LEU A 51 -0.057 -7.273 0.320 1.00 0.00 C ATOM 606 CD1 LEU A 51 -0.497 -6.303 1.379 1.00 0.00 C ATOM 607 CD2 LEU A 51 1.287 -6.915 -0.134 1.00 0.00 C ATOM 0 H LEU A 51 0.131 -10.858 2.468 1.00 0.00 H new ATOM 0 HA LEU A 51 2.041 -9.069 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.143 -9.366 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.970 -8.888 1.377 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.778 -7.203 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.471 -5.290 0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.513 -6.543 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.173 -6.371 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.293 -5.878 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.992 -7.033 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.578 -7.566 -0.958 1.00 0.00 H new ATOM 619 N PRO A 52 2.483 -8.412 3.509 1.00 0.00 N ATOM 620 CA PRO A 52 2.773 -7.685 4.771 1.00 0.00 C ATOM 621 C PRO A 52 2.173 -6.304 4.799 1.00 0.00 C ATOM 622 O PRO A 52 2.325 -5.561 3.838 1.00 0.00 O ATOM 623 CB PRO A 52 4.264 -7.525 4.709 1.00 0.00 C ATOM 624 CG PRO A 52 4.721 -8.719 3.989 1.00 0.00 C ATOM 625 CD PRO A 52 3.708 -8.962 2.928 1.00 0.00 C ATOM 0 HA PRO A 52 2.376 -8.215 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.546 -6.611 4.186 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.701 -7.469 5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.710 -8.562 3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.798 -9.575 4.660 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.972 -8.462 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.606 -10.024 2.703 1.00 0.00 H new ATOM 633 N ILE A 53 1.607 -5.941 5.937 1.00 0.00 N ATOM 634 CA ILE A 53 0.882 -4.687 6.099 1.00 0.00 C ATOM 635 C ILE A 53 1.595 -3.809 7.153 1.00 0.00 C ATOM 636 O ILE A 53 1.424 -4.026 8.359 1.00 0.00 O ATOM 637 CB ILE A 53 -0.572 -4.932 6.640 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.295 -6.093 5.923 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.410 -3.652 6.555 1.00 0.00 C ATOM 640 CD1 ILE A 53 -1.607 -5.866 4.470 1.00 0.00 C ATOM 0 H ILE A 53 1.636 -6.511 6.783 1.00 0.00 H new ATOM 0 HA ILE A 53 0.847 -4.208 5.121 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.464 -5.222 7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.679 -6.988 6.008 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.228 -6.296 6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.413 -3.848 6.935 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.941 -2.870 7.152 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.473 -3.327 5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.114 -6.742 4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.253 -4.994 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.681 -5.697 3.921 1.00 0.00 H new ATOM 652 N LEU A 54 2.418 -2.878 6.719 1.00 0.00 N ATOM 653 CA LEU A 54 3.078 -1.942 7.644 1.00 0.00 C ATOM 654 C LEU A 54 2.713 -0.501 7.273 1.00 0.00 C ATOM 655 O LEU A 54 2.392 -0.230 6.118 1.00 0.00 O ATOM 656 CB LEU A 54 4.625 -2.103 7.654 1.00 0.00 C ATOM 657 CG LEU A 54 5.234 -3.426 8.181 1.00 0.00 C ATOM 658 CD1 LEU A 54 4.691 -3.788 9.551 1.00 0.00 C ATOM 659 CD2 LEU A 54 5.081 -4.579 7.190 1.00 0.00 C ATOM 0 H LEU A 54 2.654 -2.738 5.737 1.00 0.00 H new ATOM 0 HA LEU A 54 2.720 -2.176 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.978 -1.961 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.038 -1.289 8.250 1.00 0.00 H new ATOM 0 HG LEU A 54 6.304 -3.251 8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.142 -4.722 9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.931 -2.995 10.259 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.609 -3.908 9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.525 -5.481 7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.023 -4.753 6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.586 -4.327 6.257 1.00 0.00 H new ATOM 671 N ILE A 55 2.767 0.421 8.238 1.00 0.00 N ATOM 672 CA ILE A 55 2.404 1.823 8.006 1.00 0.00 C ATOM 673 C ILE A 55 3.546 2.742 8.470 1.00 0.00 C ATOM 674 O ILE A 55 4.078 2.589 9.562 1.00 0.00 O ATOM 675 CB ILE A 55 1.053 2.268 8.727 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.188 1.463 8.256 1.00 0.00 C ATOM 677 CG2 ILE A 55 0.785 3.759 8.530 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.300 0.056 8.812 1.00 0.00 C ATOM 0 H ILE A 55 3.061 0.220 9.194 1.00 0.00 H new ATOM 0 HA ILE A 55 2.236 1.916 6.933 1.00 0.00 H new ATOM 0 HB ILE A 55 1.206 2.055 9.785 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.085 2.017 8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.171 1.405 7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.143 4.032 9.033 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.609 4.335 8.951 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.697 3.975 7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.200 -0.419 8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.574 -0.523 8.515 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.355 0.098 9.900 1.00 0.00 H new ATOM 690 N ARG A 56 3.942 3.634 7.614 1.00 0.00 N ATOM 691 CA ARG A 56 4.986 4.630 7.850 1.00 0.00 C ATOM 692 C ARG A 56 4.446 6.022 7.699 1.00 0.00 C ATOM 693 O ARG A 56 3.315 6.215 7.258 1.00 0.00 O ATOM 694 CB ARG A 56 6.120 4.504 6.872 1.00 0.00 C ATOM 695 CG ARG A 56 6.984 3.275 7.002 1.00 0.00 C ATOM 696 CD ARG A 56 7.573 3.097 8.403 1.00 0.00 C ATOM 697 NE ARG A 56 6.770 2.188 9.252 1.00 0.00 N ATOM 698 CZ ARG A 56 7.272 1.106 9.884 1.00 0.00 C ATOM 699 NH1 ARG A 56 8.590 0.911 9.923 1.00 0.00 N ATOM 700 NH2 ARG A 56 6.464 0.247 10.514 1.00 0.00 N ATOM 0 H ARG A 56 3.536 3.705 6.681 1.00 0.00 H new ATOM 0 HA ARG A 56 5.341 4.449 8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.706 4.525 5.864 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.758 5.382 6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.393 2.395 6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.797 3.332 6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.587 2.707 8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.645 4.070 8.888 1.00 0.00 H new ATOM 0 HE ARG A 56 5.777 2.392 9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.218 1.579 9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.971 0.094 10.400 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.456 0.406 10.521 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.855 -0.567 10.988 1.00 0.00 H new ATOM 714 N GLU A 57 5.268 6.983 8.021 1.00 0.00 N ATOM 715 CA GLU A 57 4.895 8.368 7.940 1.00 0.00 C ATOM 716 C GLU A 57 5.793 9.105 6.955 1.00 0.00 C ATOM 717 O GLU A 57 7.017 9.107 7.107 1.00 0.00 O ATOM 718 CB GLU A 57 5.023 9.078 9.290 1.00 0.00 C ATOM 719 CG GLU A 57 4.271 8.455 10.442 1.00 0.00 C ATOM 720 CD GLU A 57 4.298 9.334 11.673 1.00 0.00 C ATOM 721 OE1 GLU A 57 5.340 9.966 11.965 1.00 0.00 O ATOM 722 OE2 GLU A 57 3.256 9.459 12.353 1.00 0.00 O ATOM 0 H GLU A 57 6.221 6.826 8.349 1.00 0.00 H new ATOM 0 HA GLU A 57 3.855 8.386 7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.079 9.124 9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.679 10.105 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.237 8.276 10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.708 7.485 10.679 1.00 0.00 H new ATOM 729 N CYS A 58 5.171 9.697 5.939 1.00 0.00 N ATOM 730 CA CYS A 58 5.822 10.658 5.028 1.00 0.00 C ATOM 731 C CYS A 58 6.872 10.042 4.074 1.00 0.00 C ATOM 732 O CYS A 58 7.283 8.892 4.251 1.00 0.00 O ATOM 733 CB CYS A 58 6.456 11.821 5.839 1.00 0.00 C ATOM 734 SG CYS A 58 5.305 12.897 6.825 1.00 0.00 S ATOM 0 H CYS A 58 4.190 9.527 5.715 1.00 0.00 H new ATOM 0 HA CYS A 58 5.025 11.029 4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.189 11.395 6.524 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.002 12.459 5.144 1.00 0.00 H new ATOM 739 N SER A 59 7.198 10.829 3.006 1.00 0.00 N ATOM 740 CA SER A 59 8.289 10.592 2.019 1.00 0.00 C ATOM 741 C SER A 59 8.043 11.438 0.757 1.00 0.00 C ATOM 742 O SER A 59 8.889 12.217 0.340 1.00 0.00 O ATOM 743 CB SER A 59 8.503 9.106 1.645 1.00 0.00 C ATOM 744 OG SER A 59 7.341 8.500 1.083 1.00 0.00 O ATOM 0 H SER A 59 6.681 11.685 2.803 1.00 0.00 H new ATOM 0 HA SER A 59 9.213 10.901 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.325 9.031 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.800 8.552 2.535 1.00 0.00 H new ATOM 0 HG SER A 59 7.105 7.703 1.601 1.00 0.00 H new ATOM 750 N ASP A 60 6.853 11.301 0.189 1.00 0.00 N ATOM 751 CA ASP A 60 6.435 12.035 -0.987 1.00 0.00 C ATOM 752 C ASP A 60 5.065 12.554 -0.632 1.00 0.00 C ATOM 753 O ASP A 60 4.695 12.408 0.531 1.00 0.00 O ATOM 754 CB ASP A 60 6.356 11.107 -2.223 1.00 0.00 C ATOM 755 CG ASP A 60 7.669 10.427 -2.590 1.00 0.00 C ATOM 756 OD1 ASP A 60 8.471 11.010 -3.328 1.00 0.00 O ATOM 757 OD2 ASP A 60 7.901 9.266 -2.158 1.00 0.00 O ATOM 0 H ASP A 60 6.140 10.663 0.543 1.00 0.00 H new ATOM 0 HA ASP A 60 7.135 12.830 -1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.604 10.340 -2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.013 11.690 -3.078 1.00 0.00 H new ATOM 762 N VAL A 61 4.279 13.019 -1.608 1.00 0.00 N ATOM 763 CA VAL A 61 2.957 13.691 -1.380 1.00 0.00 C ATOM 764 C VAL A 61 2.144 13.116 -0.198 1.00 0.00 C ATOM 765 O VAL A 61 1.967 13.770 0.815 1.00 0.00 O ATOM 766 CB VAL A 61 2.078 13.675 -2.672 1.00 0.00 C ATOM 767 CG1 VAL A 61 0.686 14.246 -2.421 1.00 0.00 C ATOM 768 CG2 VAL A 61 2.750 14.462 -3.768 1.00 0.00 C ATOM 0 H VAL A 61 4.528 12.948 -2.595 1.00 0.00 H new ATOM 0 HA VAL A 61 3.213 14.717 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 61 1.968 12.634 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.108 14.216 -3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.182 13.653 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.772 15.278 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.128 14.444 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.888 15.493 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.721 14.019 -3.991 1.00 0.00 H new ATOM 778 N GLN A 62 1.757 11.880 -0.296 1.00 0.00 N ATOM 779 CA GLN A 62 0.880 11.286 0.720 1.00 0.00 C ATOM 780 C GLN A 62 0.772 9.760 0.634 1.00 0.00 C ATOM 781 O GLN A 62 1.250 9.092 1.505 1.00 0.00 O ATOM 782 CB GLN A 62 -0.537 11.925 0.825 1.00 0.00 C ATOM 783 CG GLN A 62 -1.451 11.095 1.737 1.00 0.00 C ATOM 784 CD GLN A 62 -2.761 11.728 2.108 1.00 0.00 C ATOM 785 OE1 GLN A 62 -3.302 11.434 3.160 1.00 0.00 O ATOM 786 NE2 GLN A 62 -3.272 12.598 1.298 1.00 0.00 N ATOM 0 H GLN A 62 2.021 11.252 -1.055 1.00 0.00 H new ATOM 0 HA GLN A 62 1.400 11.532 1.646 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.454 12.940 1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.980 12.000 -0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.656 10.144 1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.907 10.868 2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.796 12.823 0.425 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.151 13.059 1.533 1.00 0.00 H new ATOM 795 N PRO A 63 0.218 9.183 -0.436 1.00 0.00 N ATOM 796 CA PRO A 63 -0.066 7.760 -0.478 1.00 0.00 C ATOM 797 C PRO A 63 1.022 6.949 -1.131 1.00 0.00 C ATOM 798 O PRO A 63 0.870 6.549 -2.257 1.00 0.00 O ATOM 799 CB PRO A 63 -1.301 7.701 -1.368 1.00 0.00 C ATOM 800 CG PRO A 63 -1.354 9.004 -2.107 1.00 0.00 C ATOM 801 CD PRO A 63 -0.174 9.816 -1.689 1.00 0.00 C ATOM 0 HA PRO A 63 -0.175 7.351 0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.239 6.863 -2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.202 7.556 -0.772 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.338 8.833 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.280 9.533 -1.882 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.626 9.780 -2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.433 10.866 -1.550 1.00 0.00 H new ATOM 809 N LYS A 64 2.097 6.706 -0.461 1.00 0.00 N ATOM 810 CA LYS A 64 3.175 5.958 -1.096 1.00 0.00 C ATOM 811 C LYS A 64 3.133 4.564 -0.572 1.00 0.00 C ATOM 812 O LYS A 64 2.939 4.357 0.623 1.00 0.00 O ATOM 813 CB LYS A 64 4.588 6.519 -0.765 1.00 0.00 C ATOM 814 CG LYS A 64 4.930 7.946 -1.199 1.00 0.00 C ATOM 815 CD LYS A 64 4.135 9.023 -0.479 1.00 0.00 C ATOM 816 CE LYS A 64 4.399 9.028 1.043 1.00 0.00 C ATOM 817 NZ LYS A 64 3.723 10.139 1.776 1.00 0.00 N ATOM 0 H LYS A 64 2.269 6.997 0.501 1.00 0.00 H new ATOM 0 HA LYS A 64 3.024 6.025 -2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.723 6.460 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.323 5.851 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.993 8.120 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.758 8.039 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.391 9.998 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.071 8.869 -0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.068 8.077 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.473 9.095 1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.245 10.345 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.703 10.989 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.750 9.858 2.011 1.00 0.00 H new ATOM 831 N LEU A 65 3.326 3.626 -1.424 1.00 0.00 N ATOM 832 CA LEU A 65 3.364 2.258 -0.994 1.00 0.00 C ATOM 833 C LEU A 65 4.713 1.712 -1.159 1.00 0.00 C ATOM 834 O LEU A 65 5.212 1.622 -2.271 1.00 0.00 O ATOM 835 CB LEU A 65 2.369 1.411 -1.737 1.00 0.00 C ATOM 836 CG LEU A 65 1.010 1.159 -1.025 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.217 0.333 0.229 1.00 0.00 C ATOM 838 CD2 LEU A 65 0.306 2.455 -0.662 1.00 0.00 C ATOM 0 H LEU A 65 3.461 3.769 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 65 3.093 2.238 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.169 1.883 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.830 0.446 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 65 0.378 0.616 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.257 0.165 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.662 -0.626 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.881 0.865 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.639 2.230 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.938 3.037 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.113 3.030 -1.568 1.00 0.00 H new ATOM 850 N TRP A 66 5.332 1.414 -0.074 1.00 0.00 N ATOM 851 CA TRP A 66 6.603 0.809 -0.117 1.00 0.00 C ATOM 852 C TRP A 66 6.414 -0.684 -0.255 1.00 0.00 C ATOM 853 O TRP A 66 5.619 -1.273 0.461 1.00 0.00 O ATOM 854 CB TRP A 66 7.442 1.126 1.149 1.00 0.00 C ATOM 855 CG TRP A 66 8.605 0.197 1.323 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.675 -0.903 2.127 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.814 0.261 0.631 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.876 -1.529 1.953 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.601 -0.817 1.032 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.300 1.132 -0.290 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.863 -1.019 0.505 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.524 0.934 -0.807 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.290 -0.107 -0.427 1.00 0.00 C ATOM 0 H TRP A 66 4.969 1.584 0.864 1.00 0.00 H new ATOM 0 HA TRP A 66 7.152 1.209 -0.969 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.808 2.151 1.090 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.801 1.067 2.028 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.897 -1.230 2.801 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.181 -2.379 2.426 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.707 1.978 -0.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.480 -1.851 0.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.903 1.626 -1.545 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.268 -0.227 -0.869 1.00 0.00 H new ATOM 874 N ALA A 67 7.132 -1.258 -1.146 1.00 0.00 N ATOM 875 CA ALA A 67 7.114 -2.649 -1.365 1.00 0.00 C ATOM 876 C ALA A 67 8.532 -3.143 -1.499 1.00 0.00 C ATOM 877 O ALA A 67 9.365 -2.492 -2.155 1.00 0.00 O ATOM 878 CB ALA A 67 6.332 -2.971 -2.624 1.00 0.00 C ATOM 0 H ALA A 67 7.769 -0.753 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 67 6.631 -3.143 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.325 -4.049 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.308 -2.614 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.800 -2.482 -3.478 1.00 0.00 H new ATOM 884 N ARG A 68 8.820 -4.243 -0.862 1.00 0.00 N ATOM 885 CA ARG A 68 10.059 -4.899 -0.991 1.00 0.00 C ATOM 886 C ARG A 68 9.674 -6.335 -1.216 1.00 0.00 C ATOM 887 O ARG A 68 9.250 -7.066 -0.306 1.00 0.00 O ATOM 888 CB ARG A 68 10.953 -4.754 0.240 1.00 0.00 C ATOM 889 CG ARG A 68 12.405 -5.084 -0.043 1.00 0.00 C ATOM 890 CD ARG A 68 13.162 -3.886 -0.631 1.00 0.00 C ATOM 891 NE ARG A 68 14.471 -4.273 -1.163 1.00 0.00 N ATOM 892 CZ ARG A 68 15.553 -3.492 -1.227 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.552 -2.297 -0.652 1.00 0.00 N ATOM 894 NH2 ARG A 68 16.653 -3.931 -1.829 1.00 0.00 N ATOM 0 H ARG A 68 8.172 -4.708 -0.226 1.00 0.00 H new ATOM 0 HA ARG A 68 10.654 -4.473 -1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.884 -3.733 0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.584 -5.409 1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.891 -5.403 0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.458 -5.923 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.567 -3.435 -1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.294 -3.126 0.140 1.00 0.00 H new ATOM 0 HE ARG A 68 14.565 -5.225 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.722 -1.970 -0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.381 -1.705 -0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.671 -4.864 -2.242 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.480 -3.335 -1.878 1.00 0.00 H new ATOM 908 N TYR A 69 9.655 -6.657 -2.430 1.00 0.00 N ATOM 909 CA TYR A 69 9.194 -7.956 -2.915 1.00 0.00 C ATOM 910 C TYR A 69 10.234 -9.044 -2.647 1.00 0.00 C ATOM 911 O TYR A 69 11.388 -8.748 -2.399 1.00 0.00 O ATOM 912 CB TYR A 69 8.961 -7.920 -4.435 1.00 0.00 C ATOM 913 CG TYR A 69 8.233 -6.709 -4.972 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.872 -6.620 -4.943 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.936 -5.662 -5.530 1.00 0.00 C ATOM 916 CE1 TYR A 69 6.230 -5.517 -5.451 1.00 0.00 C ATOM 917 CE2 TYR A 69 8.303 -4.561 -6.045 1.00 0.00 C ATOM 918 CZ TYR A 69 6.945 -4.494 -6.000 1.00 0.00 C ATOM 919 OH TYR A 69 6.299 -3.412 -6.524 1.00 0.00 O ATOM 0 H TYR A 69 9.962 -6.031 -3.175 1.00 0.00 H new ATOM 0 HA TYR A 69 8.266 -8.176 -2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.929 -7.985 -4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.398 -8.810 -4.716 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.293 -7.426 -4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.014 -5.711 -5.562 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.152 -5.460 -5.415 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.876 -3.756 -6.481 1.00 0.00 H new ATOM 0 HH TYR A 69 6.957 -2.775 -6.873 1.00 0.00 H new ATOM 929 N ALA A 70 9.827 -10.309 -2.764 1.00 0.00 N ATOM 930 CA ALA A 70 10.773 -11.442 -2.637 1.00 0.00 C ATOM 931 C ALA A 70 11.418 -11.707 -3.966 1.00 0.00 C ATOM 932 O ALA A 70 12.374 -12.482 -4.084 1.00 0.00 O ATOM 933 CB ALA A 70 10.106 -12.677 -2.083 1.00 0.00 C ATOM 0 H ALA A 70 8.861 -10.583 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 70 11.546 -11.168 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.837 -13.482 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.702 -12.460 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.297 -12.983 -2.747 1.00 0.00 H new ATOM 939 N PHE A 71 10.908 -11.015 -4.973 1.00 0.00 N ATOM 940 CA PHE A 71 11.571 -10.934 -6.252 1.00 0.00 C ATOM 941 C PHE A 71 12.828 -10.096 -6.028 1.00 0.00 C ATOM 942 O PHE A 71 13.728 -10.049 -6.841 1.00 0.00 O ATOM 943 CB PHE A 71 10.663 -10.261 -7.285 1.00 0.00 C ATOM 944 CG PHE A 71 9.332 -10.940 -7.461 1.00 0.00 C ATOM 945 CD1 PHE A 71 9.244 -12.178 -8.074 1.00 0.00 C ATOM 946 CD2 PHE A 71 8.167 -10.332 -7.022 1.00 0.00 C ATOM 947 CE1 PHE A 71 8.024 -12.797 -8.241 1.00 0.00 C ATOM 948 CE2 PHE A 71 6.945 -10.948 -7.187 1.00 0.00 C ATOM 949 CZ PHE A 71 6.873 -12.182 -7.798 1.00 0.00 C ATOM 0 H PHE A 71 10.029 -10.500 -4.921 1.00 0.00 H new ATOM 0 HA PHE A 71 11.815 -11.926 -6.633 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.495 -9.226 -6.987 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.177 -10.237 -8.246 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.142 -12.665 -8.426 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.217 -9.364 -6.545 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.970 -13.764 -8.719 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.045 -10.464 -6.838 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.916 -12.666 -7.929 1.00 0.00 H new ATOM 959 N GLY A 72 12.828 -9.429 -4.878 1.00 0.00 N ATOM 960 CA GLY A 72 13.924 -8.673 -4.412 1.00 0.00 C ATOM 961 C GLY A 72 14.029 -7.359 -5.108 1.00 0.00 C ATOM 962 O GLY A 72 15.112 -6.836 -5.343 1.00 0.00 O ATOM 0 H GLY A 72 12.028 -9.416 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.822 -8.508 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.844 -9.238 -4.562 1.00 0.00 H new ATOM 966 N GLN A 73 12.882 -6.845 -5.453 1.00 0.00 N ATOM 967 CA GLN A 73 12.745 -5.562 -6.074 1.00 0.00 C ATOM 968 C GLN A 73 12.088 -4.656 -5.052 1.00 0.00 C ATOM 969 O GLN A 73 11.560 -5.160 -4.023 1.00 0.00 O ATOM 970 CB GLN A 73 11.859 -5.670 -7.318 1.00 0.00 C ATOM 971 CG GLN A 73 12.351 -6.648 -8.370 1.00 0.00 C ATOM 972 CD GLN A 73 11.445 -6.677 -9.579 1.00 0.00 C ATOM 973 OE1 GLN A 73 11.637 -5.919 -10.522 1.00 0.00 O ATOM 974 NE2 GLN A 73 10.476 -7.552 -9.579 1.00 0.00 N ATOM 0 H GLN A 73 11.993 -7.322 -5.305 1.00 0.00 H new ATOM 0 HA GLN A 73 13.714 -5.172 -6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.857 -5.966 -7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.773 -4.683 -7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.360 -6.373 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.411 -7.647 -7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.345 -8.168 -8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.850 -7.620 -10.381 1.00 0.00 H new ATOM 983 N GLU A 74 12.052 -3.380 -5.306 1.00 0.00 N ATOM 984 CA GLU A 74 11.496 -2.466 -4.349 1.00 0.00 C ATOM 985 C GLU A 74 10.769 -1.330 -5.041 1.00 0.00 C ATOM 986 O GLU A 74 10.928 -1.118 -6.243 1.00 0.00 O ATOM 987 CB GLU A 74 12.587 -1.906 -3.412 1.00 0.00 C ATOM 988 CG GLU A 74 13.497 -0.823 -4.002 1.00 0.00 C ATOM 989 CD GLU A 74 14.260 -1.249 -5.239 1.00 0.00 C ATOM 990 OE1 GLU A 74 15.179 -2.083 -5.134 1.00 0.00 O ATOM 991 OE2 GLU A 74 13.962 -0.733 -6.337 1.00 0.00 O ATOM 0 H GLU A 74 12.399 -2.950 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 74 10.778 -3.022 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.101 -1.499 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.212 -2.735 -3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.891 0.049 -4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.211 -0.511 -3.240 1.00 0.00 H new ATOM 998 N THR A 75 9.980 -0.628 -4.292 1.00 0.00 N ATOM 999 CA THR A 75 9.289 0.533 -4.762 1.00 0.00 C ATOM 1000 C THR A 75 8.651 1.193 -3.558 1.00 0.00 C ATOM 1001 O THR A 75 8.437 0.547 -2.562 1.00 0.00 O ATOM 1002 CB THR A 75 8.201 0.190 -5.854 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.736 1.392 -6.497 1.00 0.00 O ATOM 1004 CG2 THR A 75 7.005 -0.536 -5.251 1.00 0.00 C ATOM 0 H THR A 75 9.793 -0.850 -3.314 1.00 0.00 H new ATOM 0 HA THR A 75 9.997 1.202 -5.250 1.00 0.00 H new ATOM 0 HB THR A 75 8.678 -0.465 -6.583 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.064 1.163 -7.172 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.279 -0.754 -6.034 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.338 -1.468 -4.794 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.541 0.094 -4.492 1.00 0.00 H new ATOM 1012 N ASN A 76 8.451 2.458 -3.627 1.00 0.00 N ATOM 1013 CA ASN A 76 7.794 3.228 -2.588 1.00 0.00 C ATOM 1014 C ASN A 76 7.002 4.309 -3.278 1.00 0.00 C ATOM 1015 O ASN A 76 7.546 5.337 -3.669 1.00 0.00 O ATOM 1016 CB ASN A 76 8.814 3.773 -1.536 1.00 0.00 C ATOM 1017 CG ASN A 76 10.101 4.370 -2.131 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.142 5.559 -2.458 1.00 0.00 O ATOM 1019 ND2 ASN A 76 11.194 3.567 -2.212 1.00 0.00 N ATOM 0 H ASN A 76 8.742 3.021 -4.426 1.00 0.00 H new ATOM 0 HA ASN A 76 7.118 2.604 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.321 4.537 -0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.086 2.962 -0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.079 3.943 -2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.129 2.588 -1.934 1.00 0.00 H new ATOM 1026 N VAL A 77 5.711 4.066 -3.498 1.00 0.00 N ATOM 1027 CA VAL A 77 5.035 4.943 -4.474 1.00 0.00 C ATOM 1028 C VAL A 77 3.657 5.521 -4.210 1.00 0.00 C ATOM 1029 O VAL A 77 2.733 4.824 -3.836 1.00 0.00 O ATOM 1030 CB VAL A 77 5.123 4.328 -5.844 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.602 2.889 -5.871 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.527 5.171 -6.964 1.00 0.00 C ATOM 0 H VAL A 77 5.145 3.338 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 77 5.613 5.861 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 77 6.191 4.298 -6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.687 2.490 -6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.191 2.276 -5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.557 2.875 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.637 4.646 -7.913 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.469 5.344 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.047 6.127 -7.016 1.00 0.00 H new ATOM 1042 N PRO A 78 3.579 6.872 -4.407 1.00 0.00 N ATOM 1043 CA PRO A 78 2.354 7.674 -4.409 1.00 0.00 C ATOM 1044 C PRO A 78 1.403 7.164 -5.429 1.00 0.00 C ATOM 1045 O PRO A 78 1.584 7.317 -6.637 1.00 0.00 O ATOM 1046 CB PRO A 78 2.828 9.080 -4.758 1.00 0.00 C ATOM 1047 CG PRO A 78 4.262 9.076 -4.389 1.00 0.00 C ATOM 1048 CD PRO A 78 4.745 7.688 -4.643 1.00 0.00 C ATOM 0 HA PRO A 78 1.826 7.641 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.689 9.297 -5.817 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.275 9.837 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.820 9.799 -4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.397 9.351 -3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.115 7.573 -5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.563 7.420 -3.975 1.00 0.00 H new ATOM 1056 N LEU A 79 0.444 6.508 -4.930 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.524 5.856 -5.701 1.00 0.00 C ATOM 1058 C LEU A 79 -1.922 6.469 -5.495 1.00 0.00 C ATOM 1059 O LEU A 79 -2.951 5.807 -5.582 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.386 4.371 -5.394 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.416 3.854 -3.943 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -1.672 4.230 -3.185 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.273 2.351 -4.000 1.00 0.00 C ATOM 0 H LEU A 79 0.304 6.405 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.373 5.990 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.184 3.858 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.556 4.041 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 79 0.401 4.324 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.619 3.831 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.760 5.316 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.542 3.815 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.290 1.945 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.098 1.929 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.672 2.093 -4.479 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.897 7.775 -5.299 1.00 0.00 N ATOM 1076 CA ASN A 80 -3.092 8.655 -5.055 1.00 0.00 C ATOM 1077 C ASN A 80 -4.330 8.383 -5.915 1.00 0.00 C ATOM 1078 O ASN A 80 -5.449 8.387 -5.418 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.691 10.144 -5.165 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.874 11.119 -5.136 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -4.423 11.490 -6.179 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -4.271 11.537 -3.968 1.00 0.00 N ATOM 0 H ASN A 80 -1.023 8.300 -5.300 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.405 8.400 -4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.014 10.388 -4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.136 10.291 -6.092 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.054 12.187 -3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.799 11.214 -3.123 1.00 0.00 H new ATOM 1089 N ASN A 81 -4.127 8.111 -7.137 1.00 0.00 N ATOM 1090 CA ASN A 81 -5.235 8.013 -8.112 1.00 0.00 C ATOM 1091 C ASN A 81 -5.967 6.673 -8.132 1.00 0.00 C ATOM 1092 O ASN A 81 -6.645 6.352 -9.110 1.00 0.00 O ATOM 1093 CB ASN A 81 -4.770 8.390 -9.517 1.00 0.00 C ATOM 1094 CG ASN A 81 -4.449 9.866 -9.652 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -5.322 10.681 -9.975 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -3.227 10.225 -9.405 1.00 0.00 N ATOM 0 H ASN A 81 -3.203 7.942 -7.534 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.971 8.736 -7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.886 7.806 -9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.545 8.124 -10.235 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.960 11.207 -9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.533 9.525 -9.141 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.897 5.928 -7.071 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.603 4.683 -6.988 1.00 0.00 C ATOM 1105 C PHE A 82 -7.516 4.708 -5.785 1.00 0.00 C ATOM 1106 O PHE A 82 -7.222 5.365 -4.781 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.646 3.490 -6.902 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.734 3.307 -8.083 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -5.177 2.647 -9.212 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -3.429 3.780 -8.056 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -4.345 2.463 -10.294 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -2.593 3.600 -9.135 1.00 0.00 C ATOM 1113 CZ PHE A 82 -3.051 2.940 -10.256 1.00 0.00 C ATOM 0 H PHE A 82 -5.352 6.163 -6.241 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.190 4.561 -7.898 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.035 3.600 -6.006 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.235 2.582 -6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.189 2.270 -9.247 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.066 4.295 -7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.705 1.946 -11.171 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.581 3.975 -9.104 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.397 2.797 -11.104 1.00 0.00 H new ATOM 1123 N SER A 83 -8.641 4.080 -5.921 1.00 0.00 N ATOM 1124 CA SER A 83 -9.601 3.954 -4.850 1.00 0.00 C ATOM 1125 C SER A 83 -9.239 2.722 -3.967 1.00 0.00 C ATOM 1126 O SER A 83 -8.287 2.013 -4.284 1.00 0.00 O ATOM 1127 CB SER A 83 -11.017 3.865 -5.438 1.00 0.00 C ATOM 1128 OG SER A 83 -12.023 4.036 -4.437 1.00 0.00 O ATOM 0 H SER A 83 -8.931 3.630 -6.790 1.00 0.00 H new ATOM 0 HA SER A 83 -9.572 4.833 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.138 4.627 -6.208 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.148 2.898 -5.923 1.00 0.00 H new ATOM 0 HG SER A 83 -12.909 3.975 -4.850 1.00 0.00 H new ATOM 1134 N ALA A 84 -10.022 2.469 -2.898 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.725 1.435 -1.883 1.00 0.00 C ATOM 1136 C ALA A 84 -9.441 0.042 -2.495 1.00 0.00 C ATOM 1137 O ALA A 84 -8.359 -0.553 -2.305 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.880 1.330 -0.914 1.00 0.00 C ATOM 0 H ALA A 84 -10.885 2.980 -2.713 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.816 1.750 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.660 0.568 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.029 2.290 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.786 1.056 -1.456 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.404 -0.461 -3.257 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.293 -1.785 -3.889 1.00 0.00 C ATOM 1146 C ASP A 85 -9.251 -1.778 -4.966 1.00 0.00 C ATOM 1147 O ASP A 85 -8.608 -2.793 -5.233 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.624 -2.255 -4.481 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.659 -2.573 -3.443 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -13.414 -1.675 -3.037 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -12.750 -3.735 -3.011 1.00 0.00 O ATOM 0 H ASP A 85 -11.278 0.025 -3.458 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.002 -2.481 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.011 -1.482 -5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.449 -3.141 -5.092 1.00 0.00 H new ATOM 1156 N GLN A 86 -9.063 -0.630 -5.570 1.00 0.00 N ATOM 1157 CA GLN A 86 -8.089 -0.493 -6.615 1.00 0.00 C ATOM 1158 C GLN A 86 -6.714 -0.575 -6.070 1.00 0.00 C ATOM 1159 O GLN A 86 -5.915 -1.289 -6.614 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.313 0.761 -7.450 1.00 0.00 C ATOM 1161 CG GLN A 86 -9.568 0.681 -8.296 1.00 0.00 C ATOM 1162 CD GLN A 86 -9.489 -0.413 -9.355 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -8.306 -0.649 -9.879 1.00 0.00 O flip ATOM 1164 NE2 GLN A 86 -10.502 -1.023 -9.717 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.576 0.224 -5.352 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.217 -1.332 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.379 1.626 -6.790 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.451 0.920 -8.099 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.426 0.496 -7.650 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.736 1.642 -8.782 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.404 -0.814 -9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.436 -1.735 -10.444 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.440 0.100 -4.978 1.00 0.00 N ATOM 1174 CA VAL A 87 -5.138 -0.021 -4.381 1.00 0.00 C ATOM 1175 C VAL A 87 -4.893 -1.433 -3.865 1.00 0.00 C ATOM 1176 O VAL A 87 -3.849 -1.981 -4.112 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.782 1.062 -3.309 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.593 2.402 -3.944 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.834 1.186 -2.269 1.00 0.00 C ATOM 0 H VAL A 87 -7.087 0.724 -4.496 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.444 0.181 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.855 0.732 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.347 3.136 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.782 2.349 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.513 2.699 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.544 1.949 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.777 1.469 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.955 0.231 -1.758 1.00 0.00 H new ATOM 1189 N THR A 88 -5.884 -2.060 -3.234 1.00 0.00 N ATOM 1190 CA THR A 88 -5.670 -3.420 -2.723 1.00 0.00 C ATOM 1191 C THR A 88 -5.409 -4.450 -3.830 1.00 0.00 C ATOM 1192 O THR A 88 -4.468 -5.284 -3.753 1.00 0.00 O ATOM 1193 CB THR A 88 -6.810 -3.879 -1.795 1.00 0.00 C ATOM 1194 OG1 THR A 88 -8.078 -3.718 -2.446 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.802 -3.077 -0.523 1.00 0.00 C ATOM 0 H THR A 88 -6.811 -1.670 -3.066 1.00 0.00 H new ATOM 0 HA THR A 88 -4.758 -3.365 -2.128 1.00 0.00 H new ATOM 0 HB THR A 88 -6.656 -4.932 -1.560 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.938 -3.382 -3.356 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.613 -3.412 0.124 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.849 -3.215 -0.012 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.938 -2.021 -0.758 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.176 -4.347 -4.858 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.114 -5.291 -5.964 1.00 0.00 C ATOM 1205 C ARG A 89 -4.941 -4.971 -6.876 1.00 0.00 C ATOM 1206 O ARG A 89 -4.267 -5.879 -7.356 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.428 -5.309 -6.747 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.525 -6.399 -7.800 1.00 0.00 C ATOM 1209 CD ARG A 89 -8.849 -6.325 -8.530 1.00 0.00 C ATOM 1210 NE ARG A 89 -9.041 -7.448 -9.454 1.00 0.00 N ATOM 1211 CZ ARG A 89 -9.863 -7.446 -10.507 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -10.372 -6.302 -10.958 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -10.089 -8.583 -11.160 1.00 0.00 N ATOM 0 H ARG A 89 -6.872 -3.611 -4.974 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.961 -6.288 -5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.252 -5.428 -6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.559 -4.342 -7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.706 -6.297 -8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.418 -7.376 -7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.661 -6.313 -7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.903 -5.388 -9.085 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.504 -8.298 -9.279 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.135 -5.422 -10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.999 -6.305 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -9.636 -9.445 -10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.715 -8.593 -11.965 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.693 -3.687 -7.125 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.529 -3.299 -7.920 1.00 0.00 C ATOM 1229 C ALA A 90 -2.272 -3.642 -7.174 1.00 0.00 C ATOM 1230 O ALA A 90 -1.301 -4.009 -7.803 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.537 -1.831 -8.323 1.00 0.00 C ATOM 0 H ALA A 90 -5.268 -2.912 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.572 -3.864 -8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.646 -1.610 -8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.425 -1.622 -8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.545 -1.208 -7.429 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.294 -3.532 -5.810 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.175 -4.023 -5.000 1.00 0.00 C ATOM 1239 C LEU A 91 -0.950 -5.446 -5.325 1.00 0.00 C ATOM 1240 O LEU A 91 0.095 -5.806 -5.785 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.375 -3.900 -3.454 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.682 -2.707 -2.742 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -0.996 -1.369 -3.386 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.055 -2.688 -1.269 1.00 0.00 C ATOM 0 H LEU A 91 -3.059 -3.117 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.324 -3.389 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.445 -3.837 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.019 -4.821 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 91 0.393 -2.857 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.483 -0.575 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.660 -1.376 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.071 -1.194 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.563 -1.847 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.135 -2.585 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.734 -3.618 -0.800 1.00 0.00 H new ATOM 1256 N GLU A 92 -1.971 -6.242 -5.163 1.00 0.00 N ATOM 1257 CA GLU A 92 -1.850 -7.679 -5.389 1.00 0.00 C ATOM 1258 C GLU A 92 -1.348 -7.983 -6.794 1.00 0.00 C ATOM 1259 O GLU A 92 -0.472 -8.833 -6.972 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.160 -8.382 -5.086 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.092 -9.888 -5.192 1.00 0.00 C ATOM 1262 CD GLU A 92 -4.388 -10.550 -4.844 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -5.462 -10.041 -5.227 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -4.364 -11.616 -4.211 1.00 0.00 O ATOM 0 H GLU A 92 -2.900 -5.933 -4.876 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.102 -8.069 -4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.479 -8.114 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.924 -8.015 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.809 -10.164 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.310 -10.260 -4.530 1.00 0.00 H new ATOM 1271 N ASN A 93 -1.879 -7.286 -7.751 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.422 -7.367 -9.118 1.00 0.00 C ATOM 1273 C ASN A 93 0.082 -7.117 -9.180 1.00 0.00 C ATOM 1274 O ASN A 93 0.889 -8.071 -9.431 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.195 -6.351 -9.974 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.404 -6.948 -10.657 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.316 -7.433 -11.783 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.527 -6.934 -9.994 1.00 0.00 N ATOM 0 H ASN A 93 -2.652 -6.635 -7.611 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.610 -8.365 -9.514 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.514 -5.522 -9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.526 -5.938 -10.729 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.369 -7.334 -10.408 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.563 -6.523 -9.061 1.00 0.00 H new ATOM 1285 N VAL A 94 0.477 -5.890 -8.819 1.00 0.00 N ATOM 1286 CA VAL A 94 1.861 -5.490 -8.864 1.00 0.00 C ATOM 1287 C VAL A 94 2.770 -6.348 -8.087 1.00 0.00 C ATOM 1288 O VAL A 94 3.798 -6.779 -8.598 1.00 0.00 O ATOM 1289 CB VAL A 94 2.167 -4.018 -8.523 1.00 0.00 C ATOM 1290 CG1 VAL A 94 1.710 -3.078 -9.614 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.632 -3.566 -7.174 1.00 0.00 C ATOM 0 H VAL A 94 -0.159 -5.163 -8.492 1.00 0.00 H new ATOM 0 HA VAL A 94 2.058 -5.619 -9.928 1.00 0.00 H new ATOM 0 HB VAL A 94 3.254 -3.973 -8.452 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.945 -2.052 -9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.221 -3.325 -10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.634 -3.178 -9.753 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.890 -2.519 -7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.548 -3.679 -7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.073 -4.175 -6.385 1.00 0.00 H new ATOM 1301 N LEU A 95 2.407 -6.672 -6.923 1.00 0.00 N ATOM 1302 CA LEU A 95 3.375 -7.272 -6.096 1.00 0.00 C ATOM 1303 C LEU A 95 3.413 -8.732 -6.100 1.00 0.00 C ATOM 1304 O LEU A 95 4.466 -9.302 -5.854 1.00 0.00 O ATOM 1305 CB LEU A 95 3.389 -6.671 -4.726 1.00 0.00 C ATOM 1306 CG LEU A 95 2.071 -6.647 -4.001 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.694 -7.971 -3.356 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.998 -5.484 -3.066 1.00 0.00 C ATOM 0 H LEU A 95 1.479 -6.542 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 95 4.324 -7.022 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.106 -7.222 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.757 -5.648 -4.804 1.00 0.00 H new ATOM 0 HG LEU A 95 1.300 -6.503 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.732 -7.870 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.624 -8.742 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.455 -8.251 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.036 -5.489 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.800 -5.557 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.105 -4.557 -3.629 1.00 0.00 H new ATOM 1320 N SER A 96 2.328 -9.353 -6.333 1.00 0.00 N ATOM 1321 CA SER A 96 2.391 -10.743 -6.379 1.00 0.00 C ATOM 1322 C SER A 96 2.969 -11.181 -7.727 1.00 0.00 C ATOM 1323 O SER A 96 3.548 -12.259 -7.822 1.00 0.00 O ATOM 1324 CB SER A 96 1.052 -11.406 -6.046 1.00 0.00 C ATOM 1325 OG SER A 96 0.617 -11.039 -4.727 1.00 0.00 O ATOM 0 H SER A 96 1.412 -8.932 -6.490 1.00 0.00 H new ATOM 0 HA SER A 96 3.065 -11.090 -5.596 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.301 -11.108 -6.778 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.150 -12.489 -6.113 1.00 0.00 H new ATOM 0 HG SER A 96 -0.241 -11.471 -4.533 1.00 0.00 H new ATOM 1331 N GLY A 97 2.844 -10.337 -8.785 1.00 0.00 N ATOM 1332 CA GLY A 97 3.512 -10.744 -9.990 1.00 0.00 C ATOM 1333 C GLY A 97 3.614 -9.716 -11.085 1.00 0.00 C ATOM 1334 O GLY A 97 3.824 -10.096 -12.243 1.00 0.00 O ATOM 0 H GLY A 97 2.331 -9.456 -8.810 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.521 -11.064 -9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 97 2.994 -11.616 -10.389 1.00 0.00 H new ATOM 1338 N LYS A 98 3.499 -8.428 -10.793 1.00 0.00 N ATOM 1339 CA LYS A 98 3.555 -7.467 -11.933 1.00 0.00 C ATOM 1340 C LYS A 98 4.926 -6.880 -12.022 1.00 0.00 C ATOM 1341 O LYS A 98 5.480 -6.678 -13.109 1.00 0.00 O ATOM 1342 CB LYS A 98 2.510 -6.374 -11.788 1.00 0.00 C ATOM 1343 CG LYS A 98 1.978 -5.719 -13.080 1.00 0.00 C ATOM 1344 CD LYS A 98 3.011 -4.888 -13.827 1.00 0.00 C ATOM 1345 CE LYS A 98 2.373 -4.151 -14.995 1.00 0.00 C ATOM 1346 NZ LYS A 98 3.346 -3.328 -15.733 1.00 0.00 N ATOM 0 H LYS A 98 3.376 -8.028 -9.863 1.00 0.00 H new ATOM 0 HA LYS A 98 3.334 -8.006 -12.854 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.660 -6.791 -11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.931 -5.588 -11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.607 -6.500 -13.744 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.129 -5.083 -12.829 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.469 -4.171 -13.145 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.809 -5.535 -14.192 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.921 -4.873 -15.675 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.569 -3.515 -14.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.866 -2.845 -16.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.759 -2.621 -15.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.101 -3.937 -16.109 1.00 0.00 H new ATOM 1360 N ALA A 99 5.414 -6.621 -10.860 1.00 0.00 N ATOM 1361 CA ALA A 99 6.694 -5.994 -10.565 1.00 0.00 C ATOM 1362 C ALA A 99 7.816 -6.435 -11.489 1.00 0.00 C ATOM 1363 O ALA A 99 8.366 -7.545 -11.313 1.00 0.00 O ATOM 1364 CB ALA A 99 7.051 -6.242 -9.120 1.00 0.00 C ATOM 1365 OXT ALA A 99 8.169 -5.658 -12.388 1.00 0.00 O ATOM 0 H ALA A 99 4.901 -6.854 -10.009 1.00 0.00 H new ATOM 0 HA ALA A 99 6.578 -4.925 -10.742 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.009 -5.773 -8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.280 -5.817 -8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.121 -7.315 -8.942 1.00 0.00 H new