USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1069 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 35 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.052) USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 23 MET CE :methyl 163:sc= -0.0746 (180deg=-0.581) USER MOD Set 2.2: A 53 MET CE :methyl -154:sc= -0.266 (180deg=-0.991) USER MOD Single : A 1 SER N :NH3+ -102:sc= 0.171 (180deg=0.00779) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0424 USER MOD Single : A 2 GLN : amide:sc= -0.0361 K(o=-0.036,f=-0.96) USER MOD Single : A 5 MET CE :methyl -135:sc= -0.268 (180deg=-2.05!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.355 K(o=-0.35,f=-2.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 1.36 (180deg=1.22) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -90:sc= -3.12! USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.154 (180deg=-0.601) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.62! C(o=-2.6!,f=-2.5!) USER MOD Single : A 48 THR OG1 : rot 150:sc= 0.0507 USER MOD Single : A 56 SER OG : rot -95:sc= 1.28 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= -0.0414 (180deg=-0.117) USER MOD Single : A 60 ASN : amide:sc= 0.374 K(o=0.37,f=-3!) USER MOD Single : A 61 MET CE :methyl -179:sc= -0.172 (180deg=-0.173) USER MOD Single : A 67 ASN : amide:sc= -0.0721 X(o=-0.072,f=-0.3) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HE2:sc= 1.15 K(o=1.1,f=-3.7!) USER MOD Single : A 72 ASN : amide:sc=-0.00232 K(o=-0.0023,f=-1.3) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= 0.0206 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0887 K(o=-0.089,f=-0.64) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.035 X(o=-0.035,f=-0.015) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 95 HIS : no HE2:sc= -0.195 K(o=-0.19,f=-1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -176:sc= 0.0784 USER MOD Single : A 101 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 104 ASN : amide:sc= 0.49 K(o=0.49,f=-6.2!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 73:sc= 1.3 USER MOD Single : A 116 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.12) USER MOD Single : A 124 LYS NZ :NH3+ -177:sc= 0.341 (180deg=0.327) USER MOD Single : A 126 ASN : amide:sc= -0.539 K(o=-0.54,f=-2.6!) USER MOD Single : A 130 SER OG : rot -170:sc= 0.0152 USER MOD Single : A 131 MET CE :methyl 155:sc= -0.0303 (180deg=-0.353) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.305 26.725 9.059 1.00 0.00 N ATOM 2 CA SER A 1 -0.494 25.560 9.429 1.00 0.00 C ATOM 3 C SER A 1 -1.131 24.281 8.890 1.00 0.00 C ATOM 4 O SER A 1 -2.258 24.320 8.383 1.00 0.00 O ATOM 5 CB SER A 1 -0.312 25.525 10.948 1.00 0.00 C ATOM 6 OG SER A 1 0.147 26.790 11.380 1.00 0.00 O ATOM 0 H1 SER A 1 -0.863 27.215 8.255 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.260 26.412 8.791 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.368 27.375 9.868 1.00 0.00 H new ATOM 0 HA SER A 1 0.496 25.637 8.978 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.255 25.279 11.436 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.402 24.749 11.225 1.00 0.00 H new ATOM 0 HG SER A 1 0.266 26.780 12.353 1.00 0.00 H new ATOM 12 N GLN A 2 -0.420 23.156 8.969 1.00 0.00 N ATOM 13 CA GLN A 2 -0.932 21.816 8.726 1.00 0.00 C ATOM 14 C GLN A 2 -0.806 21.020 10.028 1.00 0.00 C ATOM 15 O GLN A 2 -0.001 21.387 10.888 1.00 0.00 O ATOM 16 CB GLN A 2 -0.137 21.147 7.585 1.00 0.00 C ATOM 17 CG GLN A 2 -0.231 21.847 6.214 1.00 0.00 C ATOM 18 CD GLN A 2 -1.630 21.836 5.591 1.00 0.00 C ATOM 19 OE1 GLN A 2 -2.569 21.200 6.069 1.00 0.00 O ATOM 20 NE2 GLN A 2 -1.830 22.564 4.507 1.00 0.00 N ATOM 0 H GLN A 2 0.570 23.159 9.215 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.978 21.852 8.420 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.912 21.097 7.877 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.487 20.121 7.475 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.096 22.881 6.325 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.463 21.365 5.526 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.060 23.096 4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.754 22.594 4.076 1.00 0.00 H new ATOM 29 N GLU A 3 -1.559 19.927 10.173 1.00 0.00 N ATOM 30 CA GLU A 3 -1.468 19.005 11.307 1.00 0.00 C ATOM 31 C GLU A 3 -1.416 17.549 10.823 1.00 0.00 C ATOM 32 O GLU A 3 -1.823 16.608 11.506 1.00 0.00 O ATOM 33 CB GLU A 3 -2.640 19.315 12.266 1.00 0.00 C ATOM 34 CG GLU A 3 -2.111 20.005 13.520 1.00 0.00 C ATOM 35 CD GLU A 3 -3.171 20.780 14.282 1.00 0.00 C ATOM 36 OE1 GLU A 3 -4.176 20.164 14.718 1.00 0.00 O ATOM 37 OE2 GLU A 3 -2.946 22.000 14.447 1.00 0.00 O ATOM 0 H GLU A 3 -2.265 19.653 9.490 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.540 19.145 11.861 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.370 19.954 11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.155 18.393 12.536 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.676 19.255 14.181 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.308 20.686 13.238 1.00 0.00 H new ATOM 44 N VAL A 4 -0.790 17.344 9.670 1.00 0.00 N ATOM 45 CA VAL A 4 -0.708 16.086 8.945 1.00 0.00 C ATOM 46 C VAL A 4 0.645 15.464 9.311 1.00 0.00 C ATOM 47 O VAL A 4 1.575 15.371 8.507 1.00 0.00 O ATOM 48 CB VAL A 4 -0.947 16.320 7.435 1.00 0.00 C ATOM 49 CG1 VAL A 4 -1.209 14.986 6.732 1.00 0.00 C ATOM 50 CG2 VAL A 4 -2.159 17.228 7.154 1.00 0.00 C ATOM 0 H VAL A 4 -0.298 18.097 9.190 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.488 15.377 9.223 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.046 16.806 7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.376 15.161 5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.347 14.331 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.091 14.514 7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.276 17.356 6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.059 16.771 7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.001 18.201 7.619 1.00 0.00 H new ATOM 60 N MET A 5 0.779 15.118 10.589 1.00 0.00 N ATOM 61 CA MET A 5 2.025 14.689 11.221 1.00 0.00 C ATOM 62 C MET A 5 1.849 13.564 12.247 1.00 0.00 C ATOM 63 O MET A 5 2.762 13.284 13.027 1.00 0.00 O ATOM 64 CB MET A 5 2.682 15.936 11.827 1.00 0.00 C ATOM 65 CG MET A 5 1.893 16.522 13.002 1.00 0.00 C ATOM 66 SD MET A 5 2.380 18.214 13.420 1.00 0.00 S ATOM 67 CE MET A 5 0.975 18.659 14.465 1.00 0.00 C ATOM 0 H MET A 5 -0.008 15.129 11.238 1.00 0.00 H new ATOM 0 HA MET A 5 2.671 14.243 10.464 1.00 0.00 H new ATOM 0 HB2 MET A 5 3.687 15.682 12.163 1.00 0.00 H new ATOM 0 HB3 MET A 5 2.787 16.696 11.053 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.830 16.507 12.760 1.00 0.00 H new ATOM 0 HG3 MET A 5 2.030 15.886 13.876 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.622 19.655 14.196 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.171 17.938 14.320 1.00 0.00 H new ATOM 0 HE3 MET A 5 1.283 18.653 15.511 1.00 0.00 H new ATOM 77 N LYS A 6 0.672 12.941 12.275 1.00 0.00 N ATOM 78 CA LYS A 6 0.320 11.839 13.168 1.00 0.00 C ATOM 79 C LYS A 6 0.969 10.528 12.711 1.00 0.00 C ATOM 80 O LYS A 6 1.908 10.521 11.903 1.00 0.00 O ATOM 81 CB LYS A 6 -1.219 11.766 13.287 1.00 0.00 C ATOM 82 CG LYS A 6 -1.762 12.973 14.076 1.00 0.00 C ATOM 83 CD LYS A 6 -2.874 12.572 15.053 1.00 0.00 C ATOM 84 CE LYS A 6 -3.022 13.653 16.126 1.00 0.00 C ATOM 85 NZ LYS A 6 -4.102 13.327 17.073 1.00 0.00 N ATOM 0 H LYS A 6 -0.092 13.201 11.652 1.00 0.00 H new ATOM 0 HA LYS A 6 0.718 12.017 14.167 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.665 11.745 12.293 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.507 10.840 13.785 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.947 13.441 14.628 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.144 13.719 13.379 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.815 12.444 14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.638 11.614 15.516 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.082 13.761 16.667 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.229 14.612 15.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.176 14.079 17.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.002 13.248 16.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.891 12.423 17.543 1.00 0.00 H new ATOM 99 N ASN A 7 0.485 9.395 13.235 1.00 0.00 N ATOM 100 CA ASN A 7 0.768 8.083 12.669 1.00 0.00 C ATOM 101 C ASN A 7 0.398 8.128 11.187 1.00 0.00 C ATOM 102 O ASN A 7 -0.443 8.940 10.799 1.00 0.00 O ATOM 103 CB ASN A 7 -0.043 6.967 13.349 1.00 0.00 C ATOM 104 CG ASN A 7 -1.322 6.581 12.609 1.00 0.00 C ATOM 105 OD1 ASN A 7 -1.347 5.573 11.908 1.00 0.00 O ATOM 106 ND2 ASN A 7 -2.357 7.389 12.701 1.00 0.00 N ATOM 0 H ASN A 7 -0.112 9.369 14.062 1.00 0.00 H new ATOM 0 HA ASN A 7 1.824 7.859 12.821 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.588 6.083 13.446 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -0.303 7.286 14.358 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.211 7.185 12.181 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.305 8.219 13.292 1.00 0.00 H new ATOM 113 N LEU A 8 0.958 7.196 10.418 1.00 0.00 N ATOM 114 CA LEU A 8 0.736 7.006 8.987 1.00 0.00 C ATOM 115 C LEU A 8 0.923 8.316 8.185 1.00 0.00 C ATOM 116 O LEU A 8 0.080 9.207 8.176 1.00 0.00 O ATOM 117 CB LEU A 8 -0.589 6.228 8.819 1.00 0.00 C ATOM 118 CG LEU A 8 -1.022 5.861 7.397 1.00 0.00 C ATOM 119 CD1 LEU A 8 -2.015 6.900 6.881 1.00 0.00 C ATOM 120 CD2 LEU A 8 0.155 5.608 6.451 1.00 0.00 C ATOM 0 H LEU A 8 1.615 6.515 10.799 1.00 0.00 H new ATOM 0 HA LEU A 8 1.503 6.385 8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.512 5.306 9.395 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.385 6.820 9.270 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.533 4.899 7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.323 6.638 5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.889 6.922 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.543 7.882 6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.222 5.353 5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.768 6.507 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.758 4.784 6.833 1.00 0.00 H new ATOM 132 N SER A 9 2.105 8.476 7.587 1.00 0.00 N ATOM 133 CA SER A 9 2.508 9.687 6.877 1.00 0.00 C ATOM 134 C SER A 9 1.670 9.856 5.607 1.00 0.00 C ATOM 135 O SER A 9 1.249 10.971 5.290 1.00 0.00 O ATOM 136 CB SER A 9 4.009 9.596 6.552 1.00 0.00 C ATOM 137 OG SER A 9 4.586 10.863 6.330 1.00 0.00 O ATOM 0 H SER A 9 2.822 7.751 7.584 1.00 0.00 H new ATOM 0 HA SER A 9 2.336 10.563 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.527 9.102 7.374 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.150 8.975 5.667 1.00 0.00 H new ATOM 0 HG SER A 9 5.539 10.758 6.129 1.00 0.00 H new ATOM 143 N LEU A 10 1.422 8.767 4.869 1.00 0.00 N ATOM 144 CA LEU A 10 0.533 8.798 3.708 1.00 0.00 C ATOM 145 C LEU A 10 -0.878 9.222 4.112 1.00 0.00 C ATOM 146 O LEU A 10 -1.226 9.166 5.282 1.00 0.00 O ATOM 147 CB LEU A 10 0.567 7.462 2.941 1.00 0.00 C ATOM 148 CG LEU A 10 1.935 7.083 2.325 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.792 5.951 1.299 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.632 8.260 1.623 1.00 0.00 C ATOM 0 H LEU A 10 1.828 7.851 5.059 1.00 0.00 H new ATOM 0 HA LEU A 10 0.897 9.555 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.260 6.666 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.173 7.503 2.142 1.00 0.00 H new ATOM 0 HG LEU A 10 2.545 6.766 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.771 5.709 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.376 5.069 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.128 6.270 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.585 7.926 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.999 8.628 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.806 9.061 2.342 1.00 0.00 H new ATOM 162 N ASN A 11 -1.732 9.628 3.167 1.00 0.00 N ATOM 163 CA ASN A 11 -3.090 10.078 3.506 1.00 0.00 C ATOM 164 C ASN A 11 -4.109 9.021 3.105 1.00 0.00 C ATOM 165 O ASN A 11 -4.950 9.244 2.227 1.00 0.00 O ATOM 166 CB ASN A 11 -3.402 11.457 2.912 1.00 0.00 C ATOM 167 CG ASN A 11 -4.515 12.150 3.694 1.00 0.00 C ATOM 168 OD1 ASN A 11 -5.285 11.524 4.429 1.00 0.00 O ATOM 169 ND2 ASN A 11 -4.620 13.459 3.539 1.00 0.00 N ATOM 0 H ASN A 11 -1.513 9.655 2.171 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.152 10.202 4.587 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.504 12.075 2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.699 11.349 1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.349 13.974 4.032 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.972 13.954 2.926 1.00 0.00 H new ATOM 176 N PHE A 12 -3.991 7.823 3.693 1.00 0.00 N ATOM 177 CA PHE A 12 -4.809 6.686 3.308 1.00 0.00 C ATOM 178 C PHE A 12 -6.273 7.066 3.446 1.00 0.00 C ATOM 179 O PHE A 12 -7.005 6.942 2.472 1.00 0.00 O ATOM 180 CB PHE A 12 -4.455 5.431 4.116 1.00 0.00 C ATOM 181 CG PHE A 12 -3.385 4.574 3.470 1.00 0.00 C ATOM 182 CD1 PHE A 12 -2.033 4.875 3.701 1.00 0.00 C ATOM 183 CD2 PHE A 12 -3.721 3.516 2.600 1.00 0.00 C ATOM 184 CE1 PHE A 12 -1.009 4.140 3.087 1.00 0.00 C ATOM 185 CE2 PHE A 12 -2.686 2.796 1.968 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.336 3.102 2.207 1.00 0.00 C ATOM 0 H PHE A 12 -3.328 7.625 4.443 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.608 6.433 2.267 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.118 5.731 5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.355 4.832 4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.777 5.688 4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.755 3.261 2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.025 4.373 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.936 1.995 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.556 2.540 1.715 1.00 0.00 H new ATOM 196 N GLY A 13 -6.678 7.590 4.606 1.00 0.00 N ATOM 197 CA GLY A 13 -8.054 7.993 4.886 1.00 0.00 C ATOM 198 C GLY A 13 -8.716 8.748 3.737 1.00 0.00 C ATOM 199 O GLY A 13 -9.804 8.385 3.303 1.00 0.00 O ATOM 0 H GLY A 13 -6.045 7.748 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.644 7.106 5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.066 8.621 5.777 1.00 0.00 H new ATOM 203 N LYS A 14 -8.056 9.772 3.195 1.00 0.00 N ATOM 204 CA LYS A 14 -8.616 10.575 2.112 1.00 0.00 C ATOM 205 C LYS A 14 -8.812 9.801 0.816 1.00 0.00 C ATOM 206 O LYS A 14 -9.844 9.985 0.173 1.00 0.00 O ATOM 207 CB LYS A 14 -7.686 11.771 1.870 1.00 0.00 C ATOM 208 CG LYS A 14 -8.193 13.056 2.542 1.00 0.00 C ATOM 209 CD LYS A 14 -8.796 14.011 1.507 1.00 0.00 C ATOM 210 CE LYS A 14 -7.648 14.708 0.757 1.00 0.00 C ATOM 211 NZ LYS A 14 -8.131 15.703 -0.218 1.00 0.00 N ATOM 0 H LYS A 14 -7.125 10.065 3.493 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.610 10.897 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.691 11.536 2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.588 11.940 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.942 12.807 3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.371 13.548 3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.427 13.462 0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.431 14.749 1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.993 15.198 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.049 13.959 0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.319 16.143 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.735 15.234 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.681 16.435 0.276 1.00 0.00 H new ATOM 225 N ALA A 15 -7.823 9.018 0.377 1.00 0.00 N ATOM 226 CA ALA A 15 -7.916 8.208 -0.828 1.00 0.00 C ATOM 227 C ALA A 15 -8.956 7.117 -0.608 1.00 0.00 C ATOM 228 O ALA A 15 -9.792 6.900 -1.475 1.00 0.00 O ATOM 229 CB ALA A 15 -6.542 7.632 -1.131 1.00 0.00 C ATOM 0 H ALA A 15 -6.928 8.932 0.858 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.231 8.804 -1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.594 7.021 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.832 8.445 -1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.213 7.016 -0.294 1.00 0.00 H new ATOM 235 N LEU A 16 -8.944 6.465 0.558 1.00 0.00 N ATOM 236 CA LEU A 16 -9.935 5.488 0.983 1.00 0.00 C ATOM 237 C LEU A 16 -11.326 6.090 0.868 1.00 0.00 C ATOM 238 O LEU A 16 -12.194 5.426 0.312 1.00 0.00 O ATOM 239 CB LEU A 16 -9.678 5.018 2.428 1.00 0.00 C ATOM 240 CG LEU A 16 -8.436 4.127 2.597 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.075 3.957 4.070 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.653 2.717 2.072 1.00 0.00 C ATOM 0 H LEU A 16 -8.213 6.613 1.254 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.858 4.617 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.571 5.894 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.553 4.471 2.780 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.650 4.633 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.193 3.322 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.865 4.933 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.909 3.494 4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.745 2.131 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.476 2.250 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.894 2.757 1.010 1.00 0.00 H new ATOM 254 N ASP A 17 -11.533 7.330 1.321 1.00 0.00 N ATOM 255 CA ASP A 17 -12.845 7.972 1.299 1.00 0.00 C ATOM 256 C ASP A 17 -13.374 8.216 -0.113 1.00 0.00 C ATOM 257 O ASP A 17 -14.573 8.409 -0.288 1.00 0.00 O ATOM 258 CB ASP A 17 -12.873 9.308 2.048 1.00 0.00 C ATOM 259 CG ASP A 17 -14.329 9.686 2.380 1.00 0.00 C ATOM 260 OD1 ASP A 17 -15.113 8.849 2.900 1.00 0.00 O ATOM 261 OD2 ASP A 17 -14.701 10.863 2.152 1.00 0.00 O ATOM 0 H ASP A 17 -10.794 7.914 1.713 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.490 7.256 1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.288 9.234 2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.415 10.087 1.439 1.00 0.00 H new ATOM 266 N GLU A 18 -12.511 8.208 -1.131 1.00 0.00 N ATOM 267 CA GLU A 18 -12.926 8.302 -2.524 1.00 0.00 C ATOM 268 C GLU A 18 -13.089 6.888 -3.085 1.00 0.00 C ATOM 269 O GLU A 18 -14.136 6.567 -3.642 1.00 0.00 O ATOM 270 CB GLU A 18 -11.952 9.180 -3.329 1.00 0.00 C ATOM 271 CG GLU A 18 -11.853 10.593 -2.735 1.00 0.00 C ATOM 272 CD GLU A 18 -11.326 11.677 -3.675 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.905 11.380 -4.818 1.00 0.00 O ATOM 274 OE2 GLU A 18 -11.332 12.868 -3.281 1.00 0.00 O ATOM 0 H GLU A 18 -11.501 8.136 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.892 8.800 -2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.965 8.717 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.286 9.241 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.842 10.890 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.206 10.553 -1.859 1.00 0.00 H new ATOM 281 N CYS A 19 -12.124 6.000 -2.840 1.00 0.00 N ATOM 282 CA CYS A 19 -12.123 4.610 -3.264 1.00 0.00 C ATOM 283 C CYS A 19 -13.368 3.854 -2.793 1.00 0.00 C ATOM 284 O CYS A 19 -13.975 3.093 -3.549 1.00 0.00 O ATOM 285 CB CYS A 19 -10.854 3.970 -2.700 1.00 0.00 C ATOM 286 SG CYS A 19 -9.331 4.516 -3.511 1.00 0.00 S ATOM 0 H CYS A 19 -11.285 6.248 -2.315 1.00 0.00 H new ATOM 0 HA CYS A 19 -12.141 4.560 -4.353 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.788 4.196 -1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.934 2.887 -2.792 1.00 0.00 H new ATOM 291 N LYS A 20 -13.776 4.067 -1.542 1.00 0.00 N ATOM 292 CA LYS A 20 -14.997 3.504 -0.979 1.00 0.00 C ATOM 293 C LYS A 20 -16.236 3.970 -1.720 1.00 0.00 C ATOM 294 O LYS A 20 -17.245 3.280 -1.642 1.00 0.00 O ATOM 295 CB LYS A 20 -15.116 3.845 0.516 1.00 0.00 C ATOM 296 CG LYS A 20 -15.218 5.355 0.789 1.00 0.00 C ATOM 297 CD LYS A 20 -16.622 5.899 1.077 1.00 0.00 C ATOM 298 CE LYS A 20 -17.074 5.584 2.514 1.00 0.00 C ATOM 299 NZ LYS A 20 -16.228 6.235 3.545 1.00 0.00 N ATOM 0 H LYS A 20 -13.256 4.646 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.930 2.422 -1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.995 3.348 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.250 3.445 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.578 5.593 1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.815 5.887 -0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.633 6.978 0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.331 5.468 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.107 5.907 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.056 4.505 2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.707 6.188 4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.313 5.744 3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.070 7.230 3.287 1.00 0.00 H new ATOM 313 N LYS A 21 -16.218 5.113 -2.408 1.00 0.00 N ATOM 314 CA LYS A 21 -17.342 5.549 -3.215 1.00 0.00 C ATOM 315 C LYS A 21 -17.213 4.937 -4.605 1.00 0.00 C ATOM 316 O LYS A 21 -18.180 4.385 -5.119 1.00 0.00 O ATOM 317 CB LYS A 21 -17.421 7.074 -3.309 1.00 0.00 C ATOM 318 CG LYS A 21 -17.442 7.725 -1.927 1.00 0.00 C ATOM 319 CD LYS A 21 -17.520 9.240 -2.046 1.00 0.00 C ATOM 320 CE LYS A 21 -17.346 9.885 -0.675 1.00 0.00 C ATOM 321 NZ LYS A 21 -18.562 9.848 0.161 1.00 0.00 N ATOM 0 H LYS A 21 -15.425 5.754 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 21 -18.263 5.213 -2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.568 7.448 -3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -18.318 7.359 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.296 7.356 -1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.546 7.445 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.747 9.599 -2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.480 9.530 -2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.538 9.380 -0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.040 10.923 -0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.368 10.304 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.331 10.355 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.844 8.860 0.319 1.00 0.00 H new ATOM 335 N GLU A 22 -16.009 4.985 -5.188 1.00 0.00 N ATOM 336 CA GLU A 22 -15.698 4.502 -6.532 1.00 0.00 C ATOM 337 C GLU A 22 -16.165 3.057 -6.704 1.00 0.00 C ATOM 338 O GLU A 22 -16.892 2.762 -7.653 1.00 0.00 O ATOM 339 CB GLU A 22 -14.186 4.613 -6.811 1.00 0.00 C ATOM 340 CG GLU A 22 -13.729 6.058 -7.046 1.00 0.00 C ATOM 341 CD GLU A 22 -12.203 6.193 -7.073 1.00 0.00 C ATOM 342 OE1 GLU A 22 -11.575 6.007 -8.143 1.00 0.00 O ATOM 343 OE2 GLU A 22 -11.610 6.563 -6.042 1.00 0.00 O ATOM 0 H GLU A 22 -15.195 5.377 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.229 5.126 -7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.634 4.195 -5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.937 4.012 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.139 6.416 -7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.133 6.696 -6.260 1.00 0.00 H new ATOM 350 N MET A 23 -15.789 2.175 -5.773 1.00 0.00 N ATOM 351 CA MET A 23 -16.114 0.752 -5.815 1.00 0.00 C ATOM 352 C MET A 23 -17.317 0.410 -4.926 1.00 0.00 C ATOM 353 O MET A 23 -17.738 -0.748 -4.877 1.00 0.00 O ATOM 354 CB MET A 23 -14.912 -0.107 -5.381 1.00 0.00 C ATOM 355 CG MET A 23 -13.511 0.516 -5.446 1.00 0.00 C ATOM 356 SD MET A 23 -12.178 -0.611 -5.925 1.00 0.00 S ATOM 357 CE MET A 23 -11.514 0.319 -7.337 1.00 0.00 C ATOM 0 H MET A 23 -15.240 2.438 -4.955 1.00 0.00 H new ATOM 0 HA MET A 23 -16.369 0.527 -6.850 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.086 -0.427 -4.354 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.905 -1.005 -5.998 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.534 1.345 -6.153 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.274 0.937 -4.469 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.517 -0.049 -7.578 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.168 0.188 -8.199 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.458 1.377 -7.082 1.00 0.00 H new ATOM 367 N THR A 24 -17.845 1.394 -4.191 1.00 0.00 N ATOM 368 CA THR A 24 -18.859 1.199 -3.164 1.00 0.00 C ATOM 369 C THR A 24 -18.420 0.105 -2.167 1.00 0.00 C ATOM 370 O THR A 24 -19.095 -0.905 -1.939 1.00 0.00 O ATOM 371 CB THR A 24 -20.213 1.071 -3.862 1.00 0.00 C ATOM 372 OG1 THR A 24 -20.454 2.267 -4.579 1.00 0.00 O ATOM 373 CG2 THR A 24 -21.363 0.905 -2.882 1.00 0.00 C ATOM 0 H THR A 24 -17.569 2.370 -4.301 1.00 0.00 H new ATOM 0 HA THR A 24 -18.982 2.051 -2.496 1.00 0.00 H new ATOM 0 HB THR A 24 -20.169 0.189 -4.502 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.318 2.206 -5.037 1.00 0.00 H new ATOM 0 HG21 THR A 24 -22.300 0.819 -3.432 1.00 0.00 H new ATOM 0 HG22 THR A 24 -21.207 0.005 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 24 -21.407 1.772 -2.223 1.00 0.00 H new ATOM 381 N LEU A 25 -17.247 0.335 -1.567 1.00 0.00 N ATOM 382 CA LEU A 25 -16.696 -0.458 -0.462 1.00 0.00 C ATOM 383 C LEU A 25 -17.354 0.011 0.839 1.00 0.00 C ATOM 384 O LEU A 25 -18.112 0.986 0.836 1.00 0.00 O ATOM 385 CB LEU A 25 -15.155 -0.354 -0.339 1.00 0.00 C ATOM 386 CG LEU A 25 -14.359 -0.455 -1.661 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.885 -0.110 -1.430 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.448 -1.876 -2.221 1.00 0.00 C ATOM 0 H LEU A 25 -16.636 1.102 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.913 -1.507 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.912 0.596 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.810 -1.142 0.330 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.791 0.252 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.341 -0.187 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.805 0.907 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.458 -0.805 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.884 -1.936 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.032 -2.578 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.491 -2.127 -2.412 1.00 0.00 H new ATOM 400 N THR A 26 -17.058 -0.665 1.948 1.00 0.00 N ATOM 401 CA THR A 26 -17.678 -0.356 3.223 1.00 0.00 C ATOM 402 C THR A 26 -17.087 0.943 3.796 1.00 0.00 C ATOM 403 O THR A 26 -16.062 1.442 3.324 1.00 0.00 O ATOM 404 CB THR A 26 -17.576 -1.585 4.159 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.246 -1.937 4.450 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.243 -2.826 3.559 1.00 0.00 C ATOM 0 H THR A 26 -16.388 -1.433 1.983 1.00 0.00 H new ATOM 0 HA THR A 26 -18.743 -0.159 3.103 1.00 0.00 H new ATOM 0 HB THR A 26 -18.089 -1.277 5.070 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.924 -2.579 3.783 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.146 -3.662 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.299 -2.622 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.760 -3.079 2.615 1.00 0.00 H new ATOM 414 N ASP A 27 -17.698 1.492 4.849 1.00 0.00 N ATOM 415 CA ASP A 27 -17.037 2.475 5.709 1.00 0.00 C ATOM 416 C ASP A 27 -16.215 1.779 6.787 1.00 0.00 C ATOM 417 O ASP A 27 -15.291 2.372 7.336 1.00 0.00 O ATOM 418 CB ASP A 27 -18.044 3.415 6.362 1.00 0.00 C ATOM 419 CG ASP A 27 -17.394 4.715 6.868 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.521 5.283 6.173 1.00 0.00 O ATOM 421 OD2 ASP A 27 -17.897 5.288 7.865 1.00 0.00 O ATOM 0 H ASP A 27 -18.654 1.270 5.127 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.375 3.066 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.827 3.659 5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.525 2.904 7.196 1.00 0.00 H new ATOM 426 N ALA A 28 -16.525 0.512 7.082 1.00 0.00 N ATOM 427 CA ALA A 28 -15.773 -0.311 8.025 1.00 0.00 C ATOM 428 C ALA A 28 -14.283 -0.342 7.672 1.00 0.00 C ATOM 429 O ALA A 28 -13.451 -0.306 8.584 1.00 0.00 O ATOM 430 CB ALA A 28 -16.346 -1.730 8.083 1.00 0.00 C ATOM 0 H ALA A 28 -17.318 0.026 6.664 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.872 0.140 9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.771 -2.326 8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.387 -1.689 8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.289 -2.186 7.095 1.00 0.00 H new ATOM 436 N ILE A 29 -13.950 -0.363 6.371 1.00 0.00 N ATOM 437 CA ILE A 29 -12.581 -0.337 5.852 1.00 0.00 C ATOM 438 C ILE A 29 -11.748 0.819 6.409 1.00 0.00 C ATOM 439 O ILE A 29 -10.527 0.705 6.419 1.00 0.00 O ATOM 440 CB ILE A 29 -12.542 -0.412 4.310 1.00 0.00 C ATOM 441 CG1 ILE A 29 -12.948 0.906 3.623 1.00 0.00 C ATOM 442 CG2 ILE A 29 -13.361 -1.583 3.732 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.824 1.936 3.614 1.00 0.00 C ATOM 0 H ILE A 29 -14.652 -0.400 5.632 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.101 -1.244 6.220 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.492 -0.597 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.252 0.697 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.815 1.325 4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.289 -1.575 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.969 -2.525 4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.405 -1.478 4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.167 2.844 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.536 2.169 4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.965 1.532 3.079 1.00 0.00 H new ATOM 455 N ASN A 30 -12.379 1.897 6.886 1.00 0.00 N ATOM 456 CA ASN A 30 -11.711 3.078 7.418 1.00 0.00 C ATOM 457 C ASN A 30 -10.660 2.693 8.457 1.00 0.00 C ATOM 458 O ASN A 30 -9.564 3.253 8.454 1.00 0.00 O ATOM 459 CB ASN A 30 -12.779 3.963 8.081 1.00 0.00 C ATOM 460 CG ASN A 30 -12.224 5.108 8.917 1.00 0.00 C ATOM 461 OD1 ASN A 30 -12.141 5.004 10.137 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.889 6.229 8.307 1.00 0.00 N ATOM 0 H ASN A 30 -13.396 1.969 6.911 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.207 3.606 6.608 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.423 4.376 7.304 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.407 3.338 8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.555 7.025 8.850 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.964 6.299 7.292 1.00 0.00 H new ATOM 469 N GLU A 31 -10.987 1.709 9.295 1.00 0.00 N ATOM 470 CA GLU A 31 -10.061 1.068 10.216 1.00 0.00 C ATOM 471 C GLU A 31 -9.760 -0.377 9.824 1.00 0.00 C ATOM 472 O GLU A 31 -8.672 -0.854 10.133 1.00 0.00 O ATOM 473 CB GLU A 31 -10.628 1.123 11.632 1.00 0.00 C ATOM 474 CG GLU A 31 -10.148 2.362 12.398 1.00 0.00 C ATOM 475 CD GLU A 31 -8.646 2.315 12.724 1.00 0.00 C ATOM 476 OE1 GLU A 31 -8.215 1.320 13.355 1.00 0.00 O ATOM 477 OE2 GLU A 31 -7.916 3.266 12.359 1.00 0.00 O ATOM 0 H GLU A 31 -11.932 1.328 9.350 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.119 1.614 10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.717 1.125 11.586 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.334 0.225 12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.359 3.253 11.807 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.714 2.452 13.325 1.00 0.00 H new ATOM 484 N ASP A 32 -10.664 -1.082 9.134 1.00 0.00 N ATOM 485 CA ASP A 32 -10.440 -2.494 8.789 1.00 0.00 C ATOM 486 C ASP A 32 -9.193 -2.636 7.914 1.00 0.00 C ATOM 487 O ASP A 32 -8.455 -3.610 8.018 1.00 0.00 O ATOM 488 CB ASP A 32 -11.653 -3.089 8.056 1.00 0.00 C ATOM 489 CG ASP A 32 -12.004 -4.494 8.516 1.00 0.00 C ATOM 490 OD1 ASP A 32 -12.575 -4.595 9.630 1.00 0.00 O ATOM 491 OD2 ASP A 32 -11.873 -5.445 7.711 1.00 0.00 O ATOM 0 H ASP A 32 -11.552 -0.703 8.805 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.296 -3.043 9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.515 -2.439 8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.450 -3.105 6.985 1.00 0.00 H new ATOM 496 N PHE A 33 -8.940 -1.640 7.062 1.00 0.00 N ATOM 497 CA PHE A 33 -7.740 -1.541 6.253 1.00 0.00 C ATOM 498 C PHE A 33 -6.505 -1.414 7.147 1.00 0.00 C ATOM 499 O PHE A 33 -5.541 -2.156 6.953 1.00 0.00 O ATOM 500 CB PHE A 33 -7.884 -0.343 5.298 1.00 0.00 C ATOM 501 CG PHE A 33 -6.778 -0.203 4.275 1.00 0.00 C ATOM 502 CD1 PHE A 33 -5.470 0.120 4.680 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.057 -0.387 2.908 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.446 0.174 3.728 1.00 0.00 C ATOM 505 CE2 PHE A 33 -6.037 -0.229 1.951 1.00 0.00 C ATOM 506 CZ PHE A 33 -4.729 0.041 2.379 1.00 0.00 C ATOM 0 H PHE A 33 -9.586 -0.864 6.918 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.611 -2.445 5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.835 -0.429 4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.928 0.571 5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.258 0.325 5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.056 -0.650 2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.425 0.321 4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.259 -0.315 0.898 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.937 0.146 1.652 1.00 0.00 H new ATOM 516 N TYR A 34 -6.518 -0.455 8.077 1.00 0.00 N ATOM 517 CA TYR A 34 -5.382 -0.128 8.934 1.00 0.00 C ATOM 518 C TYR A 34 -5.081 -1.338 9.839 1.00 0.00 C ATOM 519 O TYR A 34 -3.920 -1.681 10.062 1.00 0.00 O ATOM 520 CB TYR A 34 -5.700 1.110 9.802 1.00 0.00 C ATOM 521 CG TYR A 34 -5.655 2.474 9.115 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.415 2.729 7.956 1.00 0.00 C ATOM 523 CD2 TYR A 34 -4.872 3.520 9.653 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.370 3.984 7.328 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.837 4.785 9.039 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.598 5.027 7.875 1.00 0.00 C ATOM 527 OH TYR A 34 -5.607 6.264 7.305 1.00 0.00 O ATOM 0 H TYR A 34 -7.337 0.126 8.256 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.514 0.101 8.315 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.695 0.978 10.227 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.998 1.128 10.635 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.040 1.949 7.546 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.293 3.346 10.548 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.931 4.150 6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.227 5.572 9.458 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.223 6.915 7.929 1.00 0.00 H new ATOM 537 N ASN A 35 -6.119 -2.034 10.325 1.00 0.00 N ATOM 538 CA ASN A 35 -6.023 -3.209 11.156 1.00 0.00 C ATOM 539 C ASN A 35 -5.239 -4.323 10.468 1.00 0.00 C ATOM 540 O ASN A 35 -4.562 -5.073 11.161 1.00 0.00 O ATOM 541 CB ASN A 35 -7.418 -3.765 11.455 1.00 0.00 C ATOM 542 CG ASN A 35 -8.327 -3.014 12.415 1.00 0.00 C ATOM 543 OD1 ASN A 35 -9.546 -3.164 12.351 1.00 0.00 O ATOM 544 ND2 ASN A 35 -7.807 -2.224 13.333 1.00 0.00 N ATOM 0 H ASN A 35 -7.085 -1.769 10.132 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.513 -2.903 12.070 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.946 -3.854 10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.292 -4.775 11.845 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.416 -1.737 13.991 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.796 -2.100 13.386 1.00 0.00 H new ATOM 551 N PHE A 36 -5.308 -4.467 9.137 1.00 0.00 N ATOM 552 CA PHE A 36 -4.593 -5.545 8.454 1.00 0.00 C ATOM 553 C PHE A 36 -3.082 -5.455 8.712 1.00 0.00 C ATOM 554 O PHE A 36 -2.410 -6.486 8.742 1.00 0.00 O ATOM 555 CB PHE A 36 -4.837 -5.485 6.938 1.00 0.00 C ATOM 556 CG PHE A 36 -4.110 -6.542 6.108 1.00 0.00 C ATOM 557 CD1 PHE A 36 -4.097 -7.900 6.492 1.00 0.00 C ATOM 558 CD2 PHE A 36 -3.399 -6.157 4.954 1.00 0.00 C ATOM 559 CE1 PHE A 36 -3.407 -8.854 5.724 1.00 0.00 C ATOM 560 CE2 PHE A 36 -2.708 -7.111 4.186 1.00 0.00 C ATOM 561 CZ PHE A 36 -2.715 -8.462 4.566 1.00 0.00 C ATOM 0 H PHE A 36 -5.846 -3.857 8.522 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.973 -6.487 8.851 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.908 -5.580 6.757 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.539 -4.500 6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.622 -8.209 7.384 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.385 -5.119 4.656 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.409 -9.891 6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.170 -6.803 3.301 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.191 -9.196 3.972 1.00 0.00 H new ATOM 571 N TRP A 37 -2.549 -4.239 8.898 1.00 0.00 N ATOM 572 CA TRP A 37 -1.126 -4.026 9.118 1.00 0.00 C ATOM 573 C TRP A 37 -0.667 -4.632 10.446 1.00 0.00 C ATOM 574 O TRP A 37 0.488 -5.043 10.566 1.00 0.00 O ATOM 575 CB TRP A 37 -0.797 -2.529 9.100 1.00 0.00 C ATOM 576 CG TRP A 37 -1.329 -1.714 7.960 1.00 0.00 C ATOM 577 CD1 TRP A 37 -1.521 -2.135 6.690 1.00 0.00 C ATOM 578 CD2 TRP A 37 -1.746 -0.319 7.985 1.00 0.00 C ATOM 579 NE1 TRP A 37 -2.034 -1.103 5.933 1.00 0.00 N ATOM 580 CE2 TRP A 37 -2.215 0.040 6.688 1.00 0.00 C ATOM 581 CE3 TRP A 37 -1.792 0.672 8.988 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -2.738 1.316 6.418 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -2.272 1.965 8.714 1.00 0.00 C ATOM 584 CH2 TRP A 37 -2.758 2.283 7.434 1.00 0.00 C ATOM 0 H TRP A 37 -3.099 -3.380 8.899 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.594 -4.525 8.308 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.169 -2.092 10.027 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.288 -2.424 9.111 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.306 -3.128 6.324 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.253 -1.174 4.939 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.452 0.433 9.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.122 1.550 5.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.267 2.716 9.490 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.146 3.271 7.233 1.00 0.00 H new ATOM 595 N LYS A 38 -1.553 -4.655 11.440 1.00 0.00 N ATOM 596 CA LYS A 38 -1.292 -5.120 12.792 1.00 0.00 C ATOM 597 C LYS A 38 -1.214 -6.638 12.829 1.00 0.00 C ATOM 598 O LYS A 38 -1.509 -7.317 11.845 1.00 0.00 O ATOM 599 CB LYS A 38 -2.422 -4.602 13.682 1.00 0.00 C ATOM 600 CG LYS A 38 -2.363 -3.080 13.777 1.00 0.00 C ATOM 601 CD LYS A 38 -3.625 -2.540 14.446 1.00 0.00 C ATOM 602 CE LYS A 38 -3.456 -1.116 14.972 1.00 0.00 C ATOM 603 NZ LYS A 38 -2.290 -0.947 15.867 1.00 0.00 N ATOM 0 H LYS A 38 -2.513 -4.335 11.315 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.333 -4.745 13.150 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.385 -4.911 13.276 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.340 -5.039 14.677 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.484 -2.778 14.347 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.260 -2.651 12.780 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.447 -2.563 13.731 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.902 -3.196 15.271 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.356 -0.435 14.127 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.360 -0.827 15.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.424 -0.100 16.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.198 -1.783 16.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.427 -0.839 15.296 1.00 0.00 H new ATOM 617 N GLU A 39 -0.825 -7.194 13.970 1.00 0.00 N ATOM 618 CA GLU A 39 -0.438 -8.593 14.048 1.00 0.00 C ATOM 619 C GLU A 39 -1.432 -9.361 14.894 1.00 0.00 C ATOM 620 O GLU A 39 -2.121 -8.810 15.761 1.00 0.00 O ATOM 621 CB GLU A 39 1.020 -8.693 14.510 1.00 0.00 C ATOM 622 CG GLU A 39 1.854 -8.109 13.364 1.00 0.00 C ATOM 623 CD GLU A 39 3.354 -8.236 13.556 1.00 0.00 C ATOM 624 OE1 GLU A 39 3.884 -9.368 13.524 1.00 0.00 O ATOM 625 OE2 GLU A 39 4.013 -7.175 13.656 1.00 0.00 O ATOM 0 H GLU A 39 -0.770 -6.693 14.857 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.473 -9.067 13.067 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.178 -8.136 15.434 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.298 -9.728 14.710 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.575 -8.608 12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.602 -7.055 13.247 1.00 0.00 H new ATOM 632 N GLY A 40 -1.582 -10.632 14.543 1.00 0.00 N ATOM 633 CA GLY A 40 -2.728 -11.425 14.945 1.00 0.00 C ATOM 634 C GLY A 40 -4.015 -10.984 14.246 1.00 0.00 C ATOM 635 O GLY A 40 -5.096 -11.332 14.722 1.00 0.00 O ATOM 0 H GLY A 40 -0.908 -11.140 13.970 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.537 -12.474 14.721 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.859 -11.348 16.024 1.00 0.00 H new ATOM 639 N TYR A 41 -3.954 -10.220 13.154 1.00 0.00 N ATOM 640 CA TYR A 41 -5.109 -9.736 12.411 1.00 0.00 C ATOM 641 C TYR A 41 -5.165 -10.462 11.066 1.00 0.00 C ATOM 642 O TYR A 41 -4.520 -10.066 10.095 1.00 0.00 O ATOM 643 CB TYR A 41 -5.022 -8.213 12.253 1.00 0.00 C ATOM 644 CG TYR A 41 -5.903 -7.390 13.175 1.00 0.00 C ATOM 645 CD1 TYR A 41 -7.291 -7.341 12.960 1.00 0.00 C ATOM 646 CD2 TYR A 41 -5.331 -6.583 14.171 1.00 0.00 C ATOM 647 CE1 TYR A 41 -8.102 -6.442 13.677 1.00 0.00 C ATOM 648 CE2 TYR A 41 -6.130 -5.686 14.898 1.00 0.00 C ATOM 649 CZ TYR A 41 -7.513 -5.595 14.646 1.00 0.00 C ATOM 650 OH TYR A 41 -8.238 -4.683 15.346 1.00 0.00 O ATOM 0 H TYR A 41 -3.068 -9.913 12.753 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.034 -9.947 12.948 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.986 -7.911 12.410 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.275 -7.961 11.223 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.741 -8.002 12.235 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.273 -6.652 14.379 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.165 -6.399 13.490 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.681 -5.061 15.656 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.649 -4.201 15.963 1.00 0.00 H new ATOM 660 N GLU A 42 -5.961 -11.525 10.981 1.00 0.00 N ATOM 661 CA GLU A 42 -6.409 -12.058 9.704 1.00 0.00 C ATOM 662 C GLU A 42 -7.480 -11.106 9.186 1.00 0.00 C ATOM 663 O GLU A 42 -8.675 -11.362 9.347 1.00 0.00 O ATOM 664 CB GLU A 42 -6.945 -13.499 9.842 1.00 0.00 C ATOM 665 CG GLU A 42 -5.867 -14.520 9.475 1.00 0.00 C ATOM 666 CD GLU A 42 -4.649 -14.492 10.381 1.00 0.00 C ATOM 667 OE1 GLU A 42 -4.793 -14.266 11.600 1.00 0.00 O ATOM 668 OE2 GLU A 42 -3.549 -14.802 9.877 1.00 0.00 O ATOM 0 H GLU A 42 -6.310 -12.036 11.792 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.578 -12.123 9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.280 -13.670 10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.813 -13.632 9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.304 -15.518 9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.547 -14.340 8.449 1.00 0.00 H new ATOM 675 N ILE A 43 -7.069 -9.986 8.595 1.00 0.00 N ATOM 676 CA ILE A 43 -7.940 -9.218 7.722 1.00 0.00 C ATOM 677 C ILE A 43 -7.757 -9.837 6.340 1.00 0.00 C ATOM 678 O ILE A 43 -6.851 -9.483 5.584 1.00 0.00 O ATOM 679 CB ILE A 43 -7.669 -7.720 7.810 1.00 0.00 C ATOM 680 CG1 ILE A 43 -7.851 -7.224 9.252 1.00 0.00 C ATOM 681 CG2 ILE A 43 -8.601 -6.925 6.889 1.00 0.00 C ATOM 682 CD1 ILE A 43 -9.139 -7.619 9.973 1.00 0.00 C ATOM 0 H ILE A 43 -6.135 -9.593 8.708 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.989 -9.274 8.011 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.639 -7.560 7.491 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.010 -7.587 9.842 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.789 -6.136 9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.380 -5.861 6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.450 -7.242 5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.637 -7.105 7.176 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.135 -7.202 10.980 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.997 -7.232 9.424 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.205 -8.705 10.030 1.00 0.00 H new ATOM 694 N LYS A 44 -8.586 -10.824 6.017 1.00 0.00 N ATOM 695 CA LYS A 44 -8.551 -11.601 4.781 1.00 0.00 C ATOM 696 C LYS A 44 -9.892 -11.433 4.057 1.00 0.00 C ATOM 697 O LYS A 44 -10.381 -12.359 3.415 1.00 0.00 O ATOM 698 CB LYS A 44 -8.180 -13.059 5.132 1.00 0.00 C ATOM 699 CG LYS A 44 -6.686 -13.206 5.487 1.00 0.00 C ATOM 700 CD LYS A 44 -5.847 -13.491 4.230 1.00 0.00 C ATOM 701 CE LYS A 44 -4.335 -13.239 4.354 1.00 0.00 C ATOM 702 NZ LYS A 44 -3.701 -13.892 5.521 1.00 0.00 N ATOM 0 H LYS A 44 -9.338 -11.119 6.640 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.789 -11.251 4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.787 -13.395 5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.417 -13.707 4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.331 -12.294 5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.557 -14.015 6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.999 -14.532 3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.231 -12.878 3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.845 -13.590 3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.162 -12.165 4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.684 -13.673 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.140 -13.541 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.833 -14.922 5.457 1.00 0.00 H new ATOM 716 N ASN A 45 -10.496 -10.243 4.162 1.00 0.00 N ATOM 717 CA ASN A 45 -11.686 -9.878 3.401 1.00 0.00 C ATOM 718 C ASN A 45 -11.297 -9.370 2.000 1.00 0.00 C ATOM 719 O ASN A 45 -10.124 -9.393 1.616 1.00 0.00 O ATOM 720 CB ASN A 45 -12.558 -8.865 4.169 1.00 0.00 C ATOM 721 CG ASN A 45 -13.957 -8.887 3.563 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.549 -9.953 3.423 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.419 -7.791 2.989 1.00 0.00 N ATOM 0 H ASN A 45 -10.166 -9.504 4.783 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.296 -10.772 3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.598 -9.123 5.227 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.129 -7.865 4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.270 -7.829 2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.925 -6.906 3.107 1.00 0.00 H new ATOM 730 N ARG A 46 -12.272 -8.943 1.194 1.00 0.00 N ATOM 731 CA ARG A 46 -12.116 -8.582 -0.214 1.00 0.00 C ATOM 732 C ARG A 46 -11.853 -7.092 -0.364 1.00 0.00 C ATOM 733 O ARG A 46 -10.931 -6.716 -1.089 1.00 0.00 O ATOM 734 CB ARG A 46 -13.367 -8.965 -1.014 1.00 0.00 C ATOM 735 CG ARG A 46 -13.876 -10.366 -0.679 1.00 0.00 C ATOM 736 CD ARG A 46 -15.183 -10.618 -1.420 1.00 0.00 C ATOM 737 NE ARG A 46 -15.450 -12.061 -1.500 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.618 -12.665 -1.732 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.745 -11.981 -1.846 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.665 -13.984 -1.843 1.00 0.00 N ATOM 0 H ARG A 46 -13.232 -8.835 1.520 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.261 -9.133 -0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.156 -8.239 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.143 -8.910 -2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.134 -11.112 -0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.030 -10.462 0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -16.003 -10.117 -0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.129 -10.194 -2.423 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.647 -12.675 -1.362 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.736 -10.965 -1.757 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.623 -12.470 -2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.811 -14.534 -1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.555 -14.449 -2.020 1.00 0.00 H new ATOM 754 N GLU A 47 -12.600 -6.253 0.356 1.00 0.00 N ATOM 755 CA GLU A 47 -12.565 -4.804 0.155 1.00 0.00 C ATOM 756 C GLU A 47 -11.179 -4.210 0.438 1.00 0.00 C ATOM 757 O GLU A 47 -10.835 -3.182 -0.143 1.00 0.00 O ATOM 758 CB GLU A 47 -13.599 -4.086 1.006 1.00 0.00 C ATOM 759 CG GLU A 47 -15.030 -4.606 0.879 1.00 0.00 C ATOM 760 CD GLU A 47 -15.445 -5.339 -0.400 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.308 -4.791 -1.508 1.00 0.00 O ATOM 762 OE2 GLU A 47 -15.942 -6.481 -0.267 1.00 0.00 O ATOM 0 H GLU A 47 -13.241 -6.556 1.089 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.802 -4.648 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.297 -4.156 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.590 -3.028 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.211 -5.279 1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.701 -3.756 1.003 1.00 0.00 H new ATOM 769 N THR A 48 -10.361 -4.845 1.286 1.00 0.00 N ATOM 770 CA THR A 48 -9.004 -4.406 1.592 1.00 0.00 C ATOM 771 C THR A 48 -8.198 -4.298 0.297 1.00 0.00 C ATOM 772 O THR A 48 -7.709 -3.223 -0.041 1.00 0.00 O ATOM 773 CB THR A 48 -8.336 -5.386 2.572 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.279 -5.897 3.491 1.00 0.00 O ATOM 775 CG2 THR A 48 -7.197 -4.730 3.355 1.00 0.00 C ATOM 0 H THR A 48 -10.633 -5.692 1.785 1.00 0.00 H new ATOM 0 HA THR A 48 -9.039 -3.425 2.067 1.00 0.00 H new ATOM 0 HB THR A 48 -7.925 -6.195 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.015 -6.801 3.762 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.755 -5.459 4.034 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.436 -4.373 2.661 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.587 -3.889 3.929 1.00 0.00 H new ATOM 783 N GLY A 49 -8.101 -5.402 -0.449 1.00 0.00 N ATOM 784 CA GLY A 49 -7.437 -5.463 -1.735 1.00 0.00 C ATOM 785 C GLY A 49 -8.036 -4.482 -2.733 1.00 0.00 C ATOM 786 O GLY A 49 -7.289 -3.899 -3.510 1.00 0.00 O ATOM 0 H GLY A 49 -8.496 -6.297 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.376 -5.247 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.510 -6.475 -2.133 1.00 0.00 H new ATOM 790 N CYS A 50 -9.356 -4.263 -2.696 1.00 0.00 N ATOM 791 CA CYS A 50 -10.013 -3.274 -3.538 1.00 0.00 C ATOM 792 C CYS A 50 -9.472 -1.874 -3.244 1.00 0.00 C ATOM 793 O CYS A 50 -9.135 -1.133 -4.162 1.00 0.00 O ATOM 794 CB CYS A 50 -11.528 -3.291 -3.311 1.00 0.00 C ATOM 795 SG CYS A 50 -12.447 -4.815 -3.681 1.00 0.00 S ATOM 0 H CYS A 50 -9.992 -4.769 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.805 -3.528 -4.577 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.709 -3.041 -2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.961 -2.490 -3.910 1.00 0.00 H new ATOM 800 N ALA A 51 -9.374 -1.495 -1.966 1.00 0.00 N ATOM 801 CA ALA A 51 -8.824 -0.197 -1.617 1.00 0.00 C ATOM 802 C ALA A 51 -7.362 -0.113 -2.018 1.00 0.00 C ATOM 803 O ALA A 51 -6.990 0.891 -2.607 1.00 0.00 O ATOM 804 CB ALA A 51 -8.951 0.120 -0.132 1.00 0.00 C ATOM 0 H ALA A 51 -9.666 -2.065 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.410 0.540 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.523 1.102 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.003 0.118 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.418 -0.633 0.448 1.00 0.00 H new ATOM 810 N ILE A 52 -6.544 -1.126 -1.708 1.00 0.00 N ATOM 811 CA ILE A 52 -5.138 -1.192 -2.096 1.00 0.00 C ATOM 812 C ILE A 52 -5.029 -0.909 -3.600 1.00 0.00 C ATOM 813 O ILE A 52 -4.350 0.028 -3.999 1.00 0.00 O ATOM 814 CB ILE A 52 -4.539 -2.548 -1.657 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.468 -2.620 -0.113 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.136 -2.780 -2.235 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.087 -3.999 0.434 1.00 0.00 C ATOM 0 H ILE A 52 -6.851 -1.936 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.545 -0.431 -1.590 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.196 -3.327 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.742 -1.888 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.436 -2.333 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.759 -3.745 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.185 -2.770 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.467 -1.990 -1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.060 -3.964 1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.825 -4.734 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.105 -4.282 0.055 1.00 0.00 H new ATOM 829 N MET A 53 -5.755 -1.661 -4.422 1.00 0.00 N ATOM 830 CA MET A 53 -5.785 -1.510 -5.867 1.00 0.00 C ATOM 831 C MET A 53 -6.174 -0.091 -6.285 1.00 0.00 C ATOM 832 O MET A 53 -5.580 0.458 -7.203 1.00 0.00 O ATOM 833 CB MET A 53 -6.773 -2.546 -6.406 1.00 0.00 C ATOM 834 CG MET A 53 -6.882 -2.650 -7.920 1.00 0.00 C ATOM 835 SD MET A 53 -8.392 -1.898 -8.607 1.00 0.00 S ATOM 836 CE MET A 53 -9.708 -2.799 -7.731 1.00 0.00 C ATOM 0 H MET A 53 -6.356 -2.414 -4.087 1.00 0.00 H new ATOM 0 HA MET A 53 -4.791 -1.676 -6.284 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.491 -3.524 -6.015 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.761 -2.317 -6.007 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.013 -2.171 -8.370 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.850 -3.702 -8.205 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.614 -2.799 -8.337 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.390 -3.826 -7.554 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.909 -2.312 -6.777 1.00 0.00 H new ATOM 846 N CYS A 54 -7.115 0.554 -5.598 1.00 0.00 N ATOM 847 CA CYS A 54 -7.563 1.902 -5.931 1.00 0.00 C ATOM 848 C CYS A 54 -6.508 2.933 -5.509 1.00 0.00 C ATOM 849 O CYS A 54 -6.202 3.877 -6.221 1.00 0.00 O ATOM 850 CB CYS A 54 -8.896 2.143 -5.228 1.00 0.00 C ATOM 851 SG CYS A 54 -9.555 3.818 -5.402 1.00 0.00 S ATOM 0 H CYS A 54 -7.590 0.152 -4.790 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.698 2.007 -7.007 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.629 1.437 -5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.776 1.924 -4.167 1.00 0.00 H new ATOM 856 N LEU A 55 -5.900 2.794 -4.340 1.00 0.00 N ATOM 857 CA LEU A 55 -4.787 3.574 -3.858 1.00 0.00 C ATOM 858 C LEU A 55 -3.501 3.417 -4.628 1.00 0.00 C ATOM 859 O LEU A 55 -2.708 4.359 -4.635 1.00 0.00 O ATOM 860 CB LEU A 55 -4.615 3.225 -2.376 1.00 0.00 C ATOM 861 CG LEU A 55 -5.353 4.263 -1.565 1.00 0.00 C ATOM 862 CD1 LEU A 55 -6.635 3.645 -1.215 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.630 4.607 -0.272 1.00 0.00 C ATOM 0 H LEU A 55 -6.195 2.087 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.021 4.628 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.009 2.230 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.559 3.212 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.446 5.184 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.226 4.344 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.177 3.391 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.456 2.740 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.200 5.357 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.531 3.710 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.640 5.001 -0.502 1.00 0.00 H new ATOM 875 N SER A 56 -3.349 2.321 -5.363 1.00 0.00 N ATOM 876 CA SER A 56 -2.307 2.228 -6.360 1.00 0.00 C ATOM 877 C SER A 56 -2.484 3.327 -7.429 1.00 0.00 C ATOM 878 O SER A 56 -1.553 3.659 -8.161 1.00 0.00 O ATOM 879 CB SER A 56 -2.246 0.793 -6.910 1.00 0.00 C ATOM 880 OG SER A 56 -3.112 0.619 -8.021 1.00 0.00 O ATOM 0 H SER A 56 -3.936 1.491 -5.282 1.00 0.00 H new ATOM 0 HA SER A 56 -1.330 2.420 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.223 0.560 -7.206 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.518 0.090 -6.123 1.00 0.00 H new ATOM 0 HG SER A 56 -3.971 0.261 -7.713 1.00 0.00 H new ATOM 886 N THR A 57 -3.658 3.975 -7.478 1.00 0.00 N ATOM 887 CA THR A 57 -3.946 5.026 -8.453 1.00 0.00 C ATOM 888 C THR A 57 -4.455 6.285 -7.729 1.00 0.00 C ATOM 889 O THR A 57 -5.233 7.081 -8.256 1.00 0.00 O ATOM 890 CB THR A 57 -4.794 4.423 -9.592 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.767 5.219 -10.753 1.00 0.00 O ATOM 892 CG2 THR A 57 -6.243 4.123 -9.221 1.00 0.00 C ATOM 0 H THR A 57 -4.431 3.782 -6.841 1.00 0.00 H new ATOM 0 HA THR A 57 -3.063 5.403 -8.969 1.00 0.00 H new ATOM 0 HB THR A 57 -4.313 3.465 -9.790 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.315 4.800 -11.449 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.760 3.702 -10.084 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.267 3.408 -8.399 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.738 5.044 -8.915 1.00 0.00 H new ATOM 900 N LYS A 58 -4.010 6.466 -6.480 1.00 0.00 N ATOM 901 CA LYS A 58 -4.231 7.656 -5.663 1.00 0.00 C ATOM 902 C LYS A 58 -2.911 8.180 -5.092 1.00 0.00 C ATOM 903 O LYS A 58 -2.969 8.899 -4.098 1.00 0.00 O ATOM 904 CB LYS A 58 -5.241 7.359 -4.535 1.00 0.00 C ATOM 905 CG LYS A 58 -6.633 6.899 -4.999 1.00 0.00 C ATOM 906 CD LYS A 58 -7.592 8.053 -5.188 1.00 0.00 C ATOM 907 CE LYS A 58 -8.939 7.480 -5.622 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.987 6.991 -7.019 1.00 0.00 N ATOM 0 H LYS A 58 -3.463 5.755 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.651 8.434 -6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.820 6.590 -3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.357 8.258 -3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.537 6.353 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.045 6.205 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.698 8.616 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.212 8.745 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.200 6.658 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.702 8.248 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.962 7.053 -7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.364 7.575 -7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.668 6.002 -7.052 1.00 0.00 H new ATOM 922 N LEU A 59 -1.735 7.844 -5.634 1.00 0.00 N ATOM 923 CA LEU A 59 -0.442 8.245 -5.050 1.00 0.00 C ATOM 924 C LEU A 59 -0.380 9.766 -4.874 1.00 0.00 C ATOM 925 O LEU A 59 0.142 10.258 -3.879 1.00 0.00 O ATOM 926 CB LEU A 59 0.748 7.787 -5.922 1.00 0.00 C ATOM 927 CG LEU A 59 0.738 6.320 -6.389 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.940 6.049 -7.303 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.741 5.318 -5.232 1.00 0.00 C ATOM 0 H LEU A 59 -1.648 7.289 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.366 7.758 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.788 8.425 -6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.667 7.960 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.195 6.177 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.923 5.009 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.889 6.702 -8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.863 6.244 -6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.734 4.303 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.636 5.464 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.144 5.472 -4.615 1.00 0.00 H new ATOM 941 N ASN A 60 -1.001 10.504 -5.794 1.00 0.00 N ATOM 942 CA ASN A 60 -1.182 11.951 -5.811 1.00 0.00 C ATOM 943 C ASN A 60 -1.935 12.482 -4.584 1.00 0.00 C ATOM 944 O ASN A 60 -1.695 13.613 -4.161 1.00 0.00 O ATOM 945 CB ASN A 60 -1.932 12.332 -7.103 1.00 0.00 C ATOM 946 CG ASN A 60 -3.214 11.524 -7.320 1.00 0.00 C ATOM 947 OD1 ASN A 60 -3.158 10.320 -7.576 1.00 0.00 O ATOM 948 ND2 ASN A 60 -4.378 12.120 -7.166 1.00 0.00 N ATOM 0 H ASN A 60 -1.424 10.067 -6.613 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.195 12.413 -5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.180 13.393 -7.071 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.270 12.185 -7.956 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.241 11.585 -7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.416 13.117 -6.954 1.00 0.00 H new ATOM 955 N MET A 61 -2.823 11.688 -3.988 1.00 0.00 N ATOM 956 CA MET A 61 -3.544 12.033 -2.766 1.00 0.00 C ATOM 957 C MET A 61 -2.676 11.783 -1.538 1.00 0.00 C ATOM 958 O MET A 61 -2.802 12.482 -0.535 1.00 0.00 O ATOM 959 CB MET A 61 -4.792 11.145 -2.637 1.00 0.00 C ATOM 960 CG MET A 61 -5.772 11.332 -3.797 1.00 0.00 C ATOM 961 SD MET A 61 -6.908 12.721 -3.542 1.00 0.00 S ATOM 962 CE MET A 61 -8.030 11.934 -2.354 1.00 0.00 C ATOM 0 H MET A 61 -3.066 10.766 -4.350 1.00 0.00 H new ATOM 0 HA MET A 61 -3.815 13.087 -2.823 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.486 10.100 -2.590 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.299 11.371 -1.699 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.211 11.492 -4.718 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.349 10.417 -3.930 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.822 12.633 -2.083 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.470 11.044 -2.804 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.474 11.652 -1.460 1.00 0.00 H new ATOM 972 N LEU A 62 -1.886 10.708 -1.582 1.00 0.00 N ATOM 973 CA LEU A 62 -1.125 10.185 -0.463 1.00 0.00 C ATOM 974 C LEU A 62 0.110 11.024 -0.230 1.00 0.00 C ATOM 975 O LEU A 62 0.413 11.360 0.916 1.00 0.00 O ATOM 976 CB LEU A 62 -0.757 8.717 -0.756 1.00 0.00 C ATOM 977 CG LEU A 62 -1.980 7.841 -1.057 1.00 0.00 C ATOM 978 CD1 LEU A 62 -1.566 6.485 -1.617 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.874 7.679 0.172 1.00 0.00 C ATOM 0 H LEU A 62 -1.759 10.162 -2.434 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.724 10.226 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.074 8.682 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.223 8.304 0.100 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.564 8.354 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.455 5.888 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.007 6.629 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.939 5.967 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.729 7.052 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.306 7.211 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.225 8.658 0.498 1.00 0.00 H new ATOM 991 N ASP A 63 0.792 11.351 -1.321 1.00 0.00 N ATOM 992 CA ASP A 63 2.026 12.107 -1.324 1.00 0.00 C ATOM 993 C ASP A 63 1.742 13.480 -1.945 1.00 0.00 C ATOM 994 O ASP A 63 1.582 13.579 -3.167 1.00 0.00 O ATOM 995 CB ASP A 63 3.121 11.346 -2.068 1.00 0.00 C ATOM 996 CG ASP A 63 4.423 12.141 -2.104 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.491 13.332 -1.732 1.00 0.00 O ATOM 998 OD2 ASP A 63 5.451 11.549 -2.484 1.00 0.00 O ATOM 0 H ASP A 63 0.486 11.085 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 63 2.392 12.250 -0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.293 10.385 -1.583 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.793 11.135 -3.086 1.00 0.00 H new ATOM 1003 N PRO A 64 1.622 14.547 -1.140 1.00 0.00 N ATOM 1004 CA PRO A 64 1.285 15.875 -1.630 1.00 0.00 C ATOM 1005 C PRO A 64 2.456 16.512 -2.380 1.00 0.00 C ATOM 1006 O PRO A 64 2.252 17.173 -3.401 1.00 0.00 O ATOM 1007 CB PRO A 64 0.909 16.671 -0.384 1.00 0.00 C ATOM 1008 CG PRO A 64 1.704 16.018 0.743 1.00 0.00 C ATOM 1009 CD PRO A 64 1.874 14.571 0.291 1.00 0.00 C ATOM 0 HA PRO A 64 0.468 15.847 -2.351 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.168 17.724 -0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.163 16.624 -0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.668 16.507 0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.172 16.079 1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.879 14.212 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.179 13.917 0.817 1.00 0.00 H new ATOM 1017 N GLU A 65 3.686 16.240 -1.939 1.00 0.00 N ATOM 1018 CA GLU A 65 4.897 16.644 -2.635 1.00 0.00 C ATOM 1019 C GLU A 65 4.989 15.934 -3.988 1.00 0.00 C ATOM 1020 O GLU A 65 5.560 16.475 -4.931 1.00 0.00 O ATOM 1021 CB GLU A 65 6.143 16.334 -1.800 1.00 0.00 C ATOM 1022 CG GLU A 65 6.117 17.011 -0.428 1.00 0.00 C ATOM 1023 CD GLU A 65 7.406 16.689 0.320 1.00 0.00 C ATOM 1024 OE1 GLU A 65 7.558 15.516 0.738 1.00 0.00 O ATOM 1025 OE2 GLU A 65 8.295 17.569 0.399 1.00 0.00 O ATOM 0 H GLU A 65 3.865 15.726 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 65 4.850 17.721 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.227 15.255 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.030 16.658 -2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.011 18.090 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.256 16.666 0.144 1.00 0.00 H new ATOM 1032 N GLY A 66 4.352 14.773 -4.142 1.00 0.00 N ATOM 1033 CA GLY A 66 4.365 13.983 -5.362 1.00 0.00 C ATOM 1034 C GLY A 66 5.780 13.541 -5.699 1.00 0.00 C ATOM 1035 O GLY A 66 6.259 13.769 -6.804 1.00 0.00 O ATOM 0 H GLY A 66 3.799 14.349 -3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.724 13.109 -5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.956 14.569 -6.185 1.00 0.00 H new ATOM 1039 N ASN A 67 6.466 12.948 -4.725 1.00 0.00 N ATOM 1040 CA ASN A 67 7.742 12.261 -4.913 1.00 0.00 C ATOM 1041 C ASN A 67 7.510 10.812 -5.313 1.00 0.00 C ATOM 1042 O ASN A 67 8.198 10.291 -6.188 1.00 0.00 O ATOM 1043 CB ASN A 67 8.549 12.335 -3.606 1.00 0.00 C ATOM 1044 CG ASN A 67 9.393 13.594 -3.587 1.00 0.00 C ATOM 1045 OD1 ASN A 67 10.613 13.543 -3.528 1.00 0.00 O ATOM 1046 ND2 ASN A 67 8.753 14.753 -3.616 1.00 0.00 N ATOM 0 H ASN A 67 6.142 12.931 -3.758 1.00 0.00 H new ATOM 0 HA ASN A 67 8.302 12.746 -5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.873 12.328 -2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.189 11.457 -3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.279 15.627 -3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.734 14.772 -3.665 1.00 0.00 H new ATOM 1053 N LEU A 68 6.539 10.172 -4.668 1.00 0.00 N ATOM 1054 CA LEU A 68 6.037 8.850 -4.973 1.00 0.00 C ATOM 1055 C LEU A 68 5.367 8.875 -6.345 1.00 0.00 C ATOM 1056 O LEU A 68 4.342 9.543 -6.515 1.00 0.00 O ATOM 1057 CB LEU A 68 5.035 8.461 -3.866 1.00 0.00 C ATOM 1058 CG LEU A 68 4.567 6.997 -3.973 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.713 5.985 -4.038 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.682 6.668 -2.774 1.00 0.00 C ATOM 0 H LEU A 68 6.058 10.593 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 68 6.841 8.115 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.497 8.620 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.168 9.120 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 68 4.021 6.912 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.305 4.977 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.331 6.191 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.320 6.065 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.347 5.633 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.250 6.805 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.816 7.330 -2.768 1.00 0.00 H new ATOM 1072 N HIS A 69 5.942 8.182 -7.324 1.00 0.00 N ATOM 1073 CA HIS A 69 5.415 8.053 -8.676 1.00 0.00 C ATOM 1074 C HIS A 69 5.101 6.585 -8.961 1.00 0.00 C ATOM 1075 O HIS A 69 5.506 5.688 -8.224 1.00 0.00 O ATOM 1076 CB HIS A 69 6.467 8.535 -9.678 1.00 0.00 C ATOM 1077 CG HIS A 69 6.717 10.022 -9.777 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.684 10.580 -10.581 1.00 0.00 N ATOM 1079 CD2 HIS A 69 6.103 11.046 -9.102 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.661 11.909 -10.393 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.698 12.242 -9.519 1.00 0.00 N ATOM 0 H HIS A 69 6.819 7.678 -7.191 1.00 0.00 H new ATOM 0 HA HIS A 69 4.509 8.652 -8.769 1.00 0.00 H new ATOM 0 HB2 HIS A 69 7.412 8.052 -9.429 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.177 8.178 -10.666 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.306 10.947 -8.380 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.324 12.611 -10.877 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.448 13.184 -9.217 1.00 0.00 H new ATOM 1089 N HIS A 70 4.403 6.344 -10.065 1.00 0.00 N ATOM 1090 CA HIS A 70 3.958 5.012 -10.472 1.00 0.00 C ATOM 1091 C HIS A 70 5.156 4.273 -11.071 1.00 0.00 C ATOM 1092 O HIS A 70 5.779 4.751 -12.024 1.00 0.00 O ATOM 1093 CB HIS A 70 2.781 5.132 -11.455 1.00 0.00 C ATOM 1094 CG HIS A 70 1.811 3.968 -11.530 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.910 2.722 -10.946 1.00 0.00 N ATOM 1096 CD2 HIS A 70 0.584 4.019 -12.135 1.00 0.00 C ATOM 1097 CE1 HIS A 70 0.768 2.054 -11.185 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -0.076 2.811 -11.908 1.00 0.00 N ATOM 0 H HIS A 70 4.125 7.079 -10.715 1.00 0.00 H new ATOM 0 HA HIS A 70 3.593 4.439 -9.620 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.214 6.026 -11.194 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.190 5.294 -12.452 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.711 2.369 -10.423 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.192 4.855 -12.695 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.558 1.051 -10.844 1.00 0.00 H new ATOM 1106 N GLY A 71 5.488 3.125 -10.494 1.00 0.00 N ATOM 1107 CA GLY A 71 6.655 2.309 -10.776 1.00 0.00 C ATOM 1108 C GLY A 71 7.904 2.856 -10.092 1.00 0.00 C ATOM 1109 O GLY A 71 8.996 2.366 -10.360 1.00 0.00 O ATOM 0 H GLY A 71 4.905 2.713 -9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.474 1.288 -10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.818 2.267 -11.853 1.00 0.00 H new ATOM 1113 N ASN A 72 7.799 3.922 -9.287 1.00 0.00 N ATOM 1114 CA ASN A 72 8.965 4.715 -8.948 1.00 0.00 C ATOM 1115 C ASN A 72 8.812 5.406 -7.599 1.00 0.00 C ATOM 1116 O ASN A 72 8.472 6.588 -7.499 1.00 0.00 O ATOM 1117 CB ASN A 72 9.195 5.730 -10.061 1.00 0.00 C ATOM 1118 CG ASN A 72 10.531 6.432 -9.922 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.392 6.040 -9.133 1.00 0.00 O ATOM 1120 ND2 ASN A 72 10.725 7.450 -10.737 1.00 0.00 N ATOM 0 H ASN A 72 6.926 4.244 -8.868 1.00 0.00 H new ATOM 0 HA ASN A 72 9.830 4.058 -8.858 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.149 5.226 -11.026 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.394 6.469 -10.049 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.616 7.946 -10.730 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.984 7.741 -11.375 1.00 0.00 H new ATOM 1127 N ALA A 73 9.095 4.659 -6.542 1.00 0.00 N ATOM 1128 CA ALA A 73 9.124 5.166 -5.186 1.00 0.00 C ATOM 1129 C ALA A 73 10.547 5.529 -4.737 1.00 0.00 C ATOM 1130 O ALA A 73 10.733 5.788 -3.555 1.00 0.00 O ATOM 1131 CB ALA A 73 8.492 4.103 -4.289 1.00 0.00 C ATOM 0 H ALA A 73 9.314 3.665 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 73 8.558 6.095 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.496 4.450 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.465 3.922 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.063 3.178 -4.363 1.00 0.00 H new ATOM 1137 N MET A 74 11.555 5.591 -5.619 1.00 0.00 N ATOM 1138 CA MET A 74 12.969 5.511 -5.243 1.00 0.00 C ATOM 1139 C MET A 74 13.373 6.718 -4.399 1.00 0.00 C ATOM 1140 O MET A 74 14.173 6.623 -3.470 1.00 0.00 O ATOM 1141 CB MET A 74 13.834 5.457 -6.516 1.00 0.00 C ATOM 1142 CG MET A 74 13.805 4.096 -7.218 1.00 0.00 C ATOM 1143 SD MET A 74 14.705 2.800 -6.324 1.00 0.00 S ATOM 1144 CE MET A 74 14.486 1.404 -7.457 1.00 0.00 C ATOM 0 H MET A 74 11.407 5.699 -6.622 1.00 0.00 H new ATOM 0 HA MET A 74 13.124 4.608 -4.652 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.491 6.223 -7.212 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.864 5.701 -6.256 1.00 0.00 H new ATOM 0 HG2 MET A 74 12.768 3.785 -7.346 1.00 0.00 H new ATOM 0 HG3 MET A 74 14.232 4.202 -8.215 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.984 0.524 -7.050 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.423 1.197 -7.577 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.920 1.650 -8.426 1.00 0.00 H new ATOM 1154 N GLU A 75 12.820 7.882 -4.727 1.00 0.00 N ATOM 1155 CA GLU A 75 13.051 9.098 -3.939 1.00 0.00 C ATOM 1156 C GLU A 75 12.318 9.025 -2.604 1.00 0.00 C ATOM 1157 O GLU A 75 12.892 9.301 -1.552 1.00 0.00 O ATOM 1158 CB GLU A 75 12.587 10.334 -4.727 1.00 0.00 C ATOM 1159 CG GLU A 75 13.761 11.034 -5.419 1.00 0.00 C ATOM 1160 CD GLU A 75 14.609 11.899 -4.470 1.00 0.00 C ATOM 1161 OE1 GLU A 75 14.047 12.600 -3.606 1.00 0.00 O ATOM 1162 OE2 GLU A 75 15.857 11.931 -4.611 1.00 0.00 O ATOM 0 H GLU A 75 12.208 8.013 -5.532 1.00 0.00 H new ATOM 0 HA GLU A 75 14.120 9.181 -3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.850 10.036 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.093 11.032 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.401 10.282 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.376 11.662 -6.223 1.00 0.00 H new ATOM 1169 N PHE A 76 11.043 8.645 -2.645 1.00 0.00 N ATOM 1170 CA PHE A 76 10.178 8.558 -1.488 1.00 0.00 C ATOM 1171 C PHE A 76 10.747 7.571 -0.457 1.00 0.00 C ATOM 1172 O PHE A 76 10.789 7.883 0.734 1.00 0.00 O ATOM 1173 CB PHE A 76 8.782 8.196 -2.007 1.00 0.00 C ATOM 1174 CG PHE A 76 7.834 7.748 -0.929 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.182 8.698 -0.121 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.659 6.372 -0.709 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.350 8.253 0.929 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.804 5.940 0.312 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.151 6.876 1.129 1.00 0.00 C ATOM 0 H PHE A 76 10.577 8.383 -3.514 1.00 0.00 H new ATOM 0 HA PHE A 76 10.112 9.503 -0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.357 9.062 -2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.874 7.404 -2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.316 9.754 -0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.180 5.652 -1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.867 8.969 1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.646 4.884 0.471 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.493 6.537 1.915 1.00 0.00 H new ATOM 1189 N ALA A 77 11.248 6.424 -0.915 1.00 0.00 N ATOM 1190 CA ALA A 77 11.976 5.440 -0.137 1.00 0.00 C ATOM 1191 C ALA A 77 13.201 6.084 0.516 1.00 0.00 C ATOM 1192 O ALA A 77 13.395 5.942 1.729 1.00 0.00 O ATOM 1193 CB ALA A 77 12.353 4.268 -1.056 1.00 0.00 C ATOM 0 H ALA A 77 11.148 6.148 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 77 11.355 5.056 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.902 3.519 -0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.447 3.820 -1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.978 4.632 -1.872 1.00 0.00 H new ATOM 1199 N LYS A 78 14.006 6.847 -0.239 1.00 0.00 N ATOM 1200 CA LYS A 78 15.210 7.465 0.315 1.00 0.00 C ATOM 1201 C LYS A 78 14.901 8.478 1.409 1.00 0.00 C ATOM 1202 O LYS A 78 15.724 8.602 2.322 1.00 0.00 O ATOM 1203 CB LYS A 78 16.083 8.064 -0.798 1.00 0.00 C ATOM 1204 CG LYS A 78 16.937 6.947 -1.419 1.00 0.00 C ATOM 1205 CD LYS A 78 17.919 7.444 -2.482 1.00 0.00 C ATOM 1206 CE LYS A 78 19.107 8.124 -1.795 1.00 0.00 C ATOM 1207 NZ LYS A 78 19.914 8.933 -2.724 1.00 0.00 N ATOM 0 H LYS A 78 13.843 7.047 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 78 15.783 6.673 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.456 8.527 -1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.724 8.847 -0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.494 6.445 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.277 6.203 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.266 6.610 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.422 8.145 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.740 8.761 -0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.740 7.364 -1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.704 9.370 -2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 20.289 8.324 -3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.320 9.677 -3.142 1.00 0.00 H new ATOM 1221 N LYS A 79 13.724 9.120 1.406 1.00 0.00 N ATOM 1222 CA LYS A 79 13.290 9.971 2.525 1.00 0.00 C ATOM 1223 C LYS A 79 13.125 9.195 3.822 1.00 0.00 C ATOM 1224 O LYS A 79 13.105 9.814 4.887 1.00 0.00 O ATOM 1225 CB LYS A 79 11.973 10.696 2.245 1.00 0.00 C ATOM 1226 CG LYS A 79 12.111 11.549 0.985 1.00 0.00 C ATOM 1227 CD LYS A 79 11.051 12.636 0.894 1.00 0.00 C ATOM 1228 CE LYS A 79 9.650 12.074 0.627 1.00 0.00 C ATOM 1229 NZ LYS A 79 8.656 12.470 1.646 1.00 0.00 N ATOM 0 H LYS A 79 13.053 9.066 0.639 1.00 0.00 H new ATOM 0 HA LYS A 79 14.092 10.701 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.168 9.972 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.706 11.325 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.099 12.008 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.043 10.907 0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.039 13.205 1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.317 13.332 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.311 12.413 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.704 10.986 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.864 11.796 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.103 12.470 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.301 13.424 1.432 1.00 0.00 H new ATOM 1243 N HIS A 80 12.974 7.875 3.749 1.00 0.00 N ATOM 1244 CA HIS A 80 12.860 6.994 4.892 1.00 0.00 C ATOM 1245 C HIS A 80 14.109 6.115 5.025 1.00 0.00 C ATOM 1246 O HIS A 80 14.088 5.106 5.733 1.00 0.00 O ATOM 1247 CB HIS A 80 11.583 6.176 4.725 1.00 0.00 C ATOM 1248 CG HIS A 80 10.328 7.004 4.556 1.00 0.00 C ATOM 1249 ND1 HIS A 80 9.290 6.738 3.692 1.00 0.00 N ATOM 1250 CD2 HIS A 80 10.027 8.169 5.208 1.00 0.00 C ATOM 1251 CE1 HIS A 80 8.367 7.696 3.859 1.00 0.00 C ATOM 1252 NE2 HIS A 80 8.766 8.592 4.781 1.00 0.00 N ATOM 0 H HIS A 80 12.927 7.379 2.859 1.00 0.00 H new ATOM 0 HA HIS A 80 12.796 7.565 5.818 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.694 5.525 3.858 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.463 5.530 5.595 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.655 8.673 5.927 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.429 7.743 3.325 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.252 9.413 5.102 1.00 0.00 H new ATOM 1260 N GLY A 81 15.202 6.451 4.332 1.00 0.00 N ATOM 1261 CA GLY A 81 16.471 5.751 4.450 1.00 0.00 C ATOM 1262 C GLY A 81 16.555 4.443 3.675 1.00 0.00 C ATOM 1263 O GLY A 81 17.624 3.830 3.650 1.00 0.00 O ATOM 0 H GLY A 81 15.224 7.225 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.267 6.412 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.659 5.545 5.504 1.00 0.00 H new ATOM 1267 N ALA A 82 15.453 4.006 3.077 1.00 0.00 N ATOM 1268 CA ALA A 82 15.420 2.911 2.124 1.00 0.00 C ATOM 1269 C ALA A 82 16.069 3.433 0.845 1.00 0.00 C ATOM 1270 O ALA A 82 15.479 4.246 0.143 1.00 0.00 O ATOM 1271 CB ALA A 82 13.982 2.425 1.918 1.00 0.00 C ATOM 0 H ALA A 82 14.535 4.417 3.248 1.00 0.00 H new ATOM 0 HA ALA A 82 15.970 2.039 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.975 1.604 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.575 2.080 2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.372 3.244 1.538 1.00 0.00 H new ATOM 1277 N ASP A 83 17.326 3.071 0.599 1.00 0.00 N ATOM 1278 CA ASP A 83 18.006 3.429 -0.631 1.00 0.00 C ATOM 1279 C ASP A 83 17.556 2.555 -1.794 1.00 0.00 C ATOM 1280 O ASP A 83 16.645 1.742 -1.676 1.00 0.00 O ATOM 1281 CB ASP A 83 19.521 3.407 -0.456 1.00 0.00 C ATOM 1282 CG ASP A 83 20.065 2.193 0.266 1.00 0.00 C ATOM 1283 OD1 ASP A 83 20.019 1.082 -0.305 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.622 2.415 1.362 1.00 0.00 O ATOM 0 H ASP A 83 17.894 2.524 1.246 1.00 0.00 H new ATOM 0 HA ASP A 83 17.725 4.453 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 83 19.986 3.464 -1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.821 4.301 0.091 1.00 0.00 H new ATOM 1289 N GLU A 84 18.180 2.768 -2.947 1.00 0.00 N ATOM 1290 CA GLU A 84 17.842 2.146 -4.198 1.00 0.00 C ATOM 1291 C GLU A 84 17.933 0.623 -4.070 1.00 0.00 C ATOM 1292 O GLU A 84 17.066 -0.055 -4.603 1.00 0.00 O ATOM 1293 CB GLU A 84 18.775 2.776 -5.244 1.00 0.00 C ATOM 1294 CG GLU A 84 19.160 1.826 -6.362 1.00 0.00 C ATOM 1295 CD GLU A 84 20.025 2.470 -7.444 1.00 0.00 C ATOM 1296 OE1 GLU A 84 20.773 3.439 -7.170 1.00 0.00 O ATOM 1297 OE2 GLU A 84 20.071 1.914 -8.565 1.00 0.00 O ATOM 0 H GLU A 84 18.969 3.410 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 84 16.812 2.320 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.288 3.651 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 84 19.680 3.126 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.697 0.978 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.253 1.432 -6.821 1.00 0.00 H new ATOM 1304 N THR A 85 18.920 0.070 -3.357 1.00 0.00 N ATOM 1305 CA THR A 85 18.991 -1.372 -3.158 1.00 0.00 C ATOM 1306 C THR A 85 17.823 -1.847 -2.294 1.00 0.00 C ATOM 1307 O THR A 85 17.219 -2.869 -2.609 1.00 0.00 O ATOM 1308 CB THR A 85 20.345 -1.749 -2.535 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.400 -1.375 -3.402 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.471 -3.253 -2.280 1.00 0.00 C ATOM 0 H THR A 85 19.672 0.598 -2.914 1.00 0.00 H new ATOM 0 HA THR A 85 18.913 -1.873 -4.123 1.00 0.00 H new ATOM 0 HB THR A 85 20.405 -1.220 -1.584 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.258 -1.617 -2.996 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.445 -3.467 -1.840 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.685 -3.573 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.373 -3.791 -3.223 1.00 0.00 H new ATOM 1318 N MET A 86 17.496 -1.133 -1.215 1.00 0.00 N ATOM 1319 CA MET A 86 16.396 -1.467 -0.332 1.00 0.00 C ATOM 1320 C MET A 86 15.067 -1.434 -1.095 1.00 0.00 C ATOM 1321 O MET A 86 14.305 -2.392 -1.027 1.00 0.00 O ATOM 1322 CB MET A 86 16.439 -0.480 0.844 1.00 0.00 C ATOM 1323 CG MET A 86 17.583 -0.794 1.815 1.00 0.00 C ATOM 1324 SD MET A 86 17.536 0.162 3.357 1.00 0.00 S ATOM 1325 CE MET A 86 19.259 -0.028 3.858 1.00 0.00 C ATOM 0 H MET A 86 18.002 -0.294 -0.933 1.00 0.00 H new ATOM 0 HA MET A 86 16.487 -2.482 0.055 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.556 0.534 0.462 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.490 -0.512 1.379 1.00 0.00 H new ATOM 0 HG2 MET A 86 17.556 -1.856 2.059 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.532 -0.606 1.313 1.00 0.00 H new ATOM 0 HE1 MET A 86 19.425 0.499 4.798 1.00 0.00 H new ATOM 0 HE2 MET A 86 19.485 -1.086 3.990 1.00 0.00 H new ATOM 0 HE3 MET A 86 19.910 0.389 3.089 1.00 0.00 H new ATOM 1335 N ALA A 87 14.802 -0.382 -1.864 1.00 0.00 N ATOM 1336 CA ALA A 87 13.634 -0.319 -2.727 1.00 0.00 C ATOM 1337 C ALA A 87 13.662 -1.467 -3.738 1.00 0.00 C ATOM 1338 O ALA A 87 12.708 -2.233 -3.825 1.00 0.00 O ATOM 1339 CB ALA A 87 13.595 1.052 -3.406 1.00 0.00 C ATOM 0 H ALA A 87 15.392 0.449 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 87 12.722 -0.436 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.722 1.111 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.536 1.832 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.499 1.190 -3.999 1.00 0.00 H new ATOM 1345 N GLN A 88 14.760 -1.644 -4.479 1.00 0.00 N ATOM 1346 CA GLN A 88 14.871 -2.660 -5.521 1.00 0.00 C ATOM 1347 C GLN A 88 14.606 -4.067 -4.970 1.00 0.00 C ATOM 1348 O GLN A 88 13.943 -4.860 -5.641 1.00 0.00 O ATOM 1349 CB GLN A 88 16.258 -2.569 -6.185 1.00 0.00 C ATOM 1350 CG GLN A 88 16.399 -3.399 -7.465 1.00 0.00 C ATOM 1351 CD GLN A 88 15.630 -2.770 -8.623 1.00 0.00 C ATOM 1352 OE1 GLN A 88 16.155 -1.912 -9.335 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.389 -3.171 -8.839 1.00 0.00 N ATOM 0 H GLN A 88 15.602 -1.079 -4.369 1.00 0.00 H new ATOM 0 HA GLN A 88 14.106 -2.470 -6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.469 -1.525 -6.418 1.00 0.00 H new ATOM 0 HB3 GLN A 88 17.013 -2.895 -5.469 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.453 -3.486 -7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.031 -4.410 -7.288 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.971 -3.882 -8.239 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.849 -2.769 -9.606 1.00 0.00 H new ATOM 1362 N GLN A 89 15.096 -4.361 -3.761 1.00 0.00 N ATOM 1363 CA GLN A 89 14.854 -5.598 -3.032 1.00 0.00 C ATOM 1364 C GLN A 89 13.351 -5.852 -2.889 1.00 0.00 C ATOM 1365 O GLN A 89 12.919 -6.994 -3.060 1.00 0.00 O ATOM 1366 CB GLN A 89 15.514 -5.517 -1.637 1.00 0.00 C ATOM 1367 CG GLN A 89 16.996 -5.921 -1.583 1.00 0.00 C ATOM 1368 CD GLN A 89 17.259 -7.421 -1.682 1.00 0.00 C ATOM 1369 OE1 GLN A 89 16.361 -8.231 -1.885 1.00 0.00 O ATOM 1370 NE2 GLN A 89 18.505 -7.835 -1.531 1.00 0.00 N ATOM 0 H GLN A 89 15.695 -3.714 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 89 15.291 -6.426 -3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.420 -4.496 -1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.956 -6.156 -0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.523 -5.420 -2.395 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.424 -5.553 -0.650 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.250 -7.159 -1.362 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.722 -8.830 -1.583 1.00 0.00 H new ATOM 1379 N LEU A 90 12.571 -4.822 -2.545 1.00 0.00 N ATOM 1380 CA LEU A 90 11.122 -4.910 -2.376 1.00 0.00 C ATOM 1381 C LEU A 90 10.379 -4.946 -3.706 1.00 0.00 C ATOM 1382 O LEU A 90 9.428 -5.710 -3.836 1.00 0.00 O ATOM 1383 CB LEU A 90 10.598 -3.706 -1.583 1.00 0.00 C ATOM 1384 CG LEU A 90 11.126 -3.585 -0.145 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.646 -2.242 0.414 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.684 -4.736 0.778 1.00 0.00 C ATOM 0 H LEU A 90 12.939 -3.886 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 90 10.938 -5.842 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.855 -2.796 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.510 -3.760 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 90 12.214 -3.643 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.005 -2.124 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.035 -1.431 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.556 -2.213 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.095 -4.581 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.596 -4.760 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.048 -5.683 0.379 1.00 0.00 H new ATOM 1398 N ILE A 91 10.793 -4.141 -4.679 1.00 0.00 N ATOM 1399 CA ILE A 91 10.155 -4.043 -5.987 1.00 0.00 C ATOM 1400 C ILE A 91 10.241 -5.394 -6.710 1.00 0.00 C ATOM 1401 O ILE A 91 9.286 -5.855 -7.335 1.00 0.00 O ATOM 1402 CB ILE A 91 10.802 -2.854 -6.736 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.245 -1.530 -6.159 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.598 -2.884 -8.259 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.219 -0.364 -6.282 1.00 0.00 C ATOM 0 H ILE A 91 11.600 -3.525 -4.578 1.00 0.00 H new ATOM 0 HA ILE A 91 9.088 -3.833 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 91 11.878 -2.933 -6.578 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.319 -1.277 -6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.994 -1.676 -5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.082 -2.017 -8.708 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.036 -3.795 -8.667 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.532 -2.861 -8.484 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.767 0.533 -5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.136 -0.598 -5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.451 -0.193 -7.333 1.00 0.00 H new ATOM 1417 N ASP A 92 11.368 -6.097 -6.570 1.00 0.00 N ATOM 1418 CA ASP A 92 11.495 -7.451 -7.099 1.00 0.00 C ATOM 1419 C ASP A 92 10.461 -8.373 -6.490 1.00 0.00 C ATOM 1420 O ASP A 92 9.782 -9.127 -7.178 1.00 0.00 O ATOM 1421 CB ASP A 92 12.866 -8.032 -6.764 1.00 0.00 C ATOM 1422 CG ASP A 92 13.176 -9.228 -7.665 1.00 0.00 C ATOM 1423 OD1 ASP A 92 13.036 -9.121 -8.907 1.00 0.00 O ATOM 1424 OD2 ASP A 92 13.544 -10.312 -7.147 1.00 0.00 O ATOM 0 H ASP A 92 12.201 -5.749 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 92 11.355 -7.383 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.632 -7.267 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.891 -8.340 -5.719 1.00 0.00 H new ATOM 1429 N ILE A 93 10.372 -8.305 -5.169 1.00 0.00 N ATOM 1430 CA ILE A 93 9.439 -9.072 -4.369 1.00 0.00 C ATOM 1431 C ILE A 93 7.987 -8.811 -4.753 1.00 0.00 C ATOM 1432 O ILE A 93 7.250 -9.789 -4.846 1.00 0.00 O ATOM 1433 CB ILE A 93 9.732 -8.825 -2.868 1.00 0.00 C ATOM 1434 CG1 ILE A 93 11.037 -9.604 -2.576 1.00 0.00 C ATOM 1435 CG2 ILE A 93 8.578 -9.316 -1.986 1.00 0.00 C ATOM 1436 CD1 ILE A 93 11.555 -9.579 -1.134 1.00 0.00 C ATOM 0 H ILE A 93 10.968 -7.694 -4.611 1.00 0.00 H new ATOM 0 HA ILE A 93 9.586 -10.133 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 93 9.838 -7.763 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.882 -10.644 -2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.819 -9.209 -3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.815 -9.128 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.665 -8.784 -2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.433 -10.385 -2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.473 -10.162 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.756 -8.550 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.804 -10.007 -0.470 1.00 0.00 H new ATOM 1448 N VAL A 94 7.545 -7.565 -4.935 1.00 0.00 N ATOM 1449 CA VAL A 94 6.168 -7.291 -5.356 1.00 0.00 C ATOM 1450 C VAL A 94 5.885 -8.092 -6.616 1.00 0.00 C ATOM 1451 O VAL A 94 4.916 -8.851 -6.670 1.00 0.00 O ATOM 1452 CB VAL A 94 5.953 -5.790 -5.610 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.614 -5.481 -6.293 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.941 -5.030 -4.291 1.00 0.00 C ATOM 0 H VAL A 94 8.118 -6.732 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 94 5.480 -7.585 -4.563 1.00 0.00 H new ATOM 0 HB VAL A 94 6.773 -5.485 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.522 -4.405 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.572 -5.988 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.795 -5.830 -5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.788 -3.968 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.133 -5.405 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.893 -5.172 -3.780 1.00 0.00 H new ATOM 1464 N HIS A 95 6.765 -7.982 -7.605 1.00 0.00 N ATOM 1465 CA HIS A 95 6.554 -8.581 -8.902 1.00 0.00 C ATOM 1466 C HIS A 95 6.769 -10.103 -8.836 1.00 0.00 C ATOM 1467 O HIS A 95 6.184 -10.864 -9.612 1.00 0.00 O ATOM 1468 CB HIS A 95 7.440 -7.794 -9.872 1.00 0.00 C ATOM 1469 CG HIS A 95 7.077 -6.317 -9.919 1.00 0.00 C ATOM 1470 ND1 HIS A 95 7.966 -5.266 -9.981 1.00 0.00 N ATOM 1471 CD2 HIS A 95 5.831 -5.770 -9.734 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.259 -4.125 -9.898 1.00 0.00 C ATOM 1473 NE2 HIS A 95 5.944 -4.384 -9.819 1.00 0.00 N ATOM 0 H HIS A 95 7.644 -7.472 -7.522 1.00 0.00 H new ATOM 0 HA HIS A 95 5.529 -8.509 -9.267 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.483 -7.900 -9.575 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.348 -8.220 -10.871 1.00 0.00 H new ATOM 0 HD1 HIS A 95 8.979 -5.340 -10.073 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.919 -6.320 -9.553 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.690 -3.135 -9.895 1.00 0.00 H new ATOM 1481 N GLY A 96 7.525 -10.573 -7.848 1.00 0.00 N ATOM 1482 CA GLY A 96 7.665 -11.971 -7.479 1.00 0.00 C ATOM 1483 C GLY A 96 6.405 -12.529 -6.821 1.00 0.00 C ATOM 1484 O GLY A 96 6.087 -13.713 -6.948 1.00 0.00 O ATOM 0 H GLY A 96 8.082 -9.956 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.897 -12.557 -8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.507 -12.081 -6.796 1.00 0.00 H new ATOM 1488 N CYS A 97 5.673 -11.671 -6.120 1.00 0.00 N ATOM 1489 CA CYS A 97 4.474 -12.000 -5.374 1.00 0.00 C ATOM 1490 C CYS A 97 3.252 -11.957 -6.273 1.00 0.00 C ATOM 1491 O CYS A 97 2.296 -12.686 -6.005 1.00 0.00 O ATOM 1492 CB CYS A 97 4.292 -11.044 -4.190 1.00 0.00 C ATOM 1493 SG CYS A 97 5.279 -11.459 -2.732 1.00 0.00 S ATOM 0 H CYS A 97 5.914 -10.682 -6.056 1.00 0.00 H new ATOM 0 HA CYS A 97 4.586 -13.013 -4.989 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.549 -10.035 -4.512 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.239 -11.031 -3.909 1.00 0.00 H new ATOM 1498 N GLU A 98 3.281 -11.163 -7.347 1.00 0.00 N ATOM 1499 CA GLU A 98 2.251 -11.184 -8.370 1.00 0.00 C ATOM 1500 C GLU A 98 2.088 -12.612 -8.909 1.00 0.00 C ATOM 1501 O GLU A 98 0.962 -13.061 -9.133 1.00 0.00 O ATOM 1502 CB GLU A 98 2.617 -10.261 -9.534 1.00 0.00 C ATOM 1503 CG GLU A 98 2.445 -8.774 -9.232 1.00 0.00 C ATOM 1504 CD GLU A 98 2.579 -7.948 -10.517 1.00 0.00 C ATOM 1505 OE1 GLU A 98 3.695 -7.823 -11.066 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.535 -7.500 -11.048 1.00 0.00 O ATOM 0 H GLU A 98 4.025 -10.488 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 98 1.320 -10.839 -7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.653 -10.445 -9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.001 -10.519 -10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.469 -8.599 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.194 -8.455 -8.507 1.00 0.00 H new ATOM 1513 N LYS A 99 3.225 -13.299 -9.108 1.00 0.00 N ATOM 1514 CA LYS A 99 3.326 -14.645 -9.663 1.00 0.00 C ATOM 1515 C LYS A 99 2.942 -15.716 -8.651 1.00 0.00 C ATOM 1516 O LYS A 99 2.170 -16.612 -8.994 1.00 0.00 O ATOM 1517 CB LYS A 99 4.753 -14.905 -10.134 1.00 0.00 C ATOM 1518 CG LYS A 99 5.044 -14.163 -11.446 1.00 0.00 C ATOM 1519 CD LYS A 99 6.529 -13.841 -11.538 1.00 0.00 C ATOM 1520 CE LYS A 99 7.409 -15.089 -11.714 1.00 0.00 C ATOM 1521 NZ LYS A 99 8.587 -15.074 -10.819 1.00 0.00 N ATOM 0 H LYS A 99 4.137 -12.907 -8.873 1.00 0.00 H new ATOM 0 HA LYS A 99 2.628 -14.700 -10.499 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.457 -14.584 -9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.903 -15.975 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.742 -14.776 -12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.460 -13.244 -11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.696 -13.165 -12.377 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.836 -13.312 -10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.815 -15.981 -11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.743 -15.153 -12.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.151 -15.934 -10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.169 -14.237 -11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.270 -15.040 -9.829 1.00 0.00 H new ATOM 1535 N SER A 100 3.522 -15.691 -7.441 1.00 0.00 N ATOM 1536 CA SER A 100 3.258 -16.746 -6.467 1.00 0.00 C ATOM 1537 C SER A 100 1.769 -16.782 -6.134 1.00 0.00 C ATOM 1538 O SER A 100 1.175 -17.863 -6.096 1.00 0.00 O ATOM 1539 CB SER A 100 4.145 -16.598 -5.223 1.00 0.00 C ATOM 1540 OG SER A 100 3.898 -15.405 -4.509 1.00 0.00 O ATOM 0 H SER A 100 4.164 -14.964 -7.123 1.00 0.00 H new ATOM 0 HA SER A 100 3.521 -17.709 -6.905 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.982 -17.450 -4.563 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.192 -16.624 -5.525 1.00 0.00 H new ATOM 0 HG SER A 100 4.533 -15.331 -3.767 1.00 0.00 H new ATOM 1546 N THR A 101 1.173 -15.598 -5.970 1.00 0.00 N ATOM 1547 CA THR A 101 -0.254 -15.424 -5.802 1.00 0.00 C ATOM 1548 C THR A 101 -0.957 -15.985 -7.047 1.00 0.00 C ATOM 1549 O THR A 101 -0.670 -15.531 -8.158 1.00 0.00 O ATOM 1550 CB THR A 101 -0.572 -13.934 -5.607 1.00 0.00 C ATOM 1551 OG1 THR A 101 0.224 -13.386 -4.574 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.033 -13.720 -5.222 1.00 0.00 C ATOM 0 H THR A 101 1.690 -14.719 -5.951 1.00 0.00 H new ATOM 0 HA THR A 101 -0.608 -15.958 -4.920 1.00 0.00 H new ATOM 0 HB THR A 101 -0.364 -13.443 -6.557 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.050 -13.022 -4.956 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.223 -12.655 -5.092 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.678 -14.110 -6.010 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.244 -14.242 -4.289 1.00 0.00 H new ATOM 1560 N PRO A 102 -1.889 -16.940 -6.901 1.00 0.00 N ATOM 1561 CA PRO A 102 -2.668 -17.432 -8.023 1.00 0.00 C ATOM 1562 C PRO A 102 -3.508 -16.284 -8.571 1.00 0.00 C ATOM 1563 O PRO A 102 -4.084 -15.510 -7.797 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.518 -18.575 -7.487 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.634 -18.278 -5.996 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.358 -17.516 -5.654 1.00 0.00 C ATOM 0 HA PRO A 102 -2.053 -17.798 -8.845 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.497 -18.604 -7.966 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.047 -19.541 -7.666 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.521 -17.683 -5.778 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.715 -19.196 -5.414 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.554 -16.739 -4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.609 -18.182 -5.226 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.531 -16.159 -9.897 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.282 -15.168 -10.638 1.00 0.00 C ATOM 1576 C ALA A 103 -5.761 -15.460 -10.416 1.00 0.00 C ATOM 1577 O ALA A 103 -6.331 -16.333 -11.075 1.00 0.00 O ATOM 1578 CB ALA A 103 -3.886 -15.205 -12.117 1.00 0.00 C ATOM 0 H ALA A 103 -2.998 -16.780 -10.506 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.065 -14.157 -10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.457 -14.456 -12.665 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.821 -14.993 -12.214 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.098 -16.193 -12.526 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.313 -14.783 -9.418 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.675 -14.922 -8.944 1.00 0.00 C ATOM 1586 C ASN A 104 -8.614 -14.252 -9.942 1.00 0.00 C ATOM 1587 O ASN A 104 -8.285 -13.218 -10.534 1.00 0.00 O ATOM 1588 CB ASN A 104 -7.778 -14.259 -7.558 1.00 0.00 C ATOM 1589 CG ASN A 104 -8.969 -14.696 -6.710 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -10.114 -14.757 -7.138 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -8.743 -15.006 -5.449 1.00 0.00 N ATOM 0 H ASN A 104 -5.789 -14.084 -8.891 1.00 0.00 H new ATOM 0 HA ASN A 104 -7.955 -15.972 -8.856 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.863 -14.469 -7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.827 -13.179 -7.694 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.516 -15.291 -4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.795 -14.961 -5.075 1.00 0.00 H new ATOM 1598 N ASP A 105 -9.810 -14.817 -10.036 1.00 0.00 N ATOM 1599 CA ASP A 105 -11.020 -14.284 -10.637 1.00 0.00 C ATOM 1600 C ASP A 105 -11.364 -12.879 -10.136 1.00 0.00 C ATOM 1601 O ASP A 105 -11.955 -12.071 -10.851 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.125 -15.260 -10.232 1.00 0.00 C ATOM 1603 CG ASP A 105 -13.523 -14.782 -10.596 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -13.871 -14.889 -11.793 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -14.289 -14.464 -9.656 1.00 0.00 O ATOM 0 H ASP A 105 -9.970 -15.750 -9.656 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.897 -14.190 -11.716 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.943 -16.222 -10.711 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.075 -15.426 -9.156 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.990 -12.594 -8.892 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.302 -11.377 -8.170 1.00 0.00 C ATOM 1612 C ASP A 106 -10.026 -10.551 -8.043 1.00 0.00 C ATOM 1613 O ASP A 106 -9.077 -10.968 -7.367 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.819 -11.781 -6.795 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.316 -10.590 -5.993 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -11.544 -9.631 -5.801 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.481 -10.660 -5.538 1.00 0.00 O ATOM 0 H ASP A 106 -10.433 -13.243 -8.337 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.055 -10.781 -8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.629 -12.501 -6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.024 -12.282 -6.243 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.960 -9.398 -8.713 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.744 -8.595 -8.741 1.00 0.00 C ATOM 1624 C LYS A 107 -8.390 -8.057 -7.362 1.00 0.00 C ATOM 1625 O LYS A 107 -7.208 -7.948 -7.035 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.928 -7.418 -9.702 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.641 -7.153 -10.499 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.478 -8.095 -11.709 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.928 -7.336 -12.929 1.00 0.00 C ATOM 1630 NZ LYS A 107 -6.301 -8.229 -13.931 1.00 0.00 N ATOM 0 H LYS A 107 -10.737 -9.003 -9.242 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.931 -9.239 -9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.748 -7.629 -10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.203 -6.525 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.642 -6.120 -10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.781 -7.266 -9.839 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.804 -8.912 -11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.440 -8.542 -11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.739 -6.782 -13.401 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.194 -6.603 -12.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.949 -7.662 -14.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.508 -8.740 -13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.005 -8.913 -14.275 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.394 -7.687 -6.569 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.195 -7.223 -5.210 1.00 0.00 C ATOM 1646 C CYS A 108 -8.523 -8.320 -4.389 1.00 0.00 C ATOM 1647 O CYS A 108 -7.472 -8.106 -3.785 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.528 -6.860 -4.558 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.521 -5.568 -5.329 1.00 0.00 S ATOM 0 H CYS A 108 -10.372 -7.703 -6.859 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.564 -6.335 -5.240 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.134 -7.765 -4.511 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.326 -6.558 -3.530 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.140 -9.496 -4.340 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.655 -10.629 -3.578 1.00 0.00 C ATOM 1656 C ILE A 109 -7.250 -11.024 -4.071 1.00 0.00 C ATOM 1657 O ILE A 109 -6.387 -11.298 -3.229 1.00 0.00 O ATOM 1658 CB ILE A 109 -9.720 -11.747 -3.627 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.034 -11.287 -2.953 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.199 -13.008 -2.938 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.174 -12.297 -3.094 1.00 0.00 C ATOM 0 H ILE A 109 -10.008 -9.687 -4.841 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.520 -10.391 -2.523 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.926 -11.971 -4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.847 -11.107 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.344 -10.337 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.960 -13.787 -2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.298 -13.353 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -8.967 -12.784 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.065 -11.911 -2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.387 -12.460 -4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.883 -13.241 -2.633 1.00 0.00 H new ATOM 1673 N TRP A 110 -6.982 -10.997 -5.386 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.629 -11.119 -5.927 1.00 0.00 C ATOM 1675 C TRP A 110 -4.700 -10.087 -5.286 1.00 0.00 C ATOM 1676 O TRP A 110 -3.700 -10.472 -4.687 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.589 -11.029 -7.463 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.197 -11.098 -8.027 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.460 -12.219 -8.195 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.339 -10.003 -8.458 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.199 -11.900 -8.669 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.079 -10.539 -8.868 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.502 -8.606 -8.531 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.038 -9.724 -9.341 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.457 -7.775 -8.962 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.231 -8.330 -9.359 1.00 0.00 C ATOM 0 H TRP A 110 -7.702 -10.890 -6.101 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.272 -12.117 -5.672 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.184 -11.840 -7.883 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.055 -10.095 -7.778 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -3.806 -13.221 -7.989 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.459 -12.579 -8.847 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.448 -8.167 -8.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.110 -10.157 -9.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.597 -6.704 -8.988 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.429 -7.682 -9.681 1.00 0.00 H new ATOM 1697 N THR A 111 -5.036 -8.801 -5.362 1.00 0.00 N ATOM 1698 CA THR A 111 -4.240 -7.676 -4.876 1.00 0.00 C ATOM 1699 C THR A 111 -3.856 -7.840 -3.394 1.00 0.00 C ATOM 1700 O THR A 111 -2.698 -7.618 -3.017 1.00 0.00 O ATOM 1701 CB THR A 111 -5.031 -6.382 -5.169 1.00 0.00 C ATOM 1702 OG1 THR A 111 -5.186 -6.226 -6.564 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.381 -5.119 -4.607 1.00 0.00 C ATOM 0 H THR A 111 -5.914 -8.500 -5.785 1.00 0.00 H new ATOM 0 HA THR A 111 -3.284 -7.630 -5.397 1.00 0.00 H new ATOM 0 HB THR A 111 -5.993 -6.498 -4.669 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.839 -6.878 -6.895 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.995 -4.253 -4.854 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.294 -5.206 -3.524 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.389 -4.996 -5.042 1.00 0.00 H new ATOM 1711 N LEU A 112 -4.793 -8.266 -2.538 1.00 0.00 N ATOM 1712 CA LEU A 112 -4.550 -8.545 -1.128 1.00 0.00 C ATOM 1713 C LEU A 112 -3.708 -9.812 -0.964 1.00 0.00 C ATOM 1714 O LEU A 112 -2.884 -9.888 -0.053 1.00 0.00 O ATOM 1715 CB LEU A 112 -5.924 -8.635 -0.462 1.00 0.00 C ATOM 1716 CG LEU A 112 -6.018 -8.859 1.054 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -5.891 -10.333 1.414 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -5.060 -7.991 1.872 1.00 0.00 C ATOM 0 H LEU A 112 -5.760 -8.428 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.968 -7.758 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.458 -7.712 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.469 -9.446 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.018 -8.528 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.962 -10.451 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.692 -10.895 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.927 -10.710 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.188 -8.208 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.033 -8.207 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.276 -6.938 1.689 1.00 0.00 H new ATOM 1730 N GLY A 113 -3.870 -10.795 -1.850 1.00 0.00 N ATOM 1731 CA GLY A 113 -2.977 -11.934 -1.983 1.00 0.00 C ATOM 1732 C GLY A 113 -1.538 -11.466 -2.187 1.00 0.00 C ATOM 1733 O GLY A 113 -0.670 -11.846 -1.393 1.00 0.00 O ATOM 0 H GLY A 113 -4.648 -10.817 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.039 -12.558 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.288 -12.551 -2.826 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.280 -10.620 -3.192 1.00 0.00 N ATOM 1738 CA VAL A 114 0.044 -10.057 -3.460 1.00 0.00 C ATOM 1739 C VAL A 114 0.557 -9.363 -2.196 1.00 0.00 C ATOM 1740 O VAL A 114 1.677 -9.636 -1.784 1.00 0.00 O ATOM 1741 CB VAL A 114 0.044 -9.120 -4.687 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.462 -8.645 -5.037 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.515 -9.823 -5.929 1.00 0.00 C ATOM 0 H VAL A 114 -1.995 -10.305 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 114 0.727 -10.867 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.583 -8.271 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.422 -7.988 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.883 -8.102 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.089 -9.507 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.501 -9.135 -6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.097 -10.695 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.540 -10.140 -5.737 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.265 -8.545 -1.526 1.00 0.00 N ATOM 1754 CA ALA A 115 0.130 -7.861 -0.297 1.00 0.00 C ATOM 1755 C ALA A 115 0.533 -8.842 0.806 1.00 0.00 C ATOM 1756 O ALA A 115 1.546 -8.649 1.473 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.012 -6.968 0.205 1.00 0.00 C ATOM 0 H ALA A 115 -1.219 -8.342 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 115 1.000 -7.250 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.704 -6.464 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.253 -6.224 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.891 -7.580 0.405 1.00 0.00 H new ATOM 1763 N THR A 116 -0.257 -9.897 1.010 1.00 0.00 N ATOM 1764 CA THR A 116 0.012 -10.895 2.036 1.00 0.00 C ATOM 1765 C THR A 116 1.364 -11.552 1.759 1.00 0.00 C ATOM 1766 O THR A 116 2.174 -11.663 2.679 1.00 0.00 O ATOM 1767 CB THR A 116 -1.124 -11.939 2.082 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.398 -11.329 2.212 1.00 0.00 O ATOM 1769 CG2 THR A 116 -0.981 -12.917 3.252 1.00 0.00 C ATOM 0 H THR A 116 -1.100 -10.080 0.466 1.00 0.00 H new ATOM 0 HA THR A 116 0.053 -10.414 3.013 1.00 0.00 H new ATOM 0 HB THR A 116 -1.045 -12.475 1.136 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.656 -10.924 1.357 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.807 -13.628 3.235 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.037 -13.455 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.997 -12.365 4.192 1.00 0.00 H new ATOM 1777 N CYS A 117 1.612 -11.934 0.498 1.00 0.00 N ATOM 1778 CA CYS A 117 2.908 -12.424 0.069 1.00 0.00 C ATOM 1779 C CYS A 117 3.969 -11.383 0.382 1.00 0.00 C ATOM 1780 O CYS A 117 4.906 -11.718 1.091 1.00 0.00 O ATOM 1781 CB CYS A 117 2.894 -12.820 -1.411 1.00 0.00 C ATOM 1782 SG CYS A 117 4.500 -13.247 -2.140 1.00 0.00 S ATOM 0 H CYS A 117 0.913 -11.908 -0.245 1.00 0.00 H new ATOM 0 HA CYS A 117 3.151 -13.332 0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.225 -13.672 -1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.466 -11.996 -1.982 1.00 0.00 H new ATOM 1787 N PHE A 118 3.822 -10.135 -0.079 1.00 0.00 N ATOM 1788 CA PHE A 118 4.863 -9.129 0.026 1.00 0.00 C ATOM 1789 C PHE A 118 5.373 -9.035 1.468 1.00 0.00 C ATOM 1790 O PHE A 118 6.531 -9.318 1.762 1.00 0.00 O ATOM 1791 CB PHE A 118 4.324 -7.789 -0.512 1.00 0.00 C ATOM 1792 CG PHE A 118 5.271 -6.611 -0.380 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.638 -6.827 -0.178 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.809 -5.292 -0.498 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.539 -5.763 -0.146 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.703 -4.215 -0.424 1.00 0.00 C ATOM 1797 CZ PHE A 118 7.071 -4.447 -0.260 1.00 0.00 C ATOM 0 H PHE A 118 2.972 -9.803 -0.535 1.00 0.00 H new ATOM 0 HA PHE A 118 5.723 -9.407 -0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 118 4.070 -7.914 -1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.399 -7.551 0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.002 -7.835 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.756 -5.105 -0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.596 -5.953 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.333 -3.203 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.763 -3.618 -0.221 1.00 0.00 H new ATOM 1807 N LYS A 119 4.468 -8.704 2.376 1.00 0.00 N ATOM 1808 CA LYS A 119 4.670 -8.650 3.818 1.00 0.00 C ATOM 1809 C LYS A 119 5.451 -9.874 4.298 1.00 0.00 C ATOM 1810 O LYS A 119 6.471 -9.730 4.975 1.00 0.00 O ATOM 1811 CB LYS A 119 3.292 -8.550 4.496 1.00 0.00 C ATOM 1812 CG LYS A 119 3.244 -7.637 5.735 1.00 0.00 C ATOM 1813 CD LYS A 119 4.168 -8.134 6.853 1.00 0.00 C ATOM 1814 CE LYS A 119 4.070 -7.311 8.137 1.00 0.00 C ATOM 1815 NZ LYS A 119 4.910 -7.855 9.227 1.00 0.00 N ATOM 0 H LYS A 119 3.516 -8.451 2.112 1.00 0.00 H new ATOM 0 HA LYS A 119 5.263 -7.775 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.570 -8.185 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.973 -9.551 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.532 -6.625 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.221 -7.585 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.927 -9.173 7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.198 -8.116 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.371 -6.284 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.031 -7.279 8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.807 -7.261 10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.608 -8.826 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.906 -7.862 8.928 1.00 0.00 H new ATOM 1829 N ALA A 120 4.960 -11.068 3.975 1.00 0.00 N ATOM 1830 CA ALA A 120 5.600 -12.323 4.349 1.00 0.00 C ATOM 1831 C ALA A 120 7.027 -12.440 3.790 1.00 0.00 C ATOM 1832 O ALA A 120 7.917 -12.898 4.506 1.00 0.00 O ATOM 1833 CB ALA A 120 4.727 -13.511 3.930 1.00 0.00 C ATOM 0 H ALA A 120 4.099 -11.191 3.442 1.00 0.00 H new ATOM 0 HA ALA A 120 5.698 -12.335 5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.217 -14.442 4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 120 3.759 -13.444 4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.583 -13.494 2.850 1.00 0.00 H new ATOM 1839 N GLU A 121 7.287 -12.012 2.553 1.00 0.00 N ATOM 1840 CA GLU A 121 8.618 -12.024 1.954 1.00 0.00 C ATOM 1841 C GLU A 121 9.562 -11.035 2.634 1.00 0.00 C ATOM 1842 O GLU A 121 10.744 -11.334 2.736 1.00 0.00 O ATOM 1843 CB GLU A 121 8.568 -11.651 0.475 1.00 0.00 C ATOM 1844 CG GLU A 121 7.779 -12.624 -0.407 1.00 0.00 C ATOM 1845 CD GLU A 121 8.297 -14.057 -0.438 1.00 0.00 C ATOM 1846 OE1 GLU A 121 9.469 -14.287 -0.809 1.00 0.00 O ATOM 1847 OE2 GLU A 121 7.507 -14.992 -0.168 1.00 0.00 O ATOM 0 H GLU A 121 6.567 -11.643 1.932 1.00 0.00 H new ATOM 0 HA GLU A 121 8.987 -13.042 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.128 -10.658 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.588 -11.585 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.744 -12.639 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.772 -12.238 -1.426 1.00 0.00 H new ATOM 1854 N ILE A 122 9.101 -9.878 3.124 1.00 0.00 N ATOM 1855 CA ILE A 122 9.938 -8.988 3.938 1.00 0.00 C ATOM 1856 C ILE A 122 10.560 -9.784 5.092 1.00 0.00 C ATOM 1857 O ILE A 122 11.720 -9.567 5.429 1.00 0.00 O ATOM 1858 CB ILE A 122 9.193 -7.724 4.446 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.489 -6.908 3.341 1.00 0.00 C ATOM 1860 CG2 ILE A 122 10.185 -6.793 5.163 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.565 -5.797 3.848 1.00 0.00 C ATOM 0 H ILE A 122 8.152 -9.536 2.971 1.00 0.00 H new ATOM 0 HA ILE A 122 10.729 -8.606 3.293 1.00 0.00 H new ATOM 0 HB ILE A 122 8.417 -8.095 5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.249 -6.463 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.907 -7.590 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 122 9.660 -5.906 5.519 1.00 0.00 H new ATOM 0 HG22 ILE A 122 10.628 -7.317 6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.971 -6.495 4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.117 -5.281 2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.778 -6.231 4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.141 -5.087 4.441 1.00 0.00 H new ATOM 1873 N HIS A 123 9.850 -10.766 5.650 1.00 0.00 N ATOM 1874 CA HIS A 123 10.387 -11.576 6.733 1.00 0.00 C ATOM 1875 C HIS A 123 11.605 -12.411 6.284 1.00 0.00 C ATOM 1876 O HIS A 123 12.460 -12.723 7.111 1.00 0.00 O ATOM 1877 CB HIS A 123 9.255 -12.438 7.324 1.00 0.00 C ATOM 1878 CG HIS A 123 9.239 -12.608 8.827 1.00 0.00 C ATOM 1879 ND1 HIS A 123 8.469 -13.534 9.496 1.00 0.00 N ATOM 1880 CD2 HIS A 123 9.882 -11.848 9.775 1.00 0.00 C ATOM 1881 CE1 HIS A 123 8.646 -13.340 10.813 1.00 0.00 C ATOM 1882 NE2 HIS A 123 9.509 -12.335 11.032 1.00 0.00 N ATOM 0 H HIS A 123 8.903 -11.016 5.367 1.00 0.00 H new ATOM 0 HA HIS A 123 10.766 -10.921 7.518 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.303 -12.002 7.022 1.00 0.00 H new ATOM 0 HB3 HIS A 123 9.310 -13.428 6.871 1.00 0.00 H new ATOM 0 HD2 HIS A 123 10.554 -11.024 9.584 1.00 0.00 H new ATOM 0 HE1 HIS A 123 8.161 -13.913 11.589 1.00 0.00 H new ATOM 0 HE2 HIS A 123 9.830 -11.993 11.938 1.00 0.00 H new ATOM 1890 N LYS A 124 11.740 -12.731 4.987 1.00 0.00 N ATOM 1891 CA LYS A 124 12.914 -13.421 4.444 1.00 0.00 C ATOM 1892 C LYS A 124 14.156 -12.522 4.419 1.00 0.00 C ATOM 1893 O LYS A 124 15.272 -13.050 4.406 1.00 0.00 O ATOM 1894 CB LYS A 124 12.591 -14.078 3.081 1.00 0.00 C ATOM 1895 CG LYS A 124 13.047 -13.233 1.887 1.00 0.00 C ATOM 1896 CD LYS A 124 12.208 -13.367 0.612 1.00 0.00 C ATOM 1897 CE LYS A 124 12.494 -14.643 -0.181 1.00 0.00 C ATOM 1898 NZ LYS A 124 11.731 -15.807 0.300 1.00 0.00 N ATOM 0 H LYS A 124 11.032 -12.516 4.285 1.00 0.00 H new ATOM 0 HA LYS A 124 13.171 -14.235 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 124 13.071 -15.055 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 124 11.516 -14.247 3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.050 -12.185 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 124 14.077 -13.500 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.151 -13.345 0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.394 -12.504 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.259 -14.471 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 124 13.559 -14.867 -0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.005 -16.650 -0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 11.934 -15.963 1.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.714 -15.631 0.175 1.00 0.00 H new ATOM 1912 N LEU A 125 13.970 -11.195 4.344 1.00 0.00 N ATOM 1913 CA LEU A 125 15.061 -10.239 4.226 1.00 0.00 C ATOM 1914 C LEU A 125 15.845 -10.206 5.532 1.00 0.00 C ATOM 1915 O LEU A 125 15.415 -10.703 6.573 1.00 0.00 O ATOM 1916 CB LEU A 125 14.563 -8.820 3.862 1.00 0.00 C ATOM 1917 CG LEU A 125 14.191 -8.622 2.380 1.00 0.00 C ATOM 1918 CD1 LEU A 125 13.374 -7.337 2.201 1.00 0.00 C ATOM 1919 CD2 LEU A 125 15.472 -8.540 1.537 1.00 0.00 C ATOM 0 H LEU A 125 13.047 -10.761 4.364 1.00 0.00 H new ATOM 0 HA LEU A 125 15.707 -10.566 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.691 -8.589 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.338 -8.100 4.126 1.00 0.00 H new ATOM 0 HG LEU A 125 13.589 -9.469 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 125 13.119 -7.212 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.460 -7.402 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.962 -6.482 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 125 15.209 -8.400 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.077 -7.699 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.041 -9.463 1.648 1.00 0.00 H new ATOM 1931 N ASN A 126 17.014 -9.580 5.458 1.00 0.00 N ATOM 1932 CA ASN A 126 17.914 -9.277 6.554 1.00 0.00 C ATOM 1933 C ASN A 126 17.808 -7.798 6.966 1.00 0.00 C ATOM 1934 O ASN A 126 18.663 -7.275 7.687 1.00 0.00 O ATOM 1935 CB ASN A 126 19.323 -9.643 6.082 1.00 0.00 C ATOM 1936 CG ASN A 126 19.734 -8.948 4.811 1.00 0.00 C ATOM 1937 OD1 ASN A 126 19.607 -7.738 4.672 1.00 0.00 O ATOM 1938 ND2 ASN A 126 20.229 -9.687 3.845 1.00 0.00 N ATOM 0 H ASN A 126 17.379 -9.249 4.565 1.00 0.00 H new ATOM 0 HA ASN A 126 17.656 -9.850 7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 126 20.036 -9.395 6.868 1.00 0.00 H new ATOM 0 HB3 ASN A 126 19.377 -10.721 5.930 1.00 0.00 H new ATOM 0 HD21 ASN A 126 20.513 -9.254 2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 126 20.330 -10.694 3.974 1.00 0.00 H new ATOM 1945 N TRP A 127 16.801 -7.081 6.465 1.00 0.00 N ATOM 1946 CA TRP A 127 16.456 -5.731 6.892 1.00 0.00 C ATOM 1947 C TRP A 127 14.936 -5.564 6.914 1.00 0.00 C ATOM 1948 O TRP A 127 14.197 -6.479 6.546 1.00 0.00 O ATOM 1949 CB TRP A 127 17.140 -4.703 5.985 1.00 0.00 C ATOM 1950 CG TRP A 127 16.690 -4.706 4.559 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.969 -5.659 3.640 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.798 -3.759 3.900 1.00 0.00 C ATOM 1953 NE1 TRP A 127 16.328 -5.358 2.459 1.00 0.00 N ATOM 1954 CE2 TRP A 127 15.526 -4.248 2.591 1.00 0.00 C ATOM 1955 CE3 TRP A 127 15.159 -2.561 4.288 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.605 -3.633 1.742 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 14.273 -1.902 3.415 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.983 -2.446 2.152 1.00 0.00 C ATOM 0 H TRP A 127 16.188 -7.436 5.731 1.00 0.00 H new ATOM 0 HA TRP A 127 16.818 -5.561 7.906 1.00 0.00 H new ATOM 0 HB2 TRP A 127 16.972 -3.709 6.399 1.00 0.00 H new ATOM 0 HB3 TRP A 127 18.215 -4.881 6.009 1.00 0.00 H new ATOM 0 HD1 TRP A 127 17.597 -6.522 3.807 1.00 0.00 H new ATOM 0 HE1 TRP A 127 16.434 -5.891 1.596 1.00 0.00 H new ATOM 0 HE3 TRP A 127 15.352 -2.146 5.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.374 -4.067 0.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.813 -0.973 3.718 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.281 -1.950 1.498 1.00 0.00 H new ATOM 1969 N ALA A 128 14.476 -4.400 7.374 1.00 0.00 N ATOM 1970 CA ALA A 128 13.071 -4.116 7.641 1.00 0.00 C ATOM 1971 C ALA A 128 12.725 -2.705 7.152 1.00 0.00 C ATOM 1972 O ALA A 128 13.175 -1.742 7.778 1.00 0.00 O ATOM 1973 CB ALA A 128 12.801 -4.249 9.139 1.00 0.00 C ATOM 0 H ALA A 128 15.089 -3.610 7.576 1.00 0.00 H new ATOM 0 HA ALA A 128 12.444 -4.830 7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 128 11.751 -4.037 9.340 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.034 -5.263 9.462 1.00 0.00 H new ATOM 0 HB3 ALA A 128 13.425 -3.542 9.685 1.00 0.00 H new ATOM 1979 N PRO A 129 11.982 -2.547 6.047 1.00 0.00 N ATOM 1980 CA PRO A 129 11.540 -1.238 5.590 1.00 0.00 C ATOM 1981 C PRO A 129 10.574 -0.627 6.604 1.00 0.00 C ATOM 1982 O PRO A 129 9.872 -1.351 7.321 1.00 0.00 O ATOM 1983 CB PRO A 129 10.830 -1.466 4.247 1.00 0.00 C ATOM 1984 CG PRO A 129 10.927 -2.968 3.967 1.00 0.00 C ATOM 1985 CD PRO A 129 11.360 -3.601 5.275 1.00 0.00 C ATOM 0 HA PRO A 129 12.379 -0.551 5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.790 -1.145 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.304 -0.890 3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 129 9.968 -3.368 3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.647 -3.173 3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.506 -4.020 5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 129 12.059 -4.419 5.099 1.00 0.00 H new ATOM 1993 N SER A 130 10.411 0.695 6.573 1.00 0.00 N ATOM 1994 CA SER A 130 9.266 1.335 7.208 1.00 0.00 C ATOM 1995 C SER A 130 7.988 0.846 6.517 1.00 0.00 C ATOM 1996 O SER A 130 8.032 0.424 5.354 1.00 0.00 O ATOM 1997 CB SER A 130 9.382 2.856 7.080 1.00 0.00 C ATOM 1998 OG SER A 130 10.718 3.307 7.229 1.00 0.00 O ATOM 0 H SER A 130 11.056 1.339 6.116 1.00 0.00 H new ATOM 0 HA SER A 130 9.236 1.078 8.267 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.002 3.167 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.754 3.331 7.834 1.00 0.00 H new ATOM 0 HG SER A 130 10.727 4.284 7.298 1.00 0.00 H new ATOM 2004 N MET A 131 6.830 0.917 7.175 1.00 0.00 N ATOM 2005 CA MET A 131 5.586 0.607 6.488 1.00 0.00 C ATOM 2006 C MET A 131 5.338 1.604 5.375 1.00 0.00 C ATOM 2007 O MET A 131 5.039 1.194 4.263 1.00 0.00 O ATOM 2008 CB MET A 131 4.403 0.647 7.437 1.00 0.00 C ATOM 2009 CG MET A 131 4.446 -0.511 8.431 1.00 0.00 C ATOM 2010 SD MET A 131 4.993 -0.041 10.087 1.00 0.00 S ATOM 2011 CE MET A 131 3.536 0.919 10.557 1.00 0.00 C ATOM 0 H MET A 131 6.732 1.179 8.156 1.00 0.00 H new ATOM 0 HA MET A 131 5.685 -0.399 6.081 1.00 0.00 H new ATOM 0 HB2 MET A 131 4.401 1.593 7.978 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.475 0.604 6.866 1.00 0.00 H new ATOM 0 HG2 MET A 131 3.452 -0.954 8.500 1.00 0.00 H new ATOM 0 HG3 MET A 131 5.112 -1.282 8.045 1.00 0.00 H new ATOM 0 HE1 MET A 131 3.444 0.932 11.643 1.00 0.00 H new ATOM 0 HE2 MET A 131 3.639 1.940 10.189 1.00 0.00 H new ATOM 0 HE3 MET A 131 2.645 0.465 10.123 1.00 0.00 H new ATOM 2021 N ASP A 132 5.481 2.899 5.658 1.00 0.00 N ATOM 2022 CA ASP A 132 5.151 3.924 4.676 1.00 0.00 C ATOM 2023 C ASP A 132 6.002 3.771 3.427 1.00 0.00 C ATOM 2024 O ASP A 132 5.485 4.050 2.357 1.00 0.00 O ATOM 2025 CB ASP A 132 5.219 5.338 5.270 1.00 0.00 C ATOM 2026 CG ASP A 132 3.971 5.620 6.122 1.00 0.00 C ATOM 2027 OD1 ASP A 132 3.658 4.797 7.020 1.00 0.00 O ATOM 2028 OD2 ASP A 132 3.268 6.621 5.884 1.00 0.00 O ATOM 0 H ASP A 132 5.820 3.258 6.551 1.00 0.00 H new ATOM 0 HA ASP A 132 4.113 3.778 4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 132 6.116 5.440 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 132 5.294 6.073 4.469 1.00 0.00 H new ATOM 2033 N VAL A 133 7.231 3.244 3.540 1.00 0.00 N ATOM 2034 CA VAL A 133 7.987 2.739 2.400 1.00 0.00 C ATOM 2035 C VAL A 133 7.215 1.579 1.778 1.00 0.00 C ATOM 2036 O VAL A 133 6.581 1.793 0.756 1.00 0.00 O ATOM 2037 CB VAL A 133 9.430 2.354 2.787 1.00 0.00 C ATOM 2038 CG1 VAL A 133 10.209 1.768 1.608 1.00 0.00 C ATOM 2039 CG2 VAL A 133 10.194 3.580 3.280 1.00 0.00 C ATOM 0 H VAL A 133 7.723 3.159 4.429 1.00 0.00 H new ATOM 0 HA VAL A 133 8.093 3.529 1.656 1.00 0.00 H new ATOM 0 HB VAL A 133 9.346 1.602 3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 133 11.219 1.513 1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.705 0.871 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 133 10.259 2.502 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 133 11.210 3.292 3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 133 10.227 4.330 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.691 3.995 4.154 1.00 0.00 H new ATOM 2049 N ALA A 134 7.221 0.382 2.382 1.00 0.00 N ATOM 2050 CA ALA A 134 6.761 -0.847 1.731 1.00 0.00 C ATOM 2051 C ALA A 134 5.355 -0.685 1.147 1.00 0.00 C ATOM 2052 O ALA A 134 5.143 -0.930 -0.035 1.00 0.00 O ATOM 2053 CB ALA A 134 6.813 -2.009 2.729 1.00 0.00 C ATOM 0 H ALA A 134 7.546 0.242 3.338 1.00 0.00 H new ATOM 0 HA ALA A 134 7.427 -1.065 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.470 -2.922 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.837 -2.145 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.168 -1.787 3.580 1.00 0.00 H new ATOM 2059 N VAL A 135 4.394 -0.247 1.960 1.00 0.00 N ATOM 2060 CA VAL A 135 3.019 -0.044 1.526 1.00 0.00 C ATOM 2061 C VAL A 135 2.949 1.071 0.471 1.00 0.00 C ATOM 2062 O VAL A 135 2.134 0.978 -0.441 1.00 0.00 O ATOM 2063 CB VAL A 135 2.091 0.215 2.733 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.617 0.022 2.337 1.00 0.00 C ATOM 2065 CG2 VAL A 135 2.357 -0.758 3.895 1.00 0.00 C ATOM 0 H VAL A 135 4.552 -0.023 2.942 1.00 0.00 H new ATOM 0 HA VAL A 135 2.659 -0.956 1.050 1.00 0.00 H new ATOM 0 HB VAL A 135 2.295 1.239 3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.020 0.209 3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.360 0.719 1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.465 -1.000 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.679 -0.535 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 135 2.193 -1.781 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 135 3.387 -0.648 4.233 1.00 0.00 H new ATOM 2075 N GLY A 136 3.798 2.096 0.565 1.00 0.00 N ATOM 2076 CA GLY A 136 3.959 3.119 -0.452 1.00 0.00 C ATOM 2077 C GLY A 136 4.355 2.522 -1.800 1.00 0.00 C ATOM 2078 O GLY A 136 3.731 2.860 -2.808 1.00 0.00 O ATOM 0 H GLY A 136 4.405 2.235 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 136 3.027 3.674 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.719 3.832 -0.133 1.00 0.00 H new ATOM 2082 N GLU A 137 5.380 1.664 -1.803 1.00 0.00 N ATOM 2083 CA GLU A 137 6.024 1.116 -2.988 1.00 0.00 C ATOM 2084 C GLU A 137 5.043 0.191 -3.700 1.00 0.00 C ATOM 2085 O GLU A 137 4.721 0.426 -4.859 1.00 0.00 O ATOM 2086 CB GLU A 137 7.345 0.398 -2.641 1.00 0.00 C ATOM 2087 CG GLU A 137 8.361 1.295 -1.903 1.00 0.00 C ATOM 2088 CD GLU A 137 9.834 1.064 -2.255 1.00 0.00 C ATOM 2089 OE1 GLU A 137 10.188 1.273 -3.434 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.623 0.834 -1.308 1.00 0.00 O ATOM 0 H GLU A 137 5.798 1.321 -0.938 1.00 0.00 H new ATOM 0 HA GLU A 137 6.293 1.932 -3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.124 -0.472 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.800 0.028 -3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.116 2.336 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.236 1.147 -0.830 1.00 0.00 H new ATOM 2097 N ILE A 138 4.464 -0.792 -2.999 1.00 0.00 N ATOM 2098 CA ILE A 138 3.603 -1.770 -3.670 1.00 0.00 C ATOM 2099 C ILE A 138 2.393 -1.102 -4.342 1.00 0.00 C ATOM 2100 O ILE A 138 1.901 -1.588 -5.355 1.00 0.00 O ATOM 2101 CB ILE A 138 3.191 -2.930 -2.731 1.00 0.00 C ATOM 2102 CG1 ILE A 138 2.374 -4.002 -3.490 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.408 -2.431 -1.501 1.00 0.00 C ATOM 2104 CD1 ILE A 138 2.214 -5.361 -2.790 1.00 0.00 C ATOM 0 H ILE A 138 4.572 -0.929 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 138 4.196 -2.219 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 138 4.114 -3.385 -2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.380 -3.599 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.846 -4.170 -4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.140 -3.280 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 138 3.028 -1.738 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.502 -1.922 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.623 -6.027 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 138 3.197 -5.800 -2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.708 -5.221 -1.835 1.00 0.00 H new ATOM 2116 N LEU A 139 1.884 0.010 -3.807 1.00 0.00 N ATOM 2117 CA LEU A 139 0.831 0.786 -4.457 1.00 0.00 C ATOM 2118 C LEU A 139 1.362 1.522 -5.678 1.00 0.00 C ATOM 2119 O LEU A 139 0.688 1.620 -6.690 1.00 0.00 O ATOM 2120 CB LEU A 139 0.320 1.845 -3.495 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.437 1.308 -2.267 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.765 2.434 -1.285 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.734 0.613 -2.648 1.00 0.00 C ATOM 0 H LEU A 139 2.190 0.395 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 139 0.045 0.090 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.167 2.437 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.339 2.520 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 139 0.228 0.583 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.300 2.025 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.159 2.902 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.389 3.178 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.231 0.252 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.386 1.317 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.516 -0.229 -3.305 1.00 0.00 H new ATOM 2135 N ALA A 140 2.559 2.077 -5.602 1.00 0.00 N ATOM 2136 CA ALA A 140 3.244 2.539 -6.801 1.00 0.00 C ATOM 2137 C ALA A 140 3.379 1.445 -7.876 1.00 0.00 C ATOM 2138 O ALA A 140 3.652 1.800 -9.018 1.00 0.00 O ATOM 2139 CB ALA A 140 4.593 3.186 -6.466 1.00 0.00 C ATOM 0 H ALA A 140 3.074 2.219 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 140 2.611 3.311 -7.239 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.075 3.519 -7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.433 4.042 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.231 2.458 -5.964 1.00 0.00 H new ATOM 2145 N GLU A 141 3.158 0.160 -7.599 1.00 0.00 N ATOM 2146 CA GLU A 141 3.470 -0.939 -8.503 1.00 0.00 C ATOM 2147 C GLU A 141 2.212 -1.668 -9.005 1.00 0.00 C ATOM 2148 O GLU A 141 1.932 -1.662 -10.208 1.00 0.00 O ATOM 2149 CB GLU A 141 4.435 -1.873 -7.760 1.00 0.00 C ATOM 2150 CG GLU A 141 5.833 -1.252 -7.645 1.00 0.00 C ATOM 2151 CD GLU A 141 6.720 -1.997 -6.655 1.00 0.00 C ATOM 2152 OE1 GLU A 141 7.251 -3.054 -7.038 1.00 0.00 O ATOM 2153 OE2 GLU A 141 6.912 -1.487 -5.527 1.00 0.00 O ATOM 0 H GLU A 141 2.747 -0.149 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 141 3.940 -0.557 -9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 141 4.046 -2.084 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.500 -2.826 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.309 -1.251 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.741 -0.211 -7.334 1.00 0.00 H new ATOM 2160 N VAL A 142 1.490 -2.329 -8.097 1.00 0.00 N ATOM 2161 CA VAL A 142 0.534 -3.412 -8.339 1.00 0.00 C ATOM 2162 C VAL A 142 -0.541 -3.047 -9.349 1.00 0.00 C ATOM 2163 O VAL A 142 -0.636 -3.734 -10.395 1.00 0.00 O ATOM 2164 CB VAL A 142 0.020 -3.911 -6.964 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.434 -4.387 -6.892 1.00 0.00 C ATOM 2166 CG2 VAL A 142 0.935 -5.056 -6.510 1.00 0.00 C ATOM 0 H VAL A 142 1.563 -2.106 -7.104 1.00 0.00 H new ATOM 0 HA VAL A 142 1.026 -4.250 -8.833 1.00 0.00 H new ATOM 0 HB VAL A 142 0.046 -3.035 -6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.662 -4.708 -5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.099 -3.570 -7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.578 -5.223 -7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.598 -5.429 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.900 -5.862 -7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.958 -4.691 -6.422 1.00 0.00 H new TER 2176 VAL A 142