USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1190 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 ASN : amide:sc= -6.49! C(o=-12!,f=-18!) USER MOD Set 1.2: A 94 SER OG : rot 84:sc= -2.84! USER MOD Set 1.3: A 101 TYR OH : rot -119:sc= 1.2 USER MOD Set 1.4: A 139 HIS : no HE2:sc= -3.69! C(o=-12!,f=-13!) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -0.979 K(o=-10,f=-9.5) USER MOD Set 2.2: A 32 TYR OH : rot 58:sc= 1.28 USER MOD Set 2.3: A 75 CYS SG : rot 98:sc= -5.33! USER MOD Set 2.4: A 129 HIS : no HD1:sc= -6.95! C(o=-10!,f=-10!) USER MOD Set 2.5: A 133 SER OG : rot -91:sc= 1.4 USER MOD Set 2.6: A 137 CYS SG : rot 124:sc= 0.435 USER MOD Set 3.1: A 16 LYS NZ :NH3+ -175:sc= 1.65 (180deg=1.26) USER MOD Set 3.2: A 47 ASN : amide:sc= -2.92! C(o=-1.7!,f=-9.3!) USER MOD Set 3.3: A 52 SER OG : rot 91:sc= -0.474 USER MOD Set 4.1: A 27 THR OG1 : rot 115:sc= 1.17 USER MOD Set 4.2: A 86 SER OG : rot -33:sc= 1.29 USER MOD Set 5.1: A 21 MET CE :methyl -172:sc= -0.349 (180deg=-0.461) USER MOD Set 5.2: A 85 GLN : amide:sc= -0.849 K(o=-1.2,f=-2.3!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= -0.0103 (180deg=-0.201) USER MOD Single : A 6 LYS NZ :NH3+ -110:sc= -1.44 (180deg=-3.79!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 3:sc= -0.0101 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.0546 (180deg=-0.332) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -80:sc= 0.627 USER MOD Single : A 33 ASN : amide:sc= -3.25! K(o=-3.2!,f=0) USER MOD Single : A 39 ASN : amide:sc= -3.14! C(o=-3.1!,f=-5.4!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 172:sc= -2.24! (180deg=-2.36) USER MOD Single : A 46 SER OG : rot 107:sc= 1.15 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-9.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.15) USER MOD Single : A 64 GLN : amide:sc= -1.11! K(o=-1.1!,f=-1.9) USER MOD Single : A 71 ASN : amide:sc= 0.444 K(o=0.44,f=-1.7!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 83 ASN : amide:sc= -0.13 K(o=-0.13,f=-8.7!) USER MOD Single : A 88 SER OG : rot 131:sc= -0.0865 USER MOD Single : A 92 CYS SG : rot 100:sc= -2.91! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0.146 USER MOD Single : A 103 LYS NZ :NH3+ -161:sc= 0.736 (180deg=-0.358) USER MOD Single : A 107 ASN : amide:sc= 0.591 K(o=0.59,f=-0.72) USER MOD Single : A 114 GLN : amide:sc= -2.24! K(o=-2.2!,f=0) USER MOD Single : A 116 MET CE :methyl -179:sc= -2.52 (180deg=-2.52) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -134:sc= -0.489 (180deg=-0.863) USER MOD Single : A 119 TYR OH : rot 180:sc= -0.0375 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0.0075) USER MOD Single : A 125 ASN : amide:sc= 0.476 K(o=0.48,f=-1) USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 130 GLN : amide:sc= -3.06! K(o=-3.1!,f=-1.3) USER MOD Single : A 131 SER OG : rot -130:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 TYR OH : rot -103:sc= -0.947 USER MOD Single : A 141 MET CE :methyl -153:sc= -1.33 (180deg=-3.1) USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 153 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.22) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= -0.224 K(o=-0.22,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 35 N ILE A 3 9.937 8.891 0.308 1.00 2.15 N ATOM 36 CA ILE A 3 8.754 8.883 -0.521 1.00 40.52 C ATOM 37 C ILE A 3 8.831 9.997 -1.579 1.00 22.41 C ATOM 38 O ILE A 3 9.208 11.127 -1.270 1.00 24.13 O ATOM 39 CB ILE A 3 7.487 9.072 0.355 1.00 74.34 C ATOM 40 CG1 ILE A 3 7.426 7.975 1.430 1.00 34.24 C ATOM 41 CG2 ILE A 3 6.224 9.045 -0.503 1.00 55.42 C ATOM 42 CD1 ILE A 3 6.277 8.128 2.397 1.00 63.43 C ATOM 0 HA ILE A 3 8.695 7.921 -1.030 1.00 40.52 H new ATOM 0 HB ILE A 3 7.544 10.045 0.842 1.00 74.34 H new ATOM 0 HG12 ILE A 3 7.349 7.004 0.940 1.00 34.24 H new ATOM 0 HG13 ILE A 3 8.361 7.976 1.990 1.00 34.24 H new ATOM 0 HG21 ILE A 3 5.349 9.179 0.133 1.00 55.42 H new ATOM 0 HG22 ILE A 3 6.266 9.849 -1.237 1.00 55.42 H new ATOM 0 HG23 ILE A 3 6.154 8.087 -1.018 1.00 55.42 H new ATOM 0 HD11 ILE A 3 6.303 7.316 3.124 1.00 63.43 H new ATOM 0 HD12 ILE A 3 6.363 9.083 2.916 1.00 63.43 H new ATOM 0 HD13 ILE A 3 5.335 8.096 1.850 1.00 63.43 H new ATOM 54 N GLN A 4 8.476 9.671 -2.801 1.00 34.32 N ATOM 55 CA GLN A 4 8.446 10.615 -3.893 1.00 40.31 C ATOM 56 C GLN A 4 7.070 11.218 -3.895 1.00 44.22 C ATOM 57 O GLN A 4 6.075 10.505 -3.673 1.00 4.30 O ATOM 58 CB GLN A 4 8.591 9.872 -5.195 1.00 24.43 C ATOM 59 CG GLN A 4 8.772 10.715 -6.451 1.00 14.45 C ATOM 60 CD GLN A 4 10.171 11.217 -6.625 1.00 62.23 C ATOM 61 OE1 GLN A 4 10.530 12.294 -6.165 1.00 22.25 O ATOM 62 NE2 GLN A 4 10.977 10.416 -7.292 1.00 43.11 N ATOM 0 H GLN A 4 8.196 8.727 -3.068 1.00 34.32 H new ATOM 0 HA GLN A 4 9.239 11.355 -3.784 1.00 40.31 H new ATOM 0 HB2 GLN A 4 9.446 9.201 -5.110 1.00 24.43 H new ATOM 0 HB3 GLN A 4 7.708 9.247 -5.330 1.00 24.43 H new ATOM 0 HG2 GLN A 4 8.494 10.122 -7.322 1.00 14.45 H new ATOM 0 HG3 GLN A 4 8.090 11.564 -6.413 1.00 14.45 H new ATOM 0 HE21 GLN A 4 10.629 9.529 -7.655 1.00 43.11 H new ATOM 0 HE22 GLN A 4 11.949 10.683 -7.445 1.00 43.11 H new ATOM 71 N LYS A 5 6.984 12.462 -4.138 1.00 64.33 N ATOM 72 CA LYS A 5 5.732 13.112 -4.172 1.00 75.32 C ATOM 73 C LYS A 5 5.315 13.518 -5.547 1.00 23.43 C ATOM 74 O LYS A 5 5.863 14.448 -6.141 1.00 35.43 O ATOM 75 CB LYS A 5 5.657 14.264 -3.183 1.00 61.53 C ATOM 76 CG LYS A 5 5.500 13.823 -1.737 1.00 32.32 C ATOM 77 CD LYS A 5 4.186 13.066 -1.552 1.00 73.41 C ATOM 78 CE LYS A 5 3.966 12.633 -0.121 1.00 41.35 C ATOM 79 NZ LYS A 5 3.946 13.773 0.816 1.00 61.31 N ATOM 0 H LYS A 5 7.784 13.068 -4.321 1.00 64.33 H new ATOM 0 HA LYS A 5 5.002 12.369 -3.850 1.00 75.32 H new ATOM 0 HB2 LYS A 5 6.561 14.867 -3.273 1.00 61.53 H new ATOM 0 HB3 LYS A 5 4.818 14.906 -3.450 1.00 61.53 H new ATOM 0 HG2 LYS A 5 6.337 13.186 -1.451 1.00 32.32 H new ATOM 0 HG3 LYS A 5 5.522 14.693 -1.080 1.00 32.32 H new ATOM 0 HD2 LYS A 5 3.357 13.700 -1.868 1.00 73.41 H new ATOM 0 HD3 LYS A 5 4.181 12.189 -2.199 1.00 73.41 H new ATOM 0 HE2 LYS A 5 3.023 12.091 -0.049 1.00 41.35 H new ATOM 0 HE3 LYS A 5 4.755 11.940 0.171 1.00 41.35 H new ATOM 0 HZ1 LYS A 5 3.610 13.452 1.746 1.00 61.31 H new ATOM 0 HZ2 LYS A 5 4.906 14.162 0.910 1.00 61.31 H new ATOM 0 HZ3 LYS A 5 3.308 14.510 0.453 1.00 61.31 H new ATOM 93 N LYS A 6 4.365 12.791 -6.054 1.00 74.51 N ATOM 94 CA LYS A 6 3.709 13.101 -7.279 1.00 73.13 C ATOM 95 C LYS A 6 2.304 12.575 -7.225 1.00 23.53 C ATOM 96 O LYS A 6 1.936 11.616 -7.907 1.00 52.01 O ATOM 97 CB LYS A 6 4.463 12.655 -8.554 1.00 1.13 C ATOM 98 CG LYS A 6 4.804 11.186 -8.629 1.00 42.15 C ATOM 99 CD LYS A 6 5.509 10.795 -9.939 1.00 5.30 C ATOM 100 CE LYS A 6 4.641 10.997 -11.200 1.00 62.11 C ATOM 101 NZ LYS A 6 4.460 12.424 -11.619 1.00 35.34 N ATOM 0 H LYS A 6 4.018 11.941 -5.610 1.00 74.51 H new ATOM 0 HA LYS A 6 3.693 14.187 -7.371 1.00 73.13 H new ATOM 0 HB2 LYS A 6 3.857 12.914 -9.422 1.00 1.13 H new ATOM 0 HB3 LYS A 6 5.387 13.229 -8.628 1.00 1.13 H new ATOM 0 HG2 LYS A 6 5.445 10.925 -7.787 1.00 42.15 H new ATOM 0 HG3 LYS A 6 3.890 10.601 -8.527 1.00 42.15 H new ATOM 0 HD2 LYS A 6 6.421 11.384 -10.039 1.00 5.30 H new ATOM 0 HD3 LYS A 6 5.810 9.749 -9.880 1.00 5.30 H new ATOM 0 HE2 LYS A 6 5.091 10.445 -12.025 1.00 62.11 H new ATOM 0 HE3 LYS A 6 3.659 10.559 -11.022 1.00 62.11 H new ATOM 0 HZ1 LYS A 6 3.476 12.714 -11.447 1.00 35.34 H new ATOM 0 HZ2 LYS A 6 5.101 13.031 -11.070 1.00 35.34 H new ATOM 0 HZ3 LYS A 6 4.676 12.519 -12.632 1.00 35.34 H new ATOM 115 N LEU A 7 1.565 13.145 -6.310 1.00 3.24 N ATOM 116 CA LEU A 7 0.190 12.833 -6.113 1.00 21.53 C ATOM 117 C LEU A 7 -0.628 13.111 -7.384 1.00 13.40 C ATOM 118 O LEU A 7 -0.155 13.770 -8.323 1.00 21.45 O ATOM 119 CB LEU A 7 -0.360 13.587 -4.886 1.00 2.25 C ATOM 120 CG LEU A 7 0.381 13.329 -3.539 1.00 22.10 C ATOM 121 CD1 LEU A 7 -0.225 14.150 -2.422 1.00 52.12 C ATOM 122 CD2 LEU A 7 0.369 11.848 -3.154 1.00 70.33 C ATOM 0 H LEU A 7 1.919 13.855 -5.670 1.00 3.24 H new ATOM 0 HA LEU A 7 0.098 11.766 -5.910 1.00 21.53 H new ATOM 0 HB2 LEU A 7 -0.328 14.656 -5.097 1.00 2.25 H new ATOM 0 HB3 LEU A 7 -1.409 13.318 -4.759 1.00 2.25 H new ATOM 0 HG LEU A 7 1.417 13.633 -3.686 1.00 22.10 H new ATOM 0 HD11 LEU A 7 0.310 13.952 -1.493 1.00 52.12 H new ATOM 0 HD12 LEU A 7 -0.148 15.210 -2.666 1.00 52.12 H new ATOM 0 HD13 LEU A 7 -1.274 13.881 -2.301 1.00 52.12 H new ATOM 0 HD21 LEU A 7 0.896 11.713 -2.209 1.00 70.33 H new ATOM 0 HD22 LEU A 7 -0.661 11.508 -3.046 1.00 70.33 H new ATOM 0 HD23 LEU A 7 0.864 11.266 -3.932 1.00 70.33 H new ATOM 134 N VAL A 8 -1.837 12.637 -7.387 1.00 24.21 N ATOM 135 CA VAL A 8 -2.697 12.679 -8.544 1.00 45.00 C ATOM 136 C VAL A 8 -3.157 14.112 -8.875 1.00 50.12 C ATOM 137 O VAL A 8 -3.232 14.984 -7.988 1.00 0.50 O ATOM 138 CB VAL A 8 -3.920 11.754 -8.306 1.00 63.20 C ATOM 139 CG1 VAL A 8 -4.749 12.232 -7.149 1.00 20.25 C ATOM 140 CG2 VAL A 8 -4.764 11.641 -9.519 1.00 14.40 C ATOM 0 H VAL A 8 -2.267 12.200 -6.572 1.00 24.21 H new ATOM 0 HA VAL A 8 -2.128 12.325 -9.404 1.00 45.00 H new ATOM 0 HB VAL A 8 -3.527 10.766 -8.069 1.00 63.20 H new ATOM 0 HG11 VAL A 8 -5.598 11.563 -7.008 1.00 20.25 H new ATOM 0 HG12 VAL A 8 -4.141 12.241 -6.245 1.00 20.25 H new ATOM 0 HG13 VAL A 8 -5.111 13.240 -7.353 1.00 20.25 H new ATOM 0 HG21 VAL A 8 -5.610 10.985 -9.314 1.00 14.40 H new ATOM 0 HG22 VAL A 8 -5.130 12.628 -9.801 1.00 14.40 H new ATOM 0 HG23 VAL A 8 -4.173 11.226 -10.336 1.00 14.40 H new ATOM 150 N ASP A 9 -3.451 14.343 -10.156 1.00 33.40 N ATOM 151 CA ASP A 9 -3.820 15.645 -10.642 1.00 23.50 C ATOM 152 C ASP A 9 -5.247 15.969 -10.219 1.00 62.34 C ATOM 153 O ASP A 9 -6.080 15.064 -10.142 1.00 61.53 O ATOM 154 CB ASP A 9 -3.687 15.671 -12.174 1.00 24.14 C ATOM 155 CG ASP A 9 -4.091 16.986 -12.783 1.00 64.31 C ATOM 156 OD1 ASP A 9 -5.279 17.154 -13.109 1.00 52.11 O ATOM 157 OD2 ASP A 9 -3.226 17.869 -12.947 1.00 55.32 O ATOM 0 H ASP A 9 -3.436 13.621 -10.876 1.00 33.40 H new ATOM 0 HA ASP A 9 -3.157 16.399 -10.217 1.00 23.50 H new ATOM 0 HB2 ASP A 9 -2.654 15.454 -12.446 1.00 24.14 H new ATOM 0 HB3 ASP A 9 -4.302 14.877 -12.599 1.00 24.14 H new ATOM 162 N PRO A 10 -5.534 17.258 -9.898 1.00 30.24 N ATOM 163 CA PRO A 10 -6.875 17.747 -9.520 1.00 54.14 C ATOM 164 C PRO A 10 -8.034 17.186 -10.357 1.00 12.12 C ATOM 165 O PRO A 10 -9.142 16.979 -9.847 1.00 71.21 O ATOM 166 CB PRO A 10 -6.756 19.249 -9.728 1.00 42.10 C ATOM 167 CG PRO A 10 -5.346 19.548 -9.384 1.00 21.23 C ATOM 168 CD PRO A 10 -4.540 18.354 -9.822 1.00 64.50 C ATOM 0 HA PRO A 10 -7.125 17.433 -8.507 1.00 54.14 H new ATOM 0 HB2 PRO A 10 -6.984 19.529 -10.757 1.00 42.10 H new ATOM 0 HB3 PRO A 10 -7.448 19.797 -9.088 1.00 42.10 H new ATOM 0 HG2 PRO A 10 -5.006 20.452 -9.889 1.00 21.23 H new ATOM 0 HG3 PRO A 10 -5.235 19.720 -8.313 1.00 21.23 H new ATOM 0 HD2 PRO A 10 -4.062 18.527 -10.786 1.00 64.50 H new ATOM 0 HD3 PRO A 10 -3.747 18.125 -9.110 1.00 64.50 H new ATOM 176 N SER A 11 -7.769 16.893 -11.599 1.00 14.55 N ATOM 177 CA SER A 11 -8.808 16.447 -12.500 1.00 12.21 C ATOM 178 C SER A 11 -9.145 14.975 -12.244 1.00 1.42 C ATOM 179 O SER A 11 -10.238 14.504 -12.566 1.00 32.32 O ATOM 180 CB SER A 11 -8.362 16.656 -13.956 1.00 3.24 C ATOM 181 OG SER A 11 -9.386 16.316 -14.879 1.00 54.31 O ATOM 0 H SER A 11 -6.841 16.954 -12.017 1.00 14.55 H new ATOM 0 HA SER A 11 -9.707 17.036 -12.321 1.00 12.21 H new ATOM 0 HB2 SER A 11 -8.074 17.697 -14.101 1.00 3.24 H new ATOM 0 HB3 SER A 11 -7.478 16.050 -14.155 1.00 3.24 H new ATOM 0 HG SER A 11 -9.065 16.464 -15.793 1.00 54.31 H new ATOM 187 N LYS A 12 -8.219 14.258 -11.642 1.00 63.25 N ATOM 188 CA LYS A 12 -8.377 12.831 -11.455 1.00 63.23 C ATOM 189 C LYS A 12 -8.777 12.517 -10.029 1.00 20.52 C ATOM 190 O LYS A 12 -8.998 11.339 -9.692 1.00 4.42 O ATOM 191 CB LYS A 12 -7.068 12.108 -11.741 1.00 64.12 C ATOM 192 CG LYS A 12 -6.291 12.635 -12.923 1.00 71.12 C ATOM 193 CD LYS A 12 -7.096 12.605 -14.172 1.00 42.11 C ATOM 194 CE LYS A 12 -7.374 11.187 -14.648 1.00 11.20 C ATOM 195 NZ LYS A 12 -8.163 11.178 -15.904 1.00 62.14 N ATOM 0 H LYS A 12 -7.348 14.641 -11.274 1.00 63.25 H new ATOM 0 HA LYS A 12 -9.153 12.497 -12.143 1.00 63.23 H new ATOM 0 HB2 LYS A 12 -6.436 12.168 -10.855 1.00 64.12 H new ATOM 0 HB3 LYS A 12 -7.283 11.053 -11.908 1.00 64.12 H new ATOM 0 HG2 LYS A 12 -5.972 13.657 -12.721 1.00 71.12 H new ATOM 0 HG3 LYS A 12 -5.388 12.040 -13.059 1.00 71.12 H new ATOM 0 HD2 LYS A 12 -8.041 13.121 -14.004 1.00 42.11 H new ATOM 0 HD3 LYS A 12 -6.569 13.151 -14.954 1.00 42.11 H new ATOM 0 HE2 LYS A 12 -6.431 10.664 -14.806 1.00 11.20 H new ATOM 0 HE3 LYS A 12 -7.915 10.642 -13.874 1.00 11.20 H new ATOM 0 HZ1 LYS A 12 -8.334 10.196 -16.199 1.00 62.14 H new ATOM 0 HZ2 LYS A 12 -9.073 11.655 -15.746 1.00 62.14 H new ATOM 0 HZ3 LYS A 12 -7.636 11.677 -16.649 1.00 62.14 H new ATOM 209 N TYR A 13 -8.889 13.558 -9.181 1.00 60.43 N ATOM 210 CA TYR A 13 -9.132 13.348 -7.772 1.00 21.34 C ATOM 211 C TYR A 13 -10.331 12.530 -7.492 1.00 25.01 C ATOM 212 O TYR A 13 -10.264 11.670 -6.679 1.00 31.14 O ATOM 213 CB TYR A 13 -9.231 14.640 -6.964 1.00 44.44 C ATOM 214 CG TYR A 13 -7.928 15.279 -6.570 1.00 62.44 C ATOM 215 CD1 TYR A 13 -6.892 14.518 -6.071 1.00 3.24 C ATOM 216 CD2 TYR A 13 -7.740 16.639 -6.681 1.00 10.32 C ATOM 217 CE1 TYR A 13 -5.696 15.094 -5.695 1.00 30.41 C ATOM 218 CE2 TYR A 13 -6.545 17.226 -6.308 1.00 50.53 C ATOM 219 CZ TYR A 13 -5.530 16.444 -5.816 1.00 1.05 C ATOM 220 OH TYR A 13 -4.330 17.018 -5.458 1.00 53.00 O ATOM 0 H TYR A 13 -8.813 14.536 -9.459 1.00 60.43 H new ATOM 0 HA TYR A 13 -8.246 12.800 -7.451 1.00 21.34 H new ATOM 0 HB2 TYR A 13 -9.806 15.363 -7.543 1.00 44.44 H new ATOM 0 HB3 TYR A 13 -9.799 14.434 -6.057 1.00 44.44 H new ATOM 0 HD1 TYR A 13 -7.019 13.450 -5.973 1.00 3.24 H new ATOM 0 HD2 TYR A 13 -8.538 17.256 -7.065 1.00 10.32 H new ATOM 0 HE1 TYR A 13 -4.896 14.481 -5.307 1.00 30.41 H new ATOM 0 HE2 TYR A 13 -6.411 18.293 -6.403 1.00 50.53 H new ATOM 0 HH TYR A 13 -4.374 17.986 -5.605 1.00 53.00 H new ATOM 230 N GLY A 14 -11.389 12.713 -8.222 1.00 23.41 N ATOM 231 CA GLY A 14 -12.592 11.997 -7.843 1.00 30.34 C ATOM 232 C GLY A 14 -12.793 10.740 -8.605 1.00 22.20 C ATOM 233 O GLY A 14 -13.874 10.166 -8.612 1.00 64.33 O ATOM 0 H GLY A 14 -11.458 13.315 -9.042 1.00 23.41 H new ATOM 0 HA2 GLY A 14 -12.548 11.765 -6.779 1.00 30.34 H new ATOM 0 HA3 GLY A 14 -13.455 12.646 -7.993 1.00 30.34 H new ATOM 237 N THR A 15 -11.765 10.308 -9.239 1.00 30.41 N ATOM 238 CA THR A 15 -11.780 9.065 -9.921 1.00 44.53 C ATOM 239 C THR A 15 -10.916 8.108 -9.118 1.00 51.35 C ATOM 240 O THR A 15 -11.215 6.925 -8.975 1.00 44.12 O ATOM 241 CB THR A 15 -11.198 9.215 -11.323 1.00 3.40 C ATOM 242 OG1 THR A 15 -11.810 10.340 -11.960 1.00 34.40 O ATOM 243 CG2 THR A 15 -11.498 7.977 -12.133 1.00 15.13 C ATOM 0 H THR A 15 -10.880 10.812 -9.300 1.00 30.41 H new ATOM 0 HA THR A 15 -12.802 8.698 -10.017 1.00 44.53 H new ATOM 0 HB THR A 15 -10.119 9.356 -11.256 1.00 3.40 H new ATOM 0 HG1 THR A 15 -11.441 10.446 -12.862 1.00 34.40 H new ATOM 0 HG21 THR A 15 -11.081 8.087 -13.134 1.00 15.13 H new ATOM 0 HG22 THR A 15 -11.053 7.108 -11.648 1.00 15.13 H new ATOM 0 HG23 THR A 15 -12.577 7.840 -12.203 1.00 15.13 H new ATOM 251 N LYS A 16 -9.847 8.653 -8.577 1.00 12.04 N ATOM 252 CA LYS A 16 -8.937 7.901 -7.766 1.00 10.52 C ATOM 253 C LYS A 16 -9.408 7.939 -6.291 1.00 51.11 C ATOM 254 O LYS A 16 -9.484 6.907 -5.618 1.00 31.25 O ATOM 255 CB LYS A 16 -7.526 8.503 -7.864 1.00 1.45 C ATOM 256 CG LYS A 16 -6.826 8.569 -9.266 1.00 0.54 C ATOM 257 CD LYS A 16 -6.489 7.195 -9.870 1.00 32.32 C ATOM 258 CE LYS A 16 -7.616 6.563 -10.604 1.00 53.11 C ATOM 259 NZ LYS A 16 -7.362 5.134 -10.865 1.00 32.54 N ATOM 0 H LYS A 16 -9.591 9.634 -8.693 1.00 12.04 H new ATOM 0 HA LYS A 16 -8.913 6.870 -8.119 1.00 10.52 H new ATOM 0 HB2 LYS A 16 -7.573 9.519 -7.471 1.00 1.45 H new ATOM 0 HB3 LYS A 16 -6.878 7.933 -7.198 1.00 1.45 H new ATOM 0 HG2 LYS A 16 -7.474 9.108 -9.958 1.00 0.54 H new ATOM 0 HG3 LYS A 16 -5.907 9.148 -9.173 1.00 0.54 H new ATOM 0 HD2 LYS A 16 -5.644 7.306 -10.549 1.00 32.32 H new ATOM 0 HD3 LYS A 16 -6.170 6.527 -9.070 1.00 32.32 H new ATOM 0 HE2 LYS A 16 -8.533 6.670 -10.025 1.00 53.11 H new ATOM 0 HE3 LYS A 16 -7.773 7.084 -11.549 1.00 53.11 H new ATOM 0 HZ1 LYS A 16 -8.129 4.747 -11.451 1.00 32.54 H new ATOM 0 HZ2 LYS A 16 -6.456 5.028 -11.365 1.00 32.54 H new ATOM 0 HZ3 LYS A 16 -7.322 4.618 -9.963 1.00 32.54 H new ATOM 273 N CYS A 17 -9.747 9.142 -5.818 1.00 65.25 N ATOM 274 CA CYS A 17 -10.170 9.368 -4.433 1.00 1.33 C ATOM 275 C CYS A 17 -11.279 10.456 -4.330 1.00 13.04 C ATOM 276 O CYS A 17 -11.018 11.594 -3.917 1.00 21.13 O ATOM 277 CB CYS A 17 -8.956 9.764 -3.594 1.00 42.22 C ATOM 278 SG CYS A 17 -8.038 11.198 -4.231 1.00 11.11 S ATOM 0 H CYS A 17 -9.736 9.989 -6.387 1.00 65.25 H new ATOM 0 HA CYS A 17 -10.598 8.441 -4.053 1.00 1.33 H new ATOM 0 HB2 CYS A 17 -9.287 9.982 -2.579 1.00 42.22 H new ATOM 0 HB3 CYS A 17 -8.279 8.912 -3.533 1.00 42.22 H new ATOM 0 HG CYS A 17 -8.643 11.669 -5.281 1.00 11.11 H new ATOM 284 N PRO A 18 -12.518 10.142 -4.776 1.00 41.44 N ATOM 285 CA PRO A 18 -13.644 11.107 -4.762 1.00 52.25 C ATOM 286 C PRO A 18 -14.092 11.491 -3.363 1.00 35.34 C ATOM 287 O PRO A 18 -14.802 12.484 -3.172 1.00 63.52 O ATOM 288 CB PRO A 18 -14.766 10.356 -5.487 1.00 43.14 C ATOM 289 CG PRO A 18 -14.407 8.922 -5.356 1.00 63.43 C ATOM 290 CD PRO A 18 -12.913 8.857 -5.361 1.00 14.31 C ATOM 0 HA PRO A 18 -13.359 12.050 -5.228 1.00 52.25 H new ATOM 0 HB2 PRO A 18 -15.737 10.564 -5.037 1.00 43.14 H new ATOM 0 HB3 PRO A 18 -14.830 10.654 -6.534 1.00 43.14 H new ATOM 0 HG2 PRO A 18 -14.811 8.504 -4.434 1.00 63.43 H new ATOM 0 HG3 PRO A 18 -14.823 8.341 -6.179 1.00 63.43 H new ATOM 0 HD2 PRO A 18 -12.545 8.017 -4.772 1.00 14.31 H new ATOM 0 HD3 PRO A 18 -12.519 8.736 -6.370 1.00 14.31 H new ATOM 298 N TYR A 19 -13.696 10.712 -2.404 1.00 64.14 N ATOM 299 CA TYR A 19 -14.064 10.972 -1.025 1.00 22.25 C ATOM 300 C TYR A 19 -12.863 11.200 -0.156 1.00 4.14 C ATOM 301 O TYR A 19 -11.754 10.739 -0.442 1.00 75.42 O ATOM 302 CB TYR A 19 -14.898 9.832 -0.443 1.00 14.11 C ATOM 303 CG TYR A 19 -16.158 9.584 -1.197 1.00 12.04 C ATOM 304 CD1 TYR A 19 -17.316 10.267 -0.891 1.00 3.54 C ATOM 305 CD2 TYR A 19 -16.178 8.687 -2.238 1.00 44.11 C ATOM 306 CE1 TYR A 19 -18.468 10.060 -1.610 1.00 4.44 C ATOM 307 CE2 TYR A 19 -17.315 8.465 -2.963 1.00 44.33 C ATOM 308 CZ TYR A 19 -18.466 9.159 -2.649 1.00 1.12 C ATOM 309 OH TYR A 19 -19.619 8.962 -3.381 1.00 1.14 O ATOM 0 H TYR A 19 -13.115 9.885 -2.540 1.00 64.14 H new ATOM 0 HA TYR A 19 -14.663 11.883 -1.037 1.00 22.25 H new ATOM 0 HB2 TYR A 19 -14.301 8.920 -0.436 1.00 14.11 H new ATOM 0 HB3 TYR A 19 -15.142 10.061 0.594 1.00 14.11 H new ATOM 0 HD1 TYR A 19 -17.317 10.974 -0.075 1.00 3.54 H new ATOM 0 HD2 TYR A 19 -15.277 8.147 -2.488 1.00 44.11 H new ATOM 0 HE1 TYR A 19 -19.369 10.601 -1.361 1.00 4.44 H new ATOM 0 HE2 TYR A 19 -17.313 7.753 -3.775 1.00 44.33 H new ATOM 0 HH TYR A 19 -19.453 8.295 -4.080 1.00 1.14 H new ATOM 319 N THR A 20 -13.089 11.891 0.904 1.00 41.43 N ATOM 320 CA THR A 20 -12.084 12.130 1.874 1.00 60.12 C ATOM 321 C THR A 20 -12.228 11.094 2.936 1.00 15.33 C ATOM 322 O THR A 20 -13.363 10.694 3.256 1.00 14.31 O ATOM 323 CB THR A 20 -12.209 13.544 2.490 1.00 11.30 C ATOM 324 OG1 THR A 20 -13.509 13.717 3.097 1.00 41.24 O ATOM 325 CG2 THR A 20 -12.007 14.609 1.422 1.00 43.33 C ATOM 0 H THR A 20 -13.992 12.312 1.124 1.00 41.43 H new ATOM 0 HA THR A 20 -11.103 12.075 1.403 1.00 60.12 H new ATOM 0 HB THR A 20 -11.438 13.650 3.254 1.00 11.30 H new ATOM 0 HG1 THR A 20 -13.573 14.615 3.484 1.00 41.24 H new ATOM 0 HG21 THR A 20 -12.098 15.598 1.872 1.00 43.33 H new ATOM 0 HG22 THR A 20 -11.015 14.500 0.983 1.00 43.33 H new ATOM 0 HG23 THR A 20 -12.763 14.493 0.645 1.00 43.33 H new ATOM 333 N MET A 21 -11.144 10.612 3.457 1.00 2.11 N ATOM 334 CA MET A 21 -11.246 9.619 4.505 1.00 24.42 C ATOM 335 C MET A 21 -9.978 9.534 5.293 1.00 54.20 C ATOM 336 O MET A 21 -8.900 9.633 4.746 1.00 43.13 O ATOM 337 CB MET A 21 -11.585 8.242 3.929 1.00 64.15 C ATOM 338 CG MET A 21 -11.918 7.204 4.986 1.00 2.20 C ATOM 339 SD MET A 21 -13.402 7.640 5.905 1.00 2.43 S ATOM 340 CE MET A 21 -13.538 6.256 7.033 1.00 45.31 C ATOM 0 H MET A 21 -10.195 10.875 3.190 1.00 2.11 H new ATOM 0 HA MET A 21 -12.052 9.932 5.168 1.00 24.42 H new ATOM 0 HB2 MET A 21 -12.432 8.340 3.250 1.00 64.15 H new ATOM 0 HB3 MET A 21 -10.741 7.888 3.337 1.00 64.15 H new ATOM 0 HG2 MET A 21 -12.057 6.233 4.511 1.00 2.20 H new ATOM 0 HG3 MET A 21 -11.079 7.105 5.675 1.00 2.20 H new ATOM 0 HE1 MET A 21 -14.486 6.314 7.568 1.00 45.31 H new ATOM 0 HE2 MET A 21 -13.495 5.323 6.471 1.00 45.31 H new ATOM 0 HE3 MET A 21 -12.716 6.287 7.748 1.00 45.31 H new ATOM 350 N LYS A 22 -10.114 9.353 6.563 1.00 32.03 N ATOM 351 CA LYS A 22 -8.985 9.184 7.421 1.00 64.22 C ATOM 352 C LYS A 22 -8.703 7.681 7.495 1.00 53.01 C ATOM 353 O LYS A 22 -9.577 6.903 7.900 1.00 1.34 O ATOM 354 CB LYS A 22 -9.311 9.744 8.807 1.00 3.42 C ATOM 355 CG LYS A 22 -8.142 9.784 9.772 1.00 52.52 C ATOM 356 CD LYS A 22 -8.579 10.327 11.125 1.00 1.22 C ATOM 357 CE LYS A 22 -7.403 10.504 12.068 1.00 23.34 C ATOM 358 NZ LYS A 22 -6.426 11.490 11.554 1.00 12.31 N ATOM 0 H LYS A 22 -11.015 9.318 7.040 1.00 32.03 H new ATOM 0 HA LYS A 22 -8.111 9.715 7.044 1.00 64.22 H new ATOM 0 HB2 LYS A 22 -9.702 10.755 8.691 1.00 3.42 H new ATOM 0 HB3 LYS A 22 -10.106 9.143 9.248 1.00 3.42 H new ATOM 0 HG2 LYS A 22 -7.729 8.782 9.893 1.00 52.52 H new ATOM 0 HG3 LYS A 22 -7.348 10.409 9.363 1.00 52.52 H new ATOM 0 HD2 LYS A 22 -9.082 11.284 10.987 1.00 1.22 H new ATOM 0 HD3 LYS A 22 -9.304 9.647 11.572 1.00 1.22 H new ATOM 0 HE2 LYS A 22 -7.766 10.827 13.044 1.00 23.34 H new ATOM 0 HE3 LYS A 22 -6.907 9.544 12.214 1.00 23.34 H new ATOM 0 HZ1 LYS A 22 -5.803 11.798 12.328 1.00 12.31 H new ATOM 0 HZ2 LYS A 22 -5.855 11.053 10.803 1.00 12.31 H new ATOM 0 HZ3 LYS A 22 -6.933 12.313 11.170 1.00 12.31 H new ATOM 372 N PRO A 23 -7.510 7.247 7.086 1.00 54.11 N ATOM 373 CA PRO A 23 -7.166 5.828 7.017 1.00 45.44 C ATOM 374 C PRO A 23 -7.071 5.186 8.395 1.00 60.13 C ATOM 375 O PRO A 23 -6.581 5.794 9.358 1.00 52.40 O ATOM 376 CB PRO A 23 -5.800 5.823 6.336 1.00 71.21 C ATOM 377 CG PRO A 23 -5.222 7.158 6.635 1.00 41.40 C ATOM 378 CD PRO A 23 -6.381 8.108 6.676 1.00 52.43 C ATOM 0 HA PRO A 23 -7.925 5.254 6.485 1.00 45.44 H new ATOM 0 HB2 PRO A 23 -5.168 5.023 6.722 1.00 71.21 H new ATOM 0 HB3 PRO A 23 -5.894 5.664 5.262 1.00 71.21 H new ATOM 0 HG2 PRO A 23 -4.690 7.149 7.587 1.00 41.40 H new ATOM 0 HG3 PRO A 23 -4.503 7.452 5.871 1.00 41.40 H new ATOM 0 HD2 PRO A 23 -6.213 8.917 7.387 1.00 52.43 H new ATOM 0 HD3 PRO A 23 -6.558 8.569 5.704 1.00 52.43 H new ATOM 386 N LYS A 24 -7.566 3.983 8.496 1.00 12.53 N ATOM 387 CA LYS A 24 -7.498 3.244 9.711 1.00 24.43 C ATOM 388 C LYS A 24 -6.743 1.941 9.473 1.00 33.01 C ATOM 389 O LYS A 24 -6.141 1.390 10.383 1.00 34.14 O ATOM 390 CB LYS A 24 -8.908 2.953 10.221 1.00 42.14 C ATOM 391 CG LYS A 24 -9.002 2.170 11.530 1.00 4.22 C ATOM 392 CD LYS A 24 -8.770 3.007 12.820 1.00 54.52 C ATOM 393 CE LYS A 24 -7.366 3.594 12.947 1.00 41.24 C ATOM 394 NZ LYS A 24 -7.165 4.257 14.258 1.00 30.34 N ATOM 0 H LYS A 24 -8.028 3.492 7.731 1.00 12.53 H new ATOM 0 HA LYS A 24 -6.969 3.829 10.463 1.00 24.43 H new ATOM 0 HB2 LYS A 24 -9.428 3.902 10.351 1.00 42.14 H new ATOM 0 HB3 LYS A 24 -9.444 2.399 9.451 1.00 42.14 H new ATOM 0 HG2 LYS A 24 -9.987 1.708 11.588 1.00 4.22 H new ATOM 0 HG3 LYS A 24 -8.272 1.361 11.504 1.00 4.22 H new ATOM 0 HD2 LYS A 24 -9.495 3.821 12.846 1.00 54.52 H new ATOM 0 HD3 LYS A 24 -8.967 2.377 13.688 1.00 54.52 H new ATOM 0 HE2 LYS A 24 -6.628 2.802 12.823 1.00 41.24 H new ATOM 0 HE3 LYS A 24 -7.199 4.314 12.146 1.00 41.24 H new ATOM 0 HZ1 LYS A 24 -6.201 4.643 14.307 1.00 30.34 H new ATOM 0 HZ2 LYS A 24 -7.853 5.029 14.366 1.00 30.34 H new ATOM 0 HZ3 LYS A 24 -7.300 3.564 15.022 1.00 30.34 H new ATOM 408 N TYR A 25 -6.790 1.451 8.254 1.00 24.21 N ATOM 409 CA TYR A 25 -6.114 0.223 7.910 1.00 24.35 C ATOM 410 C TYR A 25 -5.051 0.486 6.865 1.00 21.25 C ATOM 411 O TYR A 25 -4.915 1.604 6.363 1.00 14.04 O ATOM 412 CB TYR A 25 -7.070 -0.812 7.324 1.00 32.45 C ATOM 413 CG TYR A 25 -8.248 -1.237 8.164 1.00 4.14 C ATOM 414 CD1 TYR A 25 -8.113 -2.219 9.131 1.00 42.11 C ATOM 415 CD2 TYR A 25 -9.502 -0.696 7.954 1.00 53.44 C ATOM 416 CE1 TYR A 25 -9.194 -2.643 9.872 1.00 61.42 C ATOM 417 CE2 TYR A 25 -10.590 -1.123 8.684 1.00 21.13 C ATOM 418 CZ TYR A 25 -10.430 -2.094 9.642 1.00 32.33 C ATOM 419 OH TYR A 25 -11.518 -2.535 10.357 1.00 44.32 O ATOM 0 H TYR A 25 -7.293 1.888 7.482 1.00 24.21 H new ATOM 0 HA TYR A 25 -5.680 -0.160 8.834 1.00 24.35 H new ATOM 0 HB2 TYR A 25 -7.454 -0.418 6.383 1.00 32.45 H new ATOM 0 HB3 TYR A 25 -6.491 -1.704 7.083 1.00 32.45 H new ATOM 0 HD1 TYR A 25 -7.143 -2.660 9.307 1.00 42.11 H new ATOM 0 HD2 TYR A 25 -9.631 0.073 7.207 1.00 53.44 H new ATOM 0 HE1 TYR A 25 -9.069 -3.403 10.629 1.00 61.42 H new ATOM 0 HE2 TYR A 25 -11.565 -0.696 8.503 1.00 21.13 H new ATOM 0 HH TYR A 25 -12.317 -2.043 10.074 1.00 44.32 H new ATOM 429 N ILE A 26 -4.323 -0.550 6.524 1.00 0.12 N ATOM 430 CA ILE A 26 -3.327 -0.508 5.472 1.00 4.54 C ATOM 431 C ILE A 26 -3.477 -1.773 4.637 1.00 45.31 C ATOM 432 O ILE A 26 -3.520 -2.872 5.184 1.00 52.31 O ATOM 433 CB ILE A 26 -1.875 -0.425 6.042 1.00 60.21 C ATOM 434 CG1 ILE A 26 -1.702 0.852 6.882 1.00 72.14 C ATOM 435 CG2 ILE A 26 -0.846 -0.470 4.912 1.00 51.15 C ATOM 436 CD1 ILE A 26 -0.340 1.013 7.521 1.00 40.34 C ATOM 0 H ILE A 26 -4.405 -1.461 6.974 1.00 0.12 H new ATOM 0 HA ILE A 26 -3.487 0.387 4.870 1.00 4.54 H new ATOM 0 HB ILE A 26 -1.709 -1.288 6.686 1.00 60.21 H new ATOM 0 HG12 ILE A 26 -1.894 1.717 6.246 1.00 72.14 H new ATOM 0 HG13 ILE A 26 -2.459 0.859 7.667 1.00 72.14 H new ATOM 0 HG21 ILE A 26 0.158 -0.411 5.332 1.00 51.15 H new ATOM 0 HG22 ILE A 26 -0.954 -1.403 4.359 1.00 51.15 H new ATOM 0 HG23 ILE A 26 -1.008 0.372 4.239 1.00 51.15 H new ATOM 0 HD11 ILE A 26 -0.313 1.941 8.092 1.00 40.34 H new ATOM 0 HD12 ILE A 26 -0.149 0.172 8.187 1.00 40.34 H new ATOM 0 HD13 ILE A 26 0.425 1.042 6.745 1.00 40.34 H new ATOM 448 N THR A 27 -3.577 -1.623 3.344 1.00 1.21 N ATOM 449 CA THR A 27 -3.755 -2.755 2.471 1.00 11.23 C ATOM 450 C THR A 27 -2.541 -2.905 1.558 1.00 4.10 C ATOM 451 O THR A 27 -2.259 -2.025 0.731 1.00 53.45 O ATOM 452 CB THR A 27 -5.029 -2.604 1.614 1.00 65.31 C ATOM 453 OG1 THR A 27 -6.145 -2.339 2.463 1.00 4.55 O ATOM 454 CG2 THR A 27 -5.303 -3.887 0.838 1.00 10.43 C ATOM 0 H THR A 27 -3.538 -0.722 2.868 1.00 1.21 H new ATOM 0 HA THR A 27 -3.861 -3.645 3.091 1.00 11.23 H new ATOM 0 HB THR A 27 -4.881 -1.781 0.914 1.00 65.31 H new ATOM 0 HG1 THR A 27 -6.489 -1.440 2.280 1.00 4.55 H new ATOM 0 HG21 THR A 27 -6.205 -3.764 0.239 1.00 10.43 H new ATOM 0 HG22 THR A 27 -4.459 -4.104 0.183 1.00 10.43 H new ATOM 0 HG23 THR A 27 -5.441 -4.712 1.537 1.00 10.43 H new ATOM 462 N VAL A 28 -1.850 -4.005 1.692 1.00 13.22 N ATOM 463 CA VAL A 28 -0.655 -4.268 0.915 1.00 2.04 C ATOM 464 C VAL A 28 -1.011 -5.151 -0.299 1.00 51.31 C ATOM 465 O VAL A 28 -1.892 -6.035 -0.211 1.00 42.45 O ATOM 466 CB VAL A 28 0.399 -4.981 1.791 1.00 24.00 C ATOM 467 CG1 VAL A 28 1.701 -5.194 1.031 1.00 21.13 C ATOM 468 CG2 VAL A 28 0.645 -4.188 3.064 1.00 73.43 C ATOM 0 H VAL A 28 -2.096 -4.750 2.344 1.00 13.22 H new ATOM 0 HA VAL A 28 -0.241 -3.323 0.564 1.00 2.04 H new ATOM 0 HB VAL A 28 0.009 -5.963 2.057 1.00 24.00 H new ATOM 0 HG11 VAL A 28 2.421 -5.698 1.676 1.00 21.13 H new ATOM 0 HG12 VAL A 28 1.512 -5.807 0.150 1.00 21.13 H new ATOM 0 HG13 VAL A 28 2.104 -4.229 0.722 1.00 21.13 H new ATOM 0 HG21 VAL A 28 1.390 -4.700 3.674 1.00 73.43 H new ATOM 0 HG22 VAL A 28 1.008 -3.193 2.808 1.00 73.43 H new ATOM 0 HG23 VAL A 28 -0.286 -4.102 3.625 1.00 73.43 H new ATOM 478 N HIS A 29 -0.389 -4.882 -1.431 1.00 10.44 N ATOM 479 CA HIS A 29 -0.631 -5.636 -2.661 1.00 53.21 C ATOM 480 C HIS A 29 0.723 -5.975 -3.253 1.00 51.02 C ATOM 481 O HIS A 29 1.750 -5.423 -2.830 1.00 24.34 O ATOM 482 CB HIS A 29 -1.416 -4.790 -3.734 1.00 72.41 C ATOM 483 CG HIS A 29 -2.635 -4.059 -3.245 1.00 24.35 C ATOM 484 ND1 HIS A 29 -3.981 -4.269 -3.697 1.00 11.34 N ATOM 485 CD2 HIS A 29 -2.702 -3.045 -2.347 1.00 12.30 C ATOM 486 CE1 HIS A 29 -4.725 -3.367 -3.045 1.00 51.44 C ATOM 487 NE2 HIS A 29 -3.986 -2.646 -2.242 1.00 14.40 N ATOM 0 H HIS A 29 0.299 -4.136 -1.531 1.00 10.44 H new ATOM 0 HA HIS A 29 -1.226 -6.516 -2.416 1.00 53.21 H new ATOM 0 HB2 HIS A 29 -0.729 -4.061 -4.164 1.00 72.41 H new ATOM 0 HB3 HIS A 29 -1.718 -5.457 -4.541 1.00 72.41 H new ATOM 0 HD2 HIS A 29 -1.866 -2.627 -1.806 1.00 12.30 H new ATOM 0 HE1 HIS A 29 -5.792 -3.250 -3.166 1.00 51.44 H new ATOM 0 HE2 HIS A 29 -4.326 -1.901 -1.634 1.00 14.40 H new ATOM 495 N ASN A 30 0.736 -6.867 -4.189 1.00 41.02 N ATOM 496 CA ASN A 30 1.921 -7.176 -4.926 1.00 1.01 C ATOM 497 C ASN A 30 1.649 -6.890 -6.381 1.00 65.12 C ATOM 498 O ASN A 30 0.524 -7.118 -6.860 1.00 64.22 O ATOM 499 CB ASN A 30 2.354 -8.647 -4.782 1.00 1.32 C ATOM 500 CG ASN A 30 2.976 -9.072 -3.436 1.00 75.55 C ATOM 501 OD1 ASN A 30 2.846 -10.229 -3.039 1.00 2.11 O ATOM 502 ND2 ASN A 30 3.703 -8.197 -2.768 1.00 30.02 N ATOM 0 H ASN A 30 -0.083 -7.408 -4.467 1.00 41.02 H new ATOM 0 HA ASN A 30 2.732 -6.565 -4.530 1.00 1.01 H new ATOM 0 HB2 ASN A 30 1.482 -9.275 -4.964 1.00 1.32 H new ATOM 0 HB3 ASN A 30 3.074 -8.866 -5.571 1.00 1.32 H new ATOM 0 HD21 ASN A 30 4.170 -8.475 -1.905 1.00 30.02 H new ATOM 0 HD22 ASN A 30 3.798 -7.242 -3.115 1.00 30.02 H new ATOM 509 N THR A 31 2.638 -6.399 -7.076 1.00 0.13 N ATOM 510 CA THR A 31 2.508 -6.110 -8.480 1.00 2.43 C ATOM 511 C THR A 31 2.503 -7.369 -9.334 1.00 12.41 C ATOM 512 O THR A 31 3.332 -8.274 -9.147 1.00 41.34 O ATOM 513 CB THR A 31 3.612 -5.156 -8.953 1.00 71.35 C ATOM 514 OG1 THR A 31 4.868 -5.535 -8.352 1.00 15.44 O ATOM 515 CG2 THR A 31 3.285 -3.716 -8.626 1.00 20.24 C ATOM 0 H THR A 31 3.557 -6.188 -6.687 1.00 0.13 H new ATOM 0 HA THR A 31 1.541 -5.623 -8.607 1.00 2.43 H new ATOM 0 HB THR A 31 3.688 -5.234 -10.038 1.00 71.35 H new ATOM 0 HG1 THR A 31 4.911 -5.188 -7.437 1.00 15.44 H new ATOM 0 HG21 THR A 31 4.091 -3.071 -8.977 1.00 20.24 H new ATOM 0 HG22 THR A 31 2.354 -3.434 -9.118 1.00 20.24 H new ATOM 0 HG23 THR A 31 3.174 -3.604 -7.547 1.00 20.24 H new ATOM 523 N TYR A 32 1.570 -7.418 -10.266 1.00 73.55 N ATOM 524 CA TYR A 32 1.456 -8.520 -11.199 1.00 14.04 C ATOM 525 C TYR A 32 2.475 -8.363 -12.307 1.00 22.31 C ATOM 526 O TYR A 32 2.732 -9.289 -13.056 1.00 55.30 O ATOM 527 CB TYR A 32 0.050 -8.597 -11.818 1.00 24.55 C ATOM 528 CG TYR A 32 -1.072 -8.885 -10.843 1.00 13.02 C ATOM 529 CD1 TYR A 32 -1.323 -10.181 -10.412 1.00 30.11 C ATOM 530 CD2 TYR A 32 -1.893 -7.868 -10.372 1.00 44.32 C ATOM 531 CE1 TYR A 32 -2.353 -10.458 -9.538 1.00 5.34 C ATOM 532 CE2 TYR A 32 -2.930 -8.137 -9.499 1.00 33.51 C ATOM 533 CZ TYR A 32 -3.154 -9.434 -9.086 1.00 5.11 C ATOM 534 OH TYR A 32 -4.192 -9.712 -8.225 1.00 74.54 O ATOM 0 H TYR A 32 0.867 -6.690 -10.397 1.00 73.55 H new ATOM 0 HA TYR A 32 1.639 -9.441 -10.645 1.00 14.04 H new ATOM 0 HB2 TYR A 32 -0.160 -7.652 -12.320 1.00 24.55 H new ATOM 0 HB3 TYR A 32 0.051 -9.372 -12.585 1.00 24.55 H new ATOM 0 HD1 TYR A 32 -0.699 -10.988 -10.768 1.00 30.11 H new ATOM 0 HD2 TYR A 32 -1.718 -6.852 -10.693 1.00 44.32 H new ATOM 0 HE1 TYR A 32 -2.530 -11.472 -9.210 1.00 5.34 H new ATOM 0 HE2 TYR A 32 -3.561 -7.337 -9.142 1.00 33.51 H new ATOM 0 HH TYR A 32 -3.842 -10.153 -7.423 1.00 74.54 H new ATOM 544 N ASN A 33 3.017 -7.170 -12.432 1.00 3.23 N ATOM 545 CA ASN A 33 4.067 -6.875 -13.414 1.00 64.13 C ATOM 546 C ASN A 33 5.243 -6.255 -12.694 1.00 24.03 C ATOM 547 O ASN A 33 5.104 -5.774 -11.574 1.00 14.31 O ATOM 548 CB ASN A 33 3.591 -5.905 -14.534 1.00 72.13 C ATOM 549 CG ASN A 33 2.576 -6.460 -15.554 1.00 2.53 C ATOM 550 OD1 ASN A 33 2.557 -6.030 -16.705 1.00 11.33 O ATOM 551 ND2 ASN A 33 1.754 -7.396 -15.166 1.00 70.25 N ATOM 0 H ASN A 33 2.749 -6.369 -11.860 1.00 3.23 H new ATOM 0 HA ASN A 33 4.342 -7.814 -13.894 1.00 64.13 H new ATOM 0 HB2 ASN A 33 3.150 -5.029 -14.059 1.00 72.13 H new ATOM 0 HB3 ASN A 33 4.469 -5.562 -15.081 1.00 72.13 H new ATOM 0 HD21 ASN A 33 1.078 -7.786 -15.823 1.00 70.25 H new ATOM 0 HD22 ASN A 33 1.787 -7.738 -14.206 1.00 70.25 H new ATOM 558 N ASP A 34 6.392 -6.279 -13.309 1.00 50.14 N ATOM 559 CA ASP A 34 7.558 -5.654 -12.729 1.00 31.41 C ATOM 560 C ASP A 34 7.787 -4.314 -13.394 1.00 13.30 C ATOM 561 O ASP A 34 7.931 -4.220 -14.622 1.00 54.03 O ATOM 562 CB ASP A 34 8.821 -6.548 -12.813 1.00 63.53 C ATOM 563 CG ASP A 34 9.356 -6.772 -14.208 1.00 33.25 C ATOM 564 OD1 ASP A 34 8.841 -7.646 -14.919 1.00 32.04 O ATOM 565 OD2 ASP A 34 10.308 -6.081 -14.604 1.00 33.22 O ATOM 0 H ASP A 34 6.551 -6.724 -14.213 1.00 50.14 H new ATOM 0 HA ASP A 34 7.369 -5.507 -11.666 1.00 31.41 H new ATOM 0 HB2 ASP A 34 9.607 -6.097 -12.207 1.00 63.53 H new ATOM 0 HB3 ASP A 34 8.592 -7.517 -12.369 1.00 63.53 H new ATOM 570 N ALA A 35 7.772 -3.289 -12.599 1.00 53.40 N ATOM 571 CA ALA A 35 7.952 -1.936 -13.055 1.00 13.34 C ATOM 572 C ALA A 35 8.390 -1.091 -11.874 1.00 74.25 C ATOM 573 O ALA A 35 8.146 -1.485 -10.730 1.00 20.44 O ATOM 574 CB ALA A 35 6.634 -1.397 -13.629 1.00 72.43 C ATOM 0 H ALA A 35 7.631 -3.366 -11.592 1.00 53.40 H new ATOM 0 HA ALA A 35 8.708 -1.901 -13.840 1.00 13.34 H new ATOM 0 HB1 ALA A 35 6.778 -0.372 -13.972 1.00 72.43 H new ATOM 0 HB2 ALA A 35 6.321 -2.019 -14.467 1.00 72.43 H new ATOM 0 HB3 ALA A 35 5.866 -1.416 -12.856 1.00 72.43 H new ATOM 580 N PRO A 36 9.087 0.038 -12.122 1.00 61.22 N ATOM 581 CA PRO A 36 9.465 0.967 -11.073 1.00 63.53 C ATOM 582 C PRO A 36 8.235 1.600 -10.463 1.00 71.04 C ATOM 583 O PRO A 36 7.238 1.836 -11.164 1.00 71.21 O ATOM 584 CB PRO A 36 10.304 2.037 -11.765 1.00 4.11 C ATOM 585 CG PRO A 36 10.150 1.824 -13.215 1.00 63.43 C ATOM 586 CD PRO A 36 9.553 0.469 -13.438 1.00 0.22 C ATOM 0 HA PRO A 36 10.009 0.469 -10.271 1.00 63.53 H new ATOM 0 HB2 PRO A 36 9.968 3.035 -11.483 1.00 4.11 H new ATOM 0 HB3 PRO A 36 11.351 1.958 -11.471 1.00 4.11 H new ATOM 0 HG2 PRO A 36 9.510 2.595 -13.645 1.00 63.43 H new ATOM 0 HG3 PRO A 36 11.117 1.898 -13.713 1.00 63.43 H new ATOM 0 HD2 PRO A 36 8.731 0.513 -14.153 1.00 0.22 H new ATOM 0 HD3 PRO A 36 10.290 -0.225 -13.842 1.00 0.22 H new ATOM 594 N ALA A 37 8.303 1.883 -9.189 1.00 64.33 N ATOM 595 CA ALA A 37 7.156 2.419 -8.441 1.00 12.55 C ATOM 596 C ALA A 37 6.613 3.704 -9.062 1.00 41.20 C ATOM 597 O ALA A 37 5.406 3.956 -9.048 1.00 12.23 O ATOM 598 CB ALA A 37 7.527 2.647 -6.997 1.00 54.13 C ATOM 0 H ALA A 37 9.144 1.755 -8.626 1.00 64.33 H new ATOM 0 HA ALA A 37 6.361 1.674 -8.491 1.00 12.55 H new ATOM 0 HB1 ALA A 37 6.666 3.044 -6.459 1.00 54.13 H new ATOM 0 HB2 ALA A 37 7.833 1.703 -6.547 1.00 54.13 H new ATOM 0 HB3 ALA A 37 8.350 3.359 -6.941 1.00 54.13 H new ATOM 604 N GLU A 38 7.511 4.497 -9.634 1.00 73.12 N ATOM 605 CA GLU A 38 7.140 5.749 -10.281 1.00 50.55 C ATOM 606 C GLU A 38 6.204 5.480 -11.444 1.00 22.13 C ATOM 607 O GLU A 38 5.249 6.213 -11.672 1.00 13.13 O ATOM 608 CB GLU A 38 8.389 6.480 -10.778 1.00 11.12 C ATOM 609 CG GLU A 38 8.113 7.805 -11.458 1.00 35.51 C ATOM 610 CD GLU A 38 9.354 8.394 -12.054 1.00 73.25 C ATOM 611 OE1 GLU A 38 10.248 8.795 -11.296 1.00 22.44 O ATOM 612 OE2 GLU A 38 9.472 8.431 -13.303 1.00 14.43 O ATOM 0 H GLU A 38 8.510 4.292 -9.663 1.00 73.12 H new ATOM 0 HA GLU A 38 6.629 6.378 -9.552 1.00 50.55 H new ATOM 0 HB2 GLU A 38 9.055 6.652 -9.932 1.00 11.12 H new ATOM 0 HB3 GLU A 38 8.920 5.832 -11.475 1.00 11.12 H new ATOM 0 HG2 GLU A 38 7.366 7.664 -12.239 1.00 35.51 H new ATOM 0 HG3 GLU A 38 7.690 8.503 -10.736 1.00 35.51 H new ATOM 619 N ASN A 39 6.467 4.402 -12.143 1.00 50.12 N ATOM 620 CA ASN A 39 5.701 4.027 -13.308 1.00 1.32 C ATOM 621 C ASN A 39 4.343 3.511 -12.918 1.00 61.21 C ATOM 622 O ASN A 39 3.357 3.722 -13.639 1.00 54.12 O ATOM 623 CB ASN A 39 6.454 2.993 -14.124 1.00 43.03 C ATOM 624 CG ASN A 39 7.731 3.538 -14.751 1.00 31.42 C ATOM 625 OD1 ASN A 39 8.371 4.462 -14.228 1.00 74.21 O ATOM 626 ND2 ASN A 39 8.122 2.970 -15.834 1.00 51.00 N ATOM 0 H ASN A 39 7.224 3.756 -11.918 1.00 50.12 H new ATOM 0 HA ASN A 39 5.557 4.916 -13.922 1.00 1.32 H new ATOM 0 HB2 ASN A 39 6.703 2.146 -13.485 1.00 43.03 H new ATOM 0 HB3 ASN A 39 5.802 2.616 -14.912 1.00 43.03 H new ATOM 0 HD21 ASN A 39 8.982 3.277 -16.289 1.00 51.00 H new ATOM 0 HD22 ASN A 39 7.573 2.212 -16.239 1.00 51.00 H new ATOM 633 N GLU A 40 4.276 2.846 -11.777 1.00 31.25 N ATOM 634 CA GLU A 40 3.010 2.359 -11.270 1.00 45.23 C ATOM 635 C GLU A 40 2.135 3.523 -10.888 1.00 55.31 C ATOM 636 O GLU A 40 0.951 3.570 -11.222 1.00 21.23 O ATOM 637 CB GLU A 40 3.200 1.408 -10.087 1.00 74.33 C ATOM 638 CG GLU A 40 3.829 0.080 -10.461 1.00 40.55 C ATOM 639 CD GLU A 40 2.972 -0.686 -11.445 1.00 51.53 C ATOM 640 OE1 GLU A 40 1.941 -1.268 -11.032 1.00 62.51 O ATOM 641 OE2 GLU A 40 3.287 -0.690 -12.653 1.00 11.15 O ATOM 0 H GLU A 40 5.081 2.633 -11.188 1.00 31.25 H new ATOM 0 HA GLU A 40 2.522 1.789 -12.061 1.00 45.23 H new ATOM 0 HB2 GLU A 40 3.823 1.896 -9.338 1.00 74.33 H new ATOM 0 HB3 GLU A 40 2.231 1.222 -9.624 1.00 74.33 H new ATOM 0 HG2 GLU A 40 4.814 0.253 -10.894 1.00 40.55 H new ATOM 0 HG3 GLU A 40 3.976 -0.519 -9.562 1.00 40.55 H new ATOM 648 N VAL A 41 2.740 4.493 -10.242 1.00 54.14 N ATOM 649 CA VAL A 41 2.025 5.672 -9.803 1.00 10.01 C ATOM 650 C VAL A 41 1.612 6.524 -10.989 1.00 65.55 C ATOM 651 O VAL A 41 0.453 6.919 -11.092 1.00 24.23 O ATOM 652 CB VAL A 41 2.848 6.514 -8.798 1.00 22.11 C ATOM 653 CG1 VAL A 41 2.111 7.792 -8.433 1.00 73.41 C ATOM 654 CG2 VAL A 41 3.116 5.704 -7.551 1.00 22.01 C ATOM 0 H VAL A 41 3.733 4.489 -10.007 1.00 54.14 H new ATOM 0 HA VAL A 41 1.130 5.327 -9.286 1.00 10.01 H new ATOM 0 HB VAL A 41 3.794 6.784 -9.267 1.00 22.11 H new ATOM 0 HG11 VAL A 41 2.709 8.367 -7.726 1.00 73.41 H new ATOM 0 HG12 VAL A 41 1.943 8.385 -9.332 1.00 73.41 H new ATOM 0 HG13 VAL A 41 1.152 7.542 -7.979 1.00 73.41 H new ATOM 0 HG21 VAL A 41 3.696 6.301 -6.847 1.00 22.01 H new ATOM 0 HG22 VAL A 41 2.169 5.419 -7.092 1.00 22.01 H new ATOM 0 HG23 VAL A 41 3.677 4.807 -7.813 1.00 22.01 H new ATOM 664 N SER A 42 2.558 6.766 -11.894 1.00 14.40 N ATOM 665 CA SER A 42 2.333 7.588 -13.073 1.00 71.03 C ATOM 666 C SER A 42 1.141 7.065 -13.888 1.00 24.44 C ATOM 667 O SER A 42 0.360 7.847 -14.432 1.00 53.42 O ATOM 668 CB SER A 42 3.613 7.646 -13.931 1.00 20.02 C ATOM 669 OG SER A 42 3.463 8.510 -15.046 1.00 62.33 O ATOM 0 H SER A 42 3.505 6.394 -11.826 1.00 14.40 H new ATOM 0 HA SER A 42 2.090 8.600 -12.750 1.00 71.03 H new ATOM 0 HB2 SER A 42 4.447 7.987 -13.317 1.00 20.02 H new ATOM 0 HB3 SER A 42 3.863 6.644 -14.279 1.00 20.02 H new ATOM 0 HG SER A 42 4.294 8.522 -15.565 1.00 62.33 H new ATOM 675 N TYR A 43 0.994 5.755 -13.960 1.00 22.45 N ATOM 676 CA TYR A 43 -0.137 5.171 -14.647 1.00 4.15 C ATOM 677 C TYR A 43 -1.402 5.257 -13.799 1.00 33.11 C ATOM 678 O TYR A 43 -2.456 5.658 -14.280 1.00 61.44 O ATOM 679 CB TYR A 43 0.139 3.709 -15.049 1.00 12.21 C ATOM 680 CG TYR A 43 -1.081 3.008 -15.623 1.00 42.53 C ATOM 681 CD1 TYR A 43 -1.466 3.191 -16.944 1.00 22.24 C ATOM 682 CD2 TYR A 43 -1.859 2.178 -14.823 1.00 21.33 C ATOM 683 CE1 TYR A 43 -2.595 2.570 -17.449 1.00 3.40 C ATOM 684 CE2 TYR A 43 -2.977 1.555 -15.318 1.00 31.22 C ATOM 685 CZ TYR A 43 -3.345 1.754 -16.629 1.00 51.14 C ATOM 686 OH TYR A 43 -4.480 1.142 -17.116 1.00 70.44 O ATOM 0 H TYR A 43 1.641 5.080 -13.553 1.00 22.45 H new ATOM 0 HA TYR A 43 -0.293 5.749 -15.558 1.00 4.15 H new ATOM 0 HB2 TYR A 43 0.943 3.686 -15.784 1.00 12.21 H new ATOM 0 HB3 TYR A 43 0.490 3.158 -14.176 1.00 12.21 H new ATOM 0 HD1 TYR A 43 -0.876 3.827 -17.587 1.00 22.24 H new ATOM 0 HD2 TYR A 43 -1.578 2.021 -13.792 1.00 21.33 H new ATOM 0 HE1 TYR A 43 -2.886 2.723 -18.478 1.00 3.40 H new ATOM 0 HE2 TYR A 43 -3.566 0.911 -14.681 1.00 31.22 H new ATOM 0 HH TYR A 43 -4.889 0.601 -16.408 1.00 70.44 H new ATOM 696 N MET A 44 -1.284 4.892 -12.545 1.00 32.34 N ATOM 697 CA MET A 44 -2.417 4.813 -11.645 1.00 35.53 C ATOM 698 C MET A 44 -3.154 6.149 -11.473 1.00 65.02 C ATOM 699 O MET A 44 -4.363 6.208 -11.621 1.00 33.25 O ATOM 700 CB MET A 44 -1.999 4.162 -10.318 1.00 40.10 C ATOM 701 CG MET A 44 -3.096 3.989 -9.281 1.00 44.14 C ATOM 702 SD MET A 44 -3.506 5.498 -8.369 1.00 1.25 S ATOM 703 CE MET A 44 -1.929 5.845 -7.567 1.00 42.43 C ATOM 0 H MET A 44 -0.395 4.639 -12.114 1.00 32.34 H new ATOM 0 HA MET A 44 -3.162 4.163 -12.105 1.00 35.53 H new ATOM 0 HB2 MET A 44 -1.576 3.181 -10.536 1.00 40.10 H new ATOM 0 HB3 MET A 44 -1.203 4.762 -9.878 1.00 40.10 H new ATOM 0 HG2 MET A 44 -3.995 3.624 -9.778 1.00 44.14 H new ATOM 0 HG3 MET A 44 -2.790 3.221 -8.570 1.00 44.14 H new ATOM 0 HE1 MET A 44 -1.974 6.820 -7.082 1.00 42.43 H new ATOM 0 HE2 MET A 44 -1.724 5.077 -6.821 1.00 42.43 H new ATOM 0 HE3 MET A 44 -1.134 5.848 -8.313 1.00 42.43 H new ATOM 713 N ILE A 45 -2.425 7.194 -11.222 1.00 4.41 N ATOM 714 CA ILE A 45 -2.997 8.517 -11.013 1.00 42.11 C ATOM 715 C ILE A 45 -3.538 9.104 -12.312 1.00 72.50 C ATOM 716 O ILE A 45 -4.445 9.923 -12.302 1.00 41.24 O ATOM 717 CB ILE A 45 -1.962 9.510 -10.401 1.00 52.31 C ATOM 718 CG1 ILE A 45 -0.752 9.719 -11.337 1.00 44.13 C ATOM 719 CG2 ILE A 45 -1.507 9.034 -9.031 1.00 74.42 C ATOM 720 CD1 ILE A 45 0.279 10.702 -10.817 1.00 12.31 C ATOM 0 H ILE A 45 -1.408 7.167 -11.153 1.00 4.41 H new ATOM 0 HA ILE A 45 -3.817 8.384 -10.308 1.00 42.11 H new ATOM 0 HB ILE A 45 -2.458 10.474 -10.286 1.00 52.31 H new ATOM 0 HG12 ILE A 45 -0.267 8.757 -11.505 1.00 44.13 H new ATOM 0 HG13 ILE A 45 -1.113 10.067 -12.305 1.00 44.13 H new ATOM 0 HG21 ILE A 45 -0.785 9.741 -8.621 1.00 74.42 H new ATOM 0 HG22 ILE A 45 -2.367 8.967 -8.365 1.00 74.42 H new ATOM 0 HG23 ILE A 45 -1.042 8.053 -9.123 1.00 74.42 H new ATOM 0 HD11 ILE A 45 1.094 10.789 -11.536 1.00 12.31 H new ATOM 0 HD12 ILE A 45 -0.187 11.678 -10.677 1.00 12.31 H new ATOM 0 HD13 ILE A 45 0.672 10.347 -9.864 1.00 12.31 H new ATOM 732 N SER A 46 -2.995 8.667 -13.418 1.00 52.02 N ATOM 733 CA SER A 46 -3.363 9.212 -14.686 1.00 11.14 C ATOM 734 C SER A 46 -4.493 8.440 -15.349 1.00 71.40 C ATOM 735 O SER A 46 -5.083 8.918 -16.331 1.00 62.53 O ATOM 736 CB SER A 46 -2.157 9.262 -15.586 1.00 13.11 C ATOM 737 OG SER A 46 -1.121 10.051 -14.997 1.00 74.22 O ATOM 0 H SER A 46 -2.292 7.929 -13.460 1.00 52.02 H new ATOM 0 HA SER A 46 -3.735 10.222 -14.514 1.00 11.14 H new ATOM 0 HB2 SER A 46 -1.792 8.252 -15.770 1.00 13.11 H new ATOM 0 HB3 SER A 46 -2.435 9.681 -16.553 1.00 13.11 H new ATOM 0 HG SER A 46 -0.403 9.464 -14.681 1.00 74.22 H new ATOM 743 N ASN A 47 -4.802 7.259 -14.840 1.00 71.23 N ATOM 744 CA ASN A 47 -5.888 6.500 -15.419 1.00 33.13 C ATOM 745 C ASN A 47 -7.215 6.939 -14.835 1.00 24.50 C ATOM 746 O ASN A 47 -7.283 7.864 -14.019 1.00 70.34 O ATOM 747 CB ASN A 47 -5.732 4.948 -15.326 1.00 50.30 C ATOM 748 CG ASN A 47 -5.909 4.321 -13.945 1.00 44.01 C ATOM 749 OD1 ASN A 47 -7.022 4.047 -13.512 1.00 50.34 O ATOM 750 ND2 ASN A 47 -4.845 4.030 -13.292 1.00 3.51 N ATOM 0 H ASN A 47 -4.330 6.818 -14.050 1.00 71.23 H new ATOM 0 HA ASN A 47 -5.856 6.725 -16.485 1.00 33.13 H new ATOM 0 HB2 ASN A 47 -6.456 4.492 -16.001 1.00 50.30 H new ATOM 0 HB3 ASN A 47 -4.741 4.683 -15.695 1.00 50.30 H new ATOM 0 HD21 ASN A 47 -4.913 3.559 -12.390 1.00 3.51 H new ATOM 0 HD22 ASN A 47 -3.930 4.269 -13.675 1.00 3.51 H new ATOM 757 N ASN A 48 -8.245 6.273 -15.234 1.00 1.30 N ATOM 758 CA ASN A 48 -9.593 6.632 -14.842 1.00 20.30 C ATOM 759 C ASN A 48 -10.387 5.413 -14.425 1.00 24.45 C ATOM 760 O ASN A 48 -11.609 5.476 -14.267 1.00 52.14 O ATOM 761 CB ASN A 48 -10.344 7.439 -15.934 1.00 14.41 C ATOM 762 CG ASN A 48 -10.557 6.690 -17.237 1.00 25.14 C ATOM 763 OD1 ASN A 48 -11.559 5.985 -17.413 1.00 74.44 O ATOM 764 ND2 ASN A 48 -9.647 6.857 -18.163 1.00 71.44 N ATOM 0 H ASN A 48 -8.190 5.458 -15.845 1.00 1.30 H new ATOM 0 HA ASN A 48 -9.496 7.291 -13.979 1.00 20.30 H new ATOM 0 HB2 ASN A 48 -11.315 7.742 -15.541 1.00 14.41 H new ATOM 0 HB3 ASN A 48 -9.786 8.352 -16.142 1.00 14.41 H new ATOM 0 HD21 ASN A 48 -9.750 6.398 -19.068 1.00 71.44 H new ATOM 0 HD22 ASN A 48 -8.835 7.446 -17.980 1.00 71.44 H new ATOM 771 N ASN A 49 -9.705 4.305 -14.223 1.00 5.12 N ATOM 772 CA ASN A 49 -10.361 3.151 -13.659 1.00 51.24 C ATOM 773 C ASN A 49 -10.513 3.372 -12.198 1.00 72.32 C ATOM 774 O ASN A 49 -9.831 4.233 -11.617 1.00 62.23 O ATOM 775 CB ASN A 49 -9.644 1.809 -13.914 1.00 60.52 C ATOM 776 CG ASN A 49 -9.765 1.305 -15.337 1.00 35.20 C ATOM 777 OD1 ASN A 49 -10.737 0.625 -15.682 1.00 44.34 O ATOM 778 ND2 ASN A 49 -8.783 1.558 -16.139 1.00 73.35 N ATOM 0 H ASN A 49 -8.715 4.182 -14.437 1.00 5.12 H new ATOM 0 HA ASN A 49 -11.323 3.058 -14.162 1.00 51.24 H new ATOM 0 HB2 ASN A 49 -8.588 1.921 -13.668 1.00 60.52 H new ATOM 0 HB3 ASN A 49 -10.051 1.057 -13.238 1.00 60.52 H new ATOM 0 HD21 ASN A 49 -8.795 1.192 -17.091 1.00 73.35 H new ATOM 0 HD22 ASN A 49 -7.996 2.123 -15.820 1.00 73.35 H new ATOM 785 N GLU A 50 -11.362 2.614 -11.596 1.00 63.03 N ATOM 786 CA GLU A 50 -11.658 2.768 -10.202 1.00 70.11 C ATOM 787 C GLU A 50 -10.478 2.419 -9.324 1.00 12.20 C ATOM 788 O GLU A 50 -10.259 3.064 -8.322 1.00 34.13 O ATOM 789 CB GLU A 50 -12.910 1.966 -9.770 1.00 55.43 C ATOM 790 CG GLU A 50 -12.833 0.439 -9.960 1.00 54.21 C ATOM 791 CD GLU A 50 -12.737 0.025 -11.404 1.00 24.11 C ATOM 792 OE1 GLU A 50 -13.773 -0.014 -12.083 1.00 1.30 O ATOM 793 OE2 GLU A 50 -11.623 -0.241 -11.885 1.00 45.34 O ATOM 0 H GLU A 50 -11.878 1.863 -12.054 1.00 63.03 H new ATOM 0 HA GLU A 50 -11.879 3.826 -10.063 1.00 70.11 H new ATOM 0 HB2 GLU A 50 -13.103 2.172 -8.717 1.00 55.43 H new ATOM 0 HB3 GLU A 50 -13.767 2.339 -10.330 1.00 55.43 H new ATOM 0 HG2 GLU A 50 -11.967 0.056 -9.421 1.00 54.21 H new ATOM 0 HG3 GLU A 50 -13.715 -0.021 -9.515 1.00 54.21 H new ATOM 800 N VAL A 51 -9.642 1.497 -9.750 1.00 65.30 N ATOM 801 CA VAL A 51 -8.632 1.025 -8.842 1.00 72.21 C ATOM 802 C VAL A 51 -7.474 2.001 -8.788 1.00 15.11 C ATOM 803 O VAL A 51 -6.936 2.454 -9.816 1.00 61.50 O ATOM 804 CB VAL A 51 -8.115 -0.393 -9.240 1.00 70.55 C ATOM 805 CG1 VAL A 51 -7.063 -0.899 -8.256 1.00 51.13 C ATOM 806 CG2 VAL A 51 -9.272 -1.377 -9.328 1.00 20.43 C ATOM 0 H VAL A 51 -9.641 1.077 -10.679 1.00 65.30 H new ATOM 0 HA VAL A 51 -9.088 0.951 -7.855 1.00 72.21 H new ATOM 0 HB VAL A 51 -7.646 -0.312 -10.221 1.00 70.55 H new ATOM 0 HG11 VAL A 51 -6.724 -1.889 -8.562 1.00 51.13 H new ATOM 0 HG12 VAL A 51 -6.216 -0.213 -8.244 1.00 51.13 H new ATOM 0 HG13 VAL A 51 -7.497 -0.957 -7.258 1.00 51.13 H new ATOM 0 HG21 VAL A 51 -8.893 -2.360 -9.607 1.00 20.43 H new ATOM 0 HG22 VAL A 51 -9.770 -1.441 -8.360 1.00 20.43 H new ATOM 0 HG23 VAL A 51 -9.983 -1.036 -10.080 1.00 20.43 H new ATOM 816 N SER A 52 -7.128 2.320 -7.579 1.00 24.34 N ATOM 817 CA SER A 52 -6.108 3.254 -7.243 1.00 72.03 C ATOM 818 C SER A 52 -5.355 2.731 -6.007 1.00 24.31 C ATOM 819 O SER A 52 -5.722 1.699 -5.447 1.00 23.31 O ATOM 820 CB SER A 52 -6.793 4.578 -6.907 1.00 44.44 C ATOM 821 OG SER A 52 -7.712 4.938 -7.940 1.00 15.34 O ATOM 0 H SER A 52 -7.576 1.911 -6.759 1.00 24.34 H new ATOM 0 HA SER A 52 -5.403 3.389 -8.064 1.00 72.03 H new ATOM 0 HB2 SER A 52 -7.320 4.492 -5.957 1.00 44.44 H new ATOM 0 HB3 SER A 52 -6.045 5.362 -6.787 1.00 44.44 H new ATOM 0 HG SER A 52 -8.598 4.574 -7.731 1.00 15.34 H new ATOM 827 N PHE A 53 -4.308 3.414 -5.607 1.00 52.53 N ATOM 828 CA PHE A 53 -3.566 3.060 -4.412 1.00 31.23 C ATOM 829 C PHE A 53 -2.869 4.310 -3.905 1.00 32.10 C ATOM 830 O PHE A 53 -2.830 5.294 -4.609 1.00 21.13 O ATOM 831 CB PHE A 53 -2.538 1.923 -4.683 1.00 43.24 C ATOM 832 CG PHE A 53 -1.457 2.270 -5.674 1.00 53.33 C ATOM 833 CD1 PHE A 53 -0.393 3.051 -5.284 1.00 73.44 C ATOM 834 CD2 PHE A 53 -1.506 1.817 -6.982 1.00 42.05 C ATOM 835 CE1 PHE A 53 0.591 3.385 -6.152 1.00 30.45 C ATOM 836 CE2 PHE A 53 -0.503 2.147 -7.872 1.00 42.13 C ATOM 837 CZ PHE A 53 0.548 2.935 -7.457 1.00 71.35 C ATOM 0 H PHE A 53 -3.944 4.231 -6.098 1.00 52.53 H new ATOM 0 HA PHE A 53 -4.255 2.678 -3.659 1.00 31.23 H new ATOM 0 HB2 PHE A 53 -2.070 1.643 -3.739 1.00 43.24 H new ATOM 0 HB3 PHE A 53 -3.075 1.046 -5.045 1.00 43.24 H new ATOM 0 HD1 PHE A 53 -0.342 3.405 -4.265 1.00 73.44 H new ATOM 0 HD2 PHE A 53 -2.333 1.203 -7.307 1.00 42.05 H new ATOM 0 HE1 PHE A 53 1.412 4.005 -5.823 1.00 30.45 H new ATOM 0 HE2 PHE A 53 -0.542 1.789 -8.890 1.00 42.13 H new ATOM 0 HZ PHE A 53 1.334 3.199 -8.149 1.00 71.35 H new ATOM 847 N HIS A 54 -2.303 4.270 -2.729 1.00 74.23 N ATOM 848 CA HIS A 54 -1.639 5.449 -2.191 1.00 33.32 C ATOM 849 C HIS A 54 -0.183 5.486 -2.538 1.00 74.24 C ATOM 850 O HIS A 54 0.269 6.385 -3.248 1.00 65.12 O ATOM 851 CB HIS A 54 -1.798 5.576 -0.669 1.00 5.11 C ATOM 852 CG HIS A 54 -3.181 5.859 -0.185 1.00 2.13 C ATOM 853 ND1 HIS A 54 -4.058 4.852 0.100 1.00 63.31 N ATOM 854 CD2 HIS A 54 -3.768 7.055 0.084 1.00 11.31 C ATOM 855 CE1 HIS A 54 -5.159 5.458 0.539 1.00 3.12 C ATOM 856 NE2 HIS A 54 -5.024 6.778 0.543 1.00 64.34 N ATOM 0 H HIS A 54 -2.282 3.449 -2.124 1.00 74.23 H new ATOM 0 HA HIS A 54 -2.137 6.297 -2.662 1.00 33.32 H new ATOM 0 HB2 HIS A 54 -1.453 4.651 -0.208 1.00 5.11 H new ATOM 0 HB3 HIS A 54 -1.140 6.371 -0.318 1.00 5.11 H new ATOM 0 HD2 HIS A 54 -3.327 8.033 -0.041 1.00 11.31 H new ATOM 0 HE1 HIS A 54 -6.052 4.939 0.853 1.00 3.12 H new ATOM 0 HE2 HIS A 54 -5.726 7.458 0.834 1.00 64.34 H new ATOM 864 N ILE A 55 0.545 4.519 -2.064 1.00 41.43 N ATOM 865 CA ILE A 55 1.976 4.544 -2.182 1.00 42.01 C ATOM 866 C ILE A 55 2.473 3.291 -2.863 1.00 53.21 C ATOM 867 O ILE A 55 2.072 2.178 -2.512 1.00 2.30 O ATOM 868 CB ILE A 55 2.637 4.636 -0.777 1.00 52.40 C ATOM 869 CG1 ILE A 55 2.049 5.811 0.029 1.00 30.04 C ATOM 870 CG2 ILE A 55 4.132 4.872 -0.963 1.00 61.01 C ATOM 871 CD1 ILE A 55 2.298 5.753 1.520 1.00 2.22 C ATOM 0 H ILE A 55 0.171 3.698 -1.589 1.00 41.43 H new ATOM 0 HA ILE A 55 2.245 5.418 -2.775 1.00 42.01 H new ATOM 0 HB ILE A 55 2.449 3.709 -0.234 1.00 52.40 H new ATOM 0 HG12 ILE A 55 2.465 6.741 -0.358 1.00 30.04 H new ATOM 0 HG13 ILE A 55 0.973 5.847 -0.143 1.00 30.04 H new ATOM 0 HG21 ILE A 55 4.614 4.939 0.012 1.00 61.01 H new ATOM 0 HG22 ILE A 55 4.564 4.044 -1.525 1.00 61.01 H new ATOM 0 HG23 ILE A 55 4.288 5.802 -1.510 1.00 61.01 H new ATOM 0 HD11 ILE A 55 1.846 6.622 1.998 1.00 2.22 H new ATOM 0 HD12 ILE A 55 1.856 4.844 1.928 1.00 2.22 H new ATOM 0 HD13 ILE A 55 3.371 5.751 1.710 1.00 2.22 H new ATOM 883 N ALA A 56 3.320 3.473 -3.823 1.00 62.21 N ATOM 884 CA ALA A 56 3.961 2.363 -4.496 1.00 65.43 C ATOM 885 C ALA A 56 5.417 2.359 -4.133 1.00 23.14 C ATOM 886 O ALA A 56 6.084 3.387 -4.221 1.00 20.03 O ATOM 887 CB ALA A 56 3.810 2.458 -6.001 1.00 45.02 C ATOM 0 H ALA A 56 3.595 4.391 -4.172 1.00 62.21 H new ATOM 0 HA ALA A 56 3.482 1.438 -4.176 1.00 65.43 H new ATOM 0 HB1 ALA A 56 4.304 1.607 -6.471 1.00 45.02 H new ATOM 0 HB2 ALA A 56 2.752 2.452 -6.262 1.00 45.02 H new ATOM 0 HB3 ALA A 56 4.266 3.383 -6.355 1.00 45.02 H new ATOM 893 N VAL A 57 5.904 1.245 -3.697 1.00 1.23 N ATOM 894 CA VAL A 57 7.294 1.125 -3.330 1.00 50.14 C ATOM 895 C VAL A 57 7.984 0.058 -4.175 1.00 70.34 C ATOM 896 O VAL A 57 7.495 -1.077 -4.274 1.00 3.02 O ATOM 897 CB VAL A 57 7.448 0.762 -1.834 1.00 21.40 C ATOM 898 CG1 VAL A 57 8.906 0.691 -1.455 1.00 12.25 C ATOM 899 CG2 VAL A 57 6.722 1.762 -0.951 1.00 25.15 C ATOM 0 H VAL A 57 5.360 0.390 -3.582 1.00 1.23 H new ATOM 0 HA VAL A 57 7.762 2.093 -3.511 1.00 50.14 H new ATOM 0 HB VAL A 57 6.997 -0.218 -1.678 1.00 21.40 H new ATOM 0 HG11 VAL A 57 8.995 0.435 -0.399 1.00 12.25 H new ATOM 0 HG12 VAL A 57 9.402 -0.071 -2.057 1.00 12.25 H new ATOM 0 HG13 VAL A 57 9.376 1.658 -1.635 1.00 12.25 H new ATOM 0 HG21 VAL A 57 6.847 1.482 0.095 1.00 25.15 H new ATOM 0 HG22 VAL A 57 7.136 2.757 -1.112 1.00 25.15 H new ATOM 0 HG23 VAL A 57 5.661 1.765 -1.201 1.00 25.15 H new ATOM 909 N ASP A 58 9.096 0.415 -4.796 1.00 23.44 N ATOM 910 CA ASP A 58 9.861 -0.547 -5.550 1.00 70.31 C ATOM 911 C ASP A 58 11.265 -0.645 -4.961 1.00 71.52 C ATOM 912 O ASP A 58 11.564 -0.024 -3.931 1.00 72.24 O ATOM 913 CB ASP A 58 9.906 -0.242 -7.089 1.00 60.04 C ATOM 914 CG ASP A 58 10.946 0.759 -7.570 1.00 11.32 C ATOM 915 OD1 ASP A 58 12.065 0.325 -7.893 1.00 63.41 O ATOM 916 OD2 ASP A 58 10.643 1.945 -7.705 1.00 14.21 O ATOM 0 H ASP A 58 9.482 1.359 -4.790 1.00 23.44 H new ATOM 0 HA ASP A 58 9.356 -1.509 -5.464 1.00 70.31 H new ATOM 0 HB2 ASP A 58 10.074 -1.182 -7.615 1.00 60.04 H new ATOM 0 HB3 ASP A 58 8.923 0.121 -7.390 1.00 60.04 H new ATOM 921 N ASP A 59 12.093 -1.442 -5.583 1.00 65.53 N ATOM 922 CA ASP A 59 13.487 -1.647 -5.146 1.00 60.34 C ATOM 923 C ASP A 59 14.303 -0.360 -5.189 1.00 40.14 C ATOM 924 O ASP A 59 15.189 -0.134 -4.353 1.00 64.14 O ATOM 925 CB ASP A 59 14.160 -2.759 -5.982 1.00 31.43 C ATOM 926 CG ASP A 59 15.666 -2.612 -6.096 1.00 15.23 C ATOM 927 OD1 ASP A 59 16.387 -3.010 -5.192 1.00 10.32 O ATOM 928 OD2 ASP A 59 16.136 -2.096 -7.131 1.00 1.51 O ATOM 0 H ASP A 59 11.838 -1.978 -6.412 1.00 65.53 H new ATOM 0 HA ASP A 59 13.456 -1.965 -4.104 1.00 60.34 H new ATOM 0 HB2 ASP A 59 13.931 -3.726 -5.534 1.00 31.43 H new ATOM 0 HB3 ASP A 59 13.728 -2.761 -6.983 1.00 31.43 H new ATOM 933 N LYS A 60 13.973 0.476 -6.114 1.00 42.42 N ATOM 934 CA LYS A 60 14.669 1.710 -6.338 1.00 13.45 C ATOM 935 C LYS A 60 14.059 2.843 -5.521 1.00 61.25 C ATOM 936 O LYS A 60 14.691 3.369 -4.599 1.00 55.33 O ATOM 937 CB LYS A 60 14.621 2.030 -7.842 1.00 5.32 C ATOM 938 CG LYS A 60 15.168 3.377 -8.277 1.00 21.20 C ATOM 939 CD LYS A 60 16.640 3.545 -7.972 1.00 22.24 C ATOM 940 CE LYS A 60 17.132 4.880 -8.499 1.00 32.20 C ATOM 941 NZ LYS A 60 18.557 5.119 -8.199 1.00 31.40 N ATOM 0 H LYS A 60 13.194 0.322 -6.754 1.00 42.42 H new ATOM 0 HA LYS A 60 15.705 1.607 -6.015 1.00 13.45 H new ATOM 0 HB2 LYS A 60 15.173 1.253 -8.371 1.00 5.32 H new ATOM 0 HB3 LYS A 60 13.584 1.964 -8.170 1.00 5.32 H new ATOM 0 HG2 LYS A 60 15.009 3.499 -9.348 1.00 21.20 H new ATOM 0 HG3 LYS A 60 14.607 4.168 -7.780 1.00 21.20 H new ATOM 0 HD2 LYS A 60 16.806 3.486 -6.896 1.00 22.24 H new ATOM 0 HD3 LYS A 60 17.209 2.734 -8.427 1.00 22.24 H new ATOM 0 HE2 LYS A 60 16.980 4.919 -9.578 1.00 32.20 H new ATOM 0 HE3 LYS A 60 16.534 5.681 -8.064 1.00 32.20 H new ATOM 0 HZ1 LYS A 60 18.842 6.044 -8.581 1.00 31.40 H new ATOM 0 HZ2 LYS A 60 18.701 5.110 -7.169 1.00 31.40 H new ATOM 0 HZ3 LYS A 60 19.134 4.372 -8.636 1.00 31.40 H new ATOM 955 N LYS A 61 12.843 3.195 -5.837 1.00 35.54 N ATOM 956 CA LYS A 61 12.206 4.335 -5.249 1.00 15.51 C ATOM 957 C LYS A 61 10.797 4.041 -4.759 1.00 41.14 C ATOM 958 O LYS A 61 10.207 3.022 -5.091 1.00 21.13 O ATOM 959 CB LYS A 61 12.286 5.527 -6.216 1.00 12.01 C ATOM 960 CG LYS A 61 11.912 5.180 -7.648 1.00 44.12 C ATOM 961 CD LYS A 61 12.159 6.341 -8.592 1.00 51.31 C ATOM 962 CE LYS A 61 11.912 5.922 -10.025 1.00 73.55 C ATOM 963 NZ LYS A 61 12.218 6.997 -10.990 1.00 44.24 N ATOM 0 H LYS A 61 12.266 2.695 -6.513 1.00 35.54 H new ATOM 0 HA LYS A 61 12.749 4.605 -4.343 1.00 15.51 H new ATOM 0 HB2 LYS A 61 11.626 6.318 -5.859 1.00 12.01 H new ATOM 0 HB3 LYS A 61 13.300 5.927 -6.202 1.00 12.01 H new ATOM 0 HG2 LYS A 61 12.490 4.316 -7.975 1.00 44.12 H new ATOM 0 HG3 LYS A 61 10.861 4.895 -7.690 1.00 44.12 H new ATOM 0 HD2 LYS A 61 11.505 7.173 -8.333 1.00 51.31 H new ATOM 0 HD3 LYS A 61 13.184 6.695 -8.482 1.00 51.31 H new ATOM 0 HE2 LYS A 61 12.521 5.048 -10.255 1.00 73.55 H new ATOM 0 HE3 LYS A 61 10.870 5.623 -10.138 1.00 73.55 H new ATOM 0 HZ1 LYS A 61 12.130 6.629 -11.959 1.00 44.24 H new ATOM 0 HZ2 LYS A 61 11.551 7.784 -10.857 1.00 44.24 H new ATOM 0 HZ3 LYS A 61 13.189 7.337 -10.835 1.00 44.24 H new ATOM 977 N ALA A 62 10.298 4.906 -3.928 1.00 12.43 N ATOM 978 CA ALA A 62 8.963 4.790 -3.396 1.00 24.12 C ATOM 979 C ALA A 62 8.230 6.035 -3.765 1.00 62.11 C ATOM 980 O ALA A 62 8.704 7.119 -3.502 1.00 70.42 O ATOM 981 CB ALA A 62 8.999 4.636 -1.884 1.00 15.41 C ATOM 0 H ALA A 62 10.808 5.723 -3.593 1.00 12.43 H new ATOM 0 HA ALA A 62 8.468 3.909 -3.805 1.00 24.12 H new ATOM 0 HB1 ALA A 62 7.981 4.550 -1.503 1.00 15.41 H new ATOM 0 HB2 ALA A 62 9.561 3.739 -1.623 1.00 15.41 H new ATOM 0 HB3 ALA A 62 9.480 5.508 -1.441 1.00 15.41 H new ATOM 987 N ILE A 63 7.094 5.898 -4.363 1.00 32.41 N ATOM 988 CA ILE A 63 6.373 7.042 -4.843 1.00 53.44 C ATOM 989 C ILE A 63 4.970 7.021 -4.312 1.00 44.41 C ATOM 990 O ILE A 63 4.309 5.984 -4.332 1.00 74.52 O ATOM 991 CB ILE A 63 6.320 7.157 -6.430 1.00 1.51 C ATOM 992 CG1 ILE A 63 7.708 7.276 -7.097 1.00 54.24 C ATOM 993 CG2 ILE A 63 5.473 8.335 -6.857 1.00 20.23 C ATOM 994 CD1 ILE A 63 8.556 6.046 -7.064 1.00 54.11 C ATOM 0 H ILE A 63 6.638 5.002 -4.534 1.00 32.41 H new ATOM 0 HA ILE A 63 6.921 7.911 -4.480 1.00 53.44 H new ATOM 0 HB ILE A 63 5.876 6.221 -6.768 1.00 1.51 H new ATOM 0 HG12 ILE A 63 7.566 7.568 -8.138 1.00 54.24 H new ATOM 0 HG13 ILE A 63 8.255 8.084 -6.611 1.00 54.24 H new ATOM 0 HG21 ILE A 63 5.452 8.393 -7.945 1.00 20.23 H new ATOM 0 HG22 ILE A 63 4.458 8.209 -6.481 1.00 20.23 H new ATOM 0 HG23 ILE A 63 5.898 9.254 -6.453 1.00 20.23 H new ATOM 0 HD11 ILE A 63 9.506 6.245 -7.560 1.00 54.11 H new ATOM 0 HD12 ILE A 63 8.741 5.759 -6.029 1.00 54.11 H new ATOM 0 HD13 ILE A 63 8.041 5.235 -7.579 1.00 54.11 H new ATOM 1006 N GLN A 64 4.516 8.138 -3.831 1.00 74.43 N ATOM 1007 CA GLN A 64 3.161 8.222 -3.402 1.00 64.21 C ATOM 1008 C GLN A 64 2.363 8.998 -4.433 1.00 60.20 C ATOM 1009 O GLN A 64 2.849 10.005 -4.980 1.00 2.45 O ATOM 1010 CB GLN A 64 3.039 8.893 -2.060 1.00 54.52 C ATOM 1011 CG GLN A 64 1.649 8.788 -1.508 1.00 61.23 C ATOM 1012 CD GLN A 64 1.457 9.568 -0.245 1.00 71.23 C ATOM 1013 OE1 GLN A 64 2.387 9.762 0.537 1.00 71.52 O ATOM 1014 NE2 GLN A 64 0.260 9.994 -0.023 1.00 73.20 N ATOM 0 H GLN A 64 5.061 8.994 -3.728 1.00 74.43 H new ATOM 0 HA GLN A 64 2.772 7.209 -3.301 1.00 64.21 H new ATOM 0 HB2 GLN A 64 3.742 8.439 -1.362 1.00 54.52 H new ATOM 0 HB3 GLN A 64 3.315 9.943 -2.153 1.00 54.52 H new ATOM 0 HG2 GLN A 64 0.940 9.141 -2.257 1.00 61.23 H new ATOM 0 HG3 GLN A 64 1.418 7.740 -1.319 1.00 61.23 H new ATOM 0 HE21 GLN A 64 -0.481 9.810 -0.700 1.00 73.20 H new ATOM 0 HE22 GLN A 64 0.054 10.515 0.829 1.00 73.20 H new ATOM 1023 N GLY A 65 1.160 8.537 -4.698 1.00 43.43 N ATOM 1024 CA GLY A 65 0.338 9.177 -5.710 1.00 42.23 C ATOM 1025 C GLY A 65 -1.045 9.605 -5.228 1.00 51.51 C ATOM 1026 O GLY A 65 -1.647 10.493 -5.793 1.00 53.52 O ATOM 0 H GLY A 65 0.731 7.734 -4.237 1.00 43.43 H new ATOM 0 HA2 GLY A 65 0.865 10.054 -6.086 1.00 42.23 H new ATOM 0 HA3 GLY A 65 0.220 8.492 -6.550 1.00 42.23 H new ATOM 1030 N ILE A 66 -1.559 8.991 -4.211 1.00 12.02 N ATOM 1031 CA ILE A 66 -2.856 9.409 -3.687 1.00 43.23 C ATOM 1032 C ILE A 66 -2.683 9.925 -2.279 1.00 74.14 C ATOM 1033 O ILE A 66 -1.949 9.322 -1.493 1.00 24.11 O ATOM 1034 CB ILE A 66 -3.917 8.263 -3.763 1.00 20.11 C ATOM 1035 CG1 ILE A 66 -4.192 7.898 -5.224 1.00 73.44 C ATOM 1036 CG2 ILE A 66 -5.222 8.604 -3.035 1.00 50.42 C ATOM 1037 CD1 ILE A 66 -4.763 9.008 -6.041 1.00 73.31 C ATOM 0 H ILE A 66 -1.124 8.209 -3.721 1.00 12.02 H new ATOM 0 HA ILE A 66 -3.242 10.215 -4.312 1.00 43.23 H new ATOM 0 HB ILE A 66 -3.494 7.402 -3.246 1.00 20.11 H new ATOM 0 HG12 ILE A 66 -3.261 7.567 -5.684 1.00 73.44 H new ATOM 0 HG13 ILE A 66 -4.880 7.053 -5.251 1.00 73.44 H new ATOM 0 HG21 ILE A 66 -5.917 7.769 -3.124 1.00 50.42 H new ATOM 0 HG22 ILE A 66 -5.013 8.791 -1.982 1.00 50.42 H new ATOM 0 HG23 ILE A 66 -5.665 9.495 -3.481 1.00 50.42 H new ATOM 0 HD11 ILE A 66 -4.926 8.662 -7.062 1.00 73.31 H new ATOM 0 HD12 ILE A 66 -5.712 9.326 -5.610 1.00 73.31 H new ATOM 0 HD13 ILE A 66 -4.068 9.848 -6.049 1.00 73.31 H new ATOM 1049 N PRO A 67 -3.299 11.089 -1.952 1.00 22.34 N ATOM 1050 CA PRO A 67 -3.198 11.680 -0.623 1.00 71.00 C ATOM 1051 C PRO A 67 -3.787 10.763 0.444 1.00 30.51 C ATOM 1052 O PRO A 67 -4.913 10.275 0.320 1.00 53.13 O ATOM 1053 CB PRO A 67 -3.995 12.985 -0.733 1.00 15.30 C ATOM 1054 CG PRO A 67 -4.886 12.789 -1.903 1.00 51.32 C ATOM 1055 CD PRO A 67 -4.141 11.905 -2.850 1.00 43.22 C ATOM 0 HA PRO A 67 -2.163 11.845 -0.322 1.00 71.00 H new ATOM 0 HB2 PRO A 67 -4.569 13.175 0.174 1.00 15.30 H new ATOM 0 HB3 PRO A 67 -3.335 13.840 -0.878 1.00 15.30 H new ATOM 0 HG2 PRO A 67 -5.828 12.331 -1.602 1.00 51.32 H new ATOM 0 HG3 PRO A 67 -5.130 13.743 -2.371 1.00 51.32 H new ATOM 0 HD2 PRO A 67 -4.817 11.287 -3.441 1.00 43.22 H new ATOM 0 HD3 PRO A 67 -3.540 12.482 -3.553 1.00 43.22 H new ATOM 1063 N LEU A 68 -3.021 10.565 1.485 1.00 52.14 N ATOM 1064 CA LEU A 68 -3.338 9.643 2.567 1.00 20.45 C ATOM 1065 C LEU A 68 -4.577 10.024 3.356 1.00 74.02 C ATOM 1066 O LEU A 68 -5.126 9.204 4.061 1.00 14.30 O ATOM 1067 CB LEU A 68 -2.141 9.527 3.479 1.00 62.41 C ATOM 1068 CG LEU A 68 -0.921 8.862 2.864 1.00 43.11 C ATOM 1069 CD1 LEU A 68 0.287 9.067 3.749 1.00 23.43 C ATOM 1070 CD2 LEU A 68 -1.182 7.373 2.672 1.00 40.50 C ATOM 0 H LEU A 68 -2.133 11.049 1.616 1.00 52.14 H new ATOM 0 HA LEU A 68 -3.570 8.680 2.112 1.00 20.45 H new ATOM 0 HB2 LEU A 68 -1.861 10.526 3.813 1.00 62.41 H new ATOM 0 HB3 LEU A 68 -2.433 8.965 4.366 1.00 62.41 H new ATOM 0 HG LEU A 68 -0.724 9.316 1.893 1.00 43.11 H new ATOM 0 HD11 LEU A 68 1.155 8.586 3.298 1.00 23.43 H new ATOM 0 HD12 LEU A 68 0.480 10.134 3.859 1.00 23.43 H new ATOM 0 HD13 LEU A 68 0.098 8.629 4.729 1.00 23.43 H new ATOM 0 HD21 LEU A 68 -0.303 6.903 2.231 1.00 40.50 H new ATOM 0 HD22 LEU A 68 -1.393 6.913 3.637 1.00 40.50 H new ATOM 0 HD23 LEU A 68 -2.037 7.236 2.010 1.00 40.50 H new ATOM 1082 N GLU A 69 -5.018 11.257 3.243 1.00 41.44 N ATOM 1083 CA GLU A 69 -6.214 11.657 3.950 1.00 22.15 C ATOM 1084 C GLU A 69 -7.432 11.578 3.054 1.00 75.43 C ATOM 1085 O GLU A 69 -8.492 12.171 3.325 1.00 43.30 O ATOM 1086 CB GLU A 69 -6.055 13.007 4.632 1.00 24.31 C ATOM 1087 CG GLU A 69 -4.988 12.969 5.715 1.00 34.31 C ATOM 1088 CD GLU A 69 -4.924 14.218 6.533 1.00 32.12 C ATOM 1089 OE1 GLU A 69 -5.682 14.325 7.515 1.00 44.22 O ATOM 1090 OE2 GLU A 69 -4.100 15.092 6.237 1.00 64.31 O ATOM 0 H GLU A 69 -4.578 11.986 2.681 1.00 41.44 H new ATOM 0 HA GLU A 69 -6.377 10.943 4.758 1.00 22.15 H new ATOM 0 HB2 GLU A 69 -5.793 13.761 3.890 1.00 24.31 H new ATOM 0 HB3 GLU A 69 -7.007 13.308 5.070 1.00 24.31 H new ATOM 0 HG2 GLU A 69 -5.180 12.122 6.374 1.00 34.31 H new ATOM 0 HG3 GLU A 69 -4.017 12.798 5.251 1.00 34.31 H new ATOM 1097 N ARG A 70 -7.288 10.822 2.002 1.00 51.51 N ATOM 1098 CA ARG A 70 -8.364 10.486 1.128 1.00 3.11 C ATOM 1099 C ARG A 70 -8.410 9.003 0.908 1.00 62.22 C ATOM 1100 O ARG A 70 -7.463 8.287 1.260 1.00 73.33 O ATOM 1101 CB ARG A 70 -8.373 11.231 -0.202 1.00 74.42 C ATOM 1102 CG ARG A 70 -8.809 12.677 -0.126 1.00 4.13 C ATOM 1103 CD ARG A 70 -7.706 13.627 0.315 1.00 23.15 C ATOM 1104 NE ARG A 70 -8.190 15.015 0.363 1.00 4.01 N ATOM 1105 CZ ARG A 70 -7.768 16.012 -0.441 1.00 54.54 C ATOM 1106 NH1 ARG A 70 -6.824 15.794 -1.357 1.00 40.03 N ATOM 1107 NH2 ARG A 70 -8.291 17.217 -0.329 1.00 51.24 N ATOM 0 H ARG A 70 -6.394 10.415 1.726 1.00 51.51 H new ATOM 0 HA ARG A 70 -9.267 10.819 1.639 1.00 3.11 H new ATOM 0 HB2 ARG A 70 -7.371 11.192 -0.629 1.00 74.42 H new ATOM 0 HB3 ARG A 70 -9.034 10.705 -0.891 1.00 74.42 H new ATOM 0 HG2 ARG A 70 -9.175 12.989 -1.104 1.00 4.13 H new ATOM 0 HG3 ARG A 70 -9.646 12.759 0.568 1.00 4.13 H new ATOM 0 HD2 ARG A 70 -7.340 13.332 1.298 1.00 23.15 H new ATOM 0 HD3 ARG A 70 -6.864 13.556 -0.373 1.00 23.15 H new ATOM 0 HE ARG A 70 -8.901 15.241 1.059 1.00 4.01 H new ATOM 0 HH11 ARG A 70 -6.413 14.866 -1.455 1.00 40.03 H new ATOM 0 HH12 ARG A 70 -6.513 16.556 -1.960 1.00 40.03 H new ATOM 0 HH21 ARG A 70 -9.016 17.396 0.366 1.00 51.24 H new ATOM 0 HH22 ARG A 70 -7.971 17.970 -0.938 1.00 51.24 H new ATOM 1121 N ASN A 71 -9.495 8.544 0.335 1.00 54.21 N ATOM 1122 CA ASN A 71 -9.707 7.126 0.140 1.00 33.51 C ATOM 1123 C ASN A 71 -8.929 6.651 -1.076 1.00 45.12 C ATOM 1124 O ASN A 71 -8.408 7.450 -1.833 1.00 51.52 O ATOM 1125 CB ASN A 71 -11.216 6.825 -0.078 1.00 41.13 C ATOM 1126 CG ASN A 71 -11.737 7.163 -1.476 1.00 53.32 C ATOM 1127 OD1 ASN A 71 -12.170 8.268 -1.752 1.00 41.33 O ATOM 1128 ND2 ASN A 71 -11.735 6.183 -2.345 1.00 42.32 N ATOM 0 H ASN A 71 -10.252 9.135 -0.008 1.00 54.21 H new ATOM 0 HA ASN A 71 -9.361 6.602 1.031 1.00 33.51 H new ATOM 0 HB2 ASN A 71 -11.394 5.767 0.116 1.00 41.13 H new ATOM 0 HB3 ASN A 71 -11.795 7.385 0.656 1.00 41.13 H new ATOM 0 HD21 ASN A 71 -12.103 6.333 -3.284 1.00 42.32 H new ATOM 0 HD22 ASN A 71 -11.365 5.269 -2.082 1.00 42.32 H new ATOM 1135 N ALA A 72 -8.857 5.367 -1.249 1.00 22.45 N ATOM 1136 CA ALA A 72 -8.262 4.797 -2.418 1.00 1.23 C ATOM 1137 C ALA A 72 -9.004 3.551 -2.749 1.00 61.45 C ATOM 1138 O ALA A 72 -9.121 2.660 -1.907 1.00 41.41 O ATOM 1139 CB ALA A 72 -6.792 4.481 -2.204 1.00 22.42 C ATOM 0 H ALA A 72 -9.211 4.682 -0.581 1.00 22.45 H new ATOM 0 HA ALA A 72 -8.321 5.516 -3.235 1.00 1.23 H new ATOM 0 HB1 ALA A 72 -6.376 4.050 -3.115 1.00 22.42 H new ATOM 0 HB2 ALA A 72 -6.255 5.397 -1.958 1.00 22.42 H new ATOM 0 HB3 ALA A 72 -6.688 3.769 -1.385 1.00 22.42 H new ATOM 1145 N TRP A 73 -9.550 3.476 -3.941 1.00 3.22 N ATOM 1146 CA TRP A 73 -10.245 2.275 -4.320 1.00 53.25 C ATOM 1147 C TRP A 73 -9.207 1.255 -4.642 1.00 0.44 C ATOM 1148 O TRP A 73 -8.582 1.330 -5.665 1.00 1.32 O ATOM 1149 CB TRP A 73 -11.055 2.492 -5.577 1.00 72.41 C ATOM 1150 CG TRP A 73 -12.023 3.632 -5.569 1.00 55.51 C ATOM 1151 CD1 TRP A 73 -12.125 4.589 -6.525 1.00 53.41 C ATOM 1152 CD2 TRP A 73 -12.985 3.964 -4.570 1.00 20.45 C ATOM 1153 NE1 TRP A 73 -13.110 5.472 -6.211 1.00 65.41 N ATOM 1154 CE2 TRP A 73 -13.653 5.118 -5.007 1.00 15.10 C ATOM 1155 CE3 TRP A 73 -13.351 3.398 -3.361 1.00 4.32 C ATOM 1156 CZ2 TRP A 73 -14.668 5.713 -4.270 1.00 23.24 C ATOM 1157 CZ3 TRP A 73 -14.357 3.990 -2.622 1.00 12.31 C ATOM 1158 CH2 TRP A 73 -15.005 5.140 -3.084 1.00 33.13 C ATOM 0 H TRP A 73 -9.527 4.213 -4.646 1.00 3.22 H new ATOM 0 HA TRP A 73 -10.909 1.971 -3.511 1.00 53.25 H new ATOM 0 HB2 TRP A 73 -10.363 2.641 -6.406 1.00 72.41 H new ATOM 0 HB3 TRP A 73 -11.610 1.577 -5.785 1.00 72.41 H new ATOM 0 HD1 TRP A 73 -11.510 4.642 -7.411 1.00 53.41 H new ATOM 0 HE1 TRP A 73 -13.397 6.268 -6.780 1.00 65.41 H new ATOM 0 HE3 TRP A 73 -12.858 2.507 -3.001 1.00 4.32 H new ATOM 0 HZ2 TRP A 73 -15.172 6.599 -4.626 1.00 23.24 H new ATOM 0 HZ3 TRP A 73 -14.647 3.559 -1.675 1.00 12.31 H new ATOM 0 HH2 TRP A 73 -15.789 5.582 -2.487 1.00 33.13 H new ATOM 1169 N ALA A 74 -9.016 0.324 -3.800 1.00 32.45 N ATOM 1170 CA ALA A 74 -7.968 -0.626 -4.038 1.00 63.34 C ATOM 1171 C ALA A 74 -8.438 -2.020 -3.938 1.00 14.43 C ATOM 1172 O ALA A 74 -8.034 -2.878 -4.708 1.00 35.21 O ATOM 1173 CB ALA A 74 -6.827 -0.399 -3.092 1.00 4.44 C ATOM 0 H ALA A 74 -9.554 0.184 -2.945 1.00 32.45 H new ATOM 0 HA ALA A 74 -7.627 -0.470 -5.061 1.00 63.34 H new ATOM 0 HB1 ALA A 74 -6.042 -1.129 -3.288 1.00 4.44 H new ATOM 0 HB2 ALA A 74 -6.431 0.607 -3.234 1.00 4.44 H new ATOM 0 HB3 ALA A 74 -7.178 -0.509 -2.066 1.00 4.44 H new ATOM 1179 N CYS A 75 -9.256 -2.266 -2.974 1.00 12.42 N ATOM 1180 CA CYS A 75 -9.718 -3.572 -2.721 1.00 21.21 C ATOM 1181 C CYS A 75 -10.971 -3.908 -3.512 1.00 32.25 C ATOM 1182 O CYS A 75 -11.250 -5.079 -3.793 1.00 23.30 O ATOM 1183 CB CYS A 75 -9.951 -3.764 -1.254 1.00 14.24 C ATOM 1184 SG CYS A 75 -10.498 -5.403 -0.855 1.00 53.23 S ATOM 0 H CYS A 75 -9.621 -1.557 -2.339 1.00 12.42 H new ATOM 0 HA CYS A 75 -8.941 -4.261 -3.054 1.00 21.21 H new ATOM 0 HB2 CYS A 75 -9.029 -3.552 -0.713 1.00 14.24 H new ATOM 0 HB3 CYS A 75 -10.694 -3.044 -0.911 1.00 14.24 H new ATOM 0 HG CYS A 75 -9.485 -6.114 -0.457 1.00 53.23 H new ATOM 1190 N GLY A 76 -11.720 -2.906 -3.857 1.00 44.15 N ATOM 1191 CA GLY A 76 -12.951 -3.146 -4.552 1.00 15.53 C ATOM 1192 C GLY A 76 -14.020 -3.563 -3.578 1.00 74.12 C ATOM 1193 O GLY A 76 -15.015 -4.173 -3.948 1.00 54.35 O ATOM 0 H GLY A 76 -11.506 -1.926 -3.673 1.00 44.15 H new ATOM 0 HA2 GLY A 76 -13.261 -2.245 -5.081 1.00 15.53 H new ATOM 0 HA3 GLY A 76 -12.809 -3.923 -5.303 1.00 15.53 H new ATOM 1197 N ASP A 77 -13.808 -3.219 -2.316 1.00 73.32 N ATOM 1198 CA ASP A 77 -14.741 -3.557 -1.252 1.00 54.24 C ATOM 1199 C ASP A 77 -15.839 -2.505 -1.155 1.00 53.43 C ATOM 1200 O ASP A 77 -16.770 -2.617 -0.348 1.00 44.24 O ATOM 1201 CB ASP A 77 -14.008 -3.717 0.091 1.00 53.41 C ATOM 1202 CG ASP A 77 -13.324 -2.440 0.563 1.00 35.21 C ATOM 1203 OD1 ASP A 77 -13.961 -1.618 1.209 1.00 62.24 O ATOM 1204 OD2 ASP A 77 -12.141 -2.263 0.279 1.00 33.45 O ATOM 0 H ASP A 77 -12.988 -2.700 -2.002 1.00 73.32 H new ATOM 0 HA ASP A 77 -15.205 -4.514 -1.492 1.00 54.24 H new ATOM 0 HB2 ASP A 77 -14.721 -4.040 0.849 1.00 53.41 H new ATOM 0 HB3 ASP A 77 -13.262 -4.507 -0.002 1.00 53.41 H new ATOM 1209 N GLY A 78 -15.709 -1.485 -1.987 1.00 1.53 N ATOM 1210 CA GLY A 78 -16.680 -0.437 -2.092 1.00 23.52 C ATOM 1211 C GLY A 78 -16.688 0.475 -0.900 1.00 51.10 C ATOM 1212 O GLY A 78 -15.895 1.410 -0.818 1.00 63.42 O ATOM 0 H GLY A 78 -14.911 -1.371 -2.612 1.00 1.53 H new ATOM 0 HA2 GLY A 78 -16.479 0.148 -2.989 1.00 23.52 H new ATOM 0 HA3 GLY A 78 -17.670 -0.877 -2.213 1.00 23.52 H new ATOM 1216 N ASN A 79 -17.592 0.230 -0.009 1.00 10.21 N ATOM 1217 CA ASN A 79 -17.718 1.025 1.210 1.00 24.34 C ATOM 1218 C ASN A 79 -17.336 0.195 2.424 1.00 42.42 C ATOM 1219 O ASN A 79 -17.502 0.634 3.567 1.00 14.03 O ATOM 1220 CB ASN A 79 -19.153 1.575 1.373 1.00 25.45 C ATOM 1221 CG ASN A 79 -20.215 0.496 1.536 1.00 32.13 C ATOM 1222 OD1 ASN A 79 -20.519 0.067 2.644 1.00 75.12 O ATOM 1223 ND2 ASN A 79 -20.793 0.062 0.449 1.00 74.03 N ATOM 0 H ASN A 79 -18.274 -0.524 -0.088 1.00 10.21 H new ATOM 0 HA ASN A 79 -17.037 1.872 1.129 1.00 24.34 H new ATOM 0 HB2 ASN A 79 -19.182 2.233 2.241 1.00 25.45 H new ATOM 0 HB3 ASN A 79 -19.399 2.184 0.503 1.00 25.45 H new ATOM 0 HD21 ASN A 79 -21.518 -0.653 0.508 1.00 74.03 H new ATOM 0 HD22 ASN A 79 -20.519 0.438 -0.459 1.00 74.03 H new ATOM 1230 N GLY A 80 -16.800 -0.986 2.162 1.00 42.42 N ATOM 1231 CA GLY A 80 -16.497 -1.944 3.201 1.00 51.45 C ATOM 1232 C GLY A 80 -15.473 -1.474 4.214 1.00 11.53 C ATOM 1233 O GLY A 80 -15.816 -1.203 5.370 1.00 14.02 O ATOM 0 H GLY A 80 -16.564 -1.303 1.222 1.00 42.42 H new ATOM 0 HA2 GLY A 80 -17.419 -2.195 3.726 1.00 51.45 H new ATOM 0 HA3 GLY A 80 -16.135 -2.861 2.737 1.00 51.45 H new ATOM 1237 N SER A 81 -14.235 -1.371 3.808 1.00 25.13 N ATOM 1238 CA SER A 81 -13.174 -1.003 4.719 1.00 35.33 C ATOM 1239 C SER A 81 -12.009 -0.300 4.026 1.00 63.14 C ATOM 1240 O SER A 81 -11.827 0.911 4.200 1.00 13.24 O ATOM 1241 CB SER A 81 -12.671 -2.226 5.516 1.00 41.54 C ATOM 1242 OG SER A 81 -13.713 -2.807 6.301 1.00 44.43 O ATOM 0 H SER A 81 -13.932 -1.537 2.848 1.00 25.13 H new ATOM 0 HA SER A 81 -13.609 -0.285 5.414 1.00 35.33 H new ATOM 0 HB2 SER A 81 -12.275 -2.972 4.827 1.00 41.54 H new ATOM 0 HB3 SER A 81 -11.850 -1.925 6.166 1.00 41.54 H new ATOM 0 HG SER A 81 -13.361 -3.579 6.791 1.00 44.43 H new ATOM 1248 N GLY A 82 -11.237 -1.027 3.223 1.00 23.52 N ATOM 1249 CA GLY A 82 -10.024 -0.433 2.691 1.00 54.45 C ATOM 1250 C GLY A 82 -10.238 0.581 1.605 1.00 33.13 C ATOM 1251 O GLY A 82 -9.480 1.557 1.534 1.00 11.43 O ATOM 0 H GLY A 82 -11.421 -1.989 2.938 1.00 23.52 H new ATOM 0 HA2 GLY A 82 -9.481 0.041 3.508 1.00 54.45 H new ATOM 0 HA3 GLY A 82 -9.387 -1.229 2.304 1.00 54.45 H new ATOM 1255 N ASN A 83 -11.243 0.380 0.763 1.00 34.32 N ATOM 1256 CA ASN A 83 -11.599 1.365 -0.263 1.00 74.32 C ATOM 1257 C ASN A 83 -11.817 2.755 0.313 1.00 40.51 C ATOM 1258 O ASN A 83 -11.632 3.763 -0.375 1.00 63.34 O ATOM 1259 CB ASN A 83 -12.825 0.929 -1.040 1.00 14.24 C ATOM 1260 CG ASN A 83 -12.511 0.116 -2.275 1.00 23.04 C ATOM 1261 OD1 ASN A 83 -11.507 -0.586 -2.355 1.00 75.23 O ATOM 1262 ND2 ASN A 83 -13.376 0.216 -3.254 1.00 33.21 N ATOM 0 H ASN A 83 -11.829 -0.455 0.766 1.00 34.32 H new ATOM 0 HA ASN A 83 -10.748 1.419 -0.942 1.00 74.32 H new ATOM 0 HB2 ASN A 83 -13.469 0.342 -0.385 1.00 14.24 H new ATOM 0 HB3 ASN A 83 -13.391 1.813 -1.333 1.00 14.24 H new ATOM 0 HD21 ASN A 83 -13.227 -0.300 -4.121 1.00 33.21 H new ATOM 0 HD22 ASN A 83 -14.199 0.810 -3.149 1.00 33.21 H new ATOM 1269 N ARG A 84 -12.220 2.809 1.563 1.00 2.53 N ATOM 1270 CA ARG A 84 -12.382 4.061 2.238 1.00 3.24 C ATOM 1271 C ARG A 84 -11.210 4.364 3.160 1.00 31.53 C ATOM 1272 O ARG A 84 -10.463 5.298 2.922 1.00 14.33 O ATOM 1273 CB ARG A 84 -13.699 4.138 3.016 1.00 73.42 C ATOM 1274 CG ARG A 84 -14.962 4.162 2.160 1.00 20.23 C ATOM 1275 CD ARG A 84 -14.992 5.373 1.208 1.00 32.41 C ATOM 1276 NE ARG A 84 -14.778 6.670 1.911 1.00 71.13 N ATOM 1277 CZ ARG A 84 -15.750 7.549 2.243 1.00 12.43 C ATOM 1278 NH1 ARG A 84 -17.019 7.247 2.049 1.00 13.31 N ATOM 1279 NH2 ARG A 84 -15.438 8.727 2.790 1.00 62.04 N ATOM 0 H ARG A 84 -12.441 1.990 2.129 1.00 2.53 H new ATOM 0 HA ARG A 84 -12.411 4.821 1.457 1.00 3.24 H new ATOM 0 HB2 ARG A 84 -13.754 3.284 3.691 1.00 73.42 H new ATOM 0 HB3 ARG A 84 -13.683 5.034 3.636 1.00 73.42 H new ATOM 0 HG2 ARG A 84 -15.023 3.242 1.578 1.00 20.23 H new ATOM 0 HG3 ARG A 84 -15.838 4.188 2.808 1.00 20.23 H new ATOM 0 HD2 ARG A 84 -14.223 5.248 0.445 1.00 32.41 H new ATOM 0 HD3 ARG A 84 -15.952 5.399 0.692 1.00 32.41 H new ATOM 0 HE ARG A 84 -13.820 6.914 2.162 1.00 71.13 H new ATOM 0 HH11 ARG A 84 -17.273 6.345 1.646 1.00 13.31 H new ATOM 0 HH12 ARG A 84 -17.747 7.915 2.302 1.00 13.31 H new ATOM 0 HH21 ARG A 84 -14.461 8.968 2.960 1.00 62.04 H new ATOM 0 HH22 ARG A 84 -16.176 9.386 3.038 1.00 62.04 H new ATOM 1293 N GLN A 85 -11.032 3.557 4.188 1.00 22.02 N ATOM 1294 CA GLN A 85 -10.049 3.860 5.227 1.00 35.20 C ATOM 1295 C GLN A 85 -8.808 2.971 5.226 1.00 41.13 C ATOM 1296 O GLN A 85 -8.356 2.555 6.292 1.00 74.25 O ATOM 1297 CB GLN A 85 -10.697 3.857 6.628 1.00 50.45 C ATOM 1298 CG GLN A 85 -11.523 2.620 6.937 1.00 41.21 C ATOM 1299 CD GLN A 85 -12.007 2.533 8.382 1.00 31.54 C ATOM 1300 OE1 GLN A 85 -12.232 1.444 8.902 1.00 23.15 O ATOM 1301 NE2 GLN A 85 -12.097 3.645 9.064 1.00 44.13 N ATOM 0 H GLN A 85 -11.549 2.689 4.332 1.00 22.02 H new ATOM 0 HA GLN A 85 -9.696 4.861 4.979 1.00 35.20 H new ATOM 0 HB2 GLN A 85 -9.912 3.951 7.378 1.00 50.45 H new ATOM 0 HB3 GLN A 85 -11.334 4.737 6.722 1.00 50.45 H new ATOM 0 HG2 GLN A 85 -12.388 2.600 6.274 1.00 41.21 H new ATOM 0 HG3 GLN A 85 -10.929 1.735 6.711 1.00 41.21 H new ATOM 0 HE21 GLN A 85 -11.905 4.538 8.611 1.00 44.13 H new ATOM 0 HE22 GLN A 85 -12.359 3.619 10.049 1.00 44.13 H new ATOM 1310 N SER A 86 -8.221 2.708 4.099 1.00 50.55 N ATOM 1311 CA SER A 86 -6.971 1.994 4.140 1.00 22.23 C ATOM 1312 C SER A 86 -5.985 2.642 3.254 1.00 22.44 C ATOM 1313 O SER A 86 -6.337 3.249 2.252 1.00 24.41 O ATOM 1314 CB SER A 86 -7.065 0.510 3.775 1.00 5.13 C ATOM 1315 OG SER A 86 -7.244 0.310 2.378 1.00 60.04 O ATOM 0 H SER A 86 -8.564 2.962 3.173 1.00 50.55 H new ATOM 0 HA SER A 86 -6.657 2.035 5.183 1.00 22.23 H new ATOM 0 HB2 SER A 86 -6.158 -0.000 4.100 1.00 5.13 H new ATOM 0 HB3 SER A 86 -7.897 0.057 4.315 1.00 5.13 H new ATOM 0 HG SER A 86 -7.780 1.042 2.009 1.00 60.04 H new ATOM 1321 N ILE A 87 -4.779 2.497 3.617 1.00 42.43 N ATOM 1322 CA ILE A 87 -3.686 2.987 2.855 1.00 22.31 C ATOM 1323 C ILE A 87 -3.237 1.880 1.968 1.00 71.14 C ATOM 1324 O ILE A 87 -2.827 0.827 2.438 1.00 53.54 O ATOM 1325 CB ILE A 87 -2.524 3.438 3.755 1.00 72.31 C ATOM 1326 CG1 ILE A 87 -3.000 4.573 4.654 1.00 2.12 C ATOM 1327 CG2 ILE A 87 -1.354 3.893 2.890 1.00 42.53 C ATOM 1328 CD1 ILE A 87 -2.013 5.005 5.706 1.00 2.32 C ATOM 0 H ILE A 87 -4.504 2.022 4.477 1.00 42.43 H new ATOM 0 HA ILE A 87 -4.001 3.858 2.280 1.00 22.31 H new ATOM 0 HB ILE A 87 -2.191 2.608 4.378 1.00 72.31 H new ATOM 0 HG12 ILE A 87 -3.244 5.433 4.030 1.00 2.12 H new ATOM 0 HG13 ILE A 87 -3.922 4.265 5.147 1.00 2.12 H new ATOM 0 HG21 ILE A 87 -0.531 4.212 3.530 1.00 42.53 H new ATOM 0 HG22 ILE A 87 -1.024 3.067 2.260 1.00 42.53 H new ATOM 0 HG23 ILE A 87 -1.669 4.726 2.261 1.00 42.53 H new ATOM 0 HD11 ILE A 87 -2.441 5.816 6.295 1.00 2.32 H new ATOM 0 HD12 ILE A 87 -1.786 4.163 6.359 1.00 2.32 H new ATOM 0 HD13 ILE A 87 -1.097 5.349 5.226 1.00 2.32 H new ATOM 1340 N SER A 88 -3.349 2.079 0.715 1.00 71.20 N ATOM 1341 CA SER A 88 -2.999 1.071 -0.202 1.00 50.22 C ATOM 1342 C SER A 88 -1.536 1.171 -0.565 1.00 35.44 C ATOM 1343 O SER A 88 -1.080 2.185 -1.109 1.00 73.01 O ATOM 1344 CB SER A 88 -3.879 1.189 -1.405 1.00 43.41 C ATOM 1345 OG SER A 88 -5.227 1.076 -1.011 1.00 1.40 O ATOM 0 H SER A 88 -3.686 2.945 0.295 1.00 71.20 H new ATOM 0 HA SER A 88 -3.148 0.089 0.246 1.00 50.22 H new ATOM 0 HB2 SER A 88 -3.712 2.146 -1.899 1.00 43.41 H new ATOM 0 HB3 SER A 88 -3.633 0.410 -2.127 1.00 43.41 H new ATOM 0 HG SER A 88 -5.745 1.809 -1.404 1.00 1.40 H new ATOM 1351 N VAL A 89 -0.819 0.129 -0.259 1.00 25.40 N ATOM 1352 CA VAL A 89 0.592 0.051 -0.525 1.00 75.44 C ATOM 1353 C VAL A 89 0.832 -0.992 -1.597 1.00 10.05 C ATOM 1354 O VAL A 89 0.366 -2.134 -1.487 1.00 2.23 O ATOM 1355 CB VAL A 89 1.393 -0.313 0.758 1.00 40.53 C ATOM 1356 CG1 VAL A 89 2.893 -0.380 0.474 1.00 52.40 C ATOM 1357 CG2 VAL A 89 1.106 0.697 1.862 1.00 61.05 C ATOM 0 H VAL A 89 -1.202 -0.704 0.189 1.00 25.40 H new ATOM 0 HA VAL A 89 0.938 1.027 -0.865 1.00 75.44 H new ATOM 0 HB VAL A 89 1.071 -1.300 1.089 1.00 40.53 H new ATOM 0 HG11 VAL A 89 3.426 -0.636 1.390 1.00 52.40 H new ATOM 0 HG12 VAL A 89 3.086 -1.140 -0.283 1.00 52.40 H new ATOM 0 HG13 VAL A 89 3.238 0.589 0.112 1.00 52.40 H new ATOM 0 HG21 VAL A 89 1.672 0.431 2.755 1.00 61.05 H new ATOM 0 HG22 VAL A 89 1.399 1.693 1.529 1.00 61.05 H new ATOM 0 HG23 VAL A 89 0.041 0.691 2.093 1.00 61.05 H new ATOM 1367 N GLU A 90 1.510 -0.596 -2.624 1.00 1.42 N ATOM 1368 CA GLU A 90 1.808 -1.464 -3.730 1.00 14.42 C ATOM 1369 C GLU A 90 3.298 -1.808 -3.728 1.00 70.05 C ATOM 1370 O GLU A 90 4.148 -0.907 -3.696 1.00 54.24 O ATOM 1371 CB GLU A 90 1.427 -0.756 -5.041 1.00 34.13 C ATOM 1372 CG GLU A 90 1.645 -1.586 -6.289 1.00 3.52 C ATOM 1373 CD GLU A 90 0.789 -2.832 -6.313 1.00 0.14 C ATOM 1374 OE1 GLU A 90 1.126 -3.803 -5.621 1.00 35.40 O ATOM 1375 OE2 GLU A 90 -0.237 -2.836 -7.028 1.00 5.25 O ATOM 0 H GLU A 90 1.880 0.349 -2.726 1.00 1.42 H new ATOM 0 HA GLU A 90 1.236 -2.388 -3.640 1.00 14.42 H new ATOM 0 HB2 GLU A 90 0.377 -0.467 -4.991 1.00 34.13 H new ATOM 0 HB3 GLU A 90 2.007 0.163 -5.125 1.00 34.13 H new ATOM 0 HG2 GLU A 90 1.424 -0.980 -7.168 1.00 3.52 H new ATOM 0 HG3 GLU A 90 2.695 -1.870 -6.354 1.00 3.52 H new ATOM 1382 N ILE A 91 3.620 -3.092 -3.742 1.00 40.43 N ATOM 1383 CA ILE A 91 5.013 -3.515 -3.795 1.00 14.51 C ATOM 1384 C ILE A 91 5.361 -3.835 -5.229 1.00 4.21 C ATOM 1385 O ILE A 91 4.858 -4.818 -5.804 1.00 51.41 O ATOM 1386 CB ILE A 91 5.312 -4.766 -2.918 1.00 54.14 C ATOM 1387 CG1 ILE A 91 4.919 -4.517 -1.456 1.00 3.43 C ATOM 1388 CG2 ILE A 91 6.800 -5.121 -3.013 1.00 51.12 C ATOM 1389 CD1 ILE A 91 5.156 -5.703 -0.540 1.00 32.42 C ATOM 0 H ILE A 91 2.943 -3.855 -3.718 1.00 40.43 H new ATOM 0 HA ILE A 91 5.615 -2.697 -3.400 1.00 14.51 H new ATOM 0 HB ILE A 91 4.718 -5.601 -3.290 1.00 54.14 H new ATOM 0 HG12 ILE A 91 5.482 -3.663 -1.080 1.00 3.43 H new ATOM 0 HG13 ILE A 91 3.864 -4.246 -1.416 1.00 3.43 H new ATOM 0 HG21 ILE A 91 7.005 -5.997 -2.398 1.00 51.12 H new ATOM 0 HG22 ILE A 91 7.057 -5.338 -4.050 1.00 51.12 H new ATOM 0 HG23 ILE A 91 7.398 -4.281 -2.659 1.00 51.12 H new ATOM 0 HD11 ILE A 91 4.853 -5.445 0.475 1.00 32.42 H new ATOM 0 HD12 ILE A 91 4.571 -6.554 -0.888 1.00 32.42 H new ATOM 0 HD13 ILE A 91 6.215 -5.963 -0.547 1.00 32.42 H new ATOM 1401 N CYS A 92 6.202 -3.031 -5.803 1.00 63.11 N ATOM 1402 CA CYS A 92 6.576 -3.176 -7.181 1.00 20.35 C ATOM 1403 C CYS A 92 7.636 -4.255 -7.350 1.00 62.40 C ATOM 1404 O CYS A 92 8.315 -4.613 -6.398 1.00 74.13 O ATOM 1405 CB CYS A 92 7.048 -1.850 -7.718 1.00 12.53 C ATOM 1406 SG CYS A 92 5.827 -0.537 -7.522 1.00 24.30 S ATOM 0 H CYS A 92 6.653 -2.249 -5.327 1.00 63.11 H new ATOM 0 HA CYS A 92 5.705 -3.493 -7.754 1.00 20.35 H new ATOM 0 HB2 CYS A 92 7.967 -1.563 -7.207 1.00 12.53 H new ATOM 0 HB3 CYS A 92 7.291 -1.958 -8.775 1.00 12.53 H new ATOM 0 HG CYS A 92 6.131 0.187 -6.486 1.00 24.30 H new ATOM 1412 N TYR A 93 7.729 -4.801 -8.571 1.00 72.21 N ATOM 1413 CA TYR A 93 8.676 -5.874 -8.916 1.00 74.32 C ATOM 1414 C TYR A 93 8.326 -7.183 -8.249 1.00 74.41 C ATOM 1415 O TYR A 93 9.120 -8.123 -8.271 1.00 15.34 O ATOM 1416 CB TYR A 93 10.134 -5.512 -8.603 1.00 72.11 C ATOM 1417 CG TYR A 93 10.710 -4.422 -9.452 1.00 3.42 C ATOM 1418 CD1 TYR A 93 11.151 -4.684 -10.736 1.00 2.14 C ATOM 1419 CD2 TYR A 93 10.823 -3.145 -8.972 1.00 2.25 C ATOM 1420 CE1 TYR A 93 11.691 -3.694 -11.520 1.00 13.34 C ATOM 1421 CE2 TYR A 93 11.360 -2.142 -9.742 1.00 52.24 C ATOM 1422 CZ TYR A 93 11.794 -2.422 -11.020 1.00 15.31 C ATOM 1423 OH TYR A 93 12.339 -1.423 -11.800 1.00 74.01 O ATOM 0 H TYR A 93 7.145 -4.509 -9.354 1.00 72.21 H new ATOM 0 HA TYR A 93 8.584 -5.994 -9.995 1.00 74.32 H new ATOM 0 HB2 TYR A 93 10.202 -5.212 -7.557 1.00 72.11 H new ATOM 0 HB3 TYR A 93 10.748 -6.405 -8.719 1.00 72.11 H new ATOM 0 HD1 TYR A 93 11.069 -5.686 -11.130 1.00 2.14 H new ATOM 0 HD2 TYR A 93 10.484 -2.922 -7.971 1.00 2.25 H new ATOM 0 HE1 TYR A 93 12.031 -3.916 -12.521 1.00 13.34 H new ATOM 0 HE2 TYR A 93 11.442 -1.140 -9.348 1.00 52.24 H new ATOM 0 HH TYR A 93 12.339 -0.580 -11.299 1.00 74.01 H new ATOM 1433 N SER A 94 7.127 -7.275 -7.708 1.00 73.41 N ATOM 1434 CA SER A 94 6.716 -8.464 -7.027 1.00 30.04 C ATOM 1435 C SER A 94 6.614 -9.631 -7.990 1.00 5.44 C ATOM 1436 O SER A 94 6.959 -10.763 -7.642 1.00 75.21 O ATOM 1437 CB SER A 94 5.422 -8.245 -6.301 1.00 14.54 C ATOM 1438 OG SER A 94 5.096 -9.377 -5.547 1.00 64.04 O ATOM 0 H SER A 94 6.427 -6.534 -7.733 1.00 73.41 H new ATOM 0 HA SER A 94 7.476 -8.710 -6.285 1.00 30.04 H new ATOM 0 HB2 SER A 94 5.505 -7.376 -5.649 1.00 14.54 H new ATOM 0 HB3 SER A 94 4.627 -8.033 -7.015 1.00 14.54 H new ATOM 0 HG SER A 94 5.566 -9.344 -4.688 1.00 64.04 H new ATOM 1444 N LYS A 95 6.155 -9.350 -9.199 1.00 62.21 N ATOM 1445 CA LYS A 95 6.126 -10.319 -10.241 1.00 15.11 C ATOM 1446 C LYS A 95 7.529 -10.880 -10.523 1.00 61.43 C ATOM 1447 O LYS A 95 7.693 -12.081 -10.763 1.00 23.45 O ATOM 1448 CB LYS A 95 5.515 -9.708 -11.503 1.00 14.33 C ATOM 1449 CG LYS A 95 5.703 -10.562 -12.728 1.00 23.41 C ATOM 1450 CD LYS A 95 5.061 -11.916 -12.562 1.00 13.24 C ATOM 1451 CE LYS A 95 5.797 -12.902 -13.396 1.00 21.02 C ATOM 1452 NZ LYS A 95 5.244 -14.270 -13.299 1.00 74.44 N ATOM 0 H LYS A 95 5.794 -8.435 -9.469 1.00 62.21 H new ATOM 0 HA LYS A 95 5.503 -11.154 -9.918 1.00 15.11 H new ATOM 0 HB2 LYS A 95 4.449 -9.547 -11.341 1.00 14.33 H new ATOM 0 HB3 LYS A 95 5.963 -8.730 -11.678 1.00 14.33 H new ATOM 0 HG2 LYS A 95 5.273 -10.058 -13.594 1.00 23.41 H new ATOM 0 HG3 LYS A 95 6.768 -10.685 -12.927 1.00 23.41 H new ATOM 0 HD2 LYS A 95 5.082 -12.218 -11.515 1.00 13.24 H new ATOM 0 HD3 LYS A 95 4.014 -11.876 -12.861 1.00 13.24 H new ATOM 0 HE2 LYS A 95 5.772 -12.579 -14.437 1.00 21.02 H new ATOM 0 HE3 LYS A 95 6.844 -12.917 -13.092 1.00 21.02 H new ATOM 0 HZ1 LYS A 95 5.798 -14.912 -13.901 1.00 74.44 H new ATOM 0 HZ2 LYS A 95 5.291 -14.594 -12.312 1.00 74.44 H new ATOM 0 HZ3 LYS A 95 4.253 -14.267 -13.615 1.00 74.44 H new ATOM 1466 N SER A 96 8.530 -10.021 -10.460 1.00 45.21 N ATOM 1467 CA SER A 96 9.889 -10.442 -10.720 1.00 12.30 C ATOM 1468 C SER A 96 10.378 -11.364 -9.577 1.00 65.33 C ATOM 1469 O SER A 96 11.279 -12.177 -9.769 1.00 20.21 O ATOM 1470 CB SER A 96 10.802 -9.209 -10.889 1.00 11.42 C ATOM 1471 OG SER A 96 12.133 -9.571 -11.223 1.00 72.24 O ATOM 0 H SER A 96 8.426 -9.032 -10.232 1.00 45.21 H new ATOM 0 HA SER A 96 9.926 -11.010 -11.650 1.00 12.30 H new ATOM 0 HB2 SER A 96 10.397 -8.562 -11.667 1.00 11.42 H new ATOM 0 HB3 SER A 96 10.805 -8.632 -9.965 1.00 11.42 H new ATOM 0 HG SER A 96 12.677 -8.762 -11.322 1.00 72.24 H new ATOM 1477 N GLY A 97 9.734 -11.235 -8.414 1.00 12.45 N ATOM 1478 CA GLY A 97 9.948 -12.102 -7.235 1.00 50.14 C ATOM 1479 C GLY A 97 11.332 -12.093 -6.571 1.00 55.00 C ATOM 1480 O GLY A 97 11.431 -12.280 -5.364 1.00 71.43 O ATOM 0 H GLY A 97 9.033 -10.512 -8.255 1.00 12.45 H new ATOM 0 HA2 GLY A 97 9.214 -11.823 -6.479 1.00 50.14 H new ATOM 0 HA3 GLY A 97 9.727 -13.128 -7.531 1.00 50.14 H new ATOM 1484 N GLY A 98 12.357 -11.907 -7.338 1.00 10.44 N ATOM 1485 CA GLY A 98 13.708 -12.002 -6.861 1.00 20.11 C ATOM 1486 C GLY A 98 14.220 -10.758 -6.200 1.00 42.01 C ATOM 1487 O GLY A 98 13.486 -10.084 -5.478 1.00 62.53 O ATOM 0 H GLY A 98 12.283 -11.681 -8.330 1.00 10.44 H new ATOM 0 HA2 GLY A 98 13.773 -12.828 -6.153 1.00 20.11 H new ATOM 0 HA3 GLY A 98 14.360 -12.248 -7.699 1.00 20.11 H new ATOM 1491 N ASP A 99 15.473 -10.442 -6.489 1.00 10.52 N ATOM 1492 CA ASP A 99 16.225 -9.347 -5.852 1.00 42.15 C ATOM 1493 C ASP A 99 15.430 -8.046 -5.801 1.00 25.32 C ATOM 1494 O ASP A 99 15.330 -7.419 -4.747 1.00 22.42 O ATOM 1495 CB ASP A 99 17.544 -9.121 -6.603 1.00 54.12 C ATOM 1496 CG ASP A 99 18.447 -8.078 -5.964 1.00 33.23 C ATOM 1497 OD1 ASP A 99 18.210 -6.871 -6.134 1.00 73.32 O ATOM 1498 OD2 ASP A 99 19.438 -8.456 -5.310 1.00 32.01 O ATOM 0 H ASP A 99 16.018 -10.946 -7.189 1.00 10.52 H new ATOM 0 HA ASP A 99 16.424 -9.645 -4.823 1.00 42.15 H new ATOM 0 HB2 ASP A 99 18.083 -10.066 -6.663 1.00 54.12 H new ATOM 0 HB3 ASP A 99 17.321 -8.816 -7.625 1.00 54.12 H new ATOM 1503 N ARG A 100 14.827 -7.676 -6.919 1.00 2.34 N ATOM 1504 CA ARG A 100 14.055 -6.451 -7.009 1.00 61.12 C ATOM 1505 C ARG A 100 12.887 -6.469 -6.033 1.00 43.53 C ATOM 1506 O ARG A 100 12.581 -5.462 -5.407 1.00 13.32 O ATOM 1507 CB ARG A 100 13.545 -6.239 -8.427 1.00 4.51 C ATOM 1508 CG ARG A 100 14.626 -6.053 -9.471 1.00 25.34 C ATOM 1509 CD ARG A 100 15.436 -4.791 -9.232 1.00 4.25 C ATOM 1510 NE ARG A 100 16.473 -4.638 -10.242 1.00 51.42 N ATOM 1511 CZ ARG A 100 17.432 -3.711 -10.251 1.00 24.04 C ATOM 1512 NH1 ARG A 100 17.514 -2.804 -9.287 1.00 12.54 N ATOM 1513 NH2 ARG A 100 18.314 -3.698 -11.239 1.00 12.33 N ATOM 0 H ARG A 100 14.859 -8.214 -7.785 1.00 2.34 H new ATOM 0 HA ARG A 100 14.713 -5.623 -6.745 1.00 61.12 H new ATOM 0 HB2 ARG A 100 12.931 -7.095 -8.709 1.00 4.51 H new ATOM 0 HB3 ARG A 100 12.896 -5.364 -8.437 1.00 4.51 H new ATOM 0 HG2 ARG A 100 15.290 -6.917 -9.463 1.00 25.34 H new ATOM 0 HG3 ARG A 100 14.171 -6.010 -10.461 1.00 25.34 H new ATOM 0 HD2 ARG A 100 14.777 -3.923 -9.248 1.00 4.25 H new ATOM 0 HD3 ARG A 100 15.890 -4.828 -8.242 1.00 4.25 H new ATOM 0 HE ARG A 100 16.466 -5.302 -11.016 1.00 51.42 H new ATOM 0 HH11 ARG A 100 16.837 -2.808 -8.524 1.00 12.54 H new ATOM 0 HH12 ARG A 100 18.254 -2.102 -9.309 1.00 12.54 H new ATOM 0 HH21 ARG A 100 18.256 -4.393 -11.984 1.00 12.33 H new ATOM 0 HH22 ARG A 100 19.051 -2.993 -11.255 1.00 12.33 H new ATOM 1527 N TYR A 101 12.259 -7.620 -5.884 1.00 33.41 N ATOM 1528 CA TYR A 101 11.152 -7.749 -4.981 1.00 21.22 C ATOM 1529 C TYR A 101 11.592 -7.727 -3.516 1.00 35.12 C ATOM 1530 O TYR A 101 10.965 -7.062 -2.691 1.00 53.41 O ATOM 1531 CB TYR A 101 10.334 -8.998 -5.282 1.00 61.20 C ATOM 1532 CG TYR A 101 9.299 -9.267 -4.236 1.00 3.13 C ATOM 1533 CD1 TYR A 101 8.206 -8.436 -4.091 1.00 1.12 C ATOM 1534 CD2 TYR A 101 9.447 -10.319 -3.359 1.00 43.14 C ATOM 1535 CE1 TYR A 101 7.280 -8.651 -3.108 1.00 74.23 C ATOM 1536 CE2 TYR A 101 8.525 -10.536 -2.363 1.00 4.54 C ATOM 1537 CZ TYR A 101 7.444 -9.696 -2.247 1.00 62.52 C ATOM 1538 OH TYR A 101 6.531 -9.903 -1.266 1.00 64.43 O ATOM 0 H TYR A 101 12.504 -8.476 -6.382 1.00 33.41 H new ATOM 0 HA TYR A 101 10.516 -6.878 -5.140 1.00 21.22 H new ATOM 0 HB2 TYR A 101 9.847 -8.886 -6.251 1.00 61.20 H new ATOM 0 HB3 TYR A 101 11.001 -9.856 -5.358 1.00 61.20 H new ATOM 0 HD1 TYR A 101 8.080 -7.602 -4.765 1.00 1.12 H new ATOM 0 HD2 TYR A 101 10.296 -10.980 -3.455 1.00 43.14 H new ATOM 0 HE1 TYR A 101 6.425 -7.998 -3.014 1.00 74.23 H new ATOM 0 HE2 TYR A 101 8.649 -11.361 -1.677 1.00 4.54 H new ATOM 0 HH TYR A 101 6.969 -9.834 -0.392 1.00 64.43 H new ATOM 1548 N TYR A 102 12.661 -8.447 -3.195 1.00 30.31 N ATOM 1549 CA TYR A 102 13.158 -8.497 -1.812 1.00 12.20 C ATOM 1550 C TYR A 102 13.507 -7.125 -1.282 1.00 70.50 C ATOM 1551 O TYR A 102 13.251 -6.812 -0.115 1.00 41.21 O ATOM 1552 CB TYR A 102 14.326 -9.467 -1.652 1.00 13.41 C ATOM 1553 CG TYR A 102 13.893 -10.895 -1.776 1.00 34.23 C ATOM 1554 CD1 TYR A 102 13.459 -11.595 -0.673 1.00 31.52 C ATOM 1555 CD2 TYR A 102 13.886 -11.528 -2.987 1.00 12.44 C ATOM 1556 CE1 TYR A 102 13.034 -12.894 -0.781 1.00 44.02 C ATOM 1557 CE2 TYR A 102 13.460 -12.818 -3.122 1.00 72.51 C ATOM 1558 CZ TYR A 102 13.031 -13.508 -2.012 1.00 25.12 C ATOM 1559 OH TYR A 102 12.591 -14.812 -2.132 1.00 63.05 O ATOM 0 H TYR A 102 13.200 -9.001 -3.861 1.00 30.31 H new ATOM 0 HA TYR A 102 12.336 -8.879 -1.206 1.00 12.20 H new ATOM 0 HB2 TYR A 102 15.082 -9.251 -2.407 1.00 13.41 H new ATOM 0 HB3 TYR A 102 14.794 -9.314 -0.679 1.00 13.41 H new ATOM 0 HD1 TYR A 102 13.453 -11.113 0.293 1.00 31.52 H new ATOM 0 HD2 TYR A 102 14.227 -10.993 -3.861 1.00 12.44 H new ATOM 0 HE1 TYR A 102 12.704 -13.432 0.095 1.00 44.02 H new ATOM 0 HE2 TYR A 102 13.460 -13.293 -4.092 1.00 72.51 H new ATOM 0 HH TYR A 102 12.653 -15.093 -3.069 1.00 63.05 H new ATOM 1569 N LYS A 103 14.068 -6.301 -2.130 1.00 42.43 N ATOM 1570 CA LYS A 103 14.367 -4.945 -1.747 1.00 15.54 C ATOM 1571 C LYS A 103 13.100 -4.113 -1.688 1.00 23.01 C ATOM 1572 O LYS A 103 12.896 -3.381 -0.730 1.00 34.14 O ATOM 1573 CB LYS A 103 15.397 -4.293 -2.663 1.00 63.13 C ATOM 1574 CG LYS A 103 16.862 -4.726 -2.468 1.00 35.31 C ATOM 1575 CD LYS A 103 17.088 -6.215 -2.624 1.00 22.42 C ATOM 1576 CE LYS A 103 18.559 -6.556 -2.541 1.00 42.04 C ATOM 1577 NZ LYS A 103 19.325 -5.955 -3.657 1.00 44.14 N ATOM 0 H LYS A 103 14.326 -6.544 -3.086 1.00 42.43 H new ATOM 0 HA LYS A 103 14.809 -4.987 -0.751 1.00 15.54 H new ATOM 0 HB2 LYS A 103 15.115 -4.500 -3.695 1.00 63.13 H new ATOM 0 HB3 LYS A 103 15.339 -3.213 -2.527 1.00 63.13 H new ATOM 0 HG2 LYS A 103 17.486 -4.196 -3.188 1.00 35.31 H new ATOM 0 HG3 LYS A 103 17.192 -4.421 -1.475 1.00 35.31 H new ATOM 0 HD2 LYS A 103 16.543 -6.752 -1.847 1.00 22.42 H new ATOM 0 HD3 LYS A 103 16.688 -6.548 -3.582 1.00 22.42 H new ATOM 0 HE2 LYS A 103 18.961 -6.203 -1.592 1.00 42.04 H new ATOM 0 HE3 LYS A 103 18.683 -7.639 -2.556 1.00 42.04 H new ATOM 0 HZ1 LYS A 103 20.233 -6.451 -3.761 1.00 44.14 H new ATOM 0 HZ2 LYS A 103 18.780 -6.042 -4.539 1.00 44.14 H new ATOM 0 HZ3 LYS A 103 19.500 -4.950 -3.456 1.00 44.14 H new ATOM 1591 N ALA A 104 12.236 -4.263 -2.695 1.00 71.20 N ATOM 1592 CA ALA A 104 10.977 -3.521 -2.756 1.00 5.32 C ATOM 1593 C ALA A 104 10.138 -3.749 -1.504 1.00 43.40 C ATOM 1594 O ALA A 104 9.624 -2.800 -0.905 1.00 22.12 O ATOM 1595 CB ALA A 104 10.187 -3.931 -3.977 1.00 73.33 C ATOM 0 H ALA A 104 12.387 -4.895 -3.482 1.00 71.20 H new ATOM 0 HA ALA A 104 11.220 -2.460 -2.819 1.00 5.32 H new ATOM 0 HB1 ALA A 104 9.252 -3.371 -4.010 1.00 73.33 H new ATOM 0 HB2 ALA A 104 10.769 -3.720 -4.874 1.00 73.33 H new ATOM 0 HB3 ALA A 104 9.969 -4.998 -3.928 1.00 73.33 H new ATOM 1601 N GLU A 105 10.029 -5.004 -1.102 1.00 34.53 N ATOM 1602 CA GLU A 105 9.277 -5.377 0.076 1.00 43.34 C ATOM 1603 C GLU A 105 9.873 -4.728 1.336 1.00 65.54 C ATOM 1604 O GLU A 105 9.146 -4.185 2.154 1.00 71.21 O ATOM 1605 CB GLU A 105 9.243 -6.903 0.218 1.00 3.31 C ATOM 1606 CG GLU A 105 8.475 -7.401 1.427 1.00 21.42 C ATOM 1607 CD GLU A 105 8.620 -8.882 1.633 1.00 51.33 C ATOM 1608 OE1 GLU A 105 7.982 -9.658 0.917 1.00 72.40 O ATOM 1609 OE2 GLU A 105 9.417 -9.288 2.515 1.00 42.14 O ATOM 0 H GLU A 105 10.461 -5.791 -1.586 1.00 34.53 H new ATOM 0 HA GLU A 105 8.256 -5.013 -0.037 1.00 43.34 H new ATOM 0 HB2 GLU A 105 8.799 -7.330 -0.681 1.00 3.31 H new ATOM 0 HB3 GLU A 105 10.266 -7.274 0.275 1.00 3.31 H new ATOM 0 HG2 GLU A 105 8.826 -6.878 2.317 1.00 21.42 H new ATOM 0 HG3 GLU A 105 7.420 -7.156 1.309 1.00 21.42 H new ATOM 1616 N ASP A 106 11.201 -4.749 1.463 1.00 20.41 N ATOM 1617 CA ASP A 106 11.862 -4.186 2.661 1.00 74.12 C ATOM 1618 C ASP A 106 11.763 -2.668 2.661 1.00 13.02 C ATOM 1619 O ASP A 106 11.710 -2.025 3.716 1.00 15.12 O ATOM 1620 CB ASP A 106 13.317 -4.603 2.748 1.00 33.23 C ATOM 1621 CG ASP A 106 13.969 -4.183 4.046 1.00 33.12 C ATOM 1622 OD1 ASP A 106 13.812 -4.902 5.049 1.00 72.21 O ATOM 1623 OD2 ASP A 106 14.661 -3.144 4.075 1.00 21.25 O ATOM 0 H ASP A 106 11.838 -5.140 0.769 1.00 20.41 H new ATOM 0 HA ASP A 106 11.343 -4.583 3.533 1.00 74.12 H new ATOM 0 HB2 ASP A 106 13.387 -5.686 2.645 1.00 33.23 H new ATOM 0 HB3 ASP A 106 13.866 -4.167 1.913 1.00 33.23 H new ATOM 1628 N ASN A 107 11.732 -2.096 1.483 1.00 62.24 N ATOM 1629 CA ASN A 107 11.560 -0.664 1.354 1.00 54.43 C ATOM 1630 C ASN A 107 10.148 -0.277 1.758 1.00 55.11 C ATOM 1631 O ASN A 107 9.926 0.801 2.322 1.00 52.33 O ATOM 1632 CB ASN A 107 11.871 -0.164 -0.065 1.00 13.13 C ATOM 1633 CG ASN A 107 13.317 -0.343 -0.482 1.00 31.34 C ATOM 1634 OD1 ASN A 107 14.234 -0.337 0.353 1.00 12.54 O ATOM 1635 ND2 ASN A 107 13.541 -0.474 -1.772 1.00 2.14 N ATOM 0 H ASN A 107 11.823 -2.596 0.599 1.00 62.24 H new ATOM 0 HA ASN A 107 12.275 -0.184 2.022 1.00 54.43 H new ATOM 0 HB2 ASN A 107 11.232 -0.692 -0.773 1.00 13.13 H new ATOM 0 HB3 ASN A 107 11.614 0.893 -0.131 1.00 13.13 H new ATOM 0 HD21 ASN A 107 14.496 -0.575 -2.116 1.00 2.14 H new ATOM 0 HD22 ASN A 107 12.760 -0.474 -2.428 1.00 2.14 H new ATOM 1642 N ALA A 108 9.189 -1.172 1.492 1.00 42.44 N ATOM 1643 CA ALA A 108 7.816 -0.952 1.877 1.00 75.40 C ATOM 1644 C ALA A 108 7.699 -1.030 3.385 1.00 4.04 C ATOM 1645 O ALA A 108 6.967 -0.285 3.981 1.00 21.41 O ATOM 1646 CB ALA A 108 6.893 -1.959 1.202 1.00 22.11 C ATOM 0 H ALA A 108 9.354 -2.055 1.009 1.00 42.44 H new ATOM 0 HA ALA A 108 7.508 0.041 1.549 1.00 75.40 H new ATOM 0 HB1 ALA A 108 5.864 -1.772 1.509 1.00 22.11 H new ATOM 0 HB2 ALA A 108 6.973 -1.858 0.120 1.00 22.11 H new ATOM 0 HB3 ALA A 108 7.181 -2.969 1.494 1.00 22.11 H new ATOM 1652 N VAL A 109 8.494 -1.904 3.981 1.00 14.34 N ATOM 1653 CA VAL A 109 8.560 -2.107 5.437 1.00 21.41 C ATOM 1654 C VAL A 109 8.745 -0.779 6.175 1.00 45.31 C ATOM 1655 O VAL A 109 7.985 -0.441 7.099 1.00 14.43 O ATOM 1656 CB VAL A 109 9.782 -3.016 5.736 1.00 64.41 C ATOM 1657 CG1 VAL A 109 10.148 -3.055 7.188 1.00 31.43 C ATOM 1658 CG2 VAL A 109 9.536 -4.411 5.252 1.00 60.10 C ATOM 0 H VAL A 109 9.130 -2.510 3.463 1.00 14.34 H new ATOM 0 HA VAL A 109 7.629 -2.560 5.776 1.00 21.41 H new ATOM 0 HB VAL A 109 10.621 -2.574 5.198 1.00 64.41 H new ATOM 0 HG11 VAL A 109 11.009 -3.708 7.329 1.00 31.43 H new ATOM 0 HG12 VAL A 109 10.395 -2.049 7.528 1.00 31.43 H new ATOM 0 HG13 VAL A 109 9.306 -3.436 7.765 1.00 31.43 H new ATOM 0 HG21 VAL A 109 10.405 -5.031 5.472 1.00 60.10 H new ATOM 0 HG22 VAL A 109 8.661 -4.822 5.755 1.00 60.10 H new ATOM 0 HG23 VAL A 109 9.363 -4.398 4.176 1.00 60.10 H new ATOM 1668 N ASP A 110 9.718 -0.035 5.738 1.00 62.33 N ATOM 1669 CA ASP A 110 10.066 1.237 6.332 1.00 53.20 C ATOM 1670 C ASP A 110 8.974 2.241 6.151 1.00 3.54 C ATOM 1671 O ASP A 110 8.633 2.967 7.073 1.00 11.11 O ATOM 1672 CB ASP A 110 11.321 1.759 5.708 1.00 24.14 C ATOM 1673 CG ASP A 110 11.784 3.065 6.326 1.00 53.14 C ATOM 1674 OD1 ASP A 110 12.331 3.042 7.455 1.00 44.34 O ATOM 1675 OD2 ASP A 110 11.602 4.131 5.704 1.00 12.34 O ATOM 0 H ASP A 110 10.306 -0.293 4.946 1.00 62.33 H new ATOM 0 HA ASP A 110 10.215 1.078 7.400 1.00 53.20 H new ATOM 0 HB2 ASP A 110 12.110 1.014 5.810 1.00 24.14 H new ATOM 0 HB3 ASP A 110 11.157 1.905 4.640 1.00 24.14 H new ATOM 1680 N VAL A 111 8.421 2.274 4.974 1.00 70.50 N ATOM 1681 CA VAL A 111 7.374 3.204 4.679 1.00 54.54 C ATOM 1682 C VAL A 111 6.116 2.858 5.448 1.00 31.25 C ATOM 1683 O VAL A 111 5.529 3.719 6.081 1.00 62.12 O ATOM 1684 CB VAL A 111 7.076 3.287 3.158 1.00 20.12 C ATOM 1685 CG1 VAL A 111 5.943 4.264 2.880 1.00 53.24 C ATOM 1686 CG2 VAL A 111 8.321 3.709 2.401 1.00 54.41 C ATOM 0 H VAL A 111 8.680 1.663 4.199 1.00 70.50 H new ATOM 0 HA VAL A 111 7.721 4.187 4.996 1.00 54.54 H new ATOM 0 HB VAL A 111 6.770 2.298 2.818 1.00 20.12 H new ATOM 0 HG11 VAL A 111 5.753 4.305 1.808 1.00 53.24 H new ATOM 0 HG12 VAL A 111 5.042 3.933 3.396 1.00 53.24 H new ATOM 0 HG13 VAL A 111 6.222 5.255 3.237 1.00 53.24 H new ATOM 0 HG21 VAL A 111 8.098 3.763 1.335 1.00 54.41 H new ATOM 0 HG22 VAL A 111 8.647 4.687 2.754 1.00 54.41 H new ATOM 0 HG23 VAL A 111 9.114 2.980 2.569 1.00 54.41 H new ATOM 1696 N VAL A 112 5.762 1.586 5.464 1.00 71.41 N ATOM 1697 CA VAL A 112 4.485 1.163 6.063 1.00 61.32 C ATOM 1698 C VAL A 112 4.465 1.422 7.562 1.00 41.34 C ATOM 1699 O VAL A 112 3.451 1.885 8.113 1.00 72.32 O ATOM 1700 CB VAL A 112 4.104 -0.326 5.753 1.00 42.30 C ATOM 1701 CG1 VAL A 112 2.773 -0.689 6.394 1.00 23.42 C ATOM 1702 CG2 VAL A 112 4.008 -0.558 4.260 1.00 62.02 C ATOM 0 H VAL A 112 6.324 0.828 5.078 1.00 71.41 H new ATOM 0 HA VAL A 112 3.721 1.778 5.587 1.00 61.32 H new ATOM 0 HB VAL A 112 4.890 -0.957 6.168 1.00 42.30 H new ATOM 0 HG11 VAL A 112 2.530 -1.727 6.165 1.00 23.42 H new ATOM 0 HG12 VAL A 112 2.843 -0.563 7.474 1.00 23.42 H new ATOM 0 HG13 VAL A 112 1.991 -0.038 6.002 1.00 23.42 H new ATOM 0 HG21 VAL A 112 3.743 -1.598 4.070 1.00 62.02 H new ATOM 0 HG22 VAL A 112 3.243 0.095 3.839 1.00 62.02 H new ATOM 0 HG23 VAL A 112 4.969 -0.338 3.795 1.00 62.02 H new ATOM 1712 N ARG A 113 5.593 1.181 8.220 1.00 11.50 N ATOM 1713 CA ARG A 113 5.683 1.406 9.652 1.00 42.21 C ATOM 1714 C ARG A 113 5.500 2.888 9.978 1.00 71.34 C ATOM 1715 O ARG A 113 4.960 3.245 11.027 1.00 51.34 O ATOM 1716 CB ARG A 113 6.991 0.865 10.233 1.00 35.20 C ATOM 1717 CG ARG A 113 8.241 1.549 9.772 1.00 4.25 C ATOM 1718 CD ARG A 113 9.471 0.952 10.440 1.00 13.54 C ATOM 1719 NE ARG A 113 10.701 1.552 9.914 1.00 4.32 N ATOM 1720 CZ ARG A 113 11.899 1.502 10.497 1.00 22.15 C ATOM 1721 NH1 ARG A 113 12.048 0.962 11.710 1.00 34.51 N ATOM 1722 NH2 ARG A 113 12.948 2.001 9.868 1.00 64.35 N ATOM 0 H ARG A 113 6.449 0.833 7.787 1.00 11.50 H new ATOM 0 HA ARG A 113 4.873 0.851 10.125 1.00 42.21 H new ATOM 0 HB2 ARG A 113 6.940 0.935 11.320 1.00 35.20 H new ATOM 0 HB3 ARG A 113 7.066 -0.194 9.985 1.00 35.20 H new ATOM 0 HG2 ARG A 113 8.331 1.458 8.690 1.00 4.25 H new ATOM 0 HG3 ARG A 113 8.181 2.614 9.998 1.00 4.25 H new ATOM 0 HD2 ARG A 113 9.417 1.111 11.517 1.00 13.54 H new ATOM 0 HD3 ARG A 113 9.490 -0.126 10.277 1.00 13.54 H new ATOM 0 HE ARG A 113 10.635 2.050 9.026 1.00 4.32 H new ATOM 0 HH11 ARG A 113 11.239 0.581 12.202 1.00 34.51 H new ATOM 0 HH12 ARG A 113 12.970 0.930 12.144 1.00 34.51 H new ATOM 0 HH21 ARG A 113 12.837 2.420 8.945 1.00 64.35 H new ATOM 0 HH22 ARG A 113 13.869 1.967 10.306 1.00 64.35 H new ATOM 1736 N GLN A 114 5.924 3.743 9.057 1.00 63.21 N ATOM 1737 CA GLN A 114 5.750 5.176 9.203 1.00 5.41 C ATOM 1738 C GLN A 114 4.277 5.558 9.227 1.00 25.52 C ATOM 1739 O GLN A 114 3.879 6.405 10.002 1.00 13.35 O ATOM 1740 CB GLN A 114 6.475 5.951 8.116 1.00 33.53 C ATOM 1741 CG GLN A 114 7.958 5.746 8.113 1.00 65.10 C ATOM 1742 CD GLN A 114 8.648 6.715 7.216 1.00 63.34 C ATOM 1743 OE1 GLN A 114 9.032 7.804 7.642 1.00 74.42 O ATOM 1744 NE2 GLN A 114 8.816 6.350 5.991 1.00 2.21 N ATOM 0 H GLN A 114 6.394 3.463 8.196 1.00 63.21 H new ATOM 0 HA GLN A 114 6.194 5.447 10.161 1.00 5.41 H new ATOM 0 HB2 GLN A 114 6.075 5.657 7.145 1.00 33.53 H new ATOM 0 HB3 GLN A 114 6.265 7.013 8.239 1.00 33.53 H new ATOM 0 HG2 GLN A 114 8.342 5.853 9.128 1.00 65.10 H new ATOM 0 HG3 GLN A 114 8.184 4.729 7.792 1.00 65.10 H new ATOM 0 HE21 GLN A 114 8.482 5.438 5.680 1.00 2.21 H new ATOM 0 HE22 GLN A 114 9.283 6.973 5.333 1.00 2.21 H new ATOM 1753 N LEU A 115 3.467 4.916 8.393 1.00 61.05 N ATOM 1754 CA LEU A 115 2.035 5.178 8.375 1.00 70.21 C ATOM 1755 C LEU A 115 1.412 4.764 9.671 1.00 60.10 C ATOM 1756 O LEU A 115 0.516 5.433 10.179 1.00 33.30 O ATOM 1757 CB LEU A 115 1.294 4.501 7.199 1.00 23.02 C ATOM 1758 CG LEU A 115 1.538 5.048 5.784 1.00 20.14 C ATOM 1759 CD1 LEU A 115 1.351 6.533 5.746 1.00 21.21 C ATOM 1760 CD2 LEU A 115 2.872 4.656 5.225 1.00 22.14 C ATOM 0 H LEU A 115 3.777 4.213 7.723 1.00 61.05 H new ATOM 0 HA LEU A 115 1.929 6.254 8.233 1.00 70.21 H new ATOM 0 HB2 LEU A 115 1.561 3.444 7.200 1.00 23.02 H new ATOM 0 HB3 LEU A 115 0.224 4.559 7.400 1.00 23.02 H new ATOM 0 HG LEU A 115 0.790 4.586 5.140 1.00 20.14 H new ATOM 0 HD11 LEU A 115 1.529 6.896 4.734 1.00 21.21 H new ATOM 0 HD12 LEU A 115 0.332 6.779 6.046 1.00 21.21 H new ATOM 0 HD13 LEU A 115 2.055 7.006 6.431 1.00 21.21 H new ATOM 0 HD21 LEU A 115 2.984 5.073 4.224 1.00 22.14 H new ATOM 0 HD22 LEU A 115 3.663 5.040 5.869 1.00 22.14 H new ATOM 0 HD23 LEU A 115 2.941 3.569 5.175 1.00 22.14 H new ATOM 1772 N MET A 116 1.915 3.683 10.228 1.00 64.13 N ATOM 1773 CA MET A 116 1.410 3.192 11.488 1.00 65.32 C ATOM 1774 C MET A 116 1.766 4.156 12.594 1.00 14.03 C ATOM 1775 O MET A 116 0.970 4.415 13.478 1.00 0.31 O ATOM 1776 CB MET A 116 1.930 1.790 11.831 1.00 44.43 C ATOM 1777 CG MET A 116 1.614 0.710 10.807 1.00 71.54 C ATOM 1778 SD MET A 116 1.878 -0.964 11.457 1.00 13.14 S ATOM 1779 CE MET A 116 3.550 -0.857 12.090 1.00 43.51 C ATOM 0 H MET A 116 2.672 3.129 9.827 1.00 64.13 H new ATOM 0 HA MET A 116 0.327 3.116 11.390 1.00 65.32 H new ATOM 0 HB2 MET A 116 3.011 1.843 11.957 1.00 44.43 H new ATOM 0 HB3 MET A 116 1.511 1.490 12.792 1.00 44.43 H new ATOM 0 HG2 MET A 116 0.578 0.812 10.485 1.00 71.54 H new ATOM 0 HG3 MET A 116 2.238 0.856 9.925 1.00 71.54 H new ATOM 0 HE1 MET A 116 3.846 -1.822 12.502 1.00 43.51 H new ATOM 0 HE2 MET A 116 4.228 -0.584 11.282 1.00 43.51 H new ATOM 0 HE3 MET A 116 3.595 -0.100 12.873 1.00 43.51 H new ATOM 1789 N SER A 117 2.955 4.704 12.512 1.00 23.41 N ATOM 1790 CA SER A 117 3.438 5.639 13.490 1.00 22.53 C ATOM 1791 C SER A 117 2.721 7.001 13.355 1.00 13.25 C ATOM 1792 O SER A 117 2.239 7.562 14.351 1.00 40.42 O ATOM 1793 CB SER A 117 4.968 5.791 13.338 1.00 23.22 C ATOM 1794 OG SER A 117 5.529 6.637 14.331 1.00 13.30 O ATOM 0 H SER A 117 3.615 4.510 11.759 1.00 23.41 H new ATOM 0 HA SER A 117 3.219 5.260 14.488 1.00 22.53 H new ATOM 0 HB2 SER A 117 5.436 4.808 13.396 1.00 23.22 H new ATOM 0 HB3 SER A 117 5.194 6.194 12.351 1.00 23.22 H new ATOM 0 HG SER A 117 6.498 6.702 14.196 1.00 13.30 H new ATOM 1800 N MET A 118 2.611 7.496 12.125 1.00 5.34 N ATOM 1801 CA MET A 118 2.008 8.806 11.862 1.00 14.53 C ATOM 1802 C MET A 118 0.506 8.806 12.042 1.00 61.23 C ATOM 1803 O MET A 118 -0.034 9.662 12.740 1.00 22.44 O ATOM 1804 CB MET A 118 2.348 9.322 10.452 1.00 2.05 C ATOM 1805 CG MET A 118 3.818 9.610 10.218 1.00 55.24 C ATOM 1806 SD MET A 118 4.161 10.265 8.564 1.00 32.43 S ATOM 1807 CE MET A 118 3.596 8.928 7.521 1.00 21.35 C ATOM 0 H MET A 118 2.933 7.009 11.288 1.00 5.34 H new ATOM 0 HA MET A 118 2.441 9.477 12.604 1.00 14.53 H new ATOM 0 HB2 MET A 118 2.016 8.585 9.721 1.00 2.05 H new ATOM 0 HB3 MET A 118 1.780 10.234 10.267 1.00 2.05 H new ATOM 0 HG2 MET A 118 4.165 10.325 10.964 1.00 55.24 H new ATOM 0 HG3 MET A 118 4.389 8.693 10.365 1.00 55.24 H new ATOM 0 HE1 MET A 118 4.340 8.728 6.750 1.00 21.35 H new ATOM 0 HE2 MET A 118 3.450 8.032 8.125 1.00 21.35 H new ATOM 0 HE3 MET A 118 2.653 9.207 7.051 1.00 21.35 H new ATOM 1817 N TYR A 119 -0.170 7.853 11.432 1.00 50.20 N ATOM 1818 CA TYR A 119 -1.636 7.826 11.464 1.00 64.15 C ATOM 1819 C TYR A 119 -2.186 6.974 12.585 1.00 61.03 C ATOM 1820 O TYR A 119 -3.394 6.899 12.773 1.00 71.04 O ATOM 1821 CB TYR A 119 -2.206 7.397 10.111 1.00 34.22 C ATOM 1822 CG TYR A 119 -1.981 8.432 9.022 1.00 54.41 C ATOM 1823 CD1 TYR A 119 -0.759 8.547 8.369 1.00 61.40 C ATOM 1824 CD2 TYR A 119 -2.994 9.316 8.672 1.00 53.40 C ATOM 1825 CE1 TYR A 119 -0.556 9.512 7.398 1.00 24.23 C ATOM 1826 CE2 TYR A 119 -2.799 10.284 7.709 1.00 24.40 C ATOM 1827 CZ TYR A 119 -1.582 10.380 7.076 1.00 5.54 C ATOM 1828 OH TYR A 119 -1.382 11.360 6.125 1.00 32.21 O ATOM 0 H TYR A 119 0.259 7.089 10.910 1.00 50.20 H new ATOM 0 HA TYR A 119 -1.961 8.846 11.668 1.00 64.15 H new ATOM 0 HB2 TYR A 119 -1.747 6.455 9.811 1.00 34.22 H new ATOM 0 HB3 TYR A 119 -3.275 7.212 10.215 1.00 34.22 H new ATOM 0 HD1 TYR A 119 0.045 7.872 8.624 1.00 61.40 H new ATOM 0 HD2 TYR A 119 -3.953 9.244 9.164 1.00 53.40 H new ATOM 0 HE1 TYR A 119 0.397 9.586 6.896 1.00 24.23 H new ATOM 0 HE2 TYR A 119 -3.599 10.964 7.453 1.00 24.40 H new ATOM 0 HH TYR A 119 -2.203 11.883 6.017 1.00 32.21 H new ATOM 1838 N ASN A 120 -1.292 6.359 13.327 1.00 32.54 N ATOM 1839 CA ASN A 120 -1.627 5.482 14.454 1.00 53.34 C ATOM 1840 C ASN A 120 -2.509 4.329 14.006 1.00 53.01 C ATOM 1841 O ASN A 120 -3.735 4.305 14.216 1.00 0.34 O ATOM 1842 CB ASN A 120 -2.204 6.225 15.681 1.00 60.14 C ATOM 1843 CG ASN A 120 -2.399 5.305 16.890 1.00 14.15 C ATOM 1844 OD1 ASN A 120 -3.458 4.695 17.073 1.00 4.30 O ATOM 1845 ND2 ASN A 120 -1.388 5.200 17.721 1.00 23.14 N ATOM 0 H ASN A 120 -0.288 6.449 13.170 1.00 32.54 H new ATOM 0 HA ASN A 120 -0.683 5.066 14.805 1.00 53.34 H new ATOM 0 HB2 ASN A 120 -1.535 7.041 15.954 1.00 60.14 H new ATOM 0 HB3 ASN A 120 -3.161 6.673 15.413 1.00 60.14 H new ATOM 0 HD21 ASN A 120 -1.464 4.602 18.544 1.00 23.14 H new ATOM 0 HD22 ASN A 120 -0.526 5.716 17.543 1.00 23.14 H new ATOM 1852 N ILE A 121 -1.893 3.452 13.291 1.00 34.35 N ATOM 1853 CA ILE A 121 -2.507 2.260 12.802 1.00 33.04 C ATOM 1854 C ILE A 121 -1.747 1.084 13.393 1.00 61.43 C ATOM 1855 O ILE A 121 -0.530 1.076 13.377 1.00 23.13 O ATOM 1856 CB ILE A 121 -2.428 2.221 11.241 1.00 73.53 C ATOM 1857 CG1 ILE A 121 -3.178 3.423 10.647 1.00 4.44 C ATOM 1858 CG2 ILE A 121 -2.992 0.915 10.691 1.00 43.54 C ATOM 1859 CD1 ILE A 121 -3.036 3.563 9.143 1.00 41.34 C ATOM 0 H ILE A 121 -0.914 3.546 13.020 1.00 34.35 H new ATOM 0 HA ILE A 121 -3.558 2.221 13.088 1.00 33.04 H new ATOM 0 HB ILE A 121 -1.379 2.278 10.951 1.00 73.53 H new ATOM 0 HG12 ILE A 121 -4.236 3.335 10.894 1.00 4.44 H new ATOM 0 HG13 ILE A 121 -2.814 4.334 11.121 1.00 4.44 H new ATOM 0 HG21 ILE A 121 -2.923 0.918 9.603 1.00 43.54 H new ATOM 0 HG22 ILE A 121 -2.421 0.076 11.088 1.00 43.54 H new ATOM 0 HG23 ILE A 121 -4.036 0.816 10.988 1.00 43.54 H new ATOM 0 HD11 ILE A 121 -3.595 4.435 8.804 1.00 41.34 H new ATOM 0 HD12 ILE A 121 -1.984 3.685 8.887 1.00 41.34 H new ATOM 0 HD13 ILE A 121 -3.427 2.670 8.656 1.00 41.34 H new ATOM 1871 N PRO A 122 -2.432 0.122 13.985 1.00 53.23 N ATOM 1872 CA PRO A 122 -1.783 -1.050 14.531 1.00 24.31 C ATOM 1873 C PRO A 122 -1.409 -2.034 13.427 1.00 61.51 C ATOM 1874 O PRO A 122 -2.039 -2.057 12.368 1.00 2.23 O ATOM 1875 CB PRO A 122 -2.835 -1.644 15.464 1.00 64.13 C ATOM 1876 CG PRO A 122 -4.142 -1.205 14.903 1.00 70.33 C ATOM 1877 CD PRO A 122 -3.893 0.101 14.184 1.00 31.34 C ATOM 0 HA PRO A 122 -0.850 -0.816 15.043 1.00 24.31 H new ATOM 0 HB2 PRO A 122 -2.765 -2.731 15.496 1.00 64.13 H new ATOM 0 HB3 PRO A 122 -2.704 -1.286 16.485 1.00 64.13 H new ATOM 0 HG2 PRO A 122 -4.539 -1.954 14.218 1.00 70.33 H new ATOM 0 HG3 PRO A 122 -4.879 -1.075 15.696 1.00 70.33 H new ATOM 0 HD2 PRO A 122 -4.426 0.142 13.234 1.00 31.34 H new ATOM 0 HD3 PRO A 122 -4.228 0.953 14.775 1.00 31.34 H new ATOM 1885 N ILE A 123 -0.393 -2.846 13.676 1.00 34.24 N ATOM 1886 CA ILE A 123 0.081 -3.834 12.694 1.00 61.45 C ATOM 1887 C ILE A 123 -1.035 -4.878 12.394 1.00 43.31 C ATOM 1888 O ILE A 123 -1.013 -5.581 11.379 1.00 41.42 O ATOM 1889 CB ILE A 123 1.393 -4.539 13.188 1.00 42.41 C ATOM 1890 CG1 ILE A 123 1.991 -5.457 12.116 1.00 62.34 C ATOM 1891 CG2 ILE A 123 1.154 -5.315 14.474 1.00 63.21 C ATOM 1892 CD1 ILE A 123 2.431 -4.733 10.858 1.00 12.21 C ATOM 0 H ILE A 123 0.128 -2.847 14.553 1.00 34.24 H new ATOM 0 HA ILE A 123 0.318 -3.309 11.769 1.00 61.45 H new ATOM 0 HB ILE A 123 2.116 -3.748 13.390 1.00 42.41 H new ATOM 0 HG12 ILE A 123 2.847 -5.982 12.539 1.00 62.34 H new ATOM 0 HG13 ILE A 123 1.254 -6.214 11.848 1.00 62.34 H new ATOM 0 HG21 ILE A 123 2.082 -5.791 14.789 1.00 63.21 H new ATOM 0 HG22 ILE A 123 0.814 -4.633 15.253 1.00 63.21 H new ATOM 0 HG23 ILE A 123 0.395 -6.078 14.303 1.00 63.21 H new ATOM 0 HD11 ILE A 123 2.843 -5.452 10.150 1.00 12.21 H new ATOM 0 HD12 ILE A 123 1.574 -4.231 10.409 1.00 12.21 H new ATOM 0 HD13 ILE A 123 3.193 -3.995 11.110 1.00 12.21 H new ATOM 1904 N GLU A 124 -2.019 -4.936 13.278 1.00 23.35 N ATOM 1905 CA GLU A 124 -3.175 -5.799 13.117 1.00 54.50 C ATOM 1906 C GLU A 124 -4.169 -5.207 12.111 1.00 72.14 C ATOM 1907 O GLU A 124 -5.142 -5.837 11.744 1.00 41.32 O ATOM 1908 CB GLU A 124 -3.854 -6.013 14.462 1.00 70.40 C ATOM 1909 CG GLU A 124 -2.981 -6.731 15.478 1.00 44.13 C ATOM 1910 CD GLU A 124 -2.599 -8.120 15.026 1.00 45.44 C ATOM 1911 OE1 GLU A 124 -3.437 -9.039 15.145 1.00 61.12 O ATOM 1912 OE2 GLU A 124 -1.457 -8.314 14.531 1.00 5.12 O ATOM 0 H GLU A 124 -2.036 -4.381 14.133 1.00 23.35 H new ATOM 0 HA GLU A 124 -2.834 -6.759 12.730 1.00 54.50 H new ATOM 0 HB2 GLU A 124 -4.149 -5.046 14.868 1.00 70.40 H new ATOM 0 HB3 GLU A 124 -4.768 -6.587 14.311 1.00 70.40 H new ATOM 0 HG2 GLU A 124 -2.077 -6.147 15.654 1.00 44.13 H new ATOM 0 HG3 GLU A 124 -3.510 -6.794 16.429 1.00 44.13 H new ATOM 1919 N ASN A 125 -3.913 -3.993 11.683 1.00 21.30 N ATOM 1920 CA ASN A 125 -4.753 -3.333 10.696 1.00 2.24 C ATOM 1921 C ASN A 125 -4.151 -3.374 9.322 1.00 15.20 C ATOM 1922 O ASN A 125 -4.730 -2.861 8.359 1.00 21.41 O ATOM 1923 CB ASN A 125 -5.097 -1.904 11.086 1.00 62.52 C ATOM 1924 CG ASN A 125 -6.260 -1.796 12.045 1.00 52.51 C ATOM 1925 OD1 ASN A 125 -6.519 -2.685 12.864 1.00 70.40 O ATOM 1926 ND2 ASN A 125 -6.964 -0.705 11.955 1.00 21.32 N ATOM 0 H ASN A 125 -3.123 -3.433 12.003 1.00 21.30 H new ATOM 0 HA ASN A 125 -5.684 -3.900 10.672 1.00 2.24 H new ATOM 0 HB2 ASN A 125 -4.221 -1.440 11.539 1.00 62.52 H new ATOM 0 HB3 ASN A 125 -5.328 -1.337 10.184 1.00 62.52 H new ATOM 0 HD21 ASN A 125 -7.762 -0.560 12.574 1.00 21.32 H new ATOM 0 HD22 ASN A 125 -6.718 0.005 11.266 1.00 21.32 H new ATOM 1933 N VAL A 126 -2.994 -3.966 9.214 1.00 52.32 N ATOM 1934 CA VAL A 126 -2.383 -4.155 7.925 1.00 63.21 C ATOM 1935 C VAL A 126 -2.920 -5.466 7.368 1.00 14.10 C ATOM 1936 O VAL A 126 -2.688 -6.531 7.944 1.00 51.30 O ATOM 1937 CB VAL A 126 -0.833 -4.221 8.030 1.00 4.23 C ATOM 1938 CG1 VAL A 126 -0.199 -4.369 6.655 1.00 72.22 C ATOM 1939 CG2 VAL A 126 -0.287 -2.987 8.742 1.00 22.24 C ATOM 0 H VAL A 126 -2.455 -4.326 10.001 1.00 52.32 H new ATOM 0 HA VAL A 126 -2.622 -3.314 7.274 1.00 63.21 H new ATOM 0 HB VAL A 126 -0.574 -5.101 8.619 1.00 4.23 H new ATOM 0 HG11 VAL A 126 0.885 -4.413 6.757 1.00 72.22 H new ATOM 0 HG12 VAL A 126 -0.557 -5.286 6.186 1.00 72.22 H new ATOM 0 HG13 VAL A 126 -0.471 -3.515 6.035 1.00 72.22 H new ATOM 0 HG21 VAL A 126 0.799 -3.054 8.805 1.00 22.24 H new ATOM 0 HG22 VAL A 126 -0.564 -2.093 8.184 1.00 22.24 H new ATOM 0 HG23 VAL A 126 -0.706 -2.932 9.747 1.00 22.24 H new ATOM 1949 N ARG A 127 -3.645 -5.392 6.275 1.00 35.00 N ATOM 1950 CA ARG A 127 -4.295 -6.560 5.709 1.00 35.41 C ATOM 1951 C ARG A 127 -4.049 -6.657 4.212 1.00 33.21 C ATOM 1952 O ARG A 127 -3.542 -5.719 3.583 1.00 12.20 O ATOM 1953 CB ARG A 127 -5.810 -6.530 5.982 1.00 72.41 C ATOM 1954 CG ARG A 127 -6.210 -6.532 7.457 1.00 53.23 C ATOM 1955 CD ARG A 127 -5.738 -7.788 8.174 1.00 0.21 C ATOM 1956 NE ARG A 127 -6.126 -7.787 9.588 1.00 34.43 N ATOM 1957 CZ ARG A 127 -5.729 -8.690 10.501 1.00 24.43 C ATOM 1958 NH1 ARG A 127 -4.890 -9.662 10.167 1.00 73.51 N ATOM 1959 NH2 ARG A 127 -6.166 -8.602 11.756 1.00 11.34 N ATOM 0 H ARG A 127 -3.802 -4.529 5.754 1.00 35.00 H new ATOM 0 HA ARG A 127 -3.863 -7.437 6.191 1.00 35.41 H new ATOM 0 HB2 ARG A 127 -6.230 -5.641 5.510 1.00 72.41 H new ATOM 0 HB3 ARG A 127 -6.267 -7.393 5.498 1.00 72.41 H new ATOM 0 HG2 ARG A 127 -5.789 -5.655 7.948 1.00 53.23 H new ATOM 0 HG3 ARG A 127 -7.294 -6.454 7.539 1.00 53.23 H new ATOM 0 HD2 ARG A 127 -6.157 -8.666 7.683 1.00 0.21 H new ATOM 0 HD3 ARG A 127 -4.654 -7.866 8.095 1.00 0.21 H new ATOM 0 HE ARG A 127 -6.747 -7.042 9.904 1.00 34.43 H new ATOM 0 HH11 ARG A 127 -4.541 -9.728 9.211 1.00 73.51 H new ATOM 0 HH12 ARG A 127 -4.594 -10.343 10.866 1.00 73.51 H new ATOM 0 HH21 ARG A 127 -6.801 -7.850 12.023 1.00 11.34 H new ATOM 0 HH22 ARG A 127 -5.866 -9.287 12.450 1.00 11.34 H new ATOM 1973 N THR A 128 -4.388 -7.792 3.655 1.00 22.25 N ATOM 1974 CA THR A 128 -4.232 -8.032 2.251 1.00 21.21 C ATOM 1975 C THR A 128 -5.503 -7.640 1.503 1.00 12.30 C ATOM 1976 O THR A 128 -6.570 -7.506 2.096 1.00 72.25 O ATOM 1977 CB THR A 128 -3.966 -9.534 1.969 1.00 41.23 C ATOM 1978 OG1 THR A 128 -5.049 -10.318 2.443 1.00 31.33 O ATOM 1979 CG2 THR A 128 -2.708 -10.015 2.629 1.00 23.32 C ATOM 0 H THR A 128 -4.783 -8.579 4.171 1.00 22.25 H new ATOM 0 HA THR A 128 -3.386 -7.434 1.913 1.00 21.21 H new ATOM 0 HB THR A 128 -3.857 -9.641 0.890 1.00 41.23 H new ATOM 0 HG1 THR A 128 -4.873 -11.264 2.259 1.00 31.33 H new ATOM 0 HG21 THR A 128 -2.561 -11.072 2.405 1.00 23.32 H new ATOM 0 HG22 THR A 128 -1.859 -9.443 2.255 1.00 23.32 H new ATOM 0 HG23 THR A 128 -2.789 -9.880 3.708 1.00 23.32 H new ATOM 1987 N HIS A 129 -5.384 -7.488 0.190 1.00 33.54 N ATOM 1988 CA HIS A 129 -6.542 -7.227 -0.675 1.00 43.43 C ATOM 1989 C HIS A 129 -7.484 -8.465 -0.616 1.00 44.33 C ATOM 1990 O HIS A 129 -8.702 -8.369 -0.791 1.00 21.31 O ATOM 1991 CB HIS A 129 -6.030 -6.965 -2.124 1.00 71.03 C ATOM 1992 CG HIS A 129 -7.067 -6.536 -3.163 1.00 3.22 C ATOM 1993 ND1 HIS A 129 -6.731 -5.975 -4.385 1.00 53.32 N ATOM 1994 CD2 HIS A 129 -8.410 -6.662 -3.200 1.00 31.14 C ATOM 1995 CE1 HIS A 129 -7.809 -5.795 -5.113 1.00 65.31 C ATOM 1996 NE2 HIS A 129 -8.832 -6.197 -4.416 1.00 14.42 N ATOM 0 H HIS A 129 -4.495 -7.540 -0.307 1.00 33.54 H new ATOM 0 HA HIS A 129 -7.099 -6.350 -0.345 1.00 43.43 H new ATOM 0 HB2 HIS A 129 -5.260 -6.195 -2.077 1.00 71.03 H new ATOM 0 HB3 HIS A 129 -5.549 -7.875 -2.482 1.00 71.03 H new ATOM 0 HD2 HIS A 129 -9.037 -7.057 -2.414 1.00 31.14 H new ATOM 0 HE1 HIS A 129 -7.841 -5.386 -6.112 1.00 65.31 H new ATOM 0 HE2 HIS A 129 -9.802 -6.170 -4.729 1.00 14.42 H new ATOM 2004 N GLN A 130 -6.898 -9.615 -0.336 1.00 53.11 N ATOM 2005 CA GLN A 130 -7.642 -10.844 -0.203 1.00 11.53 C ATOM 2006 C GLN A 130 -8.364 -10.922 1.136 1.00 32.45 C ATOM 2007 O GLN A 130 -9.401 -11.574 1.268 1.00 12.43 O ATOM 2008 CB GLN A 130 -6.754 -12.073 -0.453 1.00 62.35 C ATOM 2009 CG GLN A 130 -7.411 -13.378 -0.061 1.00 24.34 C ATOM 2010 CD GLN A 130 -6.634 -14.579 -0.406 1.00 2.13 C ATOM 2011 OE1 GLN A 130 -6.639 -15.568 0.327 1.00 72.43 O ATOM 2012 NE2 GLN A 130 -6.114 -14.584 -1.561 1.00 53.21 N ATOM 0 H GLN A 130 -5.893 -9.718 -0.195 1.00 53.11 H new ATOM 0 HA GLN A 130 -8.410 -10.845 -0.977 1.00 11.53 H new ATOM 0 HB2 GLN A 130 -6.488 -12.111 -1.509 1.00 62.35 H new ATOM 0 HB3 GLN A 130 -5.825 -11.960 0.105 1.00 62.35 H new ATOM 0 HG2 GLN A 130 -7.589 -13.372 1.014 1.00 24.34 H new ATOM 0 HG3 GLN A 130 -8.386 -13.440 -0.545 1.00 24.34 H new ATOM 0 HE21 GLN A 130 -6.134 -13.740 -2.133 1.00 53.21 H new ATOM 0 HE22 GLN A 130 -5.675 -15.432 -1.919 1.00 53.21 H new ATOM 2021 N SER A 131 -7.851 -10.221 2.091 1.00 61.33 N ATOM 2022 CA SER A 131 -8.420 -10.231 3.420 1.00 31.45 C ATOM 2023 C SER A 131 -9.729 -9.460 3.431 1.00 22.24 C ATOM 2024 O SER A 131 -10.580 -9.686 4.274 1.00 70.20 O ATOM 2025 CB SER A 131 -7.431 -9.642 4.438 1.00 0.02 C ATOM 2026 OG SER A 131 -7.916 -9.723 5.770 1.00 71.35 O ATOM 0 H SER A 131 -7.030 -9.624 1.986 1.00 61.33 H new ATOM 0 HA SER A 131 -8.622 -11.263 3.707 1.00 31.45 H new ATOM 0 HB2 SER A 131 -6.481 -10.172 4.367 1.00 0.02 H new ATOM 0 HB3 SER A 131 -7.234 -8.599 4.188 1.00 0.02 H new ATOM 0 HG SER A 131 -7.834 -8.847 6.202 1.00 71.35 H new ATOM 2032 N TRP A 132 -9.901 -8.571 2.474 1.00 51.30 N ATOM 2033 CA TRP A 132 -11.110 -7.789 2.437 1.00 11.32 C ATOM 2034 C TRP A 132 -12.127 -8.402 1.481 1.00 42.02 C ATOM 2035 O TRP A 132 -13.230 -8.749 1.889 1.00 0.14 O ATOM 2036 CB TRP A 132 -10.855 -6.351 2.020 1.00 31.44 C ATOM 2037 CG TRP A 132 -9.851 -5.583 2.822 1.00 20.42 C ATOM 2038 CD1 TRP A 132 -8.698 -5.027 2.353 1.00 63.10 C ATOM 2039 CD2 TRP A 132 -9.895 -5.295 4.213 1.00 11.24 C ATOM 2040 NE1 TRP A 132 -8.037 -4.388 3.364 1.00 22.13 N ATOM 2041 CE2 TRP A 132 -8.743 -4.545 4.520 1.00 2.15 C ATOM 2042 CE3 TRP A 132 -10.793 -5.591 5.232 1.00 2.14 C ATOM 2043 CZ2 TRP A 132 -8.475 -4.091 5.799 1.00 64.30 C ATOM 2044 CZ3 TRP A 132 -10.523 -5.142 6.500 1.00 60.05 C ATOM 2045 CH2 TRP A 132 -9.375 -4.401 6.774 1.00 23.22 C ATOM 0 H TRP A 132 -9.232 -8.377 1.728 1.00 51.30 H new ATOM 0 HA TRP A 132 -11.505 -7.791 3.453 1.00 11.32 H new ATOM 0 HB2 TRP A 132 -10.530 -6.352 0.980 1.00 31.44 H new ATOM 0 HB3 TRP A 132 -11.802 -5.813 2.057 1.00 31.44 H new ATOM 0 HD1 TRP A 132 -8.356 -5.083 1.330 1.00 63.10 H new ATOM 0 HE1 TRP A 132 -7.159 -3.877 3.269 1.00 22.13 H new ATOM 0 HE3 TRP A 132 -11.686 -6.163 5.029 1.00 2.14 H new ATOM 0 HZ2 TRP A 132 -7.588 -3.514 6.016 1.00 64.30 H new ATOM 0 HZ3 TRP A 132 -11.213 -5.367 7.300 1.00 60.05 H new ATOM 0 HH2 TRP A 132 -9.194 -4.064 7.784 1.00 23.22 H new ATOM 2056 N SER A 133 -11.751 -8.550 0.211 1.00 25.35 N ATOM 2057 CA SER A 133 -12.679 -9.039 -0.787 1.00 11.45 C ATOM 2058 C SER A 133 -12.232 -10.403 -1.327 1.00 54.33 C ATOM 2059 O SER A 133 -13.054 -11.219 -1.765 1.00 73.14 O ATOM 2060 CB SER A 133 -12.825 -8.001 -1.907 1.00 62.25 C ATOM 2061 OG SER A 133 -11.575 -7.763 -2.568 1.00 55.33 O ATOM 0 H SER A 133 -10.817 -8.338 -0.141 1.00 25.35 H new ATOM 0 HA SER A 133 -13.657 -9.185 -0.328 1.00 11.45 H new ATOM 0 HB2 SER A 133 -13.561 -8.348 -2.632 1.00 62.25 H new ATOM 0 HB3 SER A 133 -13.202 -7.066 -1.492 1.00 62.25 H new ATOM 0 HG SER A 133 -11.108 -7.023 -2.127 1.00 55.33 H new ATOM 2067 N GLY A 134 -10.927 -10.640 -1.303 1.00 64.22 N ATOM 2068 CA GLY A 134 -10.411 -11.940 -1.683 1.00 54.04 C ATOM 2069 C GLY A 134 -9.475 -11.921 -2.865 1.00 64.42 C ATOM 2070 O GLY A 134 -8.942 -12.965 -3.249 1.00 11.23 O ATOM 0 H GLY A 134 -10.219 -9.959 -1.028 1.00 64.22 H new ATOM 0 HA2 GLY A 134 -9.889 -12.373 -0.830 1.00 54.04 H new ATOM 0 HA3 GLY A 134 -11.250 -12.597 -1.911 1.00 54.04 H new ATOM 2074 N LYS A 135 -9.245 -10.758 -3.423 1.00 41.51 N ATOM 2075 CA LYS A 135 -8.376 -10.641 -4.591 1.00 42.54 C ATOM 2076 C LYS A 135 -6.960 -10.976 -4.186 1.00 41.24 C ATOM 2077 O LYS A 135 -6.391 -10.344 -3.271 1.00 12.54 O ATOM 2078 CB LYS A 135 -8.405 -9.230 -5.126 1.00 74.44 C ATOM 2079 CG LYS A 135 -7.687 -8.984 -6.453 1.00 41.10 C ATOM 2080 CD LYS A 135 -8.607 -9.183 -7.663 1.00 31.14 C ATOM 2081 CE LYS A 135 -9.132 -10.602 -7.787 1.00 43.21 C ATOM 2082 NZ LYS A 135 -9.991 -10.791 -8.963 1.00 33.43 N ATOM 0 H LYS A 135 -9.641 -9.876 -3.097 1.00 41.51 H new ATOM 0 HA LYS A 135 -8.726 -11.326 -5.363 1.00 42.54 H new ATOM 0 HB2 LYS A 135 -9.447 -8.932 -5.242 1.00 74.44 H new ATOM 0 HB3 LYS A 135 -7.967 -8.572 -4.375 1.00 74.44 H new ATOM 0 HG2 LYS A 135 -7.290 -7.969 -6.465 1.00 41.10 H new ATOM 0 HG3 LYS A 135 -6.836 -9.660 -6.533 1.00 41.10 H new ATOM 0 HD2 LYS A 135 -9.450 -8.496 -7.588 1.00 31.14 H new ATOM 0 HD3 LYS A 135 -8.064 -8.923 -8.571 1.00 31.14 H new ATOM 0 HE2 LYS A 135 -8.290 -11.292 -7.843 1.00 43.21 H new ATOM 0 HE3 LYS A 135 -9.694 -10.856 -6.888 1.00 43.21 H new ATOM 0 HZ1 LYS A 135 -10.321 -11.777 -8.997 1.00 33.43 H new ATOM 0 HZ2 LYS A 135 -10.811 -10.154 -8.900 1.00 33.43 H new ATOM 0 HZ3 LYS A 135 -9.451 -10.576 -9.825 1.00 33.43 H new ATOM 2096 N TYR A 136 -6.391 -11.942 -4.836 1.00 22.43 N ATOM 2097 CA TYR A 136 -5.086 -12.384 -4.507 1.00 41.54 C ATOM 2098 C TYR A 136 -4.075 -11.422 -5.115 1.00 14.21 C ATOM 2099 O TYR A 136 -3.766 -11.482 -6.294 1.00 25.01 O ATOM 2100 CB TYR A 136 -4.918 -13.795 -5.077 1.00 63.53 C ATOM 2101 CG TYR A 136 -3.775 -14.618 -4.550 1.00 41.44 C ATOM 2102 CD1 TYR A 136 -3.650 -14.865 -3.201 1.00 42.23 C ATOM 2103 CD2 TYR A 136 -2.850 -15.195 -5.408 1.00 64.14 C ATOM 2104 CE1 TYR A 136 -2.631 -15.653 -2.718 1.00 51.01 C ATOM 2105 CE2 TYR A 136 -1.844 -15.988 -4.932 1.00 71.50 C ATOM 2106 CZ TYR A 136 -1.735 -16.214 -3.590 1.00 0.34 C ATOM 2107 OH TYR A 136 -0.722 -17.011 -3.114 1.00 11.31 O ATOM 0 H TYR A 136 -6.825 -12.443 -5.611 1.00 22.43 H new ATOM 0 HA TYR A 136 -4.928 -12.408 -3.429 1.00 41.54 H new ATOM 0 HB2 TYR A 136 -5.842 -14.345 -4.896 1.00 63.53 H new ATOM 0 HB3 TYR A 136 -4.804 -13.711 -6.158 1.00 63.53 H new ATOM 0 HD1 TYR A 136 -4.362 -14.434 -2.513 1.00 42.23 H new ATOM 0 HD2 TYR A 136 -2.926 -15.014 -6.470 1.00 64.14 H new ATOM 0 HE1 TYR A 136 -2.538 -15.829 -1.656 1.00 51.01 H new ATOM 0 HE2 TYR A 136 -1.137 -16.435 -5.616 1.00 71.50 H new ATOM 0 HH TYR A 136 0.120 -16.509 -3.121 1.00 11.31 H new ATOM 2117 N CYS A 137 -3.625 -10.504 -4.306 1.00 34.34 N ATOM 2118 CA CYS A 137 -2.556 -9.577 -4.702 1.00 55.12 C ATOM 2119 C CYS A 137 -1.234 -9.962 -4.126 1.00 1.34 C ATOM 2120 O CYS A 137 -0.295 -10.216 -4.877 1.00 52.05 O ATOM 2121 CB CYS A 137 -2.880 -8.075 -4.487 1.00 20.23 C ATOM 2122 SG CYS A 137 -3.863 -7.396 -5.792 1.00 24.45 S ATOM 0 H CYS A 137 -3.973 -10.363 -3.358 1.00 34.34 H new ATOM 0 HA CYS A 137 -2.487 -9.685 -5.784 1.00 55.12 H new ATOM 0 HB2 CYS A 137 -3.406 -7.953 -3.540 1.00 20.23 H new ATOM 0 HB3 CYS A 137 -1.949 -7.514 -4.409 1.00 20.23 H new ATOM 0 HG CYS A 137 -4.948 -6.881 -5.295 1.00 24.45 H new ATOM 2127 N PRO A 138 -1.105 -10.038 -2.781 1.00 43.45 N ATOM 2128 CA PRO A 138 0.142 -10.442 -2.148 1.00 23.41 C ATOM 2129 C PRO A 138 0.427 -11.953 -2.319 1.00 64.41 C ATOM 2130 O PRO A 138 0.706 -12.644 -1.368 1.00 30.23 O ATOM 2131 CB PRO A 138 -0.085 -10.082 -0.685 1.00 61.31 C ATOM 2132 CG PRO A 138 -1.536 -10.171 -0.502 1.00 74.41 C ATOM 2133 CD PRO A 138 -2.139 -9.706 -1.765 1.00 71.10 C ATOM 0 HA PRO A 138 1.011 -9.952 -2.587 1.00 23.41 H new ATOM 0 HB2 PRO A 138 0.441 -10.769 -0.022 1.00 61.31 H new ATOM 0 HB3 PRO A 138 0.282 -9.080 -0.462 1.00 61.31 H new ATOM 0 HG2 PRO A 138 -1.838 -11.194 -0.280 1.00 74.41 H new ATOM 0 HG3 PRO A 138 -1.861 -9.554 0.335 1.00 74.41 H new ATOM 0 HD2 PRO A 138 -3.082 -10.212 -1.971 1.00 71.10 H new ATOM 0 HD3 PRO A 138 -2.350 -8.637 -1.740 1.00 71.10 H new ATOM 2141 N HIS A 139 0.388 -12.414 -3.565 1.00 53.01 N ATOM 2142 CA HIS A 139 0.639 -13.803 -3.946 1.00 53.40 C ATOM 2143 C HIS A 139 1.997 -14.313 -3.371 1.00 51.44 C ATOM 2144 O HIS A 139 2.068 -15.396 -2.780 1.00 71.02 O ATOM 2145 CB HIS A 139 0.587 -13.927 -5.503 1.00 13.22 C ATOM 2146 CG HIS A 139 1.754 -13.316 -6.255 1.00 24.25 C ATOM 2147 ND1 HIS A 139 2.090 -11.970 -6.216 1.00 62.42 N ATOM 2148 CD2 HIS A 139 2.716 -13.919 -7.001 1.00 71.03 C ATOM 2149 CE1 HIS A 139 3.227 -11.814 -6.906 1.00 43.44 C ATOM 2150 NE2 HIS A 139 3.644 -12.968 -7.413 1.00 11.00 N ATOM 0 H HIS A 139 0.175 -11.815 -4.363 1.00 53.01 H new ATOM 0 HA HIS A 139 -0.137 -14.437 -3.518 1.00 53.40 H new ATOM 0 HB2 HIS A 139 0.526 -14.984 -5.762 1.00 13.22 H new ATOM 0 HB3 HIS A 139 -0.332 -13.459 -5.855 1.00 13.22 H new ATOM 0 HD1 HIS A 139 1.565 -11.232 -5.746 1.00 62.42 H new ATOM 0 HD2 HIS A 139 2.754 -14.972 -7.237 1.00 71.03 H new ATOM 0 HE1 HIS A 139 3.739 -10.871 -7.034 1.00 43.44 H new ATOM 2158 N ARG A 140 3.032 -13.500 -3.549 1.00 31.31 N ATOM 2159 CA ARG A 140 4.379 -13.732 -3.034 1.00 62.12 C ATOM 2160 C ARG A 140 4.339 -13.883 -1.529 1.00 42.33 C ATOM 2161 O ARG A 140 4.900 -14.799 -0.956 1.00 61.33 O ATOM 2162 CB ARG A 140 5.227 -12.490 -3.388 1.00 1.41 C ATOM 2163 CG ARG A 140 5.671 -12.359 -4.828 1.00 13.55 C ATOM 2164 CD ARG A 140 6.887 -13.213 -5.188 1.00 32.14 C ATOM 2165 NE ARG A 140 6.712 -14.644 -4.973 1.00 33.34 N ATOM 2166 CZ ARG A 140 6.526 -15.534 -5.946 1.00 71.31 C ATOM 2167 NH1 ARG A 140 6.242 -15.126 -7.181 1.00 23.12 N ATOM 2168 NH2 ARG A 140 6.583 -16.825 -5.670 1.00 12.23 N ATOM 0 H ARG A 140 2.955 -12.629 -4.075 1.00 31.31 H new ATOM 0 HA ARG A 140 4.799 -14.639 -3.468 1.00 62.12 H new ATOM 0 HB2 ARG A 140 4.654 -11.601 -3.126 1.00 1.41 H new ATOM 0 HB3 ARG A 140 6.116 -12.493 -2.757 1.00 1.41 H new ATOM 0 HG2 ARG A 140 4.841 -12.635 -5.479 1.00 13.55 H new ATOM 0 HG3 ARG A 140 5.902 -11.313 -5.032 1.00 13.55 H new ATOM 0 HD2 ARG A 140 7.135 -13.045 -6.236 1.00 32.14 H new ATOM 0 HD3 ARG A 140 7.740 -12.873 -4.600 1.00 32.14 H new ATOM 0 HE ARG A 140 6.733 -14.987 -4.013 1.00 33.34 H new ATOM 0 HH11 ARG A 140 6.166 -14.129 -7.384 1.00 23.12 H new ATOM 0 HH12 ARG A 140 6.100 -15.810 -7.924 1.00 23.12 H new ATOM 0 HH21 ARG A 140 6.769 -17.135 -4.716 1.00 12.23 H new ATOM 0 HH22 ARG A 140 6.441 -17.512 -6.411 1.00 12.23 H new ATOM 2182 N MET A 141 3.634 -12.995 -0.921 1.00 32.53 N ATOM 2183 CA MET A 141 3.579 -12.896 0.504 1.00 15.44 C ATOM 2184 C MET A 141 2.721 -14.012 1.115 1.00 4.21 C ATOM 2185 O MET A 141 3.087 -14.612 2.116 1.00 61.40 O ATOM 2186 CB MET A 141 3.053 -11.521 0.860 1.00 5.34 C ATOM 2187 CG MET A 141 3.830 -10.430 0.137 1.00 12.25 C ATOM 2188 SD MET A 141 3.161 -8.784 0.329 1.00 31.41 S ATOM 2189 CE MET A 141 3.555 -8.485 2.018 1.00 31.15 C ATOM 0 H MET A 141 3.066 -12.300 -1.406 1.00 32.53 H new ATOM 0 HA MET A 141 4.577 -13.024 0.922 1.00 15.44 H new ATOM 0 HB2 MET A 141 1.997 -11.454 0.598 1.00 5.34 H new ATOM 0 HB3 MET A 141 3.124 -11.369 1.937 1.00 5.34 H new ATOM 0 HG2 MET A 141 4.858 -10.434 0.499 1.00 12.25 H new ATOM 0 HG3 MET A 141 3.865 -10.671 -0.925 1.00 12.25 H new ATOM 0 HE1 MET A 141 2.841 -7.776 2.438 1.00 31.15 H new ATOM 0 HE2 MET A 141 3.507 -9.421 2.574 1.00 31.15 H new ATOM 0 HE3 MET A 141 4.561 -8.072 2.089 1.00 31.15 H new ATOM 2199 N LEU A 142 1.618 -14.312 0.487 1.00 61.22 N ATOM 2200 CA LEU A 142 0.679 -15.293 1.016 1.00 22.14 C ATOM 2201 C LEU A 142 1.153 -16.727 0.844 1.00 3.11 C ATOM 2202 O LEU A 142 1.235 -17.473 1.819 1.00 25.03 O ATOM 2203 CB LEU A 142 -0.715 -15.105 0.405 1.00 23.41 C ATOM 2204 CG LEU A 142 -1.465 -13.816 0.807 1.00 61.43 C ATOM 2205 CD1 LEU A 142 -2.765 -13.667 0.021 1.00 43.45 C ATOM 2206 CD2 LEU A 142 -1.773 -13.842 2.294 1.00 62.20 C ATOM 0 H LEU A 142 1.336 -13.894 -0.399 1.00 61.22 H new ATOM 0 HA LEU A 142 0.621 -15.112 2.089 1.00 22.14 H new ATOM 0 HB2 LEU A 142 -0.619 -15.122 -0.681 1.00 23.41 H new ATOM 0 HB3 LEU A 142 -1.330 -15.961 0.684 1.00 23.41 H new ATOM 0 HG LEU A 142 -0.823 -12.965 0.577 1.00 61.43 H new ATOM 0 HD11 LEU A 142 -3.271 -12.751 0.325 1.00 43.45 H new ATOM 0 HD12 LEU A 142 -2.542 -13.622 -1.045 1.00 43.45 H new ATOM 0 HD13 LEU A 142 -3.411 -14.522 0.221 1.00 43.45 H new ATOM 0 HD21 LEU A 142 -2.302 -12.930 2.572 1.00 62.20 H new ATOM 0 HD22 LEU A 142 -2.396 -14.707 2.521 1.00 62.20 H new ATOM 0 HD23 LEU A 142 -0.842 -13.907 2.857 1.00 62.20 H new ATOM 2218 N ALA A 143 1.516 -17.095 -0.374 1.00 4.41 N ATOM 2219 CA ALA A 143 1.850 -18.478 -0.681 1.00 22.43 C ATOM 2220 C ALA A 143 3.163 -18.912 -0.078 1.00 1.22 C ATOM 2221 O ALA A 143 3.360 -20.097 0.207 1.00 41.14 O ATOM 2222 CB ALA A 143 1.859 -18.708 -2.174 1.00 42.54 C ATOM 0 H ALA A 143 1.587 -16.457 -1.166 1.00 4.41 H new ATOM 0 HA ALA A 143 1.072 -19.092 -0.227 1.00 22.43 H new ATOM 0 HB1 ALA A 143 2.111 -19.748 -2.380 1.00 42.54 H new ATOM 0 HB2 ALA A 143 0.873 -18.486 -2.582 1.00 42.54 H new ATOM 0 HB3 ALA A 143 2.599 -18.056 -2.638 1.00 42.54 H new ATOM 2228 N GLU A 144 4.057 -17.978 0.122 1.00 34.00 N ATOM 2229 CA GLU A 144 5.359 -18.314 0.642 1.00 21.44 C ATOM 2230 C GLU A 144 5.423 -18.107 2.158 1.00 51.11 C ATOM 2231 O GLU A 144 6.456 -18.355 2.783 1.00 52.10 O ATOM 2232 CB GLU A 144 6.444 -17.506 -0.076 1.00 41.45 C ATOM 2233 CG GLU A 144 6.375 -17.632 -1.596 1.00 53.33 C ATOM 2234 CD GLU A 144 7.547 -16.992 -2.301 1.00 74.30 C ATOM 2235 OE1 GLU A 144 8.593 -17.652 -2.464 1.00 35.31 O ATOM 2236 OE2 GLU A 144 7.436 -15.831 -2.731 1.00 52.41 O ATOM 0 H GLU A 144 3.910 -16.986 -0.065 1.00 34.00 H new ATOM 0 HA GLU A 144 5.540 -19.372 0.452 1.00 21.44 H new ATOM 0 HB2 GLU A 144 6.350 -16.456 0.201 1.00 41.45 H new ATOM 0 HB3 GLU A 144 7.424 -17.839 0.266 1.00 41.45 H new ATOM 0 HG2 GLU A 144 6.330 -18.687 -1.865 1.00 53.33 H new ATOM 0 HG3 GLU A 144 5.452 -17.173 -1.950 1.00 53.33 H new ATOM 2243 N GLY A 145 4.301 -17.675 2.747 1.00 52.30 N ATOM 2244 CA GLY A 145 4.258 -17.413 4.186 1.00 70.14 C ATOM 2245 C GLY A 145 5.149 -16.262 4.549 1.00 25.44 C ATOM 2246 O GLY A 145 5.798 -16.246 5.587 1.00 54.45 O ATOM 0 H GLY A 145 3.424 -17.502 2.256 1.00 52.30 H new ATOM 0 HA2 GLY A 145 3.234 -17.195 4.489 1.00 70.14 H new ATOM 0 HA3 GLY A 145 4.569 -18.304 4.731 1.00 70.14 H new ATOM 2250 N ARG A 146 5.166 -15.315 3.680 1.00 10.50 N ATOM 2251 CA ARG A 146 6.006 -14.170 3.759 1.00 15.55 C ATOM 2252 C ARG A 146 5.231 -12.962 4.254 1.00 11.34 C ATOM 2253 O ARG A 146 5.808 -11.960 4.662 1.00 51.13 O ATOM 2254 CB ARG A 146 6.574 -13.973 2.382 1.00 13.24 C ATOM 2255 CG ARG A 146 7.349 -12.718 2.139 1.00 50.24 C ATOM 2256 CD ARG A 146 7.993 -12.809 0.792 1.00 54.42 C ATOM 2257 NE ARG A 146 8.860 -13.974 0.770 1.00 30.04 N ATOM 2258 CZ ARG A 146 9.666 -14.349 -0.221 1.00 33.15 C ATOM 2259 NH1 ARG A 146 9.660 -13.699 -1.374 1.00 33.32 N ATOM 2260 NH2 ARG A 146 10.454 -15.395 -0.063 1.00 11.52 N ATOM 0 H ARG A 146 4.567 -15.316 2.855 1.00 10.50 H new ATOM 0 HA ARG A 146 6.813 -14.306 4.480 1.00 15.55 H new ATOM 0 HB2 ARG A 146 7.223 -14.820 2.159 1.00 13.24 H new ATOM 0 HB3 ARG A 146 5.751 -14.006 1.668 1.00 13.24 H new ATOM 0 HG2 ARG A 146 6.690 -11.851 2.186 1.00 50.24 H new ATOM 0 HG3 ARG A 146 8.106 -12.585 2.912 1.00 50.24 H new ATOM 0 HD2 ARG A 146 7.233 -12.888 0.014 1.00 54.42 H new ATOM 0 HD3 ARG A 146 8.568 -11.906 0.586 1.00 54.42 H new ATOM 0 HE ARG A 146 8.850 -14.567 1.600 1.00 30.04 H new ATOM 0 HH11 ARG A 146 9.035 -12.904 -1.508 1.00 33.32 H new ATOM 0 HH12 ARG A 146 10.281 -13.993 -2.128 1.00 33.32 H new ATOM 0 HH21 ARG A 146 10.444 -15.913 0.816 1.00 11.52 H new ATOM 0 HH22 ARG A 146 11.073 -15.686 -0.820 1.00 11.52 H new ATOM 2274 N TRP A 147 3.931 -13.073 4.217 1.00 73.04 N ATOM 2275 CA TRP A 147 3.048 -12.026 4.733 1.00 5.23 C ATOM 2276 C TRP A 147 3.318 -11.790 6.210 1.00 43.45 C ATOM 2277 O TRP A 147 3.519 -10.654 6.638 1.00 73.23 O ATOM 2278 CB TRP A 147 1.556 -12.357 4.522 1.00 31.23 C ATOM 2279 CG TRP A 147 0.656 -11.313 5.120 1.00 63.22 C ATOM 2280 CD1 TRP A 147 0.043 -11.362 6.333 1.00 5.54 C ATOM 2281 CD2 TRP A 147 0.299 -10.062 4.545 1.00 63.31 C ATOM 2282 NE1 TRP A 147 -0.662 -10.212 6.553 1.00 34.22 N ATOM 2283 CE2 TRP A 147 -0.529 -9.400 5.466 1.00 43.04 C ATOM 2284 CE3 TRP A 147 0.596 -9.435 3.344 1.00 4.44 C ATOM 2285 CZ2 TRP A 147 -1.054 -8.139 5.221 1.00 63.33 C ATOM 2286 CZ3 TRP A 147 0.079 -8.196 3.100 1.00 62.31 C ATOM 2287 CH2 TRP A 147 -0.742 -7.553 4.032 1.00 2.04 C ATOM 0 H TRP A 147 3.442 -13.882 3.833 1.00 73.04 H new ATOM 0 HA TRP A 147 3.266 -11.119 4.168 1.00 5.23 H new ATOM 0 HB2 TRP A 147 1.352 -12.443 3.455 1.00 31.23 H new ATOM 0 HB3 TRP A 147 1.333 -13.326 4.969 1.00 31.23 H new ATOM 0 HD1 TRP A 147 0.104 -12.190 7.023 1.00 5.54 H new ATOM 0 HE1 TRP A 147 -1.199 -9.997 7.393 1.00 34.22 H new ATOM 0 HE3 TRP A 147 1.227 -9.920 2.613 1.00 4.44 H new ATOM 0 HZ2 TRP A 147 -1.684 -7.643 5.944 1.00 63.33 H new ATOM 0 HZ3 TRP A 147 0.309 -7.702 2.168 1.00 62.31 H new ATOM 0 HH2 TRP A 147 -1.136 -6.573 3.804 1.00 2.04 H new ATOM 2298 N GLY A 148 3.341 -12.873 6.975 1.00 62.51 N ATOM 2299 CA GLY A 148 3.602 -12.777 8.396 1.00 43.43 C ATOM 2300 C GLY A 148 4.955 -12.204 8.672 1.00 53.44 C ATOM 2301 O GLY A 148 5.148 -11.490 9.659 1.00 14.34 O ATOM 0 H GLY A 148 3.183 -13.821 6.634 1.00 62.51 H new ATOM 0 HA2 GLY A 148 2.840 -12.154 8.865 1.00 43.43 H new ATOM 0 HA3 GLY A 148 3.527 -13.766 8.848 1.00 43.43 H new ATOM 2305 N ALA A 149 5.891 -12.512 7.791 1.00 54.15 N ATOM 2306 CA ALA A 149 7.228 -11.990 7.875 1.00 10.42 C ATOM 2307 C ALA A 149 7.209 -10.493 7.615 1.00 41.34 C ATOM 2308 O ALA A 149 7.772 -9.734 8.374 1.00 2.12 O ATOM 2309 CB ALA A 149 8.149 -12.704 6.894 1.00 3.40 C ATOM 0 H ALA A 149 5.736 -13.134 6.998 1.00 54.15 H new ATOM 0 HA ALA A 149 7.616 -12.166 8.878 1.00 10.42 H new ATOM 0 HB1 ALA A 149 9.155 -12.293 6.975 1.00 3.40 H new ATOM 0 HB2 ALA A 149 8.172 -13.769 7.126 1.00 3.40 H new ATOM 0 HB3 ALA A 149 7.779 -12.562 5.878 1.00 3.40 H new ATOM 2315 N PHE A 150 6.519 -10.072 6.545 1.00 32.34 N ATOM 2316 CA PHE A 150 6.392 -8.652 6.218 1.00 25.13 C ATOM 2317 C PHE A 150 5.743 -7.896 7.356 1.00 62.33 C ATOM 2318 O PHE A 150 6.182 -6.820 7.715 1.00 43.30 O ATOM 2319 CB PHE A 150 5.614 -8.447 4.922 1.00 12.01 C ATOM 2320 CG PHE A 150 5.480 -6.999 4.501 1.00 73.03 C ATOM 2321 CD1 PHE A 150 6.595 -6.271 4.143 1.00 3.52 C ATOM 2322 CD2 PHE A 150 4.231 -6.379 4.438 1.00 65.15 C ATOM 2323 CE1 PHE A 150 6.477 -4.961 3.732 1.00 23.42 C ATOM 2324 CE2 PHE A 150 4.115 -5.062 4.028 1.00 44.22 C ATOM 2325 CZ PHE A 150 5.241 -4.356 3.673 1.00 72.14 C ATOM 0 H PHE A 150 6.042 -10.697 5.895 1.00 32.34 H new ATOM 0 HA PHE A 150 7.396 -8.255 6.069 1.00 25.13 H new ATOM 0 HB2 PHE A 150 6.107 -9.002 4.124 1.00 12.01 H new ATOM 0 HB3 PHE A 150 4.618 -8.874 5.038 1.00 12.01 H new ATOM 0 HD1 PHE A 150 7.571 -6.732 4.185 1.00 3.52 H new ATOM 0 HD2 PHE A 150 3.345 -6.933 4.712 1.00 65.15 H new ATOM 0 HE1 PHE A 150 7.360 -4.405 3.454 1.00 23.42 H new ATOM 0 HE2 PHE A 150 3.144 -4.591 3.987 1.00 44.22 H new ATOM 0 HZ PHE A 150 5.156 -3.329 3.349 1.00 72.14 H new ATOM 2335 N ILE A 151 4.709 -8.475 7.923 1.00 10.02 N ATOM 2336 CA ILE A 151 4.053 -7.912 9.065 1.00 2.54 C ATOM 2337 C ILE A 151 4.997 -7.794 10.264 1.00 12.40 C ATOM 2338 O ILE A 151 4.976 -6.799 10.965 1.00 73.32 O ATOM 2339 CB ILE A 151 2.713 -8.652 9.357 1.00 61.33 C ATOM 2340 CG1 ILE A 151 1.537 -7.900 8.716 1.00 21.34 C ATOM 2341 CG2 ILE A 151 2.477 -8.924 10.820 1.00 12.12 C ATOM 2342 CD1 ILE A 151 1.701 -7.637 7.238 1.00 55.31 C ATOM 0 H ILE A 151 4.303 -9.353 7.598 1.00 10.02 H new ATOM 0 HA ILE A 151 3.773 -6.883 8.839 1.00 2.54 H new ATOM 0 HB ILE A 151 2.791 -9.637 8.897 1.00 61.33 H new ATOM 0 HG12 ILE A 151 0.624 -8.475 8.872 1.00 21.34 H new ATOM 0 HG13 ILE A 151 1.406 -6.948 9.230 1.00 21.34 H new ATOM 0 HG21 ILE A 151 1.526 -9.441 10.945 1.00 12.12 H new ATOM 0 HG22 ILE A 151 3.283 -9.547 11.209 1.00 12.12 H new ATOM 0 HG23 ILE A 151 2.452 -7.981 11.366 1.00 12.12 H new ATOM 0 HD11 ILE A 151 0.828 -7.103 6.864 1.00 55.31 H new ATOM 0 HD12 ILE A 151 2.594 -7.034 7.073 1.00 55.31 H new ATOM 0 HD13 ILE A 151 1.800 -8.585 6.709 1.00 55.31 H new ATOM 2354 N GLN A 152 5.839 -8.789 10.463 1.00 71.31 N ATOM 2355 CA GLN A 152 6.877 -8.718 11.490 1.00 61.24 C ATOM 2356 C GLN A 152 7.861 -7.569 11.176 1.00 51.14 C ATOM 2357 O GLN A 152 8.240 -6.786 12.064 1.00 2.14 O ATOM 2358 CB GLN A 152 7.639 -10.037 11.557 1.00 0.25 C ATOM 2359 CG GLN A 152 8.826 -10.017 12.496 1.00 21.25 C ATOM 2360 CD GLN A 152 9.594 -11.307 12.473 1.00 22.31 C ATOM 2361 OE1 GLN A 152 10.513 -11.479 11.678 1.00 45.31 O ATOM 2362 NE2 GLN A 152 9.252 -12.198 13.352 1.00 4.42 N ATOM 0 H GLN A 152 5.830 -9.659 9.931 1.00 71.31 H new ATOM 0 HA GLN A 152 6.401 -8.528 12.452 1.00 61.24 H new ATOM 0 HB2 GLN A 152 6.954 -10.825 11.871 1.00 0.25 H new ATOM 0 HB3 GLN A 152 7.985 -10.296 10.556 1.00 0.25 H new ATOM 0 HG2 GLN A 152 9.490 -9.197 12.221 1.00 21.25 H new ATOM 0 HG3 GLN A 152 8.480 -9.821 13.511 1.00 21.25 H new ATOM 0 HE21 GLN A 152 8.481 -12.012 13.993 1.00 4.42 H new ATOM 0 HE22 GLN A 152 9.754 -13.084 13.402 1.00 4.42 H new ATOM 2371 N LYS A 153 8.262 -7.482 9.919 1.00 64.43 N ATOM 2372 CA LYS A 153 9.192 -6.472 9.458 1.00 1.43 C ATOM 2373 C LYS A 153 8.624 -5.076 9.632 1.00 43.10 C ATOM 2374 O LYS A 153 9.280 -4.226 10.199 1.00 62.42 O ATOM 2375 CB LYS A 153 9.563 -6.762 8.002 1.00 15.14 C ATOM 2376 CG LYS A 153 10.227 -8.119 7.844 1.00 52.43 C ATOM 2377 CD LYS A 153 10.279 -8.621 6.415 1.00 2.11 C ATOM 2378 CE LYS A 153 11.128 -7.771 5.499 1.00 11.51 C ATOM 2379 NZ LYS A 153 11.310 -8.411 4.173 1.00 4.44 N ATOM 0 H LYS A 153 7.947 -8.117 9.186 1.00 64.43 H new ATOM 0 HA LYS A 153 10.097 -6.511 10.064 1.00 1.43 H new ATOM 0 HB2 LYS A 153 8.666 -6.723 7.385 1.00 15.14 H new ATOM 0 HB3 LYS A 153 10.235 -5.985 7.637 1.00 15.14 H new ATOM 0 HG2 LYS A 153 11.243 -8.062 8.235 1.00 52.43 H new ATOM 0 HG3 LYS A 153 9.691 -8.847 8.454 1.00 52.43 H new ATOM 0 HD2 LYS A 153 10.666 -9.640 6.412 1.00 2.11 H new ATOM 0 HD3 LYS A 153 9.265 -8.664 6.018 1.00 2.11 H new ATOM 0 HE2 LYS A 153 10.661 -6.794 5.371 1.00 11.51 H new ATOM 0 HE3 LYS A 153 12.102 -7.601 5.958 1.00 11.51 H new ATOM 0 HZ1 LYS A 153 11.810 -7.757 3.538 1.00 4.44 H new ATOM 0 HZ2 LYS A 153 11.867 -9.282 4.282 1.00 4.44 H new ATOM 0 HZ3 LYS A 153 10.380 -8.643 3.769 1.00 4.44 H new ATOM 2393 N VAL A 154 7.403 -4.862 9.177 1.00 22.21 N ATOM 2394 CA VAL A 154 6.733 -3.574 9.298 1.00 10.32 C ATOM 2395 C VAL A 154 6.492 -3.201 10.749 1.00 42.33 C ATOM 2396 O VAL A 154 6.629 -2.040 11.125 1.00 51.13 O ATOM 2397 CB VAL A 154 5.389 -3.592 8.545 1.00 25.00 C ATOM 2398 CG1 VAL A 154 4.592 -2.338 8.809 1.00 1.34 C ATOM 2399 CG2 VAL A 154 5.641 -3.715 7.085 1.00 71.51 C ATOM 0 H VAL A 154 6.844 -5.577 8.711 1.00 22.21 H new ATOM 0 HA VAL A 154 7.391 -2.826 8.855 1.00 10.32 H new ATOM 0 HB VAL A 154 4.812 -4.445 8.902 1.00 25.00 H new ATOM 0 HG11 VAL A 154 3.650 -2.384 8.263 1.00 1.34 H new ATOM 0 HG12 VAL A 154 4.389 -2.254 9.877 1.00 1.34 H new ATOM 0 HG13 VAL A 154 5.161 -1.469 8.479 1.00 1.34 H new ATOM 0 HG21 VAL A 154 4.691 -3.728 6.552 1.00 71.51 H new ATOM 0 HG22 VAL A 154 6.236 -2.867 6.746 1.00 71.51 H new ATOM 0 HG23 VAL A 154 6.181 -4.640 6.886 1.00 71.51 H new ATOM 2409 N LYS A 155 6.158 -4.193 11.552 1.00 44.21 N ATOM 2410 CA LYS A 155 5.835 -4.022 12.922 1.00 24.33 C ATOM 2411 C LYS A 155 6.913 -3.227 13.659 1.00 24.41 C ATOM 2412 O LYS A 155 6.605 -2.283 14.382 1.00 31.42 O ATOM 2413 CB LYS A 155 5.724 -5.402 13.494 1.00 12.14 C ATOM 2414 CG LYS A 155 5.241 -5.500 14.880 1.00 11.25 C ATOM 2415 CD LYS A 155 5.188 -6.942 15.267 1.00 71.34 C ATOM 2416 CE LYS A 155 4.648 -7.087 16.626 1.00 12.40 C ATOM 2417 NZ LYS A 155 4.617 -8.494 17.060 1.00 73.21 N ATOM 0 H LYS A 155 6.108 -5.163 11.242 1.00 44.21 H new ATOM 0 HA LYS A 155 4.908 -3.459 13.032 1.00 24.33 H new ATOM 0 HB2 LYS A 155 5.056 -5.982 12.858 1.00 12.14 H new ATOM 0 HB3 LYS A 155 6.705 -5.874 13.440 1.00 12.14 H new ATOM 0 HG2 LYS A 155 5.903 -4.953 15.551 1.00 11.25 H new ATOM 0 HG3 LYS A 155 4.253 -5.048 14.969 1.00 11.25 H new ATOM 0 HD2 LYS A 155 4.566 -7.492 14.561 1.00 71.34 H new ATOM 0 HD3 LYS A 155 6.187 -7.376 15.217 1.00 71.34 H new ATOM 0 HE2 LYS A 155 5.255 -6.506 17.321 1.00 12.40 H new ATOM 0 HE3 LYS A 155 3.640 -6.674 16.661 1.00 12.40 H new ATOM 0 HZ1 LYS A 155 4.230 -8.552 18.023 1.00 73.21 H new ATOM 0 HZ2 LYS A 155 4.017 -9.044 16.412 1.00 73.21 H new ATOM 0 HZ3 LYS A 155 5.582 -8.881 17.051 1.00 73.21 H new ATOM 2431 N ASN A 156 8.163 -3.604 13.483 1.00 31.23 N ATOM 2432 CA ASN A 156 9.234 -2.888 14.156 1.00 73.02 C ATOM 2433 C ASN A 156 10.083 -2.095 13.205 1.00 22.11 C ATOM 2434 O ASN A 156 10.456 -0.945 13.480 1.00 41.23 O ATOM 2435 CB ASN A 156 10.133 -3.825 14.908 1.00 64.35 C ATOM 2436 CG ASN A 156 9.468 -4.582 16.063 1.00 51.24 C ATOM 2437 OD1 ASN A 156 8.272 -4.881 16.070 1.00 24.14 O ATOM 2438 ND2 ASN A 156 10.248 -4.909 17.017 1.00 63.24 N ATOM 0 H ASN A 156 8.461 -4.382 12.895 1.00 31.23 H new ATOM 0 HA ASN A 156 8.738 -2.205 14.846 1.00 73.02 H new ATOM 0 HB2 ASN A 156 10.542 -4.552 14.206 1.00 64.35 H new ATOM 0 HB3 ASN A 156 10.974 -3.256 15.304 1.00 64.35 H new ATOM 0 HD21 ASN A 156 9.887 -5.432 17.814 1.00 63.24 H new ATOM 0 HD22 ASN A 156 11.233 -4.647 16.983 1.00 63.24 H new ATOM 2445 N GLY A 157 10.393 -2.701 12.098 1.00 61.03 N ATOM 2446 CA GLY A 157 11.334 -2.140 11.196 1.00 52.42 C ATOM 2447 C GLY A 157 12.701 -2.737 11.417 1.00 53.21 C ATOM 2448 O GLY A 157 13.501 -2.192 12.176 1.00 11.13 O ATOM 0 H GLY A 157 9.999 -3.594 11.802 1.00 61.03 H new ATOM 0 HA2 GLY A 157 11.014 -2.320 10.170 1.00 52.42 H new ATOM 0 HA3 GLY A 157 11.377 -1.059 11.332 1.00 52.42 H new