USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 875 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 134 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 137 MET CE :methyl 172:sc= 0 (180deg=-0.0976) USER MOD Set 2.1: A 70 TYR OH : rot -121:sc= 0.74 USER MOD Set 2.2: A 115 HIS : no HD1:sc= -0.776! C(o=-0.036!,f=-8.3!) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 112 ASN : amide:sc= -4.73! C(o=-4.7!,f=-11!) USER MOD Set 4.1: A 56 THR OG1 : rot -59:sc= 0.0263 USER MOD Set 4.2: A 69 HIS : no HD1:sc= -0.142 X(o=-0.12,f=-0.015) USER MOD Set 5.1: A 14 ASN : amide:sc= -8.08! C(o=-7.2!,f=-7.1!) USER MOD Set 5.2: A 34 THR OG1 : rot 23:sc= 0.891 USER MOD Single : A 8 CYS SG : rot 122:sc= -3.6! USER MOD Single : A 9 ASN : amide:sc= -0.03 K(o=-0.03,f=-0.54) USER MOD Single : A 15 SER OG : rot 39:sc= 0.102 USER MOD Single : A 18 MET CE :methyl 163:sc= -0.0842 (180deg=-0.285) USER MOD Single : A 22 THR OG1 : rot 56:sc= 1.01 USER MOD Single : A 25 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.29) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -107:sc= -0.338 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= -2.47 K(o=-2.5,f=-4.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 36:sc= 0.417 USER MOD Single : A 60 ASN : amide:sc= -0.0391 X(o=-0.039,f=-0.052) USER MOD Single : A 61 GLN : amide:sc= -0.887 X(o=-0.89,f=-0.62) USER MOD Single : A 73 ASN : amide:sc= -1.69 X(o=-1.7,f=-2.1) USER MOD Single : A 74 THR OG1 : rot -66:sc= 0.836 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0273 USER MOD Single : A 78 CYS SG : rot -29:sc= -1.32! USER MOD Single : A 83 GLN : amide:sc= -5.66! K(o=-5.7!,f=-2.1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 CYS SG : rot 120:sc= -0.32 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 54 N GLY A 5 -7.554 -7.142 -14.966 1.00 0.00 N ATOM 55 CA GLY A 5 -7.465 -5.737 -15.410 1.00 0.00 C ATOM 56 C GLY A 5 -7.876 -4.783 -14.280 1.00 0.00 C ATOM 57 O GLY A 5 -8.971 -4.228 -14.290 1.00 0.00 O ATOM 0 HA2 GLY A 5 -6.446 -5.515 -15.728 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.109 -5.582 -16.275 1.00 0.00 H new ATOM 61 N ALA A 6 -6.989 -4.670 -13.296 1.00 0.00 N ATOM 62 CA ALA A 6 -7.173 -3.769 -12.141 1.00 0.00 C ATOM 63 C ALA A 6 -6.247 -2.553 -12.236 1.00 0.00 C ATOM 64 O ALA A 6 -5.107 -2.663 -12.693 1.00 0.00 O ATOM 65 CB ALA A 6 -6.898 -4.537 -10.850 1.00 0.00 C ATOM 0 H ALA A 6 -6.117 -5.198 -13.268 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.202 -3.408 -12.142 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.033 -3.873 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.590 -5.376 -10.771 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.874 -4.911 -10.860 1.00 0.00 H new ATOM 71 N ALA A 7 -6.729 -1.447 -11.671 1.00 0.00 N ATOM 72 CA ALA A 7 -6.134 -0.099 -11.788 1.00 0.00 C ATOM 73 C ALA A 7 -6.947 0.941 -11.000 1.00 0.00 C ATOM 74 O ALA A 7 -8.108 1.196 -11.311 1.00 0.00 O ATOM 75 CB ALA A 7 -6.081 0.352 -13.258 1.00 0.00 C ATOM 0 H ALA A 7 -7.573 -1.456 -11.098 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.126 -0.164 -11.379 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.639 1.347 -13.318 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.475 -0.349 -13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.091 0.378 -13.667 1.00 0.00 H new ATOM 81 N CYS A 8 -6.411 1.349 -9.856 1.00 0.00 N ATOM 82 CA CYS A 8 -7.017 2.454 -9.082 1.00 0.00 C ATOM 83 C CYS A 8 -6.017 3.594 -8.814 1.00 0.00 C ATOM 84 O CYS A 8 -4.822 3.430 -9.058 1.00 0.00 O ATOM 85 CB CYS A 8 -7.575 1.894 -7.769 1.00 0.00 C ATOM 86 SG CYS A 8 -6.267 1.571 -6.535 1.00 0.00 S ATOM 0 H CYS A 8 -5.572 0.947 -9.439 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.825 2.887 -9.672 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -8.295 2.599 -7.354 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -8.115 0.969 -7.972 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.511 2.253 -5.456 1.00 0.00 H new ATOM 92 N ASN A 9 -6.469 4.539 -7.992 1.00 0.00 N ATOM 93 CA ASN A 9 -5.673 5.704 -7.574 1.00 0.00 C ATOM 94 C ASN A 9 -5.506 5.764 -6.054 1.00 0.00 C ATOM 95 O ASN A 9 -6.469 5.937 -5.299 1.00 0.00 O ATOM 96 CB ASN A 9 -6.335 6.987 -8.066 1.00 0.00 C ATOM 97 CG ASN A 9 -5.423 7.776 -8.996 1.00 0.00 C ATOM 98 OD1 ASN A 9 -4.218 7.869 -8.813 1.00 0.00 O ATOM 99 ND2 ASN A 9 -6.005 8.354 -10.019 1.00 0.00 N ATOM 0 H ASN A 9 -7.406 4.522 -7.590 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.682 5.602 -8.017 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.260 6.741 -8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.606 7.607 -7.211 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.450 8.895 -10.682 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.012 8.262 -10.151 1.00 0.00 H new ATOM 106 N VAL A 10 -4.253 5.593 -5.663 1.00 0.00 N ATOM 107 CA VAL A 10 -3.831 5.650 -4.251 1.00 0.00 C ATOM 108 C VAL A 10 -2.723 6.707 -4.114 1.00 0.00 C ATOM 109 O VAL A 10 -2.155 7.195 -5.088 1.00 0.00 O ATOM 110 CB VAL A 10 -3.421 4.282 -3.648 1.00 0.00 C ATOM 111 CG1 VAL A 10 -4.494 3.208 -3.845 1.00 0.00 C ATOM 112 CG2 VAL A 10 -2.066 3.749 -4.111 1.00 0.00 C ATOM 0 H VAL A 10 -3.487 5.409 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.698 5.940 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.319 4.500 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.156 2.270 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.418 3.524 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.673 3.064 -4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.870 2.789 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.076 3.621 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.284 4.457 -3.837 1.00 0.00 H new ATOM 122 N LEU A 11 -2.499 7.115 -2.883 1.00 0.00 N ATOM 123 CA LEU A 11 -1.454 8.086 -2.563 1.00 0.00 C ATOM 124 C LEU A 11 -0.272 7.352 -1.920 1.00 0.00 C ATOM 125 O LEU A 11 -0.388 6.736 -0.861 1.00 0.00 O ATOM 126 CB LEU A 11 -2.096 9.157 -1.678 1.00 0.00 C ATOM 127 CG LEU A 11 -1.189 10.363 -1.461 1.00 0.00 C ATOM 128 CD1 LEU A 11 -2.028 11.588 -1.121 1.00 0.00 C ATOM 129 CD2 LEU A 11 -0.269 10.090 -0.282 1.00 0.00 C ATOM 0 H LEU A 11 -3.029 6.790 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.045 8.586 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.030 9.487 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.350 8.720 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.615 10.540 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.374 12.446 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.715 11.798 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.597 11.398 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.382 10.949 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.866 9.916 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.338 9.209 -0.490 1.00 0.00 H new ATOM 141 N PHE A 12 0.822 7.394 -2.669 1.00 0.00 N ATOM 142 CA PHE A 12 2.139 6.834 -2.328 1.00 0.00 C ATOM 143 C PHE A 12 2.696 7.605 -1.131 1.00 0.00 C ATOM 144 O PHE A 12 2.711 8.837 -1.123 1.00 0.00 O ATOM 145 CB PHE A 12 3.096 7.054 -3.507 1.00 0.00 C ATOM 146 CG PHE A 12 4.376 6.220 -3.424 1.00 0.00 C ATOM 147 CD1 PHE A 12 5.386 6.558 -2.531 1.00 0.00 C ATOM 148 CD2 PHE A 12 4.515 5.101 -4.237 1.00 0.00 C ATOM 149 CE1 PHE A 12 6.526 5.772 -2.439 1.00 0.00 C ATOM 150 CE2 PHE A 12 5.660 4.320 -4.157 1.00 0.00 C ATOM 151 CZ PHE A 12 6.666 4.659 -3.259 1.00 0.00 C ATOM 0 H PHE A 12 0.822 7.844 -3.585 1.00 0.00 H new ATOM 0 HA PHE A 12 2.043 5.772 -2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.576 6.815 -4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.363 8.110 -3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.283 7.434 -1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.731 4.839 -4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.302 6.025 -1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.769 3.452 -4.790 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.559 4.055 -3.199 1.00 0.00 H new ATOM 161 N ILE A 13 3.194 6.824 -0.185 1.00 0.00 N ATOM 162 CA ILE A 13 3.879 7.389 0.986 1.00 0.00 C ATOM 163 C ILE A 13 5.381 7.050 0.901 1.00 0.00 C ATOM 164 O ILE A 13 6.182 7.897 0.515 1.00 0.00 O ATOM 165 CB ILE A 13 3.236 6.891 2.294 1.00 0.00 C ATOM 166 CG1 ILE A 13 1.707 7.045 2.384 1.00 0.00 C ATOM 167 CG2 ILE A 13 3.941 7.557 3.472 1.00 0.00 C ATOM 168 CD1 ILE A 13 1.162 8.468 2.297 1.00 0.00 C ATOM 0 H ILE A 13 3.142 5.805 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 13 3.773 8.474 0.989 1.00 0.00 H new ATOM 0 HB ILE A 13 3.379 5.811 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.257 6.457 1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.375 6.609 3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.495 7.213 4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.999 7.296 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.833 8.639 3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.075 8.446 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.571 9.065 3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.451 8.911 1.344 1.00 0.00 H new ATOM 180 N ASN A 14 5.728 5.843 1.348 1.00 0.00 N ATOM 181 CA ASN A 14 7.104 5.309 1.370 1.00 0.00 C ATOM 182 C ASN A 14 7.076 3.824 1.777 1.00 0.00 C ATOM 183 O ASN A 14 6.074 3.322 2.293 1.00 0.00 O ATOM 184 CB ASN A 14 8.005 6.104 2.339 1.00 0.00 C ATOM 185 CG ASN A 14 7.750 5.815 3.823 1.00 0.00 C ATOM 186 OD1 ASN A 14 8.108 4.763 4.332 1.00 0.00 O ATOM 187 ND2 ASN A 14 7.076 6.686 4.528 1.00 0.00 N ATOM 0 H ASN A 14 5.043 5.184 1.718 1.00 0.00 H new ATOM 0 HA ASN A 14 7.523 5.409 0.369 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.047 5.881 2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.860 7.169 2.159 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.849 6.487 5.502 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.777 7.564 4.103 1.00 0.00 H new ATOM 194 N SER A 15 8.214 3.172 1.565 1.00 0.00 N ATOM 195 CA SER A 15 8.451 1.804 2.049 1.00 0.00 C ATOM 196 C SER A 15 9.413 1.832 3.240 1.00 0.00 C ATOM 197 O SER A 15 10.568 2.246 3.145 1.00 0.00 O ATOM 198 CB SER A 15 8.987 0.881 0.948 1.00 0.00 C ATOM 199 OG SER A 15 10.169 1.385 0.320 1.00 0.00 O ATOM 0 H SER A 15 9.002 3.571 1.054 1.00 0.00 H new ATOM 0 HA SER A 15 7.491 1.396 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.199 -0.099 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.214 0.739 0.193 1.00 0.00 H new ATOM 0 HG SER A 15 10.746 1.800 0.994 1.00 0.00 H new ATOM 205 N VAL A 16 8.871 1.405 4.371 1.00 0.00 N ATOM 206 CA VAL A 16 9.646 1.279 5.621 1.00 0.00 C ATOM 207 C VAL A 16 9.959 -0.187 5.902 1.00 0.00 C ATOM 208 O VAL A 16 9.085 -1.054 5.976 1.00 0.00 O ATOM 209 CB VAL A 16 9.038 1.964 6.858 1.00 0.00 C ATOM 210 CG1 VAL A 16 9.355 3.458 6.860 1.00 0.00 C ATOM 211 CG2 VAL A 16 7.529 1.775 6.965 1.00 0.00 C ATOM 0 H VAL A 16 7.891 1.135 4.460 1.00 0.00 H new ATOM 0 HA VAL A 16 10.566 1.834 5.439 1.00 0.00 H new ATOM 0 HB VAL A 16 9.495 1.481 7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.916 3.922 7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.436 3.601 6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.940 3.919 5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.161 2.281 7.857 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.046 2.197 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.299 0.712 7.031 1.00 0.00 H new ATOM 221 N GLU A 17 11.252 -0.451 5.751 1.00 0.00 N ATOM 222 CA GLU A 17 11.810 -1.795 5.946 1.00 0.00 C ATOM 223 C GLU A 17 11.497 -2.301 7.363 1.00 0.00 C ATOM 224 O GLU A 17 11.590 -1.583 8.352 1.00 0.00 O ATOM 225 CB GLU A 17 13.316 -1.762 5.679 1.00 0.00 C ATOM 226 CG GLU A 17 13.742 -3.078 5.030 1.00 0.00 C ATOM 227 CD GLU A 17 15.233 -3.101 4.692 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.564 -2.655 3.572 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.993 -3.606 5.544 1.00 0.00 O ATOM 0 H GLU A 17 11.944 0.252 5.492 1.00 0.00 H new ATOM 0 HA GLU A 17 11.352 -2.490 5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.563 -0.925 5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.859 -1.610 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.511 -3.904 5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.163 -3.236 4.120 1.00 0.00 H new ATOM 236 N MET A 18 10.975 -3.515 7.363 1.00 0.00 N ATOM 237 CA MET A 18 10.525 -4.235 8.567 1.00 0.00 C ATOM 238 C MET A 18 11.511 -5.299 9.053 1.00 0.00 C ATOM 239 O MET A 18 11.394 -5.767 10.180 1.00 0.00 O ATOM 240 CB MET A 18 9.165 -4.887 8.301 1.00 0.00 C ATOM 241 CG MET A 18 8.044 -3.850 8.254 1.00 0.00 C ATOM 242 SD MET A 18 7.724 -3.026 9.859 1.00 0.00 S ATOM 243 CE MET A 18 8.315 -1.386 9.506 1.00 0.00 C ATOM 0 H MET A 18 10.844 -4.053 6.506 1.00 0.00 H new ATOM 0 HA MET A 18 10.452 -3.490 9.360 1.00 0.00 H new ATOM 0 HB2 MET A 18 9.199 -5.430 7.356 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.953 -5.618 9.081 1.00 0.00 H new ATOM 0 HG2 MET A 18 8.295 -3.092 7.512 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.128 -4.335 7.917 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.927 -0.691 10.251 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.405 -1.378 9.535 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.976 -1.083 8.515 1.00 0.00 H new ATOM 253 N GLU A 19 12.353 -5.786 8.134 1.00 0.00 N ATOM 254 CA GLU A 19 13.346 -6.860 8.384 1.00 0.00 C ATOM 255 C GLU A 19 12.677 -8.197 8.789 1.00 0.00 C ATOM 256 O GLU A 19 13.219 -9.000 9.541 1.00 0.00 O ATOM 257 CB GLU A 19 14.334 -6.352 9.448 1.00 0.00 C ATOM 258 CG GLU A 19 15.659 -7.115 9.521 1.00 0.00 C ATOM 259 CD GLU A 19 16.365 -6.790 10.838 1.00 0.00 C ATOM 260 OE1 GLU A 19 16.851 -5.643 10.960 1.00 0.00 O ATOM 261 OE2 GLU A 19 16.349 -7.671 11.724 1.00 0.00 O ATOM 0 H GLU A 19 12.371 -5.444 7.173 1.00 0.00 H new ATOM 0 HA GLU A 19 13.884 -7.084 7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.548 -5.302 9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.850 -6.401 10.424 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.477 -8.187 9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.295 -6.842 8.679 1.00 0.00 H new ATOM 268 N SER A 20 11.468 -8.394 8.247 1.00 0.00 N ATOM 269 CA SER A 20 10.612 -9.596 8.395 1.00 0.00 C ATOM 270 C SER A 20 9.999 -9.649 9.806 1.00 0.00 C ATOM 271 O SER A 20 10.547 -10.234 10.736 1.00 0.00 O ATOM 272 CB SER A 20 11.389 -10.888 8.093 1.00 0.00 C ATOM 273 OG SER A 20 10.528 -11.958 7.703 1.00 0.00 O ATOM 0 H SER A 20 11.030 -7.685 7.660 1.00 0.00 H new ATOM 0 HA SER A 20 9.806 -9.520 7.665 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.112 -10.698 7.299 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.956 -11.184 8.976 1.00 0.00 H new ATOM 0 HG SER A 20 11.063 -12.758 7.519 1.00 0.00 H new ATOM 279 N LEU A 21 8.940 -8.854 9.966 1.00 0.00 N ATOM 280 CA LEU A 21 8.188 -8.775 11.234 1.00 0.00 C ATOM 281 C LEU A 21 7.275 -9.996 11.465 1.00 0.00 C ATOM 282 O LEU A 21 7.667 -10.881 12.211 1.00 0.00 O ATOM 283 CB LEU A 21 7.452 -7.434 11.371 1.00 0.00 C ATOM 284 CG LEU A 21 7.912 -6.658 12.613 1.00 0.00 C ATOM 285 CD1 LEU A 21 9.268 -5.984 12.405 1.00 0.00 C ATOM 286 CD2 LEU A 21 6.880 -5.607 13.010 1.00 0.00 C ATOM 0 H LEU A 21 8.576 -8.248 9.231 1.00 0.00 H new ATOM 0 HA LEU A 21 8.920 -8.811 12.041 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.626 -6.831 10.480 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.378 -7.613 11.430 1.00 0.00 H new ATOM 0 HG LEU A 21 8.016 -7.389 13.415 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.551 -5.448 13.311 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.020 -6.741 12.182 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.202 -5.282 11.574 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.228 -5.070 13.892 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.742 -4.904 12.189 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.931 -6.095 13.233 1.00 0.00 H new ATOM 298 N THR A 22 6.134 -10.026 10.765 1.00 0.00 N ATOM 299 CA THR A 22 5.073 -11.074 10.793 1.00 0.00 C ATOM 300 C THR A 22 3.947 -10.690 9.812 1.00 0.00 C ATOM 301 O THR A 22 4.050 -10.973 8.620 1.00 0.00 O ATOM 302 CB THR A 22 4.620 -11.471 12.229 1.00 0.00 C ATOM 303 OG1 THR A 22 5.499 -12.497 12.681 1.00 0.00 O ATOM 304 CG2 THR A 22 3.197 -12.019 12.418 1.00 0.00 C ATOM 0 H THR A 22 5.899 -9.274 10.117 1.00 0.00 H new ATOM 0 HA THR A 22 5.491 -12.014 10.433 1.00 0.00 H new ATOM 0 HB THR A 22 4.641 -10.531 12.780 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.426 -12.183 12.622 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.033 -12.249 13.471 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.473 -11.272 12.092 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.074 -12.925 11.825 1.00 0.00 H new ATOM 312 N GLY A 23 3.017 -9.847 10.285 1.00 0.00 N ATOM 313 CA GLY A 23 1.850 -9.406 9.498 1.00 0.00 C ATOM 314 C GLY A 23 1.100 -8.270 10.217 1.00 0.00 C ATOM 315 O GLY A 23 1.511 -7.120 10.033 1.00 0.00 O ATOM 0 H GLY A 23 3.051 -9.450 11.224 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.177 -9.066 8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.176 -10.247 9.337 1.00 0.00 H new ATOM 319 N PRO A 24 0.184 -8.588 11.155 1.00 0.00 N ATOM 320 CA PRO A 24 -0.561 -7.587 11.958 1.00 0.00 C ATOM 321 C PRO A 24 0.287 -6.908 13.058 1.00 0.00 C ATOM 322 O PRO A 24 -0.132 -6.717 14.194 1.00 0.00 O ATOM 323 CB PRO A 24 -1.750 -8.372 12.520 1.00 0.00 C ATOM 324 CG PRO A 24 -1.165 -9.765 12.742 1.00 0.00 C ATOM 325 CD PRO A 24 -0.252 -9.952 11.529 1.00 0.00 C ATOM 0 HA PRO A 24 -0.872 -6.739 11.349 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.119 -7.936 13.448 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.587 -8.392 11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.610 -9.825 13.678 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.943 -10.528 12.783 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.601 -10.585 11.773 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.782 -10.434 10.708 1.00 0.00 H new ATOM 333 N GLN A 25 1.476 -6.486 12.644 1.00 0.00 N ATOM 334 CA GLN A 25 2.475 -5.797 13.482 1.00 0.00 C ATOM 335 C GLN A 25 3.340 -4.858 12.635 1.00 0.00 C ATOM 336 O GLN A 25 3.400 -3.665 12.923 1.00 0.00 O ATOM 337 CB GLN A 25 3.354 -6.815 14.221 1.00 0.00 C ATOM 338 CG GLN A 25 4.127 -6.165 15.376 1.00 0.00 C ATOM 339 CD GLN A 25 3.193 -5.583 16.441 1.00 0.00 C ATOM 340 OE1 GLN A 25 2.282 -6.226 16.942 1.00 0.00 O ATOM 341 NE2 GLN A 25 3.387 -4.334 16.794 1.00 0.00 N ATOM 0 H GLN A 25 1.791 -6.614 11.682 1.00 0.00 H new ATOM 0 HA GLN A 25 1.943 -5.198 14.222 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.730 -7.621 14.608 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.057 -7.265 13.520 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.782 -6.906 15.835 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.766 -5.374 14.984 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.147 -3.798 16.376 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.777 -3.899 17.487 1.00 0.00 H new ATOM 350 N ALA A 26 3.800 -5.361 11.485 1.00 0.00 N ATOM 351 CA ALA A 26 4.559 -4.575 10.497 1.00 0.00 C ATOM 352 C ALA A 26 3.769 -3.362 9.993 1.00 0.00 C ATOM 353 O ALA A 26 4.269 -2.250 10.065 1.00 0.00 O ATOM 354 CB ALA A 26 4.941 -5.473 9.323 1.00 0.00 C ATOM 0 H ALA A 26 3.657 -6.332 11.208 1.00 0.00 H new ATOM 0 HA ALA A 26 5.455 -4.195 10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.503 -4.894 8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.555 -6.299 9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.038 -5.868 8.858 1.00 0.00 H new ATOM 360 N ILE A 27 2.462 -3.560 9.831 1.00 0.00 N ATOM 361 CA ILE A 27 1.516 -2.499 9.434 1.00 0.00 C ATOM 362 C ILE A 27 1.469 -1.398 10.519 1.00 0.00 C ATOM 363 O ILE A 27 1.713 -0.247 10.195 1.00 0.00 O ATOM 364 CB ILE A 27 0.129 -3.092 9.114 1.00 0.00 C ATOM 365 CG1 ILE A 27 0.247 -4.328 8.205 1.00 0.00 C ATOM 366 CG2 ILE A 27 -0.717 -2.045 8.375 1.00 0.00 C ATOM 367 CD1 ILE A 27 -0.886 -5.337 8.411 1.00 0.00 C ATOM 0 H ILE A 27 2.018 -4.467 9.971 1.00 0.00 H new ATOM 0 HA ILE A 27 1.864 -2.027 8.515 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.335 -3.379 10.058 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.254 -4.006 7.164 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.202 -4.820 8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.698 -2.464 8.148 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.836 -1.163 9.004 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.219 -1.764 7.447 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.745 -6.185 7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.879 -5.686 9.444 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.842 -4.860 8.195 1.00 0.00 H new ATOM 379 N SER A 28 1.518 -1.789 11.795 1.00 0.00 N ATOM 380 CA SER A 28 1.574 -0.831 12.924 1.00 0.00 C ATOM 381 C SER A 28 2.955 -0.161 13.021 1.00 0.00 C ATOM 382 O SER A 28 3.046 1.035 12.777 1.00 0.00 O ATOM 383 CB SER A 28 1.224 -1.489 14.265 1.00 0.00 C ATOM 384 OG SER A 28 1.302 -0.509 15.303 1.00 0.00 O ATOM 0 H SER A 28 1.520 -2.768 12.083 1.00 0.00 H new ATOM 0 HA SER A 28 0.822 -0.070 12.716 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.221 -1.914 14.224 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.910 -2.310 14.471 1.00 0.00 H new ATOM 0 HG SER A 28 1.078 -0.924 16.162 1.00 0.00 H new ATOM 390 N LYS A 29 4.012 -0.969 13.073 1.00 0.00 N ATOM 391 CA LYS A 29 5.414 -0.498 13.137 1.00 0.00 C ATOM 392 C LYS A 29 5.869 0.332 11.919 1.00 0.00 C ATOM 393 O LYS A 29 6.921 0.962 11.941 1.00 0.00 O ATOM 394 CB LYS A 29 6.324 -1.702 13.392 1.00 0.00 C ATOM 395 CG LYS A 29 7.349 -1.314 14.458 1.00 0.00 C ATOM 396 CD LYS A 29 7.872 -2.528 15.226 1.00 0.00 C ATOM 397 CE LYS A 29 8.616 -2.092 16.493 1.00 0.00 C ATOM 398 NZ LYS A 29 7.729 -1.937 17.660 1.00 0.00 N ATOM 0 H LYS A 29 3.929 -1.986 13.072 1.00 0.00 H new ATOM 0 HA LYS A 29 5.486 0.207 13.965 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.737 -2.558 13.724 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.827 -1.999 12.472 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.185 -0.798 13.985 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.895 -0.612 15.157 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.041 -3.180 15.493 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.540 -3.107 14.588 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.387 -2.827 16.725 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.124 -1.147 16.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.289 -1.641 18.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.008 -1.216 17.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.263 -2.844 17.865 1.00 0.00 H new ATOM 412 N ALA A 30 5.076 0.267 10.853 1.00 0.00 N ATOM 413 CA ALA A 30 5.190 1.091 9.641 1.00 0.00 C ATOM 414 C ALA A 30 4.294 2.335 9.686 1.00 0.00 C ATOM 415 O ALA A 30 4.806 3.449 9.711 1.00 0.00 O ATOM 416 CB ALA A 30 4.792 0.233 8.447 1.00 0.00 C ATOM 0 H ALA A 30 4.298 -0.391 10.803 1.00 0.00 H new ATOM 0 HA ALA A 30 6.220 1.440 9.563 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.868 0.823 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.457 -0.628 8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.765 -0.111 8.572 1.00 0.00 H new ATOM 422 N VAL A 31 2.986 2.149 9.880 1.00 0.00 N ATOM 423 CA VAL A 31 2.012 3.258 10.000 1.00 0.00 C ATOM 424 C VAL A 31 2.416 4.202 11.155 1.00 0.00 C ATOM 425 O VAL A 31 2.517 5.401 10.934 1.00 0.00 O ATOM 426 CB VAL A 31 0.563 2.744 10.143 1.00 0.00 C ATOM 427 CG1 VAL A 31 -0.447 3.885 10.306 1.00 0.00 C ATOM 428 CG2 VAL A 31 0.124 1.921 8.933 1.00 0.00 C ATOM 0 H VAL A 31 2.562 1.225 9.960 1.00 0.00 H new ATOM 0 HA VAL A 31 2.036 3.833 9.074 1.00 0.00 H new ATOM 0 HB VAL A 31 0.572 2.124 11.039 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.451 3.471 10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.204 4.461 11.199 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.405 4.535 9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.901 1.580 9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.179 2.536 8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.781 1.058 8.822 1.00 0.00 H new ATOM 438 N ALA A 32 2.897 3.643 12.261 1.00 0.00 N ATOM 439 CA ALA A 32 3.396 4.412 13.425 1.00 0.00 C ATOM 440 C ALA A 32 4.739 5.119 13.167 1.00 0.00 C ATOM 441 O ALA A 32 4.952 6.231 13.641 1.00 0.00 O ATOM 442 CB ALA A 32 3.522 3.505 14.652 1.00 0.00 C ATOM 0 H ALA A 32 2.957 2.633 12.388 1.00 0.00 H new ATOM 0 HA ALA A 32 2.657 5.192 13.607 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.890 4.086 15.498 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.546 3.086 14.897 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.220 2.696 14.436 1.00 0.00 H new ATOM 448 N GLU A 33 5.555 4.538 12.287 1.00 0.00 N ATOM 449 CA GLU A 33 6.867 5.104 11.895 1.00 0.00 C ATOM 450 C GLU A 33 6.822 5.805 10.523 1.00 0.00 C ATOM 451 O GLU A 33 7.817 5.925 9.807 1.00 0.00 O ATOM 452 CB GLU A 33 7.901 3.973 11.874 1.00 0.00 C ATOM 453 CG GLU A 33 8.196 3.426 13.274 1.00 0.00 C ATOM 454 CD GLU A 33 9.657 3.665 13.647 1.00 0.00 C ATOM 455 OE1 GLU A 33 10.496 2.844 13.217 1.00 0.00 O ATOM 456 OE2 GLU A 33 9.900 4.673 14.345 1.00 0.00 O ATOM 0 H GLU A 33 5.334 3.659 11.819 1.00 0.00 H new ATOM 0 HA GLU A 33 7.141 5.865 12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.538 3.164 11.240 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.826 4.338 11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.545 3.908 14.003 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.976 2.359 13.307 1.00 0.00 H new ATOM 463 N THR A 34 5.608 6.171 10.119 1.00 0.00 N ATOM 464 CA THR A 34 5.357 6.841 8.832 1.00 0.00 C ATOM 465 C THR A 34 4.246 7.904 8.869 1.00 0.00 C ATOM 466 O THR A 34 4.470 9.018 8.409 1.00 0.00 O ATOM 467 CB THR A 34 5.232 5.758 7.750 1.00 0.00 C ATOM 468 OG1 THR A 34 6.550 5.340 7.391 1.00 0.00 O ATOM 469 CG2 THR A 34 4.513 6.203 6.490 1.00 0.00 C ATOM 0 H THR A 34 4.765 6.014 10.671 1.00 0.00 H new ATOM 0 HA THR A 34 6.208 7.471 8.572 1.00 0.00 H new ATOM 0 HB THR A 34 4.630 4.957 8.178 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.168 5.538 8.126 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.472 5.375 5.783 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.500 6.517 6.741 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.050 7.038 6.040 1.00 0.00 H new ATOM 477 N LEU A 35 3.119 7.607 9.511 1.00 0.00 N ATOM 478 CA LEU A 35 2.038 8.595 9.737 1.00 0.00 C ATOM 479 C LEU A 35 2.531 9.749 10.632 1.00 0.00 C ATOM 480 O LEU A 35 2.111 10.889 10.459 1.00 0.00 O ATOM 481 CB LEU A 35 0.837 7.868 10.357 1.00 0.00 C ATOM 482 CG LEU A 35 -0.489 8.633 10.310 1.00 0.00 C ATOM 483 CD1 LEU A 35 -1.621 7.613 10.302 1.00 0.00 C ATOM 484 CD2 LEU A 35 -0.688 9.525 11.537 1.00 0.00 C ATOM 0 H LEU A 35 2.918 6.682 9.892 1.00 0.00 H new ATOM 0 HA LEU A 35 1.734 9.041 8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.706 6.915 9.844 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.069 7.640 11.397 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.481 9.263 9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.579 8.133 10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.526 6.971 9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.569 7.005 11.205 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.642 10.046 11.457 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.684 8.911 12.438 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.120 10.254 11.592 1.00 0.00 H new ATOM 496 N VAL A 36 3.449 9.419 11.543 1.00 0.00 N ATOM 497 CA VAL A 36 4.108 10.387 12.448 1.00 0.00 C ATOM 498 C VAL A 36 5.595 10.607 12.073 1.00 0.00 C ATOM 499 O VAL A 36 6.241 11.483 12.648 1.00 0.00 O ATOM 500 CB VAL A 36 3.918 9.927 13.917 1.00 0.00 C ATOM 501 CG1 VAL A 36 4.489 10.901 14.956 1.00 0.00 C ATOM 502 CG2 VAL A 36 2.436 9.734 14.263 1.00 0.00 C ATOM 0 H VAL A 36 3.766 8.460 11.682 1.00 0.00 H new ATOM 0 HA VAL A 36 3.635 11.363 12.335 1.00 0.00 H new ATOM 0 HB VAL A 36 4.468 8.987 13.969 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.316 10.507 15.958 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.560 11.020 14.793 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.997 11.869 14.857 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.343 9.412 15.300 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.905 10.676 14.127 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.005 8.977 13.608 1.00 0.00 H new ATOM 512 N ALA A 37 6.096 9.919 11.033 1.00 0.00 N ATOM 513 CA ALA A 37 7.494 10.049 10.559 1.00 0.00 C ATOM 514 C ALA A 37 7.879 11.527 10.424 1.00 0.00 C ATOM 515 O ALA A 37 7.111 12.325 9.890 1.00 0.00 O ATOM 516 CB ALA A 37 7.686 9.379 9.196 1.00 0.00 C ATOM 0 H ALA A 37 5.544 9.253 10.492 1.00 0.00 H new ATOM 0 HA ALA A 37 8.129 9.558 11.296 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.722 9.493 8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.445 8.319 9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.028 9.848 8.464 1.00 0.00 H new ATOM 522 N ASP A 38 8.850 11.900 11.245 1.00 0.00 N ATOM 523 CA ASP A 38 9.286 13.296 11.351 1.00 0.00 C ATOM 524 C ASP A 38 10.775 13.423 10.970 1.00 0.00 C ATOM 525 O ASP A 38 11.612 12.832 11.652 1.00 0.00 O ATOM 526 CB ASP A 38 8.998 13.836 12.757 1.00 0.00 C ATOM 527 CG ASP A 38 9.160 15.358 12.802 1.00 0.00 C ATOM 528 OD1 ASP A 38 10.326 15.796 12.907 1.00 0.00 O ATOM 529 OD2 ASP A 38 8.138 16.050 12.608 1.00 0.00 O ATOM 0 H ASP A 38 9.357 11.256 11.853 1.00 0.00 H new ATOM 0 HA ASP A 38 8.720 13.906 10.647 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.985 13.565 13.054 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.675 13.373 13.475 1.00 0.00 H new ATOM 534 N PRO A 39 11.037 14.113 9.855 1.00 0.00 N ATOM 535 CA PRO A 39 10.042 14.719 8.941 1.00 0.00 C ATOM 536 C PRO A 39 9.288 13.672 8.097 1.00 0.00 C ATOM 537 O PRO A 39 9.781 12.564 7.895 1.00 0.00 O ATOM 538 CB PRO A 39 10.854 15.685 8.079 1.00 0.00 C ATOM 539 CG PRO A 39 12.235 15.031 8.015 1.00 0.00 C ATOM 540 CD PRO A 39 12.412 14.421 9.406 1.00 0.00 C ATOM 0 HA PRO A 39 9.248 15.226 9.490 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.418 15.801 7.087 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.901 16.679 8.525 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.282 14.271 7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.014 15.761 7.796 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.028 13.522 9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 39 12.904 15.117 10.085 1.00 0.00 H new ATOM 548 N THR A 40 8.055 14.009 7.733 1.00 0.00 N ATOM 549 CA THR A 40 7.197 13.096 6.942 1.00 0.00 C ATOM 550 C THR A 40 7.494 13.206 5.429 1.00 0.00 C ATOM 551 O THR A 40 7.791 14.305 4.960 1.00 0.00 O ATOM 552 CB THR A 40 5.702 13.264 7.292 1.00 0.00 C ATOM 553 OG1 THR A 40 5.022 12.047 6.979 1.00 0.00 O ATOM 554 CG2 THR A 40 4.989 14.438 6.605 1.00 0.00 C ATOM 0 H THR A 40 7.617 14.901 7.966 1.00 0.00 H new ATOM 0 HA THR A 40 7.450 12.073 7.222 1.00 0.00 H new ATOM 0 HB THR A 40 5.669 13.498 8.356 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.470 12.177 6.180 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.946 14.465 6.920 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.476 15.373 6.883 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.038 14.311 5.524 1.00 0.00 H new ATOM 562 N PRO A 41 7.491 12.082 4.704 1.00 0.00 N ATOM 563 CA PRO A 41 7.657 12.093 3.237 1.00 0.00 C ATOM 564 C PRO A 41 6.453 12.730 2.532 1.00 0.00 C ATOM 565 O PRO A 41 5.328 12.744 3.034 1.00 0.00 O ATOM 566 CB PRO A 41 7.844 10.627 2.846 1.00 0.00 C ATOM 567 CG PRO A 41 7.082 9.880 3.937 1.00 0.00 C ATOM 568 CD PRO A 41 7.377 10.696 5.196 1.00 0.00 C ATOM 0 HA PRO A 41 8.510 12.699 2.931 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.439 10.419 1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.897 10.346 2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.014 9.840 3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.427 8.851 4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.579 10.598 5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.297 10.367 5.679 1.00 0.00 H new ATOM 576 N THR A 42 6.758 13.277 1.365 1.00 0.00 N ATOM 577 CA THR A 42 5.775 13.924 0.477 1.00 0.00 C ATOM 578 C THR A 42 4.818 12.916 -0.167 1.00 0.00 C ATOM 579 O THR A 42 5.192 11.857 -0.667 1.00 0.00 O ATOM 580 CB THR A 42 6.474 14.773 -0.594 1.00 0.00 C ATOM 581 OG1 THR A 42 7.630 14.090 -1.093 1.00 0.00 O ATOM 582 CG2 THR A 42 6.838 16.154 -0.042 1.00 0.00 C ATOM 0 H THR A 42 7.708 13.290 0.993 1.00 0.00 H new ATOM 0 HA THR A 42 5.172 14.583 1.102 1.00 0.00 H new ATOM 0 HB THR A 42 5.784 14.923 -1.425 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.066 14.641 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.332 16.738 -0.819 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.932 16.669 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.510 16.040 0.809 1.00 0.00 H new ATOM 590 N ALA A 43 3.550 13.261 -0.004 1.00 0.00 N ATOM 591 CA ALA A 43 2.384 12.527 -0.521 1.00 0.00 C ATOM 592 C ALA A 43 2.288 12.609 -2.057 1.00 0.00 C ATOM 593 O ALA A 43 2.242 13.703 -2.621 1.00 0.00 O ATOM 594 CB ALA A 43 1.177 13.181 0.154 1.00 0.00 C ATOM 0 H ALA A 43 3.284 14.098 0.515 1.00 0.00 H new ATOM 0 HA ALA A 43 2.448 11.462 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.263 12.690 -0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.268 13.083 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.139 14.237 -0.113 1.00 0.00 H new ATOM 600 N THR A 44 2.400 11.470 -2.741 1.00 0.00 N ATOM 601 CA THR A 44 2.300 11.448 -4.222 1.00 0.00 C ATOM 602 C THR A 44 1.174 10.548 -4.752 1.00 0.00 C ATOM 603 O THR A 44 1.054 9.390 -4.376 1.00 0.00 O ATOM 604 CB THR A 44 3.673 11.112 -4.836 1.00 0.00 C ATOM 605 OG1 THR A 44 4.531 12.218 -4.564 1.00 0.00 O ATOM 606 CG2 THR A 44 3.682 10.864 -6.352 1.00 0.00 C ATOM 0 H THR A 44 2.558 10.558 -2.313 1.00 0.00 H new ATOM 0 HA THR A 44 2.014 12.449 -4.544 1.00 0.00 H new ATOM 0 HB THR A 44 3.993 10.172 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.419 12.043 -4.938 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.697 10.637 -6.677 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.029 10.024 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.327 11.756 -6.869 1.00 0.00 H new ATOM 614 N ILE A 45 0.483 11.042 -5.773 1.00 0.00 N ATOM 615 CA ILE A 45 -0.584 10.280 -6.455 1.00 0.00 C ATOM 616 C ILE A 45 0.050 9.208 -7.362 1.00 0.00 C ATOM 617 O ILE A 45 0.891 9.489 -8.219 1.00 0.00 O ATOM 618 CB ILE A 45 -1.545 11.212 -7.215 1.00 0.00 C ATOM 619 CG1 ILE A 45 -2.129 12.257 -6.247 1.00 0.00 C ATOM 620 CG2 ILE A 45 -2.659 10.406 -7.900 1.00 0.00 C ATOM 621 CD1 ILE A 45 -2.940 13.389 -6.894 1.00 0.00 C ATOM 0 H ILE A 45 0.637 11.974 -6.157 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.195 9.770 -5.710 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.991 11.733 -7.996 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.768 11.742 -5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.308 12.700 -5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.326 11.085 -8.431 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.218 9.704 -8.608 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.225 9.856 -7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.302 14.065 -6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.306 13.940 -7.589 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.788 12.967 -7.433 1.00 0.00 H new ATOM 633 N VAL A 46 -0.321 7.981 -7.026 1.00 0.00 N ATOM 634 CA VAL A 46 0.142 6.755 -7.693 1.00 0.00 C ATOM 635 C VAL A 46 -1.052 5.845 -8.037 1.00 0.00 C ATOM 636 O VAL A 46 -2.088 5.830 -7.373 1.00 0.00 O ATOM 637 CB VAL A 46 1.196 6.098 -6.777 1.00 0.00 C ATOM 638 CG1 VAL A 46 0.624 5.482 -5.502 1.00 0.00 C ATOM 639 CG2 VAL A 46 2.033 5.060 -7.511 1.00 0.00 C ATOM 0 H VAL A 46 -0.970 7.797 -6.261 1.00 0.00 H new ATOM 0 HA VAL A 46 0.616 6.968 -8.651 1.00 0.00 H new ATOM 0 HB VAL A 46 1.835 6.928 -6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.431 5.042 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.129 6.255 -4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.097 4.708 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.760 4.627 -6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.383 4.274 -7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.557 5.535 -8.341 1.00 0.00 H new ATOM 649 N HIS A 47 -0.856 5.047 -9.072 1.00 0.00 N ATOM 650 CA HIS A 47 -1.845 4.043 -9.486 1.00 0.00 C ATOM 651 C HIS A 47 -1.445 2.643 -8.981 1.00 0.00 C ATOM 652 O HIS A 47 -0.352 2.161 -9.265 1.00 0.00 O ATOM 653 CB HIS A 47 -1.968 4.208 -11.001 1.00 0.00 C ATOM 654 CG HIS A 47 -2.313 2.940 -11.796 1.00 0.00 C ATOM 655 ND1 HIS A 47 -3.066 1.941 -11.393 1.00 0.00 N ATOM 656 CD2 HIS A 47 -1.652 2.573 -12.886 1.00 0.00 C ATOM 657 CE1 HIS A 47 -2.858 0.932 -12.238 1.00 0.00 C ATOM 658 NE2 HIS A 47 -1.983 1.314 -13.156 1.00 0.00 N ATOM 0 H HIS A 47 -0.017 5.069 -9.651 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.832 4.178 -9.044 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.733 4.958 -11.203 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.026 4.604 -11.380 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.691 1.939 -10.587 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.968 3.187 -13.453 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.327 -0.039 -12.183 1.00 0.00 H new ATOM 666 N PHE A 48 -2.398 2.019 -8.290 1.00 0.00 N ATOM 667 CA PHE A 48 -2.271 0.655 -7.731 1.00 0.00 C ATOM 668 C PHE A 48 -2.886 -0.355 -8.714 1.00 0.00 C ATOM 669 O PHE A 48 -4.080 -0.285 -9.020 1.00 0.00 O ATOM 670 CB PHE A 48 -3.008 0.593 -6.389 1.00 0.00 C ATOM 671 CG PHE A 48 -2.418 -0.403 -5.386 1.00 0.00 C ATOM 672 CD1 PHE A 48 -2.815 -1.733 -5.343 1.00 0.00 C ATOM 673 CD2 PHE A 48 -1.511 0.071 -4.449 1.00 0.00 C ATOM 674 CE1 PHE A 48 -2.294 -2.579 -4.368 1.00 0.00 C ATOM 675 CE2 PHE A 48 -0.977 -0.772 -3.486 1.00 0.00 C ATOM 676 CZ PHE A 48 -1.370 -2.103 -3.443 1.00 0.00 C ATOM 0 H PHE A 48 -3.302 2.448 -8.094 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.220 0.411 -7.577 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.004 1.586 -5.940 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.050 0.330 -6.573 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.526 -2.110 -6.064 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.217 1.110 -4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.609 -3.611 -4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.259 -0.395 -2.773 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.960 -2.766 -2.695 1.00 0.00 H new ATOM 686 N LYS A 49 -1.988 -1.061 -9.392 1.00 0.00 N ATOM 687 CA LYS A 49 -2.333 -2.108 -10.380 1.00 0.00 C ATOM 688 C LYS A 49 -2.205 -3.491 -9.731 1.00 0.00 C ATOM 689 O LYS A 49 -1.301 -3.733 -8.934 1.00 0.00 O ATOM 690 CB LYS A 49 -1.385 -1.994 -11.578 1.00 0.00 C ATOM 691 CG LYS A 49 -1.915 -2.607 -12.882 1.00 0.00 C ATOM 692 CD LYS A 49 -1.233 -1.904 -14.063 1.00 0.00 C ATOM 693 CE LYS A 49 -1.321 -2.642 -15.405 1.00 0.00 C ATOM 694 NZ LYS A 49 -2.619 -2.565 -16.095 1.00 0.00 N ATOM 0 H LYS A 49 -0.983 -0.930 -9.278 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.360 -1.976 -10.719 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.167 -0.940 -11.751 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.442 -2.477 -11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.710 -3.677 -12.908 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.997 -2.488 -12.944 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.676 -0.915 -14.181 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.182 -1.755 -13.818 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.554 -2.243 -16.069 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.082 -3.692 -15.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.569 -3.096 -16.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.359 -2.975 -15.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.847 -1.570 -16.295 1.00 0.00 H new ATOM 708 N VAL A 50 -3.144 -4.357 -10.097 1.00 0.00 N ATOM 709 CA VAL A 50 -3.271 -5.711 -9.518 1.00 0.00 C ATOM 710 C VAL A 50 -3.434 -6.711 -10.673 1.00 0.00 C ATOM 711 O VAL A 50 -4.435 -6.715 -11.386 1.00 0.00 O ATOM 712 CB VAL A 50 -4.443 -5.821 -8.519 1.00 0.00 C ATOM 713 CG1 VAL A 50 -4.434 -7.170 -7.792 1.00 0.00 C ATOM 714 CG2 VAL A 50 -4.460 -4.692 -7.478 1.00 0.00 C ATOM 0 H VAL A 50 -3.847 -4.149 -10.806 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.371 -5.935 -8.945 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.346 -5.733 -9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.272 -7.214 -7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.524 -7.976 -8.520 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.500 -7.281 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.308 -4.829 -6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.535 -4.714 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.549 -3.731 -7.985 1.00 0.00 H new ATOM 724 N SER A 51 -2.331 -7.396 -10.937 1.00 0.00 N ATOM 725 CA SER A 51 -2.213 -8.393 -12.022 1.00 0.00 C ATOM 726 C SER A 51 -1.555 -9.670 -11.476 1.00 0.00 C ATOM 727 O SER A 51 -0.959 -9.634 -10.404 1.00 0.00 O ATOM 728 CB SER A 51 -1.373 -7.814 -13.168 1.00 0.00 C ATOM 729 OG SER A 51 -0.020 -7.611 -12.743 1.00 0.00 O ATOM 0 H SER A 51 -1.471 -7.282 -10.401 1.00 0.00 H new ATOM 0 HA SER A 51 -3.205 -8.638 -12.401 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.395 -8.492 -14.022 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.802 -6.869 -13.500 1.00 0.00 H new ATOM 0 HG SER A 51 0.504 -7.243 -13.485 1.00 0.00 H new ATOM 735 N ALA A 52 -1.566 -10.743 -12.268 1.00 0.00 N ATOM 736 CA ALA A 52 -0.907 -12.022 -11.917 1.00 0.00 C ATOM 737 C ALA A 52 0.566 -11.867 -11.482 1.00 0.00 C ATOM 738 O ALA A 52 0.987 -12.484 -10.509 1.00 0.00 O ATOM 739 CB ALA A 52 -0.996 -12.989 -13.100 1.00 0.00 C ATOM 0 H ALA A 52 -2.031 -10.759 -13.176 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.442 -12.416 -11.053 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.510 -13.929 -12.839 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.043 -13.176 -13.339 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.498 -12.552 -13.966 1.00 0.00 H new ATOM 745 N GLN A 53 1.270 -10.939 -12.137 1.00 0.00 N ATOM 746 CA GLN A 53 2.656 -10.554 -11.802 1.00 0.00 C ATOM 747 C GLN A 53 2.788 -10.052 -10.349 1.00 0.00 C ATOM 748 O GLN A 53 3.648 -10.523 -9.606 1.00 0.00 O ATOM 749 CB GLN A 53 3.086 -9.436 -12.755 1.00 0.00 C ATOM 750 CG GLN A 53 4.540 -9.615 -13.197 1.00 0.00 C ATOM 751 CD GLN A 53 4.615 -10.237 -14.590 1.00 0.00 C ATOM 752 OE1 GLN A 53 4.331 -11.407 -14.812 1.00 0.00 O ATOM 753 NE2 GLN A 53 4.893 -9.415 -15.577 1.00 0.00 N ATOM 0 H GLN A 53 0.891 -10.421 -12.930 1.00 0.00 H new ATOM 0 HA GLN A 53 3.290 -11.435 -11.904 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.435 -9.430 -13.630 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.969 -8.470 -12.263 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.045 -8.649 -13.198 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.066 -10.249 -12.483 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.128 -8.442 -15.380 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.874 -9.750 -16.540 1.00 0.00 H new ATOM 762 N GLY A 54 1.787 -9.267 -9.928 1.00 0.00 N ATOM 763 CA GLY A 54 1.719 -8.641 -8.595 1.00 0.00 C ATOM 764 C GLY A 54 1.004 -7.287 -8.638 1.00 0.00 C ATOM 765 O GLY A 54 0.104 -7.049 -9.449 1.00 0.00 O ATOM 0 H GLY A 54 0.984 -9.043 -10.515 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.197 -9.306 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.728 -8.507 -8.204 1.00 0.00 H new ATOM 769 N ILE A 55 1.591 -6.382 -7.866 1.00 0.00 N ATOM 770 CA ILE A 55 1.140 -4.995 -7.680 1.00 0.00 C ATOM 771 C ILE A 55 2.136 -4.065 -8.393 1.00 0.00 C ATOM 772 O ILE A 55 3.349 -4.261 -8.341 1.00 0.00 O ATOM 773 CB ILE A 55 1.049 -4.671 -6.170 1.00 0.00 C ATOM 774 CG1 ILE A 55 0.138 -5.640 -5.389 1.00 0.00 C ATOM 775 CG2 ILE A 55 0.686 -3.204 -5.893 1.00 0.00 C ATOM 776 CD1 ILE A 55 -1.274 -5.855 -5.950 1.00 0.00 C ATOM 0 H ILE A 55 2.430 -6.596 -7.327 1.00 0.00 H new ATOM 0 HA ILE A 55 0.148 -4.852 -8.108 1.00 0.00 H new ATOM 0 HB ILE A 55 2.059 -4.825 -5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.635 -6.608 -5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.047 -5.273 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.637 -3.038 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.445 -2.553 -6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.283 -2.978 -6.339 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.815 -6.556 -5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.804 -4.903 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.207 -6.259 -6.960 1.00 0.00 H new ATOM 788 N THR A 56 1.578 -3.031 -9.002 1.00 0.00 N ATOM 789 CA THR A 56 2.362 -2.023 -9.748 1.00 0.00 C ATOM 790 C THR A 56 1.895 -0.622 -9.333 1.00 0.00 C ATOM 791 O THR A 56 0.715 -0.407 -9.059 1.00 0.00 O ATOM 792 CB THR A 56 2.229 -2.246 -11.264 1.00 0.00 C ATOM 793 OG1 THR A 56 2.421 -3.634 -11.578 1.00 0.00 O ATOM 794 CG2 THR A 56 3.266 -1.434 -12.047 1.00 0.00 C ATOM 0 H THR A 56 0.573 -2.855 -9.001 1.00 0.00 H new ATOM 0 HA THR A 56 3.420 -2.123 -9.506 1.00 0.00 H new ATOM 0 HB THR A 56 1.229 -1.921 -11.549 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.312 -3.916 -11.282 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.141 -1.617 -13.114 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.127 -0.372 -11.842 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.269 -1.734 -11.742 1.00 0.00 H new ATOM 802 N LEU A 57 2.898 0.218 -9.105 1.00 0.00 N ATOM 803 CA LEU A 57 2.792 1.596 -8.599 1.00 0.00 C ATOM 804 C LEU A 57 3.601 2.567 -9.473 1.00 0.00 C ATOM 805 O LEU A 57 4.823 2.481 -9.575 1.00 0.00 O ATOM 806 CB LEU A 57 3.315 1.601 -7.158 1.00 0.00 C ATOM 807 CG LEU A 57 2.414 0.756 -6.251 1.00 0.00 C ATOM 808 CD1 LEU A 57 3.215 0.204 -5.073 1.00 0.00 C ATOM 809 CD2 LEU A 57 1.228 1.593 -5.772 1.00 0.00 C ATOM 0 H LEU A 57 3.866 -0.053 -9.276 1.00 0.00 H new ATOM 0 HA LEU A 57 1.754 1.928 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.332 1.210 -7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.358 2.624 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 57 2.028 -0.092 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.562 -0.394 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.028 -0.419 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.627 1.030 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.591 0.987 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.593 2.455 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.653 1.935 -6.632 1.00 0.00 H new ATOM 821 N THR A 58 2.868 3.450 -10.138 1.00 0.00 N ATOM 822 CA THR A 58 3.420 4.422 -11.108 1.00 0.00 C ATOM 823 C THR A 58 3.150 5.871 -10.658 1.00 0.00 C ATOM 824 O THR A 58 2.003 6.301 -10.532 1.00 0.00 O ATOM 825 CB THR A 58 2.846 4.162 -12.516 1.00 0.00 C ATOM 826 OG1 THR A 58 1.432 4.360 -12.525 1.00 0.00 O ATOM 827 CG2 THR A 58 3.125 2.739 -13.013 1.00 0.00 C ATOM 0 H THR A 58 1.857 3.523 -10.026 1.00 0.00 H new ATOM 0 HA THR A 58 4.501 4.287 -11.149 1.00 0.00 H new ATOM 0 HB THR A 58 3.343 4.870 -13.179 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.201 5.097 -11.922 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.699 2.611 -14.008 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.201 2.573 -13.055 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.673 2.020 -12.330 1.00 0.00 H new ATOM 835 N ASP A 59 4.197 6.500 -10.132 1.00 0.00 N ATOM 836 CA ASP A 59 4.131 7.892 -9.630 1.00 0.00 C ATOM 837 C ASP A 59 4.142 8.901 -10.790 1.00 0.00 C ATOM 838 O ASP A 59 5.168 9.088 -11.439 1.00 0.00 O ATOM 839 CB ASP A 59 5.284 8.193 -8.660 1.00 0.00 C ATOM 840 CG ASP A 59 5.248 7.440 -7.321 1.00 0.00 C ATOM 841 OD1 ASP A 59 5.048 6.205 -7.343 1.00 0.00 O ATOM 842 OD2 ASP A 59 5.479 8.122 -6.303 1.00 0.00 O ATOM 0 H ASP A 59 5.118 6.071 -10.037 1.00 0.00 H new ATOM 0 HA ASP A 59 3.191 7.995 -9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.224 7.961 -9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.289 9.263 -8.453 1.00 0.00 H new ATOM 847 N ASN A 60 2.978 9.488 -11.066 1.00 0.00 N ATOM 848 CA ASN A 60 2.851 10.492 -12.149 1.00 0.00 C ATOM 849 C ASN A 60 2.453 11.898 -11.656 1.00 0.00 C ATOM 850 O ASN A 60 2.225 12.814 -12.440 1.00 0.00 O ATOM 851 CB ASN A 60 1.857 9.967 -13.193 1.00 0.00 C ATOM 852 CG ASN A 60 2.026 10.661 -14.549 1.00 0.00 C ATOM 853 OD1 ASN A 60 1.312 11.581 -14.922 1.00 0.00 O ATOM 854 ND2 ASN A 60 2.936 10.161 -15.353 1.00 0.00 N ATOM 0 H ASN A 60 2.110 9.295 -10.566 1.00 0.00 H new ATOM 0 HA ASN A 60 3.838 10.622 -12.594 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.995 8.893 -13.316 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.839 10.119 -12.833 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.050 10.540 -16.293 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.529 9.394 -15.037 1.00 0.00 H new ATOM 861 N GLN A 61 2.528 12.081 -10.341 1.00 0.00 N ATOM 862 CA GLN A 61 2.207 13.371 -9.701 1.00 0.00 C ATOM 863 C GLN A 61 3.452 14.138 -9.238 1.00 0.00 C ATOM 864 O GLN A 61 3.427 15.355 -9.089 1.00 0.00 O ATOM 865 CB GLN A 61 1.273 13.128 -8.517 1.00 0.00 C ATOM 866 CG GLN A 61 0.322 14.319 -8.344 1.00 0.00 C ATOM 867 CD GLN A 61 -0.546 14.568 -9.588 1.00 0.00 C ATOM 868 OE1 GLN A 61 -0.714 15.689 -10.041 1.00 0.00 O ATOM 869 NE2 GLN A 61 -1.094 13.535 -10.196 1.00 0.00 N ATOM 0 H GLN A 61 2.810 11.352 -9.686 1.00 0.00 H new ATOM 0 HA GLN A 61 1.720 13.993 -10.451 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.700 12.215 -8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.856 12.983 -7.608 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.324 14.141 -7.484 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.903 15.215 -8.126 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.959 12.594 -9.825 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.653 13.676 -11.038 1.00 0.00 H new ATOM 983 N ARG A 67 9.041 3.966 -11.398 1.00 0.00 N ATOM 984 CA ARG A 67 7.910 3.035 -11.246 1.00 0.00 C ATOM 985 C ARG A 67 8.325 1.917 -10.288 1.00 0.00 C ATOM 986 O ARG A 67 9.498 1.546 -10.216 1.00 0.00 O ATOM 987 CB ARG A 67 7.571 2.361 -12.578 1.00 0.00 C ATOM 988 CG ARG A 67 6.567 3.096 -13.466 1.00 0.00 C ATOM 989 CD ARG A 67 7.114 4.275 -14.267 1.00 0.00 C ATOM 990 NE ARG A 67 6.138 4.561 -15.330 1.00 0.00 N ATOM 991 CZ ARG A 67 6.186 5.553 -16.223 1.00 0.00 C ATOM 992 NH1 ARG A 67 7.106 6.508 -16.164 1.00 0.00 N ATOM 993 NH2 ARG A 67 5.261 5.639 -17.163 1.00 0.00 N ATOM 0 HA ARG A 67 7.052 3.600 -10.882 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.495 2.229 -13.141 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.180 1.365 -12.369 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.136 2.378 -14.164 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.753 3.457 -12.837 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.253 5.146 -13.626 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.088 4.034 -14.692 1.00 0.00 H new ATOM 0 HE ARG A 67 5.337 3.933 -15.392 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.804 6.498 -15.421 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.115 7.252 -16.862 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.512 4.948 -17.206 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.296 6.396 -17.846 1.00 0.00 H new ATOM 1007 N ARG A 68 7.356 1.475 -9.498 1.00 0.00 N ATOM 1008 CA ARG A 68 7.552 0.375 -8.546 1.00 0.00 C ATOM 1009 C ARG A 68 6.607 -0.783 -8.874 1.00 0.00 C ATOM 1010 O ARG A 68 5.423 -0.589 -9.124 1.00 0.00 O ATOM 1011 CB ARG A 68 7.320 0.869 -7.114 1.00 0.00 C ATOM 1012 CG ARG A 68 8.266 0.140 -6.159 1.00 0.00 C ATOM 1013 CD ARG A 68 9.725 0.513 -6.445 1.00 0.00 C ATOM 1014 NE ARG A 68 10.626 -0.569 -6.026 1.00 0.00 N ATOM 1015 CZ ARG A 68 11.019 -0.864 -4.784 1.00 0.00 C ATOM 1016 NH1 ARG A 68 10.738 -0.081 -3.749 1.00 0.00 N ATOM 1017 NH2 ARG A 68 11.830 -1.888 -4.593 1.00 0.00 N ATOM 0 H ARG A 68 6.413 1.863 -9.494 1.00 0.00 H new ATOM 0 HA ARG A 68 8.578 0.017 -8.627 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.489 1.944 -7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.285 0.693 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.017 0.394 -5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.135 -0.937 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.854 0.710 -7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.981 1.432 -5.918 1.00 0.00 H new ATOM 0 HE ARG A 68 10.994 -1.163 -6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.206 0.778 -3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.055 -0.338 -2.814 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.148 -2.442 -5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.139 -2.125 -3.650 1.00 0.00 H new ATOM 1031 N HIS A 69 7.196 -1.963 -8.958 1.00 0.00 N ATOM 1032 CA HIS A 69 6.463 -3.208 -9.250 1.00 0.00 C ATOM 1033 C HIS A 69 6.892 -4.285 -8.249 1.00 0.00 C ATOM 1034 O HIS A 69 8.072 -4.605 -8.118 1.00 0.00 O ATOM 1035 CB HIS A 69 6.724 -3.581 -10.712 1.00 0.00 C ATOM 1036 CG HIS A 69 6.332 -5.038 -11.061 1.00 0.00 C ATOM 1037 ND1 HIS A 69 5.128 -5.554 -10.977 1.00 0.00 N ATOM 1038 CD2 HIS A 69 7.216 -6.001 -11.265 1.00 0.00 C ATOM 1039 CE1 HIS A 69 5.268 -6.889 -11.095 1.00 0.00 C ATOM 1040 NE2 HIS A 69 6.547 -7.158 -11.282 1.00 0.00 N ATOM 0 H HIS A 69 8.199 -2.098 -8.827 1.00 0.00 H new ATOM 0 HA HIS A 69 5.386 -3.092 -9.133 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.168 -2.900 -11.357 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.782 -3.436 -10.932 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.281 -5.875 -11.394 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.470 -7.615 -11.045 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.953 -8.084 -11.416 1.00 0.00 H new ATOM 1048 N TYR A 70 5.896 -4.765 -7.519 1.00 0.00 N ATOM 1049 CA TYR A 70 6.054 -5.834 -6.526 1.00 0.00 C ATOM 1050 C TYR A 70 5.332 -7.101 -7.009 1.00 0.00 C ATOM 1051 O TYR A 70 4.172 -7.008 -7.396 1.00 0.00 O ATOM 1052 CB TYR A 70 5.472 -5.411 -5.175 1.00 0.00 C ATOM 1053 CG TYR A 70 6.325 -4.319 -4.532 1.00 0.00 C ATOM 1054 CD1 TYR A 70 7.438 -4.675 -3.779 1.00 0.00 C ATOM 1055 CD2 TYR A 70 5.952 -2.987 -4.646 1.00 0.00 C ATOM 1056 CE1 TYR A 70 8.171 -3.697 -3.121 1.00 0.00 C ATOM 1057 CE2 TYR A 70 6.683 -2.009 -3.987 1.00 0.00 C ATOM 1058 CZ TYR A 70 7.785 -2.365 -3.220 1.00 0.00 C ATOM 1059 OH TYR A 70 8.364 -1.424 -2.435 1.00 0.00 O ATOM 0 H TYR A 70 4.938 -4.422 -7.596 1.00 0.00 H new ATOM 0 HA TYR A 70 7.119 -6.034 -6.406 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.453 -5.049 -5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.418 -6.274 -4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.732 -5.712 -3.706 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.096 -2.713 -5.245 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.037 -3.969 -2.535 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.395 -0.971 -4.070 1.00 0.00 H new ATOM 0 HH TYR A 70 7.677 -0.979 -1.897 1.00 0.00 H new ATOM 1069 N PRO A 71 6.024 -8.240 -7.047 1.00 0.00 N ATOM 1070 CA PRO A 71 5.394 -9.527 -7.406 1.00 0.00 C ATOM 1071 C PRO A 71 4.413 -10.014 -6.330 1.00 0.00 C ATOM 1072 O PRO A 71 4.464 -9.565 -5.186 1.00 0.00 O ATOM 1073 CB PRO A 71 6.565 -10.474 -7.658 1.00 0.00 C ATOM 1074 CG PRO A 71 7.700 -9.906 -6.807 1.00 0.00 C ATOM 1075 CD PRO A 71 7.475 -8.395 -6.839 1.00 0.00 C ATOM 0 HA PRO A 71 4.763 -9.452 -8.292 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.321 -11.495 -7.365 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.835 -10.501 -8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.665 -10.292 -5.788 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.675 -10.172 -7.215 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.794 -7.927 -5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.043 -7.926 -7.643 1.00 0.00 H new ATOM 1083 N LEU A 72 3.468 -10.857 -6.739 1.00 0.00 N ATOM 1084 CA LEU A 72 2.457 -11.436 -5.821 1.00 0.00 C ATOM 1085 C LEU A 72 3.069 -12.355 -4.742 1.00 0.00 C ATOM 1086 O LEU A 72 2.521 -12.507 -3.654 1.00 0.00 O ATOM 1087 CB LEU A 72 1.367 -12.174 -6.609 1.00 0.00 C ATOM 1088 CG LEU A 72 0.016 -12.131 -5.882 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -0.736 -10.829 -6.179 1.00 0.00 C ATOM 1090 CD2 LEU A 72 -0.830 -13.357 -6.231 1.00 0.00 C ATOM 0 H LEU A 72 3.371 -11.164 -7.707 1.00 0.00 H new ATOM 0 HA LEU A 72 2.007 -10.597 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.264 -11.724 -7.597 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.666 -13.211 -6.761 1.00 0.00 H new ATOM 0 HG LEU A 72 0.212 -12.155 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.689 -10.830 -5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.138 -9.980 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.917 -10.750 -7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.783 -13.304 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.011 -13.380 -7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.300 -14.262 -5.933 1.00 0.00 H new ATOM 1102 N ASN A 73 4.298 -12.809 -5.003 1.00 0.00 N ATOM 1103 CA ASN A 73 5.117 -13.638 -4.091 1.00 0.00 C ATOM 1104 C ASN A 73 5.871 -12.813 -3.023 1.00 0.00 C ATOM 1105 O ASN A 73 6.978 -13.154 -2.605 1.00 0.00 O ATOM 1106 CB ASN A 73 6.087 -14.487 -4.933 1.00 0.00 C ATOM 1107 CG ASN A 73 6.958 -13.649 -5.875 1.00 0.00 C ATOM 1108 OD1 ASN A 73 7.744 -12.798 -5.484 1.00 0.00 O ATOM 1109 ND2 ASN A 73 6.723 -13.781 -7.161 1.00 0.00 N ATOM 0 H ASN A 73 4.773 -12.607 -5.883 1.00 0.00 H new ATOM 0 HA ASN A 73 4.444 -14.285 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.731 -15.060 -4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.515 -15.206 -5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 73 7.196 -13.174 -7.831 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.068 -14.490 -7.490 1.00 0.00 H new ATOM 1116 N THR A 74 5.241 -11.714 -2.606 1.00 0.00 N ATOM 1117 CA THR A 74 5.817 -10.760 -1.632 1.00 0.00 C ATOM 1118 C THR A 74 4.753 -10.239 -0.664 1.00 0.00 C ATOM 1119 O THR A 74 4.898 -10.379 0.546 1.00 0.00 O ATOM 1120 CB THR A 74 6.585 -9.557 -2.227 1.00 0.00 C ATOM 1121 OG1 THR A 74 5.725 -8.614 -2.874 1.00 0.00 O ATOM 1122 CG2 THR A 74 7.696 -9.979 -3.181 1.00 0.00 C ATOM 0 H THR A 74 4.311 -11.451 -2.931 1.00 0.00 H new ATOM 0 HA THR A 74 6.563 -11.361 -1.112 1.00 0.00 H new ATOM 0 HB THR A 74 7.042 -9.066 -1.368 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.316 -9.031 -3.661 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.200 -9.093 -3.567 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.415 -10.602 -2.649 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.269 -10.544 -4.010 1.00 0.00 H new ATOM 1130 N VAL A 75 3.716 -9.621 -1.225 1.00 0.00 N ATOM 1131 CA VAL A 75 2.612 -8.974 -0.487 1.00 0.00 C ATOM 1132 C VAL A 75 1.751 -10.059 0.196 1.00 0.00 C ATOM 1133 O VAL A 75 0.737 -10.510 -0.330 1.00 0.00 O ATOM 1134 CB VAL A 75 1.794 -8.074 -1.444 1.00 0.00 C ATOM 1135 CG1 VAL A 75 0.771 -7.238 -0.676 1.00 0.00 C ATOM 1136 CG2 VAL A 75 2.661 -7.119 -2.277 1.00 0.00 C ATOM 0 H VAL A 75 3.609 -9.550 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 75 3.005 -8.326 0.296 1.00 0.00 H new ATOM 0 HB VAL A 75 1.296 -8.765 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.211 -6.616 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.084 -7.899 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.287 -6.602 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.022 -6.519 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.222 -6.463 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.356 -7.697 -2.887 1.00 0.00 H new ATOM 1146 N THR A 76 2.270 -10.517 1.330 1.00 0.00 N ATOM 1147 CA THR A 76 1.679 -11.593 2.160 1.00 0.00 C ATOM 1148 C THR A 76 0.457 -11.094 2.937 1.00 0.00 C ATOM 1149 O THR A 76 -0.552 -11.781 3.073 1.00 0.00 O ATOM 1150 CB THR A 76 2.700 -12.173 3.159 1.00 0.00 C ATOM 1151 OG1 THR A 76 3.193 -11.159 4.048 1.00 0.00 O ATOM 1152 CG2 THR A 76 3.858 -12.879 2.449 1.00 0.00 C ATOM 0 H THR A 76 3.138 -10.148 1.719 1.00 0.00 H new ATOM 0 HA THR A 76 1.373 -12.378 1.468 1.00 0.00 H new ATOM 0 HB THR A 76 2.173 -12.921 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.837 -11.555 4.671 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.554 -13.273 3.190 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.469 -13.699 1.845 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.377 -12.169 1.805 1.00 0.00 H new ATOM 1160 N PHE A 77 0.634 -9.909 3.506 1.00 0.00 N ATOM 1161 CA PHE A 77 -0.380 -9.216 4.308 1.00 0.00 C ATOM 1162 C PHE A 77 -0.627 -7.830 3.717 1.00 0.00 C ATOM 1163 O PHE A 77 0.302 -7.034 3.626 1.00 0.00 O ATOM 1164 CB PHE A 77 0.164 -9.035 5.722 1.00 0.00 C ATOM 1165 CG PHE A 77 -0.838 -9.527 6.756 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -2.004 -8.817 7.015 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -0.577 -10.724 7.404 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -2.911 -9.311 7.943 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -1.480 -11.213 8.335 1.00 0.00 C ATOM 1170 CZ PHE A 77 -2.646 -10.506 8.604 1.00 0.00 C ATOM 0 H PHE A 77 1.506 -9.386 3.424 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.304 -9.794 4.315 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.101 -9.582 5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.388 -7.983 5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.203 -7.889 6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.326 -11.274 7.184 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.821 -8.768 8.151 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.278 -12.141 8.850 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.350 -10.886 9.330 1.00 0.00 H new ATOM 1180 N CYS A 78 -1.880 -7.572 3.376 1.00 0.00 N ATOM 1181 CA CYS A 78 -2.298 -6.282 2.797 1.00 0.00 C ATOM 1182 C CYS A 78 -3.646 -5.813 3.354 1.00 0.00 C ATOM 1183 O CYS A 78 -4.721 -6.164 2.874 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.260 -6.361 1.266 1.00 0.00 C ATOM 1185 SG CYS A 78 -2.877 -7.932 0.551 1.00 0.00 S ATOM 0 H CYS A 78 -2.642 -8.241 3.488 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.588 -5.512 3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.850 -5.539 0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.233 -6.209 0.936 1.00 0.00 H new ATOM 0 HG CYS A 78 -2.667 -8.903 1.390 1.00 0.00 H new ATOM 1191 N ASP A 79 -3.527 -5.123 4.485 1.00 0.00 N ATOM 1192 CA ASP A 79 -4.691 -4.645 5.249 1.00 0.00 C ATOM 1193 C ASP A 79 -4.527 -3.182 5.695 1.00 0.00 C ATOM 1194 O ASP A 79 -3.445 -2.601 5.604 1.00 0.00 O ATOM 1195 CB ASP A 79 -4.953 -5.583 6.437 1.00 0.00 C ATOM 1196 CG ASP A 79 -6.457 -5.824 6.608 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -7.124 -4.888 7.104 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -6.928 -6.878 6.132 1.00 0.00 O ATOM 0 H ASP A 79 -2.629 -4.877 4.902 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.563 -4.664 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.442 -6.533 6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.542 -5.149 7.348 1.00 0.00 H new ATOM 1203 N LEU A 80 -5.645 -2.580 6.101 1.00 0.00 N ATOM 1204 CA LEU A 80 -5.637 -1.238 6.713 1.00 0.00 C ATOM 1205 C LEU A 80 -4.770 -1.224 7.976 1.00 0.00 C ATOM 1206 O LEU A 80 -4.451 -2.254 8.570 1.00 0.00 O ATOM 1207 CB LEU A 80 -7.044 -0.764 7.112 1.00 0.00 C ATOM 1208 CG LEU A 80 -7.853 -0.006 6.049 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -7.140 1.248 5.543 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -8.249 -0.927 4.903 1.00 0.00 C ATOM 0 H LEU A 80 -6.573 -2.996 6.020 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.235 -0.566 5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.621 -1.637 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.949 -0.121 7.987 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.765 0.340 6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.759 1.742 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.966 1.929 6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.185 0.969 5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.821 -0.364 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.352 -1.332 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.858 -1.745 5.287 1.00 0.00 H new ATOM 1222 N ASP A 81 -4.385 -0.015 8.349 1.00 0.00 N ATOM 1223 CA ASP A 81 -3.627 0.222 9.585 1.00 0.00 C ATOM 1224 C ASP A 81 -4.400 -0.224 10.850 1.00 0.00 C ATOM 1225 O ASP A 81 -5.440 0.363 11.147 1.00 0.00 O ATOM 1226 CB ASP A 81 -3.246 1.702 9.650 1.00 0.00 C ATOM 1227 CG ASP A 81 -4.380 2.714 9.838 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -5.431 2.567 9.179 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -4.170 3.539 10.750 1.00 0.00 O ATOM 0 H ASP A 81 -4.583 0.830 7.814 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.724 -0.388 9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.539 1.832 10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.718 1.955 8.730 1.00 0.00 H new ATOM 1234 N PRO A 82 -3.825 -1.123 11.662 1.00 0.00 N ATOM 1235 CA PRO A 82 -4.434 -1.557 12.939 1.00 0.00 C ATOM 1236 C PRO A 82 -4.524 -0.440 13.995 1.00 0.00 C ATOM 1237 O PRO A 82 -5.212 -0.588 14.998 1.00 0.00 O ATOM 1238 CB PRO A 82 -3.581 -2.742 13.397 1.00 0.00 C ATOM 1239 CG PRO A 82 -2.200 -2.430 12.825 1.00 0.00 C ATOM 1240 CD PRO A 82 -2.508 -1.764 11.484 1.00 0.00 C ATOM 0 HA PRO A 82 -5.478 -1.837 12.799 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -3.556 -2.822 14.484 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.969 -3.687 13.016 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.635 -1.768 13.481 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.606 -3.335 12.696 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.745 -1.030 11.225 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.533 -2.497 10.677 1.00 0.00 H new ATOM 1248 N GLN A 83 -3.840 0.677 13.741 1.00 0.00 N ATOM 1249 CA GLN A 83 -3.901 1.896 14.572 1.00 0.00 C ATOM 1250 C GLN A 83 -5.207 2.702 14.476 1.00 0.00 C ATOM 1251 O GLN A 83 -5.355 3.705 15.171 1.00 0.00 O ATOM 1252 CB GLN A 83 -2.705 2.790 14.234 1.00 0.00 C ATOM 1253 CG GLN A 83 -1.427 2.218 14.850 1.00 0.00 C ATOM 1254 CD GLN A 83 -0.201 2.973 14.353 1.00 0.00 C ATOM 1255 OE1 GLN A 83 0.260 3.960 14.904 1.00 0.00 O ATOM 1256 NE2 GLN A 83 0.344 2.522 13.251 1.00 0.00 N ATOM 0 H GLN A 83 -3.215 0.769 12.940 1.00 0.00 H new ATOM 0 HA GLN A 83 -3.868 1.551 15.605 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.593 2.867 13.152 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.878 3.799 14.609 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.482 2.281 15.937 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.337 1.162 14.596 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.042 1.697 12.792 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.155 2.995 12.852 1.00 0.00 H new ATOM 1265 N GLU A 84 -6.102 2.309 13.561 1.00 0.00 N ATOM 1266 CA GLU A 84 -7.363 3.029 13.267 1.00 0.00 C ATOM 1267 C GLU A 84 -7.197 4.536 12.977 1.00 0.00 C ATOM 1268 O GLU A 84 -8.102 5.347 13.167 1.00 0.00 O ATOM 1269 CB GLU A 84 -8.408 2.809 14.369 1.00 0.00 C ATOM 1270 CG GLU A 84 -9.214 1.525 14.163 1.00 0.00 C ATOM 1271 CD GLU A 84 -10.463 1.495 15.054 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -11.146 2.540 15.145 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -10.765 0.389 15.549 1.00 0.00 O ATOM 0 H GLU A 84 -5.976 1.472 12.992 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.718 2.586 12.336 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.908 2.769 15.337 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.088 3.661 14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.510 1.444 13.117 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.587 0.661 14.385 1.00 0.00 H new ATOM 1280 N ARG A 85 -6.061 4.843 12.368 1.00 0.00 N ATOM 1281 CA ARG A 85 -5.677 6.202 11.960 1.00 0.00 C ATOM 1282 C ARG A 85 -5.712 6.339 10.434 1.00 0.00 C ATOM 1283 O ARG A 85 -5.936 5.389 9.680 1.00 0.00 O ATOM 1284 CB ARG A 85 -4.277 6.558 12.473 1.00 0.00 C ATOM 1285 CG ARG A 85 -4.228 6.848 13.972 1.00 0.00 C ATOM 1286 CD ARG A 85 -2.953 7.630 14.310 1.00 0.00 C ATOM 1287 NE ARG A 85 -3.245 9.063 14.514 1.00 0.00 N ATOM 1288 CZ ARG A 85 -3.758 9.614 15.624 1.00 0.00 C ATOM 1289 NH1 ARG A 85 -4.070 8.881 16.684 1.00 0.00 N ATOM 1290 NH2 ARG A 85 -3.964 10.918 15.697 1.00 0.00 N ATOM 0 H ARG A 85 -5.358 4.142 12.134 1.00 0.00 H new ATOM 0 HA ARG A 85 -6.397 6.892 12.399 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.597 5.736 12.249 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.912 7.430 11.931 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.106 7.421 14.269 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -4.252 5.914 14.533 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.498 7.217 15.210 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.228 7.515 13.504 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.037 9.692 13.739 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.921 7.872 16.668 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.459 9.326 17.515 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.732 11.516 14.904 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.355 11.326 16.546 1.00 0.00 H new ATOM 1304 N LYS A 86 -5.535 7.582 10.009 1.00 0.00 N ATOM 1305 CA LYS A 86 -5.592 7.980 8.593 1.00 0.00 C ATOM 1306 C LYS A 86 -4.426 8.943 8.335 1.00 0.00 C ATOM 1307 O LYS A 86 -4.028 9.693 9.228 1.00 0.00 O ATOM 1308 CB LYS A 86 -6.935 8.669 8.310 1.00 0.00 C ATOM 1309 CG LYS A 86 -8.153 7.799 8.659 1.00 0.00 C ATOM 1310 CD LYS A 86 -9.459 8.571 8.465 1.00 0.00 C ATOM 1311 CE LYS A 86 -10.393 8.469 9.677 1.00 0.00 C ATOM 1312 NZ LYS A 86 -11.218 7.250 9.714 1.00 0.00 N ATOM 0 H LYS A 86 -5.344 8.360 10.640 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.511 7.113 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.986 9.597 8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.981 8.939 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.158 6.908 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.077 7.461 9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.231 9.620 8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.973 8.191 7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.793 8.514 10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.051 9.338 9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.818 7.262 10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.819 7.212 8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.601 6.414 9.738 1.00 0.00 H new ATOM 1326 N TRP A 87 -3.838 8.843 7.147 1.00 0.00 N ATOM 1327 CA TRP A 87 -2.755 9.754 6.725 1.00 0.00 C ATOM 1328 C TRP A 87 -3.239 11.216 6.706 1.00 0.00 C ATOM 1329 O TRP A 87 -4.434 11.508 6.607 1.00 0.00 O ATOM 1330 CB TRP A 87 -2.238 9.328 5.348 1.00 0.00 C ATOM 1331 CG TRP A 87 -1.062 10.192 4.861 1.00 0.00 C ATOM 1332 CD1 TRP A 87 -1.153 11.250 4.063 1.00 0.00 C ATOM 1333 CD2 TRP A 87 0.268 10.029 5.167 1.00 0.00 C ATOM 1334 NE1 TRP A 87 0.061 11.759 3.843 1.00 0.00 N ATOM 1335 CE2 TRP A 87 0.959 11.032 4.484 1.00 0.00 C ATOM 1336 CE3 TRP A 87 0.951 9.080 5.904 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 2.345 11.063 4.515 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 2.339 9.131 5.949 1.00 0.00 C ATOM 1339 CH2 TRP A 87 3.031 10.110 5.266 1.00 0.00 C ATOM 0 H TRP A 87 -4.087 8.141 6.450 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.939 9.692 7.445 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.924 8.285 5.389 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.051 9.388 4.625 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.073 11.640 3.653 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.263 12.579 3.271 1.00 0.00 H new ATOM 0 HE3 TRP A 87 0.414 8.310 6.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 2.887 11.817 3.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 2.882 8.396 6.525 1.00 0.00 H new ATOM 0 HH2 TRP A 87 4.110 10.138 5.314 1.00 0.00 H new ATOM 1437 N PRO A 95 -8.852 13.835 6.081 1.00 0.00 N ATOM 1438 CA PRO A 95 -8.030 12.623 6.269 1.00 0.00 C ATOM 1439 C PRO A 95 -8.468 11.509 5.313 1.00 0.00 C ATOM 1440 O PRO A 95 -9.654 11.333 5.031 1.00 0.00 O ATOM 1441 CB PRO A 95 -8.245 12.246 7.737 1.00 0.00 C ATOM 1442 CG PRO A 95 -9.669 12.719 8.024 1.00 0.00 C ATOM 1443 CD PRO A 95 -9.782 14.014 7.217 1.00 0.00 C ATOM 0 HA PRO A 95 -6.976 12.787 6.046 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.139 11.173 7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.521 12.737 8.387 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.408 11.983 7.708 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.828 12.894 9.088 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.803 14.176 6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.508 14.880 7.819 1.00 0.00 H new ATOM 1451 N ALA A 96 -7.486 10.750 4.844 1.00 0.00 N ATOM 1452 CA ALA A 96 -7.765 9.571 4.008 1.00 0.00 C ATOM 1453 C ALA A 96 -7.128 8.332 4.618 1.00 0.00 C ATOM 1454 O ALA A 96 -5.941 8.312 4.957 1.00 0.00 O ATOM 1455 CB ALA A 96 -7.276 9.737 2.573 1.00 0.00 C ATOM 0 H ALA A 96 -6.496 10.920 5.021 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.849 9.460 3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.508 8.837 2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.771 10.594 2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.198 9.898 2.572 1.00 0.00 H new ATOM 1461 N LYS A 97 -8.003 7.361 4.859 1.00 0.00 N ATOM 1462 CA LYS A 97 -7.601 6.036 5.363 1.00 0.00 C ATOM 1463 C LYS A 97 -6.374 5.496 4.628 1.00 0.00 C ATOM 1464 O LYS A 97 -6.310 5.481 3.395 1.00 0.00 O ATOM 1465 CB LYS A 97 -8.718 4.999 5.262 1.00 0.00 C ATOM 1466 CG LYS A 97 -9.576 4.991 6.523 1.00 0.00 C ATOM 1467 CD LYS A 97 -10.492 3.771 6.535 1.00 0.00 C ATOM 1468 CE LYS A 97 -11.772 4.084 7.309 1.00 0.00 C ATOM 1469 NZ LYS A 97 -12.828 4.548 6.395 1.00 0.00 N ATOM 0 H LYS A 97 -9.008 7.461 4.714 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.363 6.193 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.342 5.216 4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.287 4.010 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.936 4.982 7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.172 5.902 6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.737 3.480 5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.979 2.925 6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.109 3.194 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.572 4.848 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.690 4.756 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.510 5.409 5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.031 3.807 5.694 1.00 0.00 H new ATOM 1483 N LEU A 98 -5.392 5.178 5.456 1.00 0.00 N ATOM 1484 CA LEU A 98 -4.113 4.657 4.963 1.00 0.00 C ATOM 1485 C LEU A 98 -3.971 3.173 5.319 1.00 0.00 C ATOM 1486 O LEU A 98 -4.367 2.698 6.387 1.00 0.00 O ATOM 1487 CB LEU A 98 -2.913 5.491 5.447 1.00 0.00 C ATOM 1488 CG LEU A 98 -2.267 5.078 6.777 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -0.935 5.805 6.945 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -3.181 5.370 7.963 1.00 0.00 C ATOM 0 H LEU A 98 -5.449 5.269 6.470 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.113 4.745 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.145 5.460 4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.235 6.529 5.535 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.097 4.002 6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.477 5.511 7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.271 5.542 6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.105 6.882 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.689 5.064 8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.395 6.438 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.113 4.817 7.849 1.00 0.00 H new ATOM 1502 N PHE A 99 -3.366 2.488 4.372 1.00 0.00 N ATOM 1503 CA PHE A 99 -3.134 1.042 4.441 1.00 0.00 C ATOM 1504 C PHE A 99 -1.665 0.722 4.145 1.00 0.00 C ATOM 1505 O PHE A 99 -0.971 1.465 3.446 1.00 0.00 O ATOM 1506 CB PHE A 99 -4.098 0.329 3.484 1.00 0.00 C ATOM 1507 CG PHE A 99 -3.781 0.544 2.002 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -4.223 1.672 1.320 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -3.030 -0.424 1.350 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -3.910 1.823 -0.026 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -2.716 -0.271 0.008 1.00 0.00 C ATOM 1512 CZ PHE A 99 -3.155 0.855 -0.679 1.00 0.00 C ATOM 0 H PHE A 99 -3.013 2.916 3.516 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.335 0.677 5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.080 -0.740 3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.112 0.676 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.805 2.425 1.832 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.690 -1.297 1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.254 2.693 -0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.133 -1.024 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.909 0.978 -1.723 1.00 0.00 H new ATOM 1522 N GLY A 100 -1.243 -0.368 4.786 1.00 0.00 N ATOM 1523 CA GLY A 100 0.129 -0.883 4.678 1.00 0.00 C ATOM 1524 C GLY A 100 0.114 -2.388 4.413 1.00 0.00 C ATOM 1525 O GLY A 100 -0.755 -3.118 4.896 1.00 0.00 O ATOM 0 H GLY A 100 -1.842 -0.923 5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.654 -0.371 3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.676 -0.675 5.598 1.00 0.00 H new ATOM 1529 N PHE A 101 1.091 -2.810 3.625 1.00 0.00 N ATOM 1530 CA PHE A 101 1.306 -4.237 3.343 1.00 0.00 C ATOM 1531 C PHE A 101 2.738 -4.689 3.657 1.00 0.00 C ATOM 1532 O PHE A 101 3.686 -3.915 3.536 1.00 0.00 O ATOM 1533 CB PHE A 101 0.909 -4.597 1.906 1.00 0.00 C ATOM 1534 CG PHE A 101 1.681 -3.855 0.820 1.00 0.00 C ATOM 1535 CD1 PHE A 101 3.009 -4.169 0.563 1.00 0.00 C ATOM 1536 CD2 PHE A 101 1.024 -2.888 0.072 1.00 0.00 C ATOM 1537 CE1 PHE A 101 3.701 -3.484 -0.424 1.00 0.00 C ATOM 1538 CE2 PHE A 101 1.712 -2.219 -0.928 1.00 0.00 C ATOM 1539 CZ PHE A 101 3.049 -2.512 -1.173 1.00 0.00 C ATOM 0 H PHE A 101 1.755 -2.188 3.164 1.00 0.00 H new ATOM 0 HA PHE A 101 0.648 -4.786 4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.050 -5.668 1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.154 -4.395 1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.502 -4.945 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.013 -2.659 0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.742 -3.705 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.208 -1.468 -1.519 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.583 -1.982 -1.948 1.00 0.00 H new ATOM 1549 N VAL A 102 2.857 -5.983 3.919 1.00 0.00 N ATOM 1550 CA VAL A 102 4.127 -6.634 4.303 1.00 0.00 C ATOM 1551 C VAL A 102 4.608 -7.477 3.109 1.00 0.00 C ATOM 1552 O VAL A 102 3.942 -8.428 2.701 1.00 0.00 O ATOM 1553 CB VAL A 102 3.963 -7.510 5.564 1.00 0.00 C ATOM 1554 CG1 VAL A 102 5.325 -7.775 6.209 1.00 0.00 C ATOM 1555 CG2 VAL A 102 3.039 -6.913 6.633 1.00 0.00 C ATOM 0 H VAL A 102 2.070 -6.630 3.873 1.00 0.00 H new ATOM 0 HA VAL A 102 4.865 -5.871 4.551 1.00 0.00 H new ATOM 0 HB VAL A 102 3.500 -8.431 5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.193 -8.394 7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.970 -8.293 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.784 -6.828 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.980 -7.592 7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.436 -5.953 6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.043 -6.769 6.214 1.00 0.00 H new ATOM 1565 N ALA A 103 5.610 -6.924 2.428 1.00 0.00 N ATOM 1566 CA ALA A 103 6.222 -7.544 1.235 1.00 0.00 C ATOM 1567 C ALA A 103 7.478 -8.366 1.573 1.00 0.00 C ATOM 1568 O ALA A 103 8.538 -7.827 1.900 1.00 0.00 O ATOM 1569 CB ALA A 103 6.517 -6.466 0.185 1.00 0.00 C ATOM 0 H ALA A 103 6.028 -6.029 2.683 1.00 0.00 H new ATOM 0 HA ALA A 103 5.505 -8.254 0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.968 -6.927 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.588 -5.973 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.205 -5.730 0.602 1.00 0.00 H new ATOM 1575 N ARG A 104 7.280 -9.679 1.513 1.00 0.00 N ATOM 1576 CA ARG A 104 8.262 -10.737 1.812 1.00 0.00 C ATOM 1577 C ARG A 104 8.754 -11.364 0.500 1.00 0.00 C ATOM 1578 O ARG A 104 8.147 -12.272 -0.064 1.00 0.00 O ATOM 1579 CB ARG A 104 7.561 -11.768 2.710 1.00 0.00 C ATOM 1580 CG ARG A 104 8.455 -12.835 3.357 1.00 0.00 C ATOM 1581 CD ARG A 104 8.510 -14.130 2.547 1.00 0.00 C ATOM 1582 NE ARG A 104 8.702 -15.253 3.480 1.00 0.00 N ATOM 1583 CZ ARG A 104 8.811 -16.548 3.168 1.00 0.00 C ATOM 1584 NH1 ARG A 104 8.793 -16.981 1.914 1.00 0.00 N ATOM 1585 NH2 ARG A 104 8.935 -17.443 4.133 1.00 0.00 N ATOM 0 H ARG A 104 6.377 -10.065 1.238 1.00 0.00 H new ATOM 0 HA ARG A 104 9.137 -10.342 2.328 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.042 -11.231 3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.800 -12.275 2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 104 9.464 -12.438 3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 104 8.086 -13.054 4.359 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.589 -14.262 1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 104 9.326 -14.092 1.826 1.00 0.00 H new ATOM 0 HE ARG A 104 8.758 -15.017 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 104 8.693 -16.317 1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 104 8.879 -17.978 1.718 1.00 0.00 H new ATOM 0 HH21 ARG A 104 8.947 -17.143 5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.019 -18.433 3.903 1.00 0.00 H new ATOM 1684 N ASP A 111 13.723 -10.241 5.287 1.00 0.00 N ATOM 1685 CA ASP A 111 13.665 -8.774 5.136 1.00 0.00 C ATOM 1686 C ASP A 111 12.438 -8.314 4.331 1.00 0.00 C ATOM 1687 O ASP A 111 12.295 -8.559 3.139 1.00 0.00 O ATOM 1688 CB ASP A 111 14.996 -8.299 4.533 1.00 0.00 C ATOM 1689 CG ASP A 111 15.373 -6.902 5.019 1.00 0.00 C ATOM 1690 OD1 ASP A 111 14.509 -6.011 4.851 1.00 0.00 O ATOM 1691 OD2 ASP A 111 16.456 -6.777 5.626 1.00 0.00 O ATOM 0 HA ASP A 111 13.536 -8.310 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.786 -9.001 4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.922 -8.298 3.445 1.00 0.00 H new ATOM 1696 N ASN A 112 11.492 -7.754 5.068 1.00 0.00 N ATOM 1697 CA ASN A 112 10.229 -7.240 4.504 1.00 0.00 C ATOM 1698 C ASN A 112 10.202 -5.715 4.414 1.00 0.00 C ATOM 1699 O ASN A 112 10.908 -5.044 5.166 1.00 0.00 O ATOM 1700 CB ASN A 112 9.063 -7.714 5.370 1.00 0.00 C ATOM 1701 CG ASN A 112 8.558 -9.080 4.911 1.00 0.00 C ATOM 1702 OD1 ASN A 112 7.413 -9.227 4.519 1.00 0.00 O ATOM 1703 ND2 ASN A 112 9.364 -10.111 5.028 1.00 0.00 N ATOM 0 H ASN A 112 11.567 -7.637 6.078 1.00 0.00 H new ATOM 0 HA ASN A 112 10.143 -7.627 3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 112 9.379 -7.771 6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 112 8.252 -6.988 5.322 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.034 -11.046 4.790 1.00 0.00 H new ATOM 0 HD22 ASN A 112 10.320 -9.976 5.357 1.00 0.00 H new ATOM 1710 N VAL A 113 9.415 -5.207 3.472 1.00 0.00 N ATOM 1711 CA VAL A 113 9.181 -3.758 3.352 1.00 0.00 C ATOM 1712 C VAL A 113 7.672 -3.470 3.465 1.00 0.00 C ATOM 1713 O VAL A 113 6.863 -4.090 2.771 1.00 0.00 O ATOM 1714 CB VAL A 113 9.900 -3.229 2.092 1.00 0.00 C ATOM 1715 CG1 VAL A 113 9.066 -3.101 0.810 1.00 0.00 C ATOM 1716 CG2 VAL A 113 10.649 -1.941 2.430 1.00 0.00 C ATOM 0 H VAL A 113 8.925 -5.770 2.777 1.00 0.00 H new ATOM 0 HA VAL A 113 9.622 -3.193 4.173 1.00 0.00 H new ATOM 0 HB VAL A 113 10.601 -4.018 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.693 -2.719 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.674 -4.079 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.238 -2.414 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.155 -1.570 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.942 -1.191 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.385 -2.142 3.209 1.00 0.00 H new ATOM 1726 N CYS A 114 7.324 -2.739 4.516 1.00 0.00 N ATOM 1727 CA CYS A 114 5.921 -2.352 4.735 1.00 0.00 C ATOM 1728 C CYS A 114 5.693 -0.968 4.125 1.00 0.00 C ATOM 1729 O CYS A 114 6.334 0.015 4.491 1.00 0.00 O ATOM 1730 CB CYS A 114 5.553 -2.387 6.216 1.00 0.00 C ATOM 1731 SG CYS A 114 3.750 -2.495 6.508 1.00 0.00 S ATOM 0 H CYS A 114 7.976 -2.403 5.225 1.00 0.00 H new ATOM 0 HA CYS A 114 5.266 -3.072 4.244 1.00 0.00 H new ATOM 0 HB2 CYS A 114 6.042 -3.240 6.685 1.00 0.00 H new ATOM 0 HB3 CYS A 114 5.940 -1.491 6.701 1.00 0.00 H new ATOM 0 HG CYS A 114 3.482 -3.581 7.171 1.00 0.00 H new ATOM 1737 N HIS A 115 5.057 -1.039 2.965 1.00 0.00 N ATOM 1738 CA HIS A 115 4.759 0.160 2.166 1.00 0.00 C ATOM 1739 C HIS A 115 3.474 0.822 2.661 1.00 0.00 C ATOM 1740 O HIS A 115 2.514 0.143 3.030 1.00 0.00 O ATOM 1741 CB HIS A 115 4.589 -0.230 0.708 1.00 0.00 C ATOM 1742 CG HIS A 115 5.352 0.727 -0.232 1.00 0.00 C ATOM 1743 ND1 HIS A 115 6.329 0.349 -1.017 1.00 0.00 N ATOM 1744 CD2 HIS A 115 5.101 2.012 -0.424 1.00 0.00 C ATOM 1745 CE1 HIS A 115 6.691 1.418 -1.749 1.00 0.00 C ATOM 1746 NE2 HIS A 115 5.934 2.435 -1.375 1.00 0.00 N ATOM 0 H HIS A 115 4.733 -1.912 2.548 1.00 0.00 H new ATOM 0 HA HIS A 115 5.586 0.863 2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 115 4.948 -1.249 0.560 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.530 -0.225 0.451 1.00 0.00 H new ATOM 0 HD2 HIS A 115 4.361 2.606 0.092 1.00 0.00 H new ATOM 0 HE1 HIS A 115 7.461 1.441 -2.506 1.00 0.00 H new ATOM 0 HE2 HIS A 115 5.979 3.382 -1.750 1.00 0.00 H new ATOM 1754 N LEU A 116 3.507 2.143 2.638 1.00 0.00 N ATOM 1755 CA LEU A 116 2.361 2.959 3.060 1.00 0.00 C ATOM 1756 C LEU A 116 1.693 3.694 1.905 1.00 0.00 C ATOM 1757 O LEU A 116 2.351 4.200 0.993 1.00 0.00 O ATOM 1758 CB LEU A 116 2.775 3.951 4.151 1.00 0.00 C ATOM 1759 CG LEU A 116 2.884 3.369 5.565 1.00 0.00 C ATOM 1760 CD1 LEU A 116 1.584 2.678 5.966 1.00 0.00 C ATOM 1761 CD2 LEU A 116 4.108 2.470 5.739 1.00 0.00 C ATOM 0 H LEU A 116 4.315 2.684 2.331 1.00 0.00 H new ATOM 0 HA LEU A 116 1.622 2.266 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.738 4.382 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.054 4.768 4.168 1.00 0.00 H new ATOM 0 HG LEU A 116 3.038 4.201 6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.683 2.272 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.767 3.399 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.372 1.868 5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.135 2.086 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.050 1.637 5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.013 3.046 5.544 1.00 0.00 H new ATOM 1773 N PHE A 117 0.369 3.681 1.993 1.00 0.00 N ATOM 1774 CA PHE A 117 -0.518 4.331 1.014 1.00 0.00 C ATOM 1775 C PHE A 117 -1.797 4.861 1.666 1.00 0.00 C ATOM 1776 O PHE A 117 -2.415 4.176 2.476 1.00 0.00 O ATOM 1777 CB PHE A 117 -0.914 3.330 -0.073 1.00 0.00 C ATOM 1778 CG PHE A 117 0.276 2.878 -0.914 1.00 0.00 C ATOM 1779 CD1 PHE A 117 0.738 3.728 -1.906 1.00 0.00 C ATOM 1780 CD2 PHE A 117 0.910 1.664 -0.675 1.00 0.00 C ATOM 1781 CE1 PHE A 117 1.850 3.382 -2.654 1.00 0.00 C ATOM 1782 CE2 PHE A 117 2.018 1.316 -1.438 1.00 0.00 C ATOM 1783 CZ PHE A 117 2.498 2.182 -2.411 1.00 0.00 C ATOM 0 H PHE A 117 -0.132 3.217 2.750 1.00 0.00 H new ATOM 0 HA PHE A 117 0.033 5.170 0.588 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.378 2.460 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.663 3.782 -0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.230 4.662 -2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.546 0.999 0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.212 4.046 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.508 0.368 -1.273 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.378 1.920 -2.979 1.00 0.00 H new ATOM 1793 N ALA A 118 -2.222 6.026 1.202 1.00 0.00 N ATOM 1794 CA ALA A 118 -3.504 6.640 1.600 1.00 0.00 C ATOM 1795 C ALA A 118 -4.455 6.662 0.397 1.00 0.00 C ATOM 1796 O ALA A 118 -4.012 6.688 -0.749 1.00 0.00 O ATOM 1797 CB ALA A 118 -3.258 8.073 2.075 1.00 0.00 C ATOM 0 H ALA A 118 -1.692 6.585 0.534 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.949 6.059 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.205 8.526 2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.580 8.062 2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.813 8.653 1.266 1.00 0.00 H new ATOM 1803 N GLU A 119 -5.750 6.506 0.644 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.768 6.662 -0.420 1.00 0.00 C ATOM 1805 C GLU A 119 -6.611 8.029 -1.117 1.00 0.00 C ATOM 1806 O GLU A 119 -6.405 9.041 -0.457 1.00 0.00 O ATOM 1807 CB GLU A 119 -8.156 6.495 0.216 1.00 0.00 C ATOM 1808 CG GLU A 119 -9.336 6.717 -0.740 1.00 0.00 C ATOM 1809 CD GLU A 119 -10.023 8.081 -0.586 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -9.308 9.101 -0.496 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -11.271 8.063 -0.586 1.00 0.00 O ATOM 0 H GLU A 119 -6.131 6.273 1.561 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.639 5.902 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.230 5.491 0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.245 7.194 1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.982 6.615 -1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -10.073 5.931 -0.578 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.547 7.989 -2.446 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.528 9.233 -3.240 1.00 0.00 C ATOM 1820 C LEU A 120 -7.880 9.475 -3.918 1.00 0.00 C ATOM 1821 O LEU A 120 -8.508 10.511 -3.712 1.00 0.00 O ATOM 1822 CB LEU A 120 -5.355 9.217 -4.240 1.00 0.00 C ATOM 1823 CG LEU A 120 -5.015 10.552 -4.929 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -5.987 10.912 -6.059 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -4.890 11.701 -3.920 1.00 0.00 C ATOM 0 H LEU A 120 -6.508 7.130 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.365 10.076 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.465 8.869 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -5.577 8.482 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.040 10.404 -5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -5.692 11.863 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.964 10.133 -6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -6.997 10.997 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.650 12.624 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.834 11.822 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.098 11.474 -3.206 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.321 8.510 -4.725 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.635 8.609 -5.376 1.00 0.00 C ATOM 1839 C ASP A 121 -10.782 8.401 -4.368 1.00 0.00 C ATOM 1840 O ASP A 121 -10.875 7.309 -3.805 1.00 0.00 O ATOM 1841 CB ASP A 121 -9.781 7.633 -6.550 1.00 0.00 C ATOM 1842 CG ASP A 121 -9.347 8.207 -7.906 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -8.882 9.365 -7.956 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -9.454 7.430 -8.878 1.00 0.00 O ATOM 0 H ASP A 121 -7.799 7.661 -4.944 1.00 0.00 H new ATOM 0 HA ASP A 121 -9.701 9.621 -5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -9.191 6.741 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -10.822 7.318 -6.618 1.00 0.00 H new ATOM 1849 N PRO A 122 -11.724 9.351 -4.303 1.00 0.00 N ATOM 1850 CA PRO A 122 -12.957 9.199 -3.501 1.00 0.00 C ATOM 1851 C PRO A 122 -13.870 8.057 -3.991 1.00 0.00 C ATOM 1852 O PRO A 122 -14.772 7.633 -3.276 1.00 0.00 O ATOM 1853 CB PRO A 122 -13.627 10.573 -3.551 1.00 0.00 C ATOM 1854 CG PRO A 122 -13.166 11.150 -4.890 1.00 0.00 C ATOM 1855 CD PRO A 122 -11.729 10.643 -5.021 1.00 0.00 C ATOM 0 HA PRO A 122 -12.732 8.900 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -14.713 10.491 -3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -13.317 11.201 -2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.791 10.803 -5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -13.209 12.239 -4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -11.447 10.517 -6.066 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -11.019 11.344 -4.581 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.598 7.554 -5.199 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.269 6.370 -5.778 1.00 0.00 C ATOM 1865 C ASP A 123 -13.691 5.024 -5.308 1.00 0.00 C ATOM 1866 O ASP A 123 -14.378 4.008 -5.362 1.00 0.00 O ATOM 1867 CB ASP A 123 -14.230 6.424 -7.310 1.00 0.00 C ATOM 1868 CG ASP A 123 -15.613 6.583 -7.958 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -16.622 6.220 -7.316 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -15.613 7.043 -9.120 1.00 0.00 O ATOM 0 H ASP A 123 -12.895 7.959 -5.817 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.296 6.417 -5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -13.596 7.255 -7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -13.766 5.512 -7.685 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.425 5.030 -4.887 1.00 0.00 N ATOM 1876 CA GLN A 124 -11.729 3.819 -4.417 1.00 0.00 C ATOM 1877 C GLN A 124 -11.211 4.011 -2.980 1.00 0.00 C ATOM 1878 O GLN A 124 -10.115 4.541 -2.793 1.00 0.00 O ATOM 1879 CB GLN A 124 -10.584 3.422 -5.354 1.00 0.00 C ATOM 1880 CG GLN A 124 -10.971 2.279 -6.301 1.00 0.00 C ATOM 1881 CD GLN A 124 -12.038 2.664 -7.327 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -13.131 2.123 -7.374 1.00 0.00 O ATOM 1883 NE2 GLN A 124 -11.710 3.563 -8.230 1.00 0.00 N ATOM 0 H GLN A 124 -11.849 5.871 -4.860 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.454 3.005 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.281 4.289 -5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.720 3.122 -4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.080 1.938 -6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.334 1.437 -5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.797 4.015 -8.191 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.369 3.808 -8.969 1.00 0.00 H new ATOM 1892 N PRO A 125 -12.035 3.679 -1.978 1.00 0.00 N ATOM 1893 CA PRO A 125 -11.621 3.734 -0.563 1.00 0.00 C ATOM 1894 C PRO A 125 -10.522 2.713 -0.249 1.00 0.00 C ATOM 1895 O PRO A 125 -10.433 1.648 -0.860 1.00 0.00 O ATOM 1896 CB PRO A 125 -12.901 3.508 0.245 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.824 2.749 -0.707 1.00 0.00 C ATOM 1898 CD PRO A 125 -13.452 3.280 -2.092 1.00 0.00 C ATOM 0 HA PRO A 125 -11.170 4.693 -0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -12.703 2.933 1.149 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -13.344 4.453 0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.669 1.672 -0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.873 2.935 -0.478 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.587 2.516 -2.857 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -14.079 4.126 -2.372 1.00 0.00 H new ATOM 1906 N ALA A 126 -9.744 3.028 0.782 1.00 0.00 N ATOM 1907 CA ALA A 126 -8.608 2.185 1.212 1.00 0.00 C ATOM 1908 C ALA A 126 -9.054 0.783 1.663 1.00 0.00 C ATOM 1909 O ALA A 126 -8.530 -0.214 1.174 1.00 0.00 O ATOM 1910 CB ALA A 126 -7.824 2.895 2.313 1.00 0.00 C ATOM 0 H ALA A 126 -9.873 3.867 1.347 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.958 2.037 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.988 2.269 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.445 3.845 1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.478 3.079 3.165 1.00 0.00 H new ATOM 1916 N ALA A 127 -10.142 0.739 2.436 1.00 0.00 N ATOM 1917 CA ALA A 127 -10.848 -0.514 2.773 1.00 0.00 C ATOM 1918 C ALA A 127 -11.257 -1.355 1.553 1.00 0.00 C ATOM 1919 O ALA A 127 -10.964 -2.542 1.544 1.00 0.00 O ATOM 1920 CB ALA A 127 -12.057 -0.223 3.663 1.00 0.00 C ATOM 0 H ALA A 127 -10.564 1.570 2.850 1.00 0.00 H new ATOM 0 HA ALA A 127 -10.129 -1.125 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.566 -1.157 3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.724 0.255 4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.744 0.441 3.138 1.00 0.00 H new ATOM 1926 N ALA A 128 -11.685 -0.709 0.467 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.002 -1.407 -0.799 1.00 0.00 C ATOM 1928 C ALA A 128 -10.748 -1.964 -1.487 1.00 0.00 C ATOM 1929 O ALA A 128 -10.713 -3.138 -1.847 1.00 0.00 O ATOM 1930 CB ALA A 128 -12.754 -0.498 -1.773 1.00 0.00 C ATOM 0 H ALA A 128 -11.823 0.301 0.430 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.645 -2.244 -0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -12.969 -1.046 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.689 -0.172 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.141 0.372 -2.006 1.00 0.00 H new ATOM 1936 N ILE A 129 -9.665 -1.187 -1.442 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.349 -1.634 -1.934 1.00 0.00 C ATOM 1938 C ILE A 129 -7.788 -2.829 -1.150 1.00 0.00 C ATOM 1939 O ILE A 129 -7.310 -3.774 -1.766 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.414 -0.422 -2.141 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -7.780 0.262 -3.471 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -5.905 -0.696 -2.036 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -7.816 -0.683 -4.687 1.00 0.00 C ATOM 0 H ILE A 129 -9.668 -0.238 -1.068 1.00 0.00 H new ATOM 0 HA ILE A 129 -8.458 -2.067 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 129 -7.591 0.242 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -8.756 0.735 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.060 1.057 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.355 0.231 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -5.674 -1.085 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.615 -1.428 -2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -8.082 -0.117 -5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.835 -1.137 -4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -8.557 -1.465 -4.519 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.113 -2.865 0.134 1.00 0.00 N ATOM 1956 CA VAL A 130 -7.778 -3.977 1.039 1.00 0.00 C ATOM 1957 C VAL A 130 -8.757 -5.166 0.947 1.00 0.00 C ATOM 1958 O VAL A 130 -8.341 -6.308 1.102 1.00 0.00 O ATOM 1959 CB VAL A 130 -7.542 -3.378 2.434 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -7.676 -4.370 3.595 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -6.134 -2.774 2.447 1.00 0.00 C ATOM 0 H VAL A 130 -8.626 -2.113 0.593 1.00 0.00 H new ATOM 0 HA VAL A 130 -6.853 -4.466 0.734 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.324 -2.637 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.492 -3.854 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -8.682 -4.789 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -6.949 -5.173 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -5.934 -2.339 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.401 -3.554 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.064 -1.999 1.684 1.00 0.00 H new ATOM 1971 N ASN A 131 -10.016 -4.897 0.620 1.00 0.00 N ATOM 1972 CA ASN A 131 -11.059 -5.924 0.440 1.00 0.00 C ATOM 1973 C ASN A 131 -10.853 -6.711 -0.867 1.00 0.00 C ATOM 1974 O ASN A 131 -10.977 -7.934 -0.898 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.428 -5.239 0.474 1.00 0.00 C ATOM 1976 CG ASN A 131 -13.510 -6.212 0.939 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -14.220 -6.834 0.162 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -13.669 -6.332 2.237 1.00 0.00 N ATOM 0 H ASN A 131 -10.355 -3.947 0.468 1.00 0.00 H new ATOM 0 HA ASN A 131 -10.998 -6.651 1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.393 -4.380 1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.675 -4.860 -0.518 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.391 -6.950 2.607 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.070 -5.808 2.875 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.370 -5.993 -1.874 1.00 0.00 N ATOM 1986 CA PHE A 132 -9.966 -6.552 -3.174 1.00 0.00 C ATOM 1987 C PHE A 132 -8.567 -7.199 -3.147 1.00 0.00 C ATOM 1988 O PHE A 132 -8.414 -8.352 -3.546 1.00 0.00 O ATOM 1989 CB PHE A 132 -10.094 -5.426 -4.205 1.00 0.00 C ATOM 1990 CG PHE A 132 -9.435 -5.693 -5.559 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -9.474 -6.939 -6.178 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -8.674 -4.669 -6.100 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -8.726 -7.161 -7.324 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -7.932 -4.889 -7.250 1.00 0.00 C ATOM 1995 CZ PHE A 132 -7.950 -6.140 -7.855 1.00 0.00 C ATOM 0 H PHE A 132 -10.243 -4.983 -1.816 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.621 -7.380 -3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -11.153 -5.227 -4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.661 -4.519 -3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.084 -7.730 -5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.659 -3.699 -5.625 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -8.747 -8.128 -7.804 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.342 -4.091 -7.675 1.00 0.00 H new ATOM 0 HZ PHE A 132 -7.358 -6.318 -8.741 1.00 0.00 H new ATOM 2005 N VAL A 133 -7.580 -6.519 -2.565 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.206 -7.065 -2.497 1.00 0.00 C ATOM 2007 C VAL A 133 -6.126 -8.346 -1.635 1.00 0.00 C ATOM 2008 O VAL A 133 -5.395 -9.272 -1.979 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.205 -5.955 -2.118 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.172 -5.607 -0.626 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -3.813 -6.246 -2.682 1.00 0.00 C ATOM 0 H VAL A 133 -7.693 -5.600 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.908 -7.406 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.579 -5.049 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.441 -4.818 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.157 -5.264 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -4.895 -6.491 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.130 -5.445 -2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.449 -7.192 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -3.866 -6.308 -3.769 1.00 0.00 H new ATOM 2021 N SER A 134 -6.998 -8.419 -0.629 1.00 0.00 N ATOM 2022 CA SER A 134 -7.141 -9.589 0.262 1.00 0.00 C ATOM 2023 C SER A 134 -7.931 -10.742 -0.386 1.00 0.00 C ATOM 2024 O SER A 134 -7.461 -11.877 -0.357 1.00 0.00 O ATOM 2025 CB SER A 134 -7.787 -9.164 1.582 1.00 0.00 C ATOM 2026 OG SER A 134 -7.517 -10.100 2.624 1.00 0.00 O ATOM 0 H SER A 134 -7.639 -7.659 -0.400 1.00 0.00 H new ATOM 0 HA SER A 134 -6.139 -9.973 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.415 -8.181 1.870 1.00 0.00 H new ATOM 0 HB3 SER A 134 -8.864 -9.070 1.447 1.00 0.00 H new ATOM 0 HG SER A 134 -7.942 -9.798 3.454 1.00 0.00 H new ATOM 2032 N ARG A 135 -8.978 -10.431 -1.163 1.00 0.00 N ATOM 2033 CA ARG A 135 -9.742 -11.471 -1.898 1.00 0.00 C ATOM 2034 C ARG A 135 -8.912 -12.191 -2.981 1.00 0.00 C ATOM 2035 O ARG A 135 -9.267 -13.283 -3.419 1.00 0.00 O ATOM 2036 CB ARG A 135 -11.065 -10.974 -2.505 1.00 0.00 C ATOM 2037 CG ARG A 135 -10.917 -9.999 -3.677 1.00 0.00 C ATOM 2038 CD ARG A 135 -12.181 -9.870 -4.525 1.00 0.00 C ATOM 2039 NE ARG A 135 -12.197 -10.869 -5.624 1.00 0.00 N ATOM 2040 CZ ARG A 135 -13.020 -10.797 -6.684 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -13.827 -9.801 -6.863 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -13.004 -11.728 -7.647 1.00 0.00 N ATOM 0 H ARG A 135 -9.319 -9.480 -1.304 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.991 -12.192 -1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.639 -11.837 -2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.647 -10.490 -1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -10.647 -9.016 -3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -10.095 -10.329 -4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -13.060 -10.005 -3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.240 -8.865 -4.943 1.00 0.00 H new ATOM 0 HE ARG A 135 -11.547 -11.653 -5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -13.852 -9.037 -6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -14.438 -9.780 -7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -12.357 -12.514 -7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -13.639 -11.651 -8.442 1.00 0.00 H new ATOM 2056 N VAL A 136 -7.918 -11.473 -3.505 1.00 0.00 N ATOM 2057 CA VAL A 136 -6.944 -11.988 -4.493 1.00 0.00 C ATOM 2058 C VAL A 136 -5.943 -12.976 -3.857 1.00 0.00 C ATOM 2059 O VAL A 136 -5.603 -13.988 -4.468 1.00 0.00 O ATOM 2060 CB VAL A 136 -6.275 -10.796 -5.215 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -5.121 -11.191 -6.143 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -7.312 -10.071 -6.077 1.00 0.00 C ATOM 0 H VAL A 136 -7.756 -10.497 -3.256 1.00 0.00 H new ATOM 0 HA VAL A 136 -7.465 -12.578 -5.247 1.00 0.00 H new ATOM 0 HB VAL A 136 -5.871 -10.168 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.707 -10.297 -6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -4.344 -11.691 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.490 -11.866 -6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -6.839 -9.231 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -7.717 -10.762 -6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -8.119 -9.704 -5.443 1.00 0.00 H new ATOM 2072 N MET A 137 -5.597 -12.739 -2.592 1.00 0.00 N ATOM 2073 CA MET A 137 -4.640 -13.575 -1.842 1.00 0.00 C ATOM 2074 C MET A 137 -5.358 -14.512 -0.846 1.00 0.00 C ATOM 2075 O MET A 137 -5.153 -14.452 0.366 1.00 0.00 O ATOM 2076 CB MET A 137 -3.584 -12.685 -1.157 1.00 0.00 C ATOM 2077 CG MET A 137 -4.173 -11.662 -0.177 1.00 0.00 C ATOM 2078 SD MET A 137 -3.090 -11.309 1.253 1.00 0.00 S ATOM 2079 CE MET A 137 -4.313 -11.265 2.545 1.00 0.00 C ATOM 0 H MET A 137 -5.970 -11.960 -2.050 1.00 0.00 H new ATOM 0 HA MET A 137 -4.121 -14.226 -2.546 1.00 0.00 H new ATOM 0 HB2 MET A 137 -2.879 -13.321 -0.622 1.00 0.00 H new ATOM 0 HB3 MET A 137 -3.018 -12.155 -1.923 1.00 0.00 H new ATOM 0 HG2 MET A 137 -4.370 -10.732 -0.711 1.00 0.00 H new ATOM 0 HG3 MET A 137 -5.132 -12.031 0.187 1.00 0.00 H new ATOM 0 HE1 MET A 137 -3.817 -11.201 3.514 1.00 0.00 H new ATOM 0 HE2 MET A 137 -4.955 -10.395 2.408 1.00 0.00 H new ATOM 0 HE3 MET A 137 -4.917 -12.172 2.506 1.00 0.00 H new