USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 751 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 87 ASN : amide:sc= -2.89! K(o=-4.6!,f=-3.2) USER MOD Set 1.2: A 118 TYR OH : rot -30:sc= -1.76! USER MOD Set 2.1: A 89 ASN : amide:sc= -1.25 K(o=-4.2,f=-6.8!) USER MOD Set 2.2: A 91 MET CE :methyl 167:sc= -0.0196 (180deg=-0.249) USER MOD Set 2.3: A 108 HIS : no HD1:sc= -2.91! K(o=-4.2!,f=-3.3) USER MOD Set 3.1: A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 103 THR OG1 : rot 180:sc= 0.0222 USER MOD Set 4.1: A 78 LYS NZ :NH3+ 170:sc= 1.25 (180deg=-0.0726) USER MOD Set 4.2: A 94 TYR OH : rot 56:sc= 1.96 USER MOD Set 5.1: A 76 TYR OH : rot 180:sc= 1.07 USER MOD Set 5.2: A 80 LYS NZ :NH3+ 179:sc= 2.39 (180deg=1.15) USER MOD Single : A 32 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.2) USER MOD Single : A 38 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= -0.614 K(o=-0.61,f=-1.7) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.948 USER MOD Single : A 43 ASN : amide:sc= -1.86! C(o=-1.9!,f=-11!) USER MOD Single : A 50 THR OG1 : rot -18:sc= -0.566! USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0.926 (180deg=0.897) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.623 K(o=0.62,f=-5.6!) USER MOD Single : A 64 LYS NZ :NH3+ -126:sc= 0.215 (180deg=-0.72) USER MOD Single : A 69 CYS SG : rot 49:sc= 0.00112 USER MOD Single : A 70 THR OG1 : rot -176:sc= -0.819! USER MOD Single : A 72 SER OG : rot -109:sc= -0.4! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 104 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.15) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 131:sc= -0.229 (180deg=-0.789) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 171:sc= 0.676 (180deg=0.634) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0764 USER MOD Single : A 117 SER OG : rot 140:sc= -2.06! USER MOD Single : A 123 LYS NZ :NH3+ -171:sc= 0.279 (180deg=0.183) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -6.097 -2.370 11.759 1.00 1.27 N ATOM 31 CA PHE A 28 -4.696 -2.115 11.461 1.00 1.21 C ATOM 32 C PHE A 28 -4.272 -2.989 10.292 1.00 0.94 C ATOM 33 O PHE A 28 -4.295 -4.216 10.390 1.00 0.94 O ATOM 34 CB PHE A 28 -3.816 -2.399 12.682 1.00 1.52 C ATOM 35 CG PHE A 28 -4.162 -1.566 13.884 1.00 1.96 C ATOM 36 CD1 PHE A 28 -3.808 -0.227 13.943 1.00 2.75 C ATOM 37 CD2 PHE A 28 -4.842 -2.122 14.954 1.00 2.12 C ATOM 38 CE1 PHE A 28 -4.125 0.540 15.047 1.00 3.75 C ATOM 39 CE2 PHE A 28 -5.161 -1.359 16.061 1.00 2.99 C ATOM 40 CZ PHE A 28 -4.802 -0.023 16.104 1.00 3.85 C ATOM 0 HA PHE A 28 -4.573 -1.064 11.199 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -3.904 -3.453 12.944 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -2.774 -2.222 12.416 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -3.278 0.222 13.116 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -5.126 -3.163 14.923 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -3.841 1.582 15.080 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -5.689 -1.804 16.891 1.00 2.99 H new ATOM 0 HZ PHE A 28 -5.053 0.577 16.966 1.00 3.85 H new ATOM 50 N GLY A 29 -3.892 -2.364 9.189 1.00 0.85 N ATOM 51 CA GLY A 29 -3.619 -3.112 7.984 1.00 0.73 C ATOM 52 C GLY A 29 -2.146 -3.290 7.725 1.00 0.63 C ATOM 53 O GLY A 29 -1.423 -2.324 7.499 1.00 0.69 O ATOM 0 H GLY A 29 -3.768 -1.355 9.108 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.091 -4.092 8.056 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -4.073 -2.601 7.135 1.00 0.73 H new ATOM 57 N ALA A 30 -1.703 -4.535 7.763 1.00 0.66 N ATOM 58 CA ALA A 30 -0.323 -4.863 7.476 1.00 0.59 C ATOM 59 C ALA A 30 -0.216 -5.475 6.090 1.00 0.56 C ATOM 60 O ALA A 30 -0.587 -6.629 5.873 1.00 0.65 O ATOM 61 CB ALA A 30 0.233 -5.811 8.527 1.00 0.71 C ATOM 0 H ALA A 30 -2.287 -5.339 7.992 1.00 0.66 H new ATOM 0 HA ALA A 30 0.269 -3.948 7.502 1.00 0.59 H new ATOM 0 HB1 ALA A 30 1.271 -6.045 8.293 1.00 0.71 H new ATOM 0 HB2 ALA A 30 0.180 -5.338 9.508 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -0.353 -6.730 8.535 1.00 0.71 H new ATOM 67 N ILE A 31 0.268 -4.682 5.155 1.00 0.49 N ATOM 68 CA ILE A 31 0.406 -5.112 3.777 1.00 0.53 C ATOM 69 C ILE A 31 1.893 -5.192 3.432 1.00 0.43 C ATOM 70 O ILE A 31 2.720 -4.614 4.134 1.00 0.49 O ATOM 71 CB ILE A 31 -0.214 -4.264 2.953 1.00 0.62 C ATOM 72 CG1 ILE A 31 -1.635 -3.963 3.441 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.261 -4.807 1.531 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.377 -2.964 2.578 1.00 0.96 C ATOM 0 H ILE A 31 0.576 -3.725 5.327 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.055 -6.093 3.657 1.00 0.53 H new ATOM 0 HB ILE A 31 0.361 -3.338 2.951 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.203 -4.893 3.474 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -1.586 -3.583 4.461 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.772 -4.093 0.886 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.755 -4.963 1.167 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -0.799 -5.755 1.521 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.375 -2.802 2.986 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -1.832 -2.020 2.564 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.459 -3.351 1.562 1.00 0.96 H new ATOM 86 N GLN A 32 2.255 -5.959 2.415 1.00 0.39 N ATOM 87 CA GLN A 32 3.641 -5.992 1.974 1.00 0.34 C ATOM 88 C GLN A 32 3.745 -5.544 0.517 1.00 0.33 C ATOM 89 O GLN A 32 3.235 -6.217 -0.381 1.00 0.36 O ATOM 90 CB GLN A 32 4.212 -7.399 2.164 1.00 0.37 C ATOM 91 CG GLN A 32 5.730 -7.474 2.088 1.00 0.53 C ATOM 92 CD GLN A 32 6.264 -8.832 2.492 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.611 -9.856 2.291 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.451 -8.853 3.080 1.00 0.86 N ATOM 0 H GLN A 32 1.620 -6.558 1.887 1.00 0.39 H new ATOM 0 HA GLN A 32 4.228 -5.300 2.578 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.889 -7.782 3.132 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.789 -8.056 1.404 1.00 0.37 H new ATOM 0 HG2 GLN A 32 6.051 -7.249 1.071 1.00 0.53 H new ATOM 0 HG3 GLN A 32 6.161 -6.710 2.735 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.962 -7.983 3.229 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.854 -9.739 3.384 1.00 0.86 H new ATOM 103 N LEU A 33 4.371 -4.387 0.291 1.00 0.38 N ATOM 104 CA LEU A 33 4.562 -3.870 -1.066 1.00 0.41 C ATOM 105 C LEU A 33 6.046 -3.863 -1.385 1.00 0.33 C ATOM 106 O LEU A 33 6.852 -3.557 -0.518 1.00 0.36 O ATOM 107 CB LEU A 33 4.041 -2.433 -1.247 1.00 0.56 C ATOM 108 CG LEU A 33 2.730 -2.062 -0.547 1.00 0.91 C ATOM 109 CD1 LEU A 33 2.246 -0.699 -1.018 1.00 1.24 C ATOM 110 CD2 LEU A 33 1.661 -3.113 -0.789 1.00 1.62 C ATOM 0 H LEU A 33 4.753 -3.792 1.027 1.00 0.38 H new ATOM 0 HA LEU A 33 3.996 -4.521 -1.732 1.00 0.41 H new ATOM 0 HB2 LEU A 33 4.814 -1.749 -0.898 1.00 0.56 H new ATOM 0 HB3 LEU A 33 3.915 -2.253 -2.315 1.00 0.56 H new ATOM 0 HG LEU A 33 2.923 -2.018 0.525 1.00 0.91 H new ATOM 0 HD11 LEU A 33 1.314 -0.449 -0.512 1.00 1.24 H new ATOM 0 HD12 LEU A 33 2.998 0.055 -0.785 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.079 -0.724 -2.095 1.00 1.24 H new ATOM 0 HD21 LEU A 33 0.742 -2.822 -0.280 1.00 1.62 H new ATOM 0 HD22 LEU A 33 1.471 -3.199 -1.859 1.00 1.62 H new ATOM 0 HD23 LEU A 33 2.001 -4.074 -0.402 1.00 1.62 H new ATOM 122 N ASP A 34 6.416 -4.167 -2.614 1.00 0.33 N ATOM 123 CA ASP A 34 7.832 -4.197 -2.984 1.00 0.34 C ATOM 124 C ASP A 34 8.201 -2.940 -3.764 1.00 0.40 C ATOM 125 O ASP A 34 7.323 -2.170 -4.149 1.00 0.43 O ATOM 126 CB ASP A 34 8.180 -5.445 -3.799 1.00 0.38 C ATOM 127 CG ASP A 34 8.032 -5.228 -5.292 1.00 0.51 C ATOM 128 OD1 ASP A 34 6.908 -4.988 -5.757 1.00 0.89 O ATOM 129 OD2 ASP A 34 9.052 -5.287 -6.007 1.00 1.22 O ATOM 0 H ASP A 34 5.771 -4.395 -3.370 1.00 0.33 H new ATOM 0 HA ASP A 34 8.412 -4.231 -2.062 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.205 -5.744 -3.579 1.00 0.38 H new ATOM 0 HB3 ASP A 34 7.535 -6.268 -3.490 1.00 0.38 H new ATOM 134 N GLY A 35 9.503 -2.733 -3.963 1.00 0.47 N ATOM 135 CA GLY A 35 10.011 -1.511 -4.573 1.00 0.57 C ATOM 136 C GLY A 35 9.336 -1.126 -5.881 1.00 0.64 C ATOM 137 O GLY A 35 9.192 0.063 -6.176 1.00 0.79 O ATOM 0 H GLY A 35 10.228 -3.404 -3.707 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.894 -0.691 -3.864 1.00 0.57 H new ATOM 0 HA3 GLY A 35 11.080 -1.627 -4.752 1.00 0.57 H new ATOM 141 N ASP A 36 8.926 -2.113 -6.670 1.00 0.58 N ATOM 142 CA ASP A 36 8.275 -1.840 -7.952 1.00 0.66 C ATOM 143 C ASP A 36 6.805 -1.485 -7.766 1.00 0.61 C ATOM 144 O ASP A 36 6.194 -0.849 -8.629 1.00 0.78 O ATOM 145 CB ASP A 36 8.413 -3.027 -8.906 1.00 0.69 C ATOM 146 CG ASP A 36 9.652 -2.930 -9.771 1.00 1.21 C ATOM 147 OD1 ASP A 36 9.602 -2.258 -10.825 1.00 1.95 O ATOM 148 OD2 ASP A 36 10.684 -3.538 -9.408 1.00 1.56 O ATOM 0 H ASP A 36 9.030 -3.103 -6.449 1.00 0.58 H new ATOM 0 HA ASP A 36 8.781 -0.981 -8.392 1.00 0.66 H new ATOM 0 HB2 ASP A 36 8.447 -3.951 -8.329 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.531 -3.082 -9.544 1.00 0.69 H new ATOM 153 N GLY A 37 6.244 -1.881 -6.635 1.00 0.51 N ATOM 154 CA GLY A 37 4.860 -1.565 -6.349 1.00 0.53 C ATOM 155 C GLY A 37 3.954 -2.775 -6.432 1.00 0.47 C ATOM 156 O GLY A 37 2.734 -2.639 -6.536 1.00 0.53 O ATOM 0 H GLY A 37 6.722 -2.416 -5.909 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.789 -1.131 -5.351 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.512 -0.807 -7.051 1.00 0.53 H new ATOM 160 N ASN A 38 4.542 -3.961 -6.390 1.00 0.40 N ATOM 161 CA ASN A 38 3.770 -5.191 -6.435 1.00 0.39 C ATOM 162 C ASN A 38 3.258 -5.541 -5.056 1.00 0.34 C ATOM 163 O ASN A 38 3.903 -5.246 -4.048 1.00 0.40 O ATOM 164 CB ASN A 38 4.604 -6.351 -6.975 1.00 0.44 C ATOM 165 CG ASN A 38 4.766 -6.311 -8.483 1.00 0.70 C ATOM 166 OD1 ASN A 38 5.789 -6.736 -9.021 1.00 1.30 O ATOM 167 ND2 ASN A 38 3.750 -5.820 -9.177 1.00 1.24 N ATOM 0 H ASN A 38 5.551 -4.097 -6.325 1.00 0.40 H new ATOM 0 HA ASN A 38 2.928 -5.026 -7.107 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.589 -6.332 -6.508 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.135 -7.293 -6.690 1.00 0.44 H new ATOM 0 HD21 ASN A 38 3.798 -5.784 -10.195 1.00 1.24 H new ATOM 0 HD22 ASN A 38 2.920 -5.478 -8.693 1.00 1.24 H new ATOM 174 N ILE A 39 2.093 -6.159 -5.018 1.00 0.32 N ATOM 175 CA ILE A 39 1.505 -6.562 -3.766 1.00 0.32 C ATOM 176 C ILE A 39 1.899 -7.990 -3.435 1.00 0.36 C ATOM 177 O ILE A 39 2.123 -8.813 -4.327 1.00 0.41 O ATOM 178 CB ILE A 39 0.183 -6.487 -3.784 1.00 0.37 C ATOM 179 CG1 ILE A 39 -0.304 -5.190 -4.422 1.00 0.41 C ATOM 180 CG2 ILE A 39 -0.366 -6.605 -2.369 1.00 0.43 C ATOM 181 CD1 ILE A 39 0.051 -3.963 -3.624 1.00 0.89 C ATOM 0 H ILE A 39 1.539 -6.391 -5.843 1.00 0.32 H new ATOM 0 HA ILE A 39 1.881 -5.874 -3.009 1.00 0.32 H new ATOM 0 HB ILE A 39 -0.185 -7.315 -4.390 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.124 -5.102 -5.421 1.00 0.41 H new ATOM 0 HG13 ILE A 39 -1.386 -5.236 -4.542 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.454 -6.542 -2.394 1.00 0.43 H new ATOM 0 HG22 ILE A 39 -0.068 -7.562 -1.942 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.030 -5.795 -1.756 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -0.325 -3.076 -4.134 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -0.399 -4.030 -2.634 1.00 0.89 H new ATOM 0 HD13 ILE A 39 1.134 -3.893 -3.526 1.00 0.89 H new ATOM 193 N LEU A 40 2.072 -8.245 -2.156 1.00 0.40 N ATOM 194 CA LEU A 40 2.297 -9.579 -1.656 1.00 0.49 C ATOM 195 C LEU A 40 1.007 -10.180 -1.143 1.00 0.56 C ATOM 196 O LEU A 40 0.522 -11.186 -1.658 1.00 0.73 O ATOM 197 CB LEU A 40 3.304 -9.510 -0.526 1.00 0.55 C ATOM 198 CG LEU A 40 4.761 -9.689 -0.949 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.029 -11.131 -1.359 1.00 1.39 C ATOM 200 CD2 LEU A 40 5.097 -8.741 -2.095 1.00 1.45 C ATOM 0 H LEU A 40 2.060 -7.527 -1.432 1.00 0.40 H new ATOM 0 HA LEU A 40 2.674 -10.206 -2.464 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.202 -8.547 -0.027 1.00 0.55 H new ATOM 0 HB3 LEU A 40 3.057 -10.277 0.208 1.00 0.55 H new ATOM 0 HG LEU A 40 5.399 -9.451 -0.098 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.072 -11.237 -1.657 1.00 1.39 H new ATOM 0 HD12 LEU A 40 4.823 -11.793 -0.518 1.00 1.39 H new ATOM 0 HD13 LEU A 40 4.384 -11.397 -2.196 1.00 1.39 H new ATOM 0 HD21 LEU A 40 6.138 -8.878 -2.387 1.00 1.45 H new ATOM 0 HD22 LEU A 40 4.450 -8.955 -2.946 1.00 1.45 H new ATOM 0 HD23 LEU A 40 4.943 -7.711 -1.772 1.00 1.45 H new ATOM 212 N GLN A 41 0.462 -9.542 -0.120 1.00 0.59 N ATOM 213 CA GLN A 41 -0.738 -10.014 0.533 1.00 0.73 C ATOM 214 C GLN A 41 -1.252 -8.961 1.494 1.00 0.61 C ATOM 215 O GLN A 41 -0.502 -8.066 1.908 1.00 0.60 O ATOM 216 CB GLN A 41 -0.467 -11.339 1.264 1.00 0.99 C ATOM 217 CG GLN A 41 0.760 -11.330 2.174 1.00 0.88 C ATOM 218 CD GLN A 41 0.531 -10.633 3.501 1.00 1.20 C ATOM 219 OE1 GLN A 41 -0.575 -10.635 4.035 1.00 1.99 O ATOM 220 NE2 GLN A 41 1.577 -10.037 4.046 1.00 1.30 N ATOM 0 H GLN A 41 0.842 -8.683 0.278 1.00 0.59 H new ATOM 0 HA GLN A 41 -1.503 -10.197 -0.221 1.00 0.73 H new ATOM 0 HB2 GLN A 41 -1.343 -11.594 1.861 1.00 0.99 H new ATOM 0 HB3 GLN A 41 -0.346 -12.129 0.522 1.00 0.99 H new ATOM 0 HG2 GLN A 41 1.069 -12.358 2.363 1.00 0.88 H new ATOM 0 HG3 GLN A 41 1.583 -10.840 1.654 1.00 0.88 H new ATOM 0 HE21 GLN A 41 2.480 -10.057 3.572 1.00 1.30 H new ATOM 0 HE22 GLN A 41 1.482 -9.557 4.941 1.00 1.30 H new ATOM 229 N TYR A 42 -2.530 -9.057 1.813 1.00 0.68 N ATOM 230 CA TYR A 42 -3.146 -8.188 2.805 1.00 0.69 C ATOM 231 C TYR A 42 -3.503 -9.004 4.039 1.00 0.78 C ATOM 232 O TYR A 42 -3.836 -10.188 3.933 1.00 1.25 O ATOM 233 CB TYR A 42 -4.427 -7.518 2.276 1.00 0.78 C ATOM 234 CG TYR A 42 -4.261 -6.651 1.037 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.355 -6.101 0.373 1.00 0.83 C ATOM 236 CD2 TYR A 42 -2.991 -6.410 0.511 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.182 -5.343 -0.771 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.821 -5.649 -0.625 1.00 0.56 C ATOM 239 CZ TYR A 42 -3.997 -5.010 -1.197 1.00 0.63 C ATOM 240 OH TYR A 42 -3.741 -4.370 -2.401 1.00 0.71 O ATOM 0 H TYR A 42 -3.169 -9.734 1.396 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.425 -7.406 3.045 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -5.157 -8.297 2.055 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.848 -6.904 3.072 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -6.351 -6.268 0.756 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -2.125 -6.828 1.004 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.051 -5.019 -1.325 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -1.847 -5.531 -1.076 1.00 0.56 H new ATOM 0 HH TYR A 42 -2.776 -4.226 -2.496 1.00 0.71 H new ATOM 250 N ASN A 43 -3.439 -8.376 5.199 1.00 0.89 N ATOM 251 CA ASN A 43 -3.852 -9.026 6.434 1.00 0.95 C ATOM 252 C ASN A 43 -5.375 -8.973 6.559 1.00 1.08 C ATOM 253 O ASN A 43 -6.066 -8.522 5.640 1.00 1.63 O ATOM 254 CB ASN A 43 -3.189 -8.363 7.647 1.00 0.96 C ATOM 255 CG ASN A 43 -3.735 -6.979 7.951 1.00 1.38 C ATOM 256 OD1 ASN A 43 -4.175 -6.253 7.059 1.00 2.13 O ATOM 257 ND2 ASN A 43 -3.701 -6.599 9.217 1.00 1.66 N ATOM 0 H ASN A 43 -3.106 -7.419 5.314 1.00 0.89 H new ATOM 0 HA ASN A 43 -3.533 -10.068 6.406 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -3.327 -9.000 8.521 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -2.116 -8.292 7.471 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -4.047 -5.677 9.482 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -3.329 -7.228 9.929 1.00 1.66 H new ATOM 264 N ALA A 44 -5.897 -9.402 7.702 1.00 1.12 N ATOM 265 CA ALA A 44 -7.341 -9.470 7.909 1.00 1.23 C ATOM 266 C ALA A 44 -7.942 -8.096 8.214 1.00 1.22 C ATOM 267 O ALA A 44 -9.016 -7.999 8.799 1.00 1.39 O ATOM 268 CB ALA A 44 -7.661 -10.445 9.031 1.00 1.48 C ATOM 0 H ALA A 44 -5.342 -9.709 8.501 1.00 1.12 H new ATOM 0 HA ALA A 44 -7.791 -9.824 6.981 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -8.740 -10.489 9.178 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -7.290 -11.436 8.769 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -7.183 -10.110 9.951 1.00 1.48 H new ATOM 274 N ALA A 45 -7.237 -7.037 7.847 1.00 1.21 N ATOM 275 CA ALA A 45 -7.748 -5.685 8.002 1.00 1.34 C ATOM 276 C ALA A 45 -8.360 -5.155 6.715 1.00 1.26 C ATOM 277 O ALA A 45 -9.561 -4.900 6.645 1.00 1.38 O ATOM 278 CB ALA A 45 -6.638 -4.761 8.448 1.00 1.52 C ATOM 0 H ALA A 45 -6.304 -7.089 7.438 1.00 1.21 H new ATOM 0 HA ALA A 45 -8.533 -5.719 8.758 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -7.030 -3.750 8.562 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -6.239 -5.105 9.402 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -5.843 -4.760 7.702 1.00 1.52 H new ATOM 284 N GLU A 46 -7.518 -4.989 5.704 1.00 1.18 N ATOM 285 CA GLU A 46 -7.914 -4.339 4.461 1.00 1.23 C ATOM 286 C GLU A 46 -9.042 -5.105 3.773 1.00 1.20 C ATOM 287 O GLU A 46 -10.085 -4.532 3.442 1.00 1.42 O ATOM 288 CB GLU A 46 -6.698 -4.221 3.539 1.00 1.27 C ATOM 289 CG GLU A 46 -6.890 -3.250 2.386 1.00 1.10 C ATOM 290 CD GLU A 46 -7.307 -1.868 2.851 1.00 1.31 C ATOM 291 OE1 GLU A 46 -6.923 -1.457 3.971 1.00 2.12 O ATOM 292 OE2 GLU A 46 -8.155 -1.028 2.019 1.00 1.31 O ATOM 0 H GLU A 46 -6.546 -5.299 5.721 1.00 1.18 H new ATOM 0 HA GLU A 46 -8.289 -3.342 4.690 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -5.837 -3.904 4.128 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -6.463 -5.206 3.136 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -5.961 -3.174 1.821 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -7.645 -3.644 1.706 1.00 1.10 H new ATOM 300 N GLY A 47 -8.843 -6.406 3.603 1.00 1.08 N ATOM 301 CA GLY A 47 -9.830 -7.234 2.934 1.00 1.18 C ATOM 302 C GLY A 47 -11.015 -7.563 3.822 1.00 1.25 C ATOM 303 O GLY A 47 -11.968 -8.200 3.380 1.00 1.42 O ATOM 0 H GLY A 47 -8.011 -6.905 3.918 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -10.183 -6.721 2.039 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -9.359 -8.160 2.605 1.00 1.18 H new ATOM 307 N ASP A 48 -10.954 -7.131 5.076 1.00 1.26 N ATOM 308 CA ASP A 48 -12.042 -7.359 6.022 1.00 1.49 C ATOM 309 C ASP A 48 -13.106 -6.285 5.867 1.00 1.53 C ATOM 310 O ASP A 48 -14.253 -6.452 6.290 1.00 1.74 O ATOM 311 CB ASP A 48 -11.490 -7.353 7.447 1.00 1.72 C ATOM 312 CG ASP A 48 -12.543 -7.570 8.517 1.00 2.01 C ATOM 313 OD1 ASP A 48 -12.802 -6.636 9.302 1.00 2.28 O ATOM 314 OD2 ASP A 48 -13.154 -8.661 8.539 1.00 2.35 O ATOM 0 H ASP A 48 -10.161 -6.620 5.463 1.00 1.26 H new ATOM 0 HA ASP A 48 -12.497 -8.328 5.818 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -10.731 -8.131 7.535 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -10.993 -6.400 7.629 1.00 1.72 H new ATOM 319 N ILE A 49 -12.718 -5.181 5.245 1.00 1.50 N ATOM 320 CA ILE A 49 -13.610 -4.048 5.083 1.00 1.74 C ATOM 321 C ILE A 49 -14.022 -3.878 3.619 1.00 1.73 C ATOM 322 O ILE A 49 -15.195 -4.027 3.278 1.00 2.08 O ATOM 323 CB ILE A 49 -13.046 -2.927 5.521 1.00 1.98 C ATOM 324 CG1 ILE A 49 -12.626 -3.056 6.982 1.00 2.10 C ATOM 325 CG2 ILE A 49 -13.976 -1.729 5.338 1.00 2.43 C ATOM 326 CD1 ILE A 49 -13.765 -3.371 7.932 1.00 2.59 C ATOM 0 H ILE A 49 -11.789 -5.048 4.845 1.00 1.50 H new ATOM 0 HA ILE A 49 -14.500 -4.249 5.679 1.00 1.74 H new ATOM 0 HB ILE A 49 -12.152 -2.757 4.921 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -11.873 -3.840 7.064 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -12.153 -2.125 7.296 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -13.485 -0.828 5.706 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -14.210 -1.608 4.280 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -14.897 -1.895 5.897 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -13.380 -3.446 8.949 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -14.510 -2.577 7.883 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -14.225 -4.317 7.648 1.00 2.59 H new ATOM 338 N THR A 50 -13.059 -3.562 2.753 1.00 1.71 N ATOM 339 CA THR A 50 -13.353 -3.249 1.351 1.00 1.95 C ATOM 340 C THR A 50 -12.138 -3.505 0.454 1.00 1.90 C ATOM 341 O THR A 50 -12.269 -4.077 -0.627 1.00 2.37 O ATOM 342 CB THR A 50 -13.711 -1.970 1.214 1.00 2.44 C ATOM 343 OG1 THR A 50 -14.823 -1.663 2.069 1.00 3.41 O ATOM 344 CG2 THR A 50 -14.088 -1.635 -0.224 1.00 2.45 C ATOM 0 H THR A 50 -12.069 -3.516 2.995 1.00 1.71 H new ATOM 0 HA THR A 50 -14.172 -3.901 1.048 1.00 1.95 H new ATOM 0 HB THR A 50 -12.847 -1.369 1.496 1.00 2.44 H new ATOM 0 HG1 THR A 50 -15.262 -2.494 2.346 1.00 3.41 H new ATOM 0 HG21 THR A 50 -14.373 -0.585 -0.290 1.00 2.45 H new ATOM 0 HG22 THR A 50 -13.235 -1.822 -0.877 1.00 2.45 H new ATOM 0 HG23 THR A 50 -14.926 -2.258 -0.535 1.00 2.45 H new ATOM 352 N GLY A 51 -10.959 -3.110 0.935 1.00 1.87 N ATOM 353 CA GLY A 51 -9.759 -3.104 0.113 1.00 2.32 C ATOM 354 C GLY A 51 -9.340 -4.464 -0.424 1.00 1.77 C ATOM 355 O GLY A 51 -8.548 -5.169 0.201 1.00 2.08 O ATOM 0 H GLY A 51 -10.814 -2.790 1.893 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -9.917 -2.431 -0.729 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -8.937 -2.693 0.699 1.00 2.32 H new ATOM 359 N ARG A 52 -9.887 -4.815 -1.589 1.00 1.46 N ATOM 360 CA ARG A 52 -9.460 -5.978 -2.367 1.00 1.09 C ATOM 361 C ARG A 52 -9.637 -7.298 -1.624 1.00 1.03 C ATOM 362 O ARG A 52 -10.181 -7.358 -0.519 1.00 1.29 O ATOM 363 CB ARG A 52 -7.990 -5.838 -2.787 1.00 1.22 C ATOM 364 CG ARG A 52 -7.705 -4.615 -3.645 1.00 1.55 C ATOM 365 CD ARG A 52 -8.660 -4.517 -4.827 1.00 1.67 C ATOM 366 NE ARG A 52 -8.601 -5.695 -5.699 1.00 1.96 N ATOM 367 CZ ARG A 52 -9.681 -6.270 -6.238 1.00 2.47 C ATOM 368 NH1 ARG A 52 -10.892 -5.808 -5.957 1.00 2.72 N ATOM 369 NH2 ARG A 52 -9.551 -7.309 -7.055 1.00 3.14 N ATOM 0 H ARG A 52 -10.648 -4.293 -2.024 1.00 1.46 H new ATOM 0 HA ARG A 52 -10.107 -6.002 -3.244 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -7.370 -5.793 -1.892 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -7.693 -6.731 -3.336 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -7.789 -3.716 -3.035 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -6.679 -4.658 -4.010 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -9.678 -4.394 -4.458 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -8.422 -3.627 -5.409 1.00 1.67 H new ATOM 0 HE ARG A 52 -7.687 -6.097 -5.905 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -11.001 -5.012 -5.328 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -11.714 -6.248 -6.370 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -8.624 -7.672 -7.274 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -10.379 -7.744 -7.463 1.00 3.14 H new ATOM 383 N ASP A 53 -9.198 -8.359 -2.280 1.00 0.94 N ATOM 384 CA ASP A 53 -9.078 -9.663 -1.658 1.00 1.00 C ATOM 385 C ASP A 53 -7.611 -9.907 -1.340 1.00 0.89 C ATOM 386 O ASP A 53 -6.750 -9.679 -2.192 1.00 0.82 O ATOM 387 CB ASP A 53 -9.613 -10.761 -2.582 1.00 1.18 C ATOM 388 CG ASP A 53 -9.370 -12.157 -2.034 1.00 1.55 C ATOM 389 OD1 ASP A 53 -10.306 -12.755 -1.463 1.00 1.90 O ATOM 390 OD2 ASP A 53 -8.242 -12.665 -2.168 1.00 2.10 O ATOM 0 H ASP A 53 -8.915 -8.339 -3.260 1.00 0.94 H new ATOM 0 HA ASP A 53 -9.670 -9.688 -0.743 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -10.683 -10.615 -2.732 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -9.139 -10.671 -3.559 1.00 1.18 H new ATOM 395 N PRO A 54 -7.308 -10.362 -0.116 1.00 1.02 N ATOM 396 CA PRO A 54 -5.927 -10.532 0.366 1.00 1.10 C ATOM 397 C PRO A 54 -5.049 -11.417 -0.525 1.00 1.03 C ATOM 398 O PRO A 54 -3.821 -11.335 -0.456 1.00 1.68 O ATOM 399 CB PRO A 54 -6.108 -11.185 1.739 1.00 1.35 C ATOM 400 CG PRO A 54 -7.476 -10.786 2.171 1.00 1.43 C ATOM 401 CD PRO A 54 -8.295 -10.727 0.916 1.00 1.25 C ATOM 0 HA PRO A 54 -5.406 -9.574 0.379 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -6.013 -12.269 1.677 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -5.353 -10.838 2.445 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -7.890 -11.507 2.876 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -7.461 -9.820 2.675 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -8.768 -11.685 0.699 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -9.092 -9.987 0.990 1.00 1.25 H new ATOM 409 N LYS A 55 -5.662 -12.255 -1.358 1.00 0.89 N ATOM 410 CA LYS A 55 -4.901 -13.188 -2.181 1.00 0.96 C ATOM 411 C LYS A 55 -4.943 -12.794 -3.655 1.00 0.82 C ATOM 412 O LYS A 55 -4.296 -13.424 -4.488 1.00 0.92 O ATOM 413 CB LYS A 55 -5.426 -14.624 -2.029 1.00 1.26 C ATOM 414 CG LYS A 55 -5.551 -15.103 -0.588 1.00 1.53 C ATOM 415 CD LYS A 55 -6.900 -14.730 0.012 1.00 2.06 C ATOM 416 CE LYS A 55 -8.042 -15.457 -0.686 1.00 2.89 C ATOM 417 NZ LYS A 55 -9.373 -14.979 -0.225 1.00 3.61 N ATOM 0 H LYS A 55 -6.673 -12.306 -1.480 1.00 0.89 H new ATOM 0 HA LYS A 55 -3.870 -13.146 -1.831 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -6.403 -14.692 -2.507 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -4.760 -15.299 -2.566 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -5.422 -16.185 -0.551 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -4.752 -14.666 0.012 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -6.907 -14.975 1.074 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -7.050 -13.653 -0.068 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -7.958 -15.313 -1.763 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -7.957 -16.528 -0.500 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -10.121 -15.523 -0.700 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -9.451 -15.108 0.804 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -9.479 -13.971 -0.456 1.00 3.61 H new ATOM 431 N GLN A 56 -5.692 -11.749 -3.978 1.00 0.72 N ATOM 432 CA GLN A 56 -5.870 -11.348 -5.371 1.00 0.73 C ATOM 433 C GLN A 56 -5.042 -10.116 -5.715 1.00 0.63 C ATOM 434 O GLN A 56 -5.360 -9.376 -6.647 1.00 0.79 O ATOM 435 CB GLN A 56 -7.345 -11.087 -5.669 1.00 0.87 C ATOM 436 CG GLN A 56 -8.202 -12.341 -5.620 1.00 1.32 C ATOM 437 CD GLN A 56 -9.621 -12.092 -6.089 1.00 1.92 C ATOM 438 OE1 GLN A 56 -9.866 -11.229 -6.931 1.00 2.50 O ATOM 439 NE2 GLN A 56 -10.566 -12.846 -5.552 1.00 2.41 N ATOM 0 H GLN A 56 -6.184 -11.165 -3.301 1.00 0.72 H new ATOM 0 HA GLN A 56 -5.519 -12.171 -5.993 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -7.731 -10.364 -4.950 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -7.434 -10.634 -6.656 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -7.747 -13.112 -6.241 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -8.222 -12.724 -4.600 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -10.322 -13.551 -4.857 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -11.539 -12.722 -5.833 1.00 2.41 H new ATOM 448 N VAL A 57 -3.973 -9.903 -4.969 1.00 0.52 N ATOM 449 CA VAL A 57 -3.069 -8.791 -5.236 1.00 0.48 C ATOM 450 C VAL A 57 -1.672 -9.283 -5.568 1.00 0.55 C ATOM 451 O VAL A 57 -0.726 -8.503 -5.638 1.00 0.97 O ATOM 452 CB VAL A 57 -2.996 -7.951 -4.216 1.00 0.52 C ATOM 453 CG1 VAL A 57 -4.194 -7.009 -4.223 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.910 -8.701 -2.889 1.00 0.58 C ATOM 0 H VAL A 57 -3.707 -10.483 -4.173 1.00 0.52 H new ATOM 0 HA VAL A 57 -3.484 -8.263 -6.094 1.00 0.48 H new ATOM 0 HB VAL A 57 -2.085 -7.362 -4.325 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -4.122 -6.323 -3.379 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -4.204 -6.440 -5.153 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -5.113 -7.589 -4.142 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.851 -7.985 -2.069 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.796 -9.323 -2.764 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -2.021 -9.332 -2.884 1.00 0.58 H new ATOM 464 N ILE A 58 -1.541 -10.579 -5.786 1.00 0.51 N ATOM 465 CA ILE A 58 -0.231 -11.168 -5.970 1.00 0.57 C ATOM 466 C ILE A 58 0.221 -11.020 -7.412 1.00 0.57 C ATOM 467 O ILE A 58 -0.560 -11.233 -8.341 1.00 0.66 O ATOM 468 CB ILE A 58 -0.205 -12.449 -5.613 1.00 0.70 C ATOM 469 CG1 ILE A 58 -0.837 -12.640 -4.229 1.00 0.93 C ATOM 470 CG2 ILE A 58 1.226 -12.985 -5.622 1.00 1.09 C ATOM 471 CD1 ILE A 58 -0.922 -14.087 -3.788 1.00 1.01 C ATOM 0 H ILE A 58 -2.319 -11.237 -5.839 1.00 0.51 H new ATOM 0 HA ILE A 58 0.458 -10.630 -5.320 1.00 0.57 H new ATOM 0 HB ILE A 58 -0.789 -13.013 -6.340 1.00 0.70 H new ATOM 0 HG12 ILE A 58 -0.257 -12.080 -3.495 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -1.840 -12.213 -4.236 1.00 0.93 H new ATOM 0 HG21 ILE A 58 1.223 -14.034 -5.327 1.00 1.09 H new ATOM 0 HG22 ILE A 58 1.643 -12.891 -6.625 1.00 1.09 H new ATOM 0 HG23 ILE A 58 1.833 -12.412 -4.921 1.00 1.09 H new ATOM 0 HD11 ILE A 58 -1.380 -14.140 -2.800 1.00 1.01 H new ATOM 0 HD12 ILE A 58 -1.527 -14.649 -4.499 1.00 1.01 H new ATOM 0 HD13 ILE A 58 0.080 -14.514 -3.747 1.00 1.01 H new ATOM 483 N GLY A 59 1.465 -10.587 -7.591 1.00 0.59 N ATOM 484 CA GLY A 59 1.975 -10.326 -8.918 1.00 0.66 C ATOM 485 C GLY A 59 1.292 -9.135 -9.542 1.00 0.56 C ATOM 486 O GLY A 59 1.305 -8.959 -10.760 1.00 0.65 O ATOM 0 H GLY A 59 2.128 -10.413 -6.836 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.049 -10.148 -8.869 1.00 0.66 H new ATOM 0 HA3 GLY A 59 1.826 -11.204 -9.547 1.00 0.66 H new ATOM 490 N LYS A 60 0.684 -8.318 -8.700 1.00 0.48 N ATOM 491 CA LYS A 60 -0.119 -7.214 -9.166 1.00 0.45 C ATOM 492 C LYS A 60 0.369 -5.911 -8.565 1.00 0.38 C ATOM 493 O LYS A 60 0.891 -5.891 -7.454 1.00 0.43 O ATOM 494 CB LYS A 60 -1.581 -7.481 -8.824 1.00 0.49 C ATOM 495 CG LYS A 60 -2.242 -8.439 -9.803 1.00 0.80 C ATOM 496 CD LYS A 60 -3.750 -8.491 -9.633 1.00 1.12 C ATOM 497 CE LYS A 60 -4.373 -9.440 -10.646 1.00 1.27 C ATOM 498 NZ LYS A 60 -5.857 -9.435 -10.595 1.00 1.82 N ATOM 0 H LYS A 60 0.735 -8.404 -7.685 1.00 0.48 H new ATOM 0 HA LYS A 60 -0.027 -7.121 -10.248 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.646 -7.893 -7.817 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -2.128 -6.538 -8.818 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -2.004 -8.134 -10.822 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -1.829 -9.438 -9.665 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -3.996 -8.817 -8.622 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -4.170 -7.493 -9.757 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -4.047 -9.161 -11.648 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -4.010 -10.451 -10.462 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -6.231 -10.098 -11.304 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -6.173 -9.727 -9.648 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -6.208 -8.477 -10.797 1.00 1.82 H new ATOM 512 N ASN A 61 0.224 -4.830 -9.313 1.00 0.43 N ATOM 513 CA ASN A 61 0.783 -3.549 -8.912 1.00 0.42 C ATOM 514 C ASN A 61 -0.274 -2.654 -8.265 1.00 0.39 C ATOM 515 O ASN A 61 -1.331 -2.392 -8.849 1.00 0.42 O ATOM 516 CB ASN A 61 1.394 -2.855 -10.132 1.00 0.52 C ATOM 517 CG ASN A 61 2.393 -1.776 -9.763 1.00 0.58 C ATOM 518 OD1 ASN A 61 2.032 -0.621 -9.560 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.663 -2.146 -9.696 1.00 0.71 N ATOM 0 H ASN A 61 -0.276 -4.814 -10.202 1.00 0.43 H new ATOM 0 HA ASN A 61 1.559 -3.730 -8.168 1.00 0.42 H new ATOM 0 HB2 ASN A 61 1.887 -3.600 -10.757 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.596 -2.414 -10.730 1.00 0.52 H new ATOM 0 HD21 ASN A 61 4.383 -1.460 -9.469 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.921 -3.117 -9.872 1.00 0.71 H new ATOM 526 N PHE A 62 0.028 -2.197 -7.053 1.00 0.38 N ATOM 527 CA PHE A 62 -0.842 -1.288 -6.293 1.00 0.40 C ATOM 528 C PHE A 62 -0.987 0.069 -6.981 1.00 0.47 C ATOM 529 O PHE A 62 -1.791 0.901 -6.574 1.00 0.70 O ATOM 530 CB PHE A 62 -0.260 -1.074 -4.893 1.00 0.43 C ATOM 531 CG PHE A 62 -1.177 -0.363 -3.935 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.885 0.919 -3.503 1.00 0.51 C ATOM 533 CD2 PHE A 62 -2.337 -0.972 -3.482 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.729 1.581 -2.632 1.00 0.55 C ATOM 535 CE2 PHE A 62 -3.185 -0.316 -2.611 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.862 0.936 -2.149 1.00 0.53 C ATOM 0 H PHE A 62 0.887 -2.445 -6.563 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.828 -1.748 -6.234 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.003 -2.044 -4.471 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.665 -0.503 -4.982 1.00 0.43 H new ATOM 0 HD1 PHE A 62 0.013 1.408 -3.851 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.580 -1.971 -3.814 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.510 2.594 -2.328 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -4.103 -0.788 -2.293 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.487 1.419 -1.412 1.00 0.53 H new ATOM 546 N PHE A 63 -0.197 0.300 -8.007 1.00 0.46 N ATOM 547 CA PHE A 63 -0.206 1.579 -8.691 1.00 0.55 C ATOM 548 C PHE A 63 -0.516 1.389 -10.170 1.00 0.66 C ATOM 549 O PHE A 63 -0.229 2.258 -10.991 1.00 0.91 O ATOM 550 CB PHE A 63 1.150 2.274 -8.512 1.00 0.57 C ATOM 551 CG PHE A 63 1.591 2.375 -7.076 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.399 1.400 -6.511 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.197 3.449 -6.293 1.00 0.77 C ATOM 554 CE1 PHE A 63 2.805 1.496 -5.194 1.00 1.10 C ATOM 555 CE2 PHE A 63 1.601 3.550 -4.975 1.00 1.04 C ATOM 556 CZ PHE A 63 2.403 2.551 -4.422 1.00 1.16 C ATOM 0 H PHE A 63 0.461 -0.380 -8.388 1.00 0.46 H new ATOM 0 HA PHE A 63 -0.984 2.207 -8.257 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.906 1.729 -9.078 1.00 0.57 H new ATOM 0 HB3 PHE A 63 1.094 3.276 -8.937 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.714 0.556 -7.107 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.567 4.216 -6.718 1.00 0.77 H new ATOM 0 HE1 PHE A 63 3.443 0.734 -4.772 1.00 1.10 H new ATOM 0 HE2 PHE A 63 1.298 4.397 -4.377 1.00 1.04 H new ATOM 0 HZ PHE A 63 2.706 2.611 -3.387 1.00 1.16 H new ATOM 566 N LYS A 64 -1.122 0.254 -10.507 1.00 0.57 N ATOM 567 CA LYS A 64 -1.387 -0.082 -11.904 1.00 0.72 C ATOM 568 C LYS A 64 -2.626 -0.959 -12.051 1.00 0.72 C ATOM 569 O LYS A 64 -3.461 -0.725 -12.924 1.00 0.90 O ATOM 570 CB LYS A 64 -0.187 -0.809 -12.525 1.00 0.82 C ATOM 571 CG LYS A 64 1.008 0.088 -12.823 1.00 1.56 C ATOM 572 CD LYS A 64 0.679 1.126 -13.887 1.00 2.11 C ATOM 573 CE LYS A 64 1.859 2.048 -14.154 1.00 2.85 C ATOM 574 NZ LYS A 64 2.197 2.867 -12.963 1.00 3.58 N ATOM 0 H LYS A 64 -1.438 -0.446 -9.836 1.00 0.57 H new ATOM 0 HA LYS A 64 -1.561 0.859 -12.427 1.00 0.72 H new ATOM 0 HB2 LYS A 64 0.130 -1.603 -11.849 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -0.507 -1.287 -13.451 1.00 0.82 H new ATOM 0 HG2 LYS A 64 1.323 0.591 -11.909 1.00 1.56 H new ATOM 0 HG3 LYS A 64 1.847 -0.522 -13.157 1.00 1.56 H new ATOM 0 HD2 LYS A 64 0.393 0.623 -14.811 1.00 2.11 H new ATOM 0 HD3 LYS A 64 -0.180 1.716 -13.567 1.00 2.11 H new ATOM 0 HE2 LYS A 64 2.726 1.455 -14.445 1.00 2.85 H new ATOM 0 HE3 LYS A 64 1.626 2.704 -14.992 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 2.207 3.873 -13.225 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 1.486 2.710 -12.220 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 3.135 2.593 -12.608 1.00 3.58 H new ATOM 588 N ASP A 65 -2.743 -1.971 -11.205 1.00 0.60 N ATOM 589 CA ASP A 65 -3.788 -2.969 -11.370 1.00 0.69 C ATOM 590 C ASP A 65 -4.936 -2.731 -10.410 1.00 0.74 C ATOM 591 O ASP A 65 -5.963 -2.165 -10.780 1.00 1.10 O ATOM 592 CB ASP A 65 -3.234 -4.381 -11.162 1.00 0.79 C ATOM 593 CG ASP A 65 -2.136 -4.731 -12.140 1.00 1.38 C ATOM 594 OD1 ASP A 65 -2.441 -4.918 -13.334 1.00 1.50 O ATOM 595 OD2 ASP A 65 -0.963 -4.812 -11.722 1.00 2.20 O ATOM 0 H ASP A 65 -2.132 -2.122 -10.403 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.161 -2.878 -12.390 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.850 -4.469 -10.146 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -4.045 -5.102 -11.260 1.00 0.79 H new ATOM 600 N VAL A 66 -4.743 -3.139 -9.166 1.00 0.70 N ATOM 601 CA VAL A 66 -5.812 -3.127 -8.186 1.00 0.82 C ATOM 602 C VAL A 66 -5.977 -1.767 -7.518 1.00 0.70 C ATOM 603 O VAL A 66 -6.645 -1.645 -6.492 1.00 0.80 O ATOM 604 CB VAL A 66 -5.621 -4.039 -7.258 1.00 1.05 C ATOM 605 CG1 VAL A 66 -5.831 -5.437 -7.832 1.00 1.45 C ATOM 606 CG2 VAL A 66 -4.243 -3.922 -6.607 1.00 1.77 C ATOM 0 H VAL A 66 -3.851 -3.484 -8.812 1.00 0.70 H new ATOM 0 HA VAL A 66 -6.725 -3.352 -8.738 1.00 0.82 H new ATOM 0 HB VAL A 66 -6.359 -3.865 -6.475 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -5.669 -6.179 -7.050 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -6.849 -5.526 -8.211 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -5.125 -5.606 -8.645 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -4.132 -4.696 -5.848 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -3.470 -4.045 -7.366 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -4.142 -2.941 -6.143 1.00 1.77 H new ATOM 616 N ALA A 67 -5.374 -0.757 -8.120 1.00 0.56 N ATOM 617 CA ALA A 67 -5.442 0.608 -7.622 1.00 0.53 C ATOM 618 C ALA A 67 -4.804 1.558 -8.626 1.00 0.49 C ATOM 619 O ALA A 67 -3.586 1.673 -8.697 1.00 0.61 O ATOM 620 CB ALA A 67 -4.762 0.729 -6.266 1.00 0.60 C ATOM 0 H ALA A 67 -4.821 -0.860 -8.971 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.490 0.878 -7.495 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.827 1.760 -5.917 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.257 0.072 -5.551 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.714 0.443 -6.358 1.00 0.60 H new ATOM 626 N PRO A 68 -5.622 2.191 -9.468 1.00 0.44 N ATOM 627 CA PRO A 68 -5.160 3.150 -10.454 1.00 0.47 C ATOM 628 C PRO A 68 -5.348 4.609 -10.028 1.00 0.55 C ATOM 629 O PRO A 68 -5.358 5.504 -10.874 1.00 0.81 O ATOM 630 CB PRO A 68 -6.056 2.818 -11.642 1.00 0.56 C ATOM 631 CG PRO A 68 -7.336 2.306 -11.044 1.00 0.69 C ATOM 632 CD PRO A 68 -7.061 1.966 -9.596 1.00 0.47 C ATOM 0 HA PRO A 68 -4.089 3.073 -10.640 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.235 3.699 -12.258 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.595 2.068 -12.285 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -8.121 3.059 -11.118 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -7.686 1.426 -11.584 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.630 2.602 -8.918 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -7.329 0.935 -9.366 1.00 0.47 H new ATOM 640 N CYS A 69 -5.505 4.856 -8.731 1.00 0.51 N ATOM 641 CA CYS A 69 -5.577 6.230 -8.242 1.00 0.61 C ATOM 642 C CYS A 69 -4.326 6.558 -7.434 1.00 0.59 C ATOM 643 O CYS A 69 -4.180 7.670 -6.921 1.00 0.81 O ATOM 644 CB CYS A 69 -6.836 6.478 -7.397 1.00 0.85 C ATOM 645 SG CYS A 69 -6.783 5.804 -5.702 1.00 0.81 S ATOM 0 H CYS A 69 -5.584 4.138 -8.011 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.635 6.887 -9.110 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -7.008 7.553 -7.338 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.692 6.046 -7.915 1.00 0.85 H new ATOM 0 HG CYS A 69 -5.667 6.149 -5.132 1.00 0.81 H new ATOM 650 N THR A 70 -3.332 5.691 -7.566 1.00 0.61 N ATOM 651 CA THR A 70 -2.220 5.655 -6.635 1.00 0.58 C ATOM 652 C THR A 70 -0.923 6.088 -7.313 1.00 0.55 C ATOM 653 O THR A 70 -0.155 6.874 -6.764 1.00 0.64 O ATOM 654 CB THR A 70 -2.078 4.440 -6.159 1.00 0.63 C ATOM 655 OG1 THR A 70 -2.255 3.496 -7.225 1.00 1.33 O ATOM 656 CG2 THR A 70 -3.068 4.162 -5.043 1.00 1.07 C ATOM 0 H THR A 70 -3.276 5.000 -8.315 1.00 0.61 H new ATOM 0 HA THR A 70 -2.435 6.349 -5.822 1.00 0.58 H new ATOM 0 HB THR A 70 -1.076 4.344 -5.740 1.00 0.63 H new ATOM 0 HG1 THR A 70 -2.207 2.585 -6.867 1.00 1.33 H new ATOM 0 HG21 THR A 70 -2.923 3.147 -4.672 1.00 1.07 H new ATOM 0 HG22 THR A 70 -2.910 4.872 -4.231 1.00 1.07 H new ATOM 0 HG23 THR A 70 -4.084 4.267 -5.423 1.00 1.07 H new ATOM 664 N ASP A 71 -0.697 5.591 -8.523 1.00 0.55 N ATOM 665 CA ASP A 71 0.485 5.971 -9.298 1.00 0.63 C ATOM 666 C ASP A 71 0.432 7.445 -9.661 1.00 0.70 C ATOM 667 O ASP A 71 -0.332 7.845 -10.539 1.00 0.88 O ATOM 668 CB ASP A 71 0.580 5.138 -10.572 1.00 0.76 C ATOM 669 CG ASP A 71 1.715 5.571 -11.478 1.00 0.96 C ATOM 670 OD1 ASP A 71 1.492 5.727 -12.696 1.00 1.85 O ATOM 671 OD2 ASP A 71 2.830 5.800 -10.966 1.00 1.34 O ATOM 0 H ASP A 71 -1.313 4.926 -8.991 1.00 0.55 H new ATOM 0 HA ASP A 71 1.366 5.785 -8.683 1.00 0.63 H new ATOM 0 HB2 ASP A 71 0.715 4.090 -10.305 1.00 0.76 H new ATOM 0 HB3 ASP A 71 -0.361 5.210 -11.118 1.00 0.76 H new ATOM 676 N SER A 72 1.234 8.250 -8.979 1.00 0.66 N ATOM 677 CA SER A 72 1.223 9.681 -9.200 1.00 0.77 C ATOM 678 C SER A 72 2.396 10.316 -8.459 1.00 0.76 C ATOM 679 O SER A 72 2.833 9.788 -7.432 1.00 0.71 O ATOM 680 CB SER A 72 -0.120 10.257 -8.726 1.00 0.88 C ATOM 681 OG SER A 72 -0.320 11.591 -9.162 1.00 1.56 O ATOM 0 H SER A 72 1.897 7.934 -8.271 1.00 0.66 H new ATOM 0 HA SER A 72 1.333 9.902 -10.262 1.00 0.77 H new ATOM 0 HB2 SER A 72 -0.932 9.631 -9.097 1.00 0.88 H new ATOM 0 HB3 SER A 72 -0.163 10.223 -7.637 1.00 0.88 H new ATOM 0 HG SER A 72 -0.254 12.199 -8.396 1.00 1.56 H new ATOM 687 N PRO A 73 2.931 11.435 -8.991 1.00 0.90 N ATOM 688 CA PRO A 73 4.089 12.146 -8.431 1.00 0.99 C ATOM 689 C PRO A 73 4.120 12.228 -6.904 1.00 0.96 C ATOM 690 O PRO A 73 5.170 12.031 -6.293 1.00 1.05 O ATOM 691 CB PRO A 73 3.933 13.539 -9.025 1.00 1.13 C ATOM 692 CG PRO A 73 3.338 13.301 -10.367 1.00 1.17 C ATOM 693 CD PRO A 73 2.453 12.091 -10.228 1.00 1.05 C ATOM 0 HA PRO A 73 5.017 11.629 -8.673 1.00 0.99 H new ATOM 0 HB2 PRO A 73 3.287 14.164 -8.409 1.00 1.13 H new ATOM 0 HB3 PRO A 73 4.893 14.049 -9.100 1.00 1.13 H new ATOM 0 HG2 PRO A 73 2.764 14.167 -10.697 1.00 1.17 H new ATOM 0 HG3 PRO A 73 4.115 13.131 -11.112 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.403 12.372 -10.150 1.00 1.05 H new ATOM 0 HD3 PRO A 73 2.543 11.430 -11.090 1.00 1.05 H new ATOM 701 N GLU A 74 2.984 12.522 -6.285 1.00 0.91 N ATOM 702 CA GLU A 74 2.945 12.690 -4.840 1.00 0.96 C ATOM 703 C GLU A 74 2.598 11.385 -4.128 1.00 0.93 C ATOM 704 O GLU A 74 3.170 11.087 -3.087 1.00 1.25 O ATOM 705 CB GLU A 74 1.976 13.809 -4.414 1.00 1.07 C ATOM 706 CG GLU A 74 0.518 13.580 -4.790 1.00 0.90 C ATOM 707 CD GLU A 74 0.261 13.757 -6.272 1.00 1.59 C ATOM 708 OE1 GLU A 74 0.453 12.786 -7.027 1.00 2.56 O ATOM 709 OE2 GLU A 74 -0.123 14.869 -6.684 1.00 1.58 O ATOM 0 H GLU A 74 2.088 12.648 -6.755 1.00 0.91 H new ATOM 0 HA GLU A 74 3.950 12.985 -4.537 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.041 13.932 -3.333 1.00 1.07 H new ATOM 0 HB3 GLU A 74 2.308 14.746 -4.862 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.224 12.573 -4.492 1.00 0.90 H new ATOM 0 HG3 GLU A 74 -0.110 14.274 -4.231 1.00 0.90 H new ATOM 716 N PHE A 75 1.676 10.602 -4.676 1.00 0.80 N ATOM 717 CA PHE A 75 1.270 9.357 -4.022 1.00 0.79 C ATOM 718 C PHE A 75 2.387 8.316 -4.128 1.00 0.66 C ATOM 719 O PHE A 75 3.043 7.976 -3.134 1.00 0.66 O ATOM 720 CB PHE A 75 -0.013 8.791 -4.643 1.00 0.87 C ATOM 721 CG PHE A 75 -1.156 9.764 -4.744 1.00 1.53 C ATOM 722 CD1 PHE A 75 -1.745 10.044 -5.961 1.00 2.26 C ATOM 723 CD2 PHE A 75 -1.627 10.410 -3.613 1.00 1.74 C ATOM 724 CE1 PHE A 75 -2.787 10.950 -6.052 1.00 3.20 C ATOM 725 CE2 PHE A 75 -2.669 11.313 -3.695 1.00 2.61 C ATOM 726 CZ PHE A 75 -3.288 11.537 -4.944 1.00 3.36 C ATOM 0 H PHE A 75 1.200 10.799 -5.557 1.00 0.80 H new ATOM 0 HA PHE A 75 1.076 9.583 -2.974 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.218 8.421 -5.642 1.00 0.87 H new ATOM 0 HB3 PHE A 75 -0.337 7.934 -4.052 1.00 0.87 H new ATOM 0 HD1 PHE A 75 -1.388 9.550 -6.853 1.00 2.26 H new ATOM 0 HD2 PHE A 75 -1.174 10.205 -2.654 1.00 1.74 H new ATOM 0 HE1 PHE A 75 -3.204 11.190 -7.019 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -3.006 11.841 -2.815 1.00 2.61 H new ATOM 0 HZ PHE A 75 -4.157 12.174 -5.013 1.00 3.36 H new ATOM 736 N TYR A 76 2.613 7.836 -5.347 1.00 0.59 N ATOM 737 CA TYR A 76 3.649 6.846 -5.614 1.00 0.50 C ATOM 738 C TYR A 76 5.019 7.411 -5.263 1.00 0.47 C ATOM 739 O TYR A 76 5.905 6.685 -4.810 1.00 0.49 O ATOM 740 CB TYR A 76 3.609 6.417 -7.089 1.00 0.51 C ATOM 741 CG TYR A 76 4.640 5.373 -7.463 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.643 5.658 -8.378 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.617 4.105 -6.892 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.592 4.715 -8.719 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.564 3.153 -7.227 1.00 0.59 C ATOM 746 CZ TYR A 76 6.521 3.441 -8.159 1.00 0.65 C ATOM 747 OH TYR A 76 7.499 2.520 -8.483 1.00 0.79 O ATOM 0 H TYR A 76 2.086 8.121 -6.173 1.00 0.59 H new ATOM 0 HA TYR A 76 3.464 5.970 -4.993 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.616 6.028 -7.315 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.756 7.297 -7.715 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.682 6.637 -8.833 1.00 0.58 H new ATOM 0 HD2 TYR A 76 3.847 3.859 -6.175 1.00 0.51 H new ATOM 0 HE1 TYR A 76 7.382 4.962 -9.413 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.547 2.183 -6.752 1.00 0.59 H new ATOM 0 HH TYR A 76 7.321 1.676 -8.018 1.00 0.79 H new ATOM 757 N GLY A 77 5.168 8.717 -5.451 1.00 0.48 N ATOM 758 CA GLY A 77 6.419 9.381 -5.150 1.00 0.50 C ATOM 759 C GLY A 77 6.825 9.245 -3.693 1.00 0.52 C ATOM 760 O GLY A 77 8.011 9.190 -3.385 1.00 0.60 O ATOM 0 H GLY A 77 4.437 9.331 -5.810 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.205 8.967 -5.781 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.333 10.438 -5.401 1.00 0.50 H new ATOM 764 N LYS A 78 5.849 9.166 -2.795 1.00 0.53 N ATOM 765 CA LYS A 78 6.156 9.054 -1.365 1.00 0.60 C ATOM 766 C LYS A 78 6.567 7.635 -1.010 1.00 0.59 C ATOM 767 O LYS A 78 7.416 7.423 -0.145 1.00 0.66 O ATOM 768 CB LYS A 78 4.976 9.489 -0.497 1.00 0.69 C ATOM 769 CG LYS A 78 4.643 10.964 -0.619 1.00 0.77 C ATOM 770 CD LYS A 78 5.794 11.852 -0.178 1.00 1.17 C ATOM 771 CE LYS A 78 5.546 13.302 -0.561 1.00 1.41 C ATOM 772 NZ LYS A 78 4.261 13.821 -0.018 1.00 2.09 N ATOM 0 H LYS A 78 4.854 9.177 -3.021 1.00 0.53 H new ATOM 0 HA LYS A 78 6.990 9.726 -1.162 1.00 0.60 H new ATOM 0 HB2 LYS A 78 4.099 8.903 -0.771 1.00 0.69 H new ATOM 0 HB3 LYS A 78 5.199 9.260 0.545 1.00 0.69 H new ATOM 0 HG2 LYS A 78 4.386 11.192 -1.654 1.00 0.77 H new ATOM 0 HG3 LYS A 78 3.763 11.187 -0.016 1.00 0.77 H new ATOM 0 HD2 LYS A 78 5.923 11.775 0.902 1.00 1.17 H new ATOM 0 HD3 LYS A 78 6.721 11.505 -0.636 1.00 1.17 H new ATOM 0 HE2 LYS A 78 6.367 13.917 -0.194 1.00 1.41 H new ATOM 0 HE3 LYS A 78 5.541 13.392 -1.647 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 4.215 14.850 -0.159 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 3.467 13.368 -0.513 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 4.202 13.608 0.998 1.00 2.09 H new ATOM 786 N PHE A 79 5.967 6.664 -1.687 1.00 0.52 N ATOM 787 CA PHE A 79 6.338 5.263 -1.505 1.00 0.50 C ATOM 788 C PHE A 79 7.805 5.045 -1.896 1.00 0.51 C ATOM 789 O PHE A 79 8.477 4.153 -1.381 1.00 0.56 O ATOM 790 CB PHE A 79 5.413 4.364 -2.340 1.00 0.48 C ATOM 791 CG PHE A 79 5.757 2.900 -2.273 1.00 0.51 C ATOM 792 CD1 PHE A 79 5.248 2.109 -1.255 1.00 0.62 C ATOM 793 CD2 PHE A 79 6.580 2.310 -3.227 1.00 0.53 C ATOM 794 CE1 PHE A 79 5.547 0.764 -1.190 1.00 0.67 C ATOM 795 CE2 PHE A 79 6.881 0.966 -3.160 1.00 0.61 C ATOM 796 CZ PHE A 79 6.421 0.207 -2.155 1.00 0.65 C ATOM 0 H PHE A 79 5.222 6.819 -2.367 1.00 0.52 H new ATOM 0 HA PHE A 79 6.224 4.999 -0.454 1.00 0.50 H new ATOM 0 HB2 PHE A 79 4.386 4.501 -2.000 1.00 0.48 H new ATOM 0 HB3 PHE A 79 5.450 4.688 -3.380 1.00 0.48 H new ATOM 0 HD1 PHE A 79 4.610 2.551 -0.504 1.00 0.62 H new ATOM 0 HD2 PHE A 79 6.987 2.910 -4.027 1.00 0.53 H new ATOM 0 HE1 PHE A 79 5.121 0.145 -0.415 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.495 0.519 -3.927 1.00 0.61 H new ATOM 0 HZ PHE A 79 6.717 -0.829 -2.081 1.00 0.65 H new ATOM 806 N LYS A 80 8.302 5.894 -2.789 1.00 0.51 N ATOM 807 CA LYS A 80 9.648 5.748 -3.327 1.00 0.58 C ATOM 808 C LYS A 80 10.672 6.558 -2.536 1.00 0.63 C ATOM 809 O LYS A 80 11.872 6.437 -2.776 1.00 0.66 O ATOM 810 CB LYS A 80 9.677 6.188 -4.793 1.00 0.64 C ATOM 811 CG LYS A 80 8.659 5.474 -5.662 1.00 0.69 C ATOM 812 CD LYS A 80 8.931 3.982 -5.737 1.00 0.72 C ATOM 813 CE LYS A 80 10.141 3.677 -6.609 1.00 0.93 C ATOM 814 NZ LYS A 80 10.016 2.363 -7.289 1.00 1.09 N ATOM 0 H LYS A 80 7.789 6.695 -3.157 1.00 0.51 H new ATOM 0 HA LYS A 80 9.917 4.695 -3.247 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.497 7.262 -4.845 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.674 6.012 -5.197 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.659 5.642 -5.263 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.677 5.898 -6.666 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.097 3.591 -4.733 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.055 3.471 -6.137 1.00 0.72 H new ATOM 0 HE2 LYS A 80 10.258 4.463 -7.356 1.00 0.93 H new ATOM 0 HE3 LYS A 80 11.042 3.684 -5.995 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 10.852 2.200 -7.886 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 9.947 1.609 -6.576 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 9.161 2.359 -7.881 1.00 1.09 H new ATOM 828 N GLU A 81 10.203 7.363 -1.590 1.00 0.67 N ATOM 829 CA GLU A 81 11.084 8.270 -0.854 1.00 0.78 C ATOM 830 C GLU A 81 12.208 7.528 -0.135 1.00 0.67 C ATOM 831 O GLU A 81 13.356 7.971 -0.155 1.00 0.70 O ATOM 832 CB GLU A 81 10.287 9.119 0.133 1.00 0.94 C ATOM 833 CG GLU A 81 9.500 10.234 -0.538 1.00 1.25 C ATOM 834 CD GLU A 81 10.399 11.288 -1.162 1.00 1.57 C ATOM 835 OE1 GLU A 81 10.986 11.028 -2.235 1.00 2.07 O ATOM 836 OE2 GLU A 81 10.528 12.383 -0.576 1.00 2.04 O ATOM 0 H GLU A 81 9.222 7.408 -1.313 1.00 0.67 H new ATOM 0 HA GLU A 81 11.548 8.928 -1.589 1.00 0.78 H new ATOM 0 HB2 GLU A 81 9.599 8.477 0.682 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.970 9.553 0.863 1.00 0.94 H new ATOM 0 HG2 GLU A 81 8.857 9.808 -1.308 1.00 1.25 H new ATOM 0 HG3 GLU A 81 8.848 10.706 0.196 1.00 1.25 H new ATOM 843 N GLY A 82 11.892 6.399 0.490 1.00 0.62 N ATOM 844 CA GLY A 82 12.923 5.615 1.131 1.00 0.62 C ATOM 845 C GLY A 82 13.733 4.843 0.117 1.00 0.62 C ATOM 846 O GLY A 82 14.956 4.757 0.218 1.00 0.72 O ATOM 0 H GLY A 82 10.949 6.018 0.562 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.580 6.271 1.702 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.469 4.923 1.840 1.00 0.62 H new ATOM 850 N VAL A 83 13.029 4.290 -0.863 1.00 0.58 N ATOM 851 CA VAL A 83 13.639 3.537 -1.959 1.00 0.66 C ATOM 852 C VAL A 83 14.784 4.324 -2.598 1.00 0.73 C ATOM 853 O VAL A 83 15.888 3.802 -2.760 1.00 0.85 O ATOM 854 CB VAL A 83 12.743 3.264 -2.899 1.00 0.68 C ATOM 855 CG1 VAL A 83 13.318 2.300 -3.934 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.456 2.713 -2.306 1.00 0.65 C ATOM 0 H VAL A 83 12.013 4.350 -0.923 1.00 0.58 H new ATOM 0 HA VAL A 83 14.025 2.610 -1.535 1.00 0.66 H new ATOM 0 HB VAL A 83 12.499 4.201 -3.399 1.00 0.68 H new ATOM 0 HG11 VAL A 83 12.565 2.091 -4.694 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.193 2.750 -4.403 1.00 0.83 H new ATOM 0 HG13 VAL A 83 13.607 1.370 -3.444 1.00 0.83 H new ATOM 0 HG21 VAL A 83 10.748 2.502 -3.107 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.671 1.794 -1.760 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.026 3.447 -1.625 1.00 0.65 H new ATOM 866 N ALA A 84 14.515 5.594 -2.901 1.00 0.70 N ATOM 867 CA ALA A 84 15.478 6.472 -3.570 1.00 0.81 C ATOM 868 C ALA A 84 16.825 6.520 -2.849 1.00 0.92 C ATOM 869 O ALA A 84 17.870 6.676 -3.482 1.00 1.14 O ATOM 870 CB ALA A 84 14.898 7.874 -3.688 1.00 0.85 C ATOM 0 H ALA A 84 13.624 6.044 -2.690 1.00 0.70 H new ATOM 0 HA ALA A 84 15.661 6.060 -4.562 1.00 0.81 H new ATOM 0 HB1 ALA A 84 15.617 8.524 -4.186 1.00 0.85 H new ATOM 0 HB2 ALA A 84 13.977 7.839 -4.270 1.00 0.85 H new ATOM 0 HB3 ALA A 84 14.684 8.264 -2.693 1.00 0.85 H new ATOM 876 N SER A 85 16.804 6.392 -1.533 1.00 0.92 N ATOM 877 CA SER A 85 18.034 6.403 -0.761 1.00 1.12 C ATOM 878 C SER A 85 18.578 4.984 -0.616 1.00 1.16 C ATOM 879 O SER A 85 19.631 4.653 -1.161 1.00 1.40 O ATOM 880 CB SER A 85 17.799 7.033 0.608 1.00 1.38 C ATOM 881 OG SER A 85 19.022 7.281 1.286 1.00 1.82 O ATOM 0 H SER A 85 15.954 6.280 -0.980 1.00 0.92 H new ATOM 0 HA SER A 85 18.774 7.004 -1.290 1.00 1.12 H new ATOM 0 HB2 SER A 85 17.252 7.968 0.490 1.00 1.38 H new ATOM 0 HB3 SER A 85 17.175 6.373 1.211 1.00 1.38 H new ATOM 0 HG SER A 85 18.836 7.686 2.159 1.00 1.82 H new ATOM 887 N GLY A 86 17.850 4.147 0.108 1.00 1.12 N ATOM 888 CA GLY A 86 18.282 2.779 0.316 1.00 1.47 C ATOM 889 C GLY A 86 17.169 1.914 0.861 1.00 1.35 C ATOM 890 O GLY A 86 17.418 1.000 1.655 1.00 1.65 O ATOM 0 H GLY A 86 16.967 4.390 0.556 1.00 1.12 H new ATOM 0 HA2 GLY A 86 18.637 2.363 -0.627 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.124 2.765 1.008 1.00 1.47 H new ATOM 894 N ASN A 87 15.942 2.207 0.422 1.00 1.30 N ATOM 895 CA ASN A 87 14.737 1.523 0.904 1.00 1.28 C ATOM 896 C ASN A 87 14.527 1.852 2.378 1.00 0.81 C ATOM 897 O ASN A 87 15.230 1.329 3.244 1.00 1.19 O ATOM 898 CB ASN A 87 14.823 0.000 0.703 1.00 1.94 C ATOM 899 CG ASN A 87 14.885 -0.439 -0.755 1.00 2.79 C ATOM 900 OD1 ASN A 87 14.365 -1.496 -1.113 1.00 3.50 O ATOM 901 ND2 ASN A 87 15.530 0.344 -1.603 1.00 3.16 N ATOM 0 H ASN A 87 15.755 2.925 -0.278 1.00 1.30 H new ATOM 0 HA ASN A 87 13.887 1.877 0.321 1.00 1.28 H new ATOM 0 HB2 ASN A 87 15.707 -0.373 1.220 1.00 1.94 H new ATOM 0 HB3 ASN A 87 13.957 -0.466 1.174 1.00 1.94 H new ATOM 0 HD21 ASN A 87 15.607 0.078 -2.585 1.00 3.16 H new ATOM 0 HD22 ASN A 87 15.950 1.214 -1.275 1.00 3.16 H new ATOM 908 N LEU A 88 13.554 2.704 2.680 1.00 0.61 N ATOM 909 CA LEU A 88 13.488 3.293 4.000 1.00 0.75 C ATOM 910 C LEU A 88 12.053 3.456 4.473 1.00 0.56 C ATOM 911 O LEU A 88 11.121 3.480 3.671 1.00 1.00 O ATOM 912 CB LEU A 88 14.220 4.642 4.015 1.00 1.61 C ATOM 913 CG LEU A 88 14.409 5.281 5.391 1.00 2.22 C ATOM 914 CD1 LEU A 88 15.278 4.400 6.275 1.00 2.96 C ATOM 915 CD2 LEU A 88 15.022 6.666 5.250 1.00 2.90 C ATOM 0 H LEU A 88 12.816 2.994 2.039 1.00 0.61 H new ATOM 0 HA LEU A 88 13.983 2.613 4.694 1.00 0.75 H new ATOM 0 HB2 LEU A 88 15.201 4.507 3.560 1.00 1.61 H new ATOM 0 HB3 LEU A 88 13.670 5.340 3.384 1.00 1.61 H new ATOM 0 HG LEU A 88 13.432 5.381 5.864 1.00 2.22 H new ATOM 0 HD11 LEU A 88 15.401 4.872 7.250 1.00 2.96 H new ATOM 0 HD12 LEU A 88 14.802 3.427 6.400 1.00 2.96 H new ATOM 0 HD13 LEU A 88 16.255 4.269 5.810 1.00 2.96 H new ATOM 0 HD21 LEU A 88 15.151 7.109 6.237 1.00 2.90 H new ATOM 0 HD22 LEU A 88 15.992 6.586 4.759 1.00 2.90 H new ATOM 0 HD23 LEU A 88 14.363 7.296 4.653 1.00 2.90 H new ATOM 927 N ASN A 89 11.905 3.574 5.783 1.00 0.54 N ATOM 928 CA ASN A 89 10.607 3.676 6.430 1.00 0.47 C ATOM 929 C ASN A 89 10.079 5.096 6.380 1.00 0.59 C ATOM 930 O ASN A 89 10.630 6.006 7.003 1.00 0.97 O ATOM 931 CB ASN A 89 10.734 3.179 7.869 1.00 0.50 C ATOM 932 CG ASN A 89 9.509 3.429 8.735 1.00 1.31 C ATOM 933 OD1 ASN A 89 8.380 3.481 8.256 1.00 2.24 O ATOM 934 ND2 ASN A 89 9.729 3.564 10.035 1.00 1.82 N ATOM 0 H ASN A 89 12.690 3.602 6.433 1.00 0.54 H new ATOM 0 HA ASN A 89 9.887 3.055 5.898 1.00 0.47 H new ATOM 0 HB2 ASN A 89 10.939 2.109 7.853 1.00 0.50 H new ATOM 0 HB3 ASN A 89 11.595 3.662 8.332 1.00 0.50 H new ATOM 0 HD21 ASN A 89 8.947 3.716 10.672 1.00 1.82 H new ATOM 0 HD22 ASN A 89 10.681 3.515 10.399 1.00 1.82 H new ATOM 941 N THR A 90 9.006 5.267 5.628 1.00 0.51 N ATOM 942 CA THR A 90 8.396 6.564 5.437 1.00 0.61 C ATOM 943 C THR A 90 6.913 6.510 5.813 1.00 0.53 C ATOM 944 O THR A 90 6.273 5.462 5.700 1.00 0.51 O ATOM 945 CB THR A 90 8.529 6.959 4.179 1.00 0.75 C ATOM 946 OG1 THR A 90 9.878 6.717 3.741 1.00 1.63 O ATOM 947 CG2 THR A 90 8.203 8.436 4.002 1.00 1.39 C ATOM 0 H THR A 90 8.536 4.509 5.134 1.00 0.51 H new ATOM 0 HA THR A 90 8.901 7.281 6.084 1.00 0.61 H new ATOM 0 HB THR A 90 7.821 6.387 3.579 1.00 0.75 H new ATOM 0 HG1 THR A 90 9.977 7.007 2.810 1.00 1.63 H new ATOM 0 HG21 THR A 90 8.326 8.713 2.955 1.00 1.39 H new ATOM 0 HG22 THR A 90 7.173 8.620 4.307 1.00 1.39 H new ATOM 0 HG23 THR A 90 8.876 9.033 4.617 1.00 1.39 H new ATOM 955 N MET A 91 6.396 7.605 6.346 1.00 0.55 N ATOM 956 CA MET A 91 4.978 7.705 6.656 1.00 0.51 C ATOM 957 C MET A 91 4.332 8.803 5.819 1.00 0.57 C ATOM 958 O MET A 91 4.833 9.926 5.756 1.00 0.75 O ATOM 959 CB MET A 91 4.746 7.981 8.150 1.00 0.60 C ATOM 960 CG MET A 91 5.299 9.316 8.634 1.00 1.14 C ATOM 961 SD MET A 91 4.795 9.723 10.319 1.00 1.61 S ATOM 962 CE MET A 91 5.565 8.393 11.238 1.00 1.77 C ATOM 0 H MET A 91 6.938 8.439 6.574 1.00 0.55 H new ATOM 0 HA MET A 91 4.517 6.747 6.414 1.00 0.51 H new ATOM 0 HB2 MET A 91 3.675 7.950 8.351 1.00 0.60 H new ATOM 0 HB3 MET A 91 5.203 7.180 8.731 1.00 0.60 H new ATOM 0 HG2 MET A 91 6.388 9.291 8.583 1.00 1.14 H new ATOM 0 HG3 MET A 91 4.966 10.106 7.961 1.00 1.14 H new ATOM 0 HE1 MET A 91 5.543 8.626 12.303 1.00 1.77 H new ATOM 0 HE2 MET A 91 5.022 7.465 11.059 1.00 1.77 H new ATOM 0 HE3 MET A 91 6.599 8.277 10.913 1.00 1.77 H new ATOM 972 N PHE A 92 3.236 8.475 5.163 1.00 0.49 N ATOM 973 CA PHE A 92 2.501 9.462 4.389 1.00 0.55 C ATOM 974 C PHE A 92 1.000 9.249 4.520 1.00 0.48 C ATOM 975 O PHE A 92 0.535 8.123 4.692 1.00 0.47 O ATOM 976 CB PHE A 92 2.937 9.448 2.916 1.00 0.72 C ATOM 977 CG PHE A 92 3.078 8.076 2.307 1.00 1.04 C ATOM 978 CD1 PHE A 92 2.016 7.477 1.648 1.00 1.25 C ATOM 979 CD2 PHE A 92 4.285 7.396 2.380 1.00 1.83 C ATOM 980 CE1 PHE A 92 2.154 6.228 1.074 1.00 2.19 C ATOM 981 CE2 PHE A 92 4.427 6.146 1.813 1.00 2.86 C ATOM 982 CZ PHE A 92 3.360 5.562 1.157 1.00 3.01 C ATOM 0 H PHE A 92 2.834 7.537 5.149 1.00 0.49 H new ATOM 0 HA PHE A 92 2.735 10.447 4.794 1.00 0.55 H new ATOM 0 HB2 PHE A 92 2.212 10.015 2.333 1.00 0.72 H new ATOM 0 HB3 PHE A 92 3.892 9.967 2.830 1.00 0.72 H new ATOM 0 HD1 PHE A 92 1.069 7.993 1.582 1.00 1.25 H new ATOM 0 HD2 PHE A 92 5.124 7.850 2.887 1.00 1.83 H new ATOM 0 HE1 PHE A 92 1.319 5.773 0.561 1.00 2.19 H new ATOM 0 HE2 PHE A 92 5.370 5.625 1.882 1.00 2.86 H new ATOM 0 HZ PHE A 92 3.470 4.585 0.710 1.00 3.01 H new ATOM 992 N GLU A 93 0.256 10.343 4.458 1.00 0.48 N ATOM 993 CA GLU A 93 -1.189 10.310 4.611 1.00 0.47 C ATOM 994 C GLU A 93 -1.859 10.663 3.289 1.00 0.45 C ATOM 995 O GLU A 93 -1.696 11.774 2.774 1.00 0.53 O ATOM 996 CB GLU A 93 -1.627 11.291 5.703 1.00 0.58 C ATOM 997 CG GLU A 93 -3.104 11.201 6.055 1.00 1.30 C ATOM 998 CD GLU A 93 -3.524 12.247 7.065 1.00 1.73 C ATOM 999 OE1 GLU A 93 -4.318 13.139 6.705 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -3.060 12.188 8.226 1.00 2.04 O ATOM 0 H GLU A 93 0.637 11.276 4.301 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.491 9.304 4.903 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.037 11.107 6.601 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -1.402 12.307 5.377 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -3.698 11.317 5.148 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -3.320 10.209 6.453 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.599 9.714 2.740 1.00 0.44 N ATOM 1008 CA TYR A 94 -3.249 9.891 1.450 1.00 0.51 C ATOM 1009 C TYR A 94 -4.620 9.242 1.441 1.00 0.42 C ATOM 1010 O TYR A 94 -4.968 8.486 2.350 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.396 9.319 0.315 1.00 0.69 C ATOM 1012 CG TYR A 94 -1.214 10.187 -0.061 1.00 1.24 C ATOM 1013 CD1 TYR A 94 0.085 9.720 0.074 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -1.402 11.471 -0.556 1.00 1.19 C ATOM 1015 CE1 TYR A 94 1.163 10.509 -0.275 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -0.327 12.266 -0.907 1.00 1.83 C ATOM 1017 CZ TYR A 94 0.952 11.779 -0.766 1.00 2.64 C ATOM 1018 OH TYR A 94 2.027 12.562 -1.118 1.00 3.37 O ATOM 0 H TYR A 94 -2.766 8.805 3.171 1.00 0.44 H new ATOM 0 HA TYR A 94 -3.365 10.963 1.289 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -2.032 8.334 0.608 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -3.025 9.178 -0.564 1.00 0.69 H new ATOM 0 HD1 TYR A 94 0.256 8.725 0.458 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -2.405 11.855 -0.669 1.00 1.19 H new ATOM 0 HE1 TYR A 94 2.169 10.132 -0.163 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -0.490 13.263 -1.289 1.00 1.83 H new ATOM 0 HH TYR A 94 2.574 12.089 -1.779 1.00 3.37 H new ATOM 1028 N THR A 95 -5.399 9.547 0.415 1.00 0.46 N ATOM 1029 CA THR A 95 -6.749 9.038 0.310 1.00 0.46 C ATOM 1030 C THR A 95 -6.841 7.891 -0.687 1.00 0.47 C ATOM 1031 O THR A 95 -5.978 7.737 -1.551 1.00 0.60 O ATOM 1032 CB THR A 95 -7.585 9.987 -0.069 1.00 0.59 C ATOM 1033 OG1 THR A 95 -7.091 10.617 -1.268 1.00 1.40 O ATOM 1034 CG2 THR A 95 -7.778 11.029 1.020 1.00 1.09 C ATOM 0 H THR A 95 -5.114 10.148 -0.358 1.00 0.46 H new ATOM 0 HA THR A 95 -7.022 8.676 1.301 1.00 0.46 H new ATOM 0 HB THR A 95 -8.553 9.526 -0.265 1.00 0.59 H new ATOM 0 HG1 THR A 95 -7.714 11.320 -1.549 1.00 1.40 H new ATOM 0 HG21 THR A 95 -8.472 11.794 0.673 1.00 1.09 H new ATOM 0 HG22 THR A 95 -8.181 10.552 1.913 1.00 1.09 H new ATOM 0 HG23 THR A 95 -6.819 11.490 1.257 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.863 7.066 -0.518 1.00 0.43 N ATOM 1043 CA PHE A 96 -8.180 6.012 -1.469 1.00 0.53 C ATOM 1044 C PHE A 96 -9.543 6.285 -2.081 1.00 0.62 C ATOM 1045 O PHE A 96 -10.572 6.194 -1.405 1.00 0.78 O ATOM 1046 CB PHE A 96 -8.171 4.634 -0.795 1.00 0.69 C ATOM 1047 CG PHE A 96 -6.810 4.183 -0.342 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -5.695 4.390 -1.138 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -6.651 3.534 0.872 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -4.446 3.963 -0.729 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -5.405 3.105 1.286 1.00 1.18 C ATOM 1052 CZ PHE A 96 -4.301 3.320 0.484 1.00 1.03 C ATOM 0 H PHE A 96 -8.495 7.108 0.281 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.419 6.005 -2.249 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -8.840 4.658 0.066 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -8.573 3.898 -1.491 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -5.803 4.891 -2.089 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -7.511 3.362 1.502 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.584 4.132 -1.358 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -5.294 2.602 2.235 1.00 1.18 H new ATOM 0 HZ PHE A 96 -3.326 2.986 0.805 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.543 6.662 -3.347 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.769 7.005 -4.045 1.00 0.88 C ATOM 1064 C ASP A 97 -10.953 6.104 -5.262 1.00 0.95 C ATOM 1065 O ASP A 97 -10.472 4.967 -5.268 1.00 1.74 O ATOM 1066 CB ASP A 97 -10.749 8.487 -4.446 1.00 1.17 C ATOM 1067 CG ASP A 97 -9.603 8.845 -5.375 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -9.841 8.954 -6.593 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -8.471 9.048 -4.886 1.00 2.57 O ATOM 0 H ASP A 97 -8.700 6.739 -3.917 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.617 6.846 -3.379 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -11.692 8.737 -4.932 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -10.682 9.098 -3.546 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.675 6.603 -6.266 1.00 1.21 N ATOM 1075 CA TYR A 98 -11.943 5.861 -7.501 1.00 1.30 C ATOM 1076 C TYR A 98 -12.927 4.714 -7.263 1.00 1.26 C ATOM 1077 O TYR A 98 -14.091 4.797 -7.653 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.639 5.341 -8.130 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.852 4.424 -9.313 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.554 3.071 -9.229 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -11.353 4.914 -10.515 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.746 2.231 -10.308 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -11.548 4.080 -11.598 1.00 2.79 C ATOM 1084 CZ TYR A 98 -11.243 2.737 -11.488 1.00 2.67 C ATOM 1085 OH TYR A 98 -11.436 1.906 -12.565 1.00 3.21 O ATOM 0 H TYR A 98 -12.091 7.534 -6.247 1.00 1.21 H new ATOM 0 HA TYR A 98 -12.405 6.554 -8.204 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -10.035 6.192 -8.446 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -10.067 4.810 -7.369 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -10.166 2.669 -8.305 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -11.593 5.963 -10.602 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.507 1.181 -10.227 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -11.936 4.475 -12.525 1.00 2.79 H new ATOM 0 HH TYR A 98 -11.793 2.423 -13.317 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.462 3.652 -6.621 1.00 1.11 N ATOM 1096 CA GLN A 99 -13.303 2.493 -6.358 1.00 1.70 C ATOM 1097 C GLN A 99 -13.820 2.545 -4.928 1.00 1.80 C ATOM 1098 O GLN A 99 -14.872 1.993 -4.605 1.00 2.28 O ATOM 1099 CB GLN A 99 -12.522 1.200 -6.600 1.00 2.11 C ATOM 1100 CG GLN A 99 -11.344 1.008 -5.658 1.00 2.28 C ATOM 1101 CD GLN A 99 -10.508 -0.204 -6.010 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -10.775 -1.315 -5.554 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -9.482 0.005 -6.819 1.00 2.81 N ATOM 0 H GLN A 99 -11.507 3.569 -6.273 1.00 1.11 H new ATOM 0 HA GLN A 99 -14.153 2.510 -7.040 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -13.200 0.353 -6.496 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -12.158 1.193 -7.627 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -10.715 1.898 -5.683 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -11.713 0.906 -4.637 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -9.296 0.943 -7.175 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -8.877 -0.772 -7.087 1.00 2.81 H new ATOM 1112 N MET A 100 -13.059 3.214 -4.079 1.00 1.50 N ATOM 1113 CA MET A 100 -13.450 3.429 -2.699 1.00 1.55 C ATOM 1114 C MET A 100 -13.942 4.855 -2.528 1.00 1.40 C ATOM 1115 O MET A 100 -13.405 5.777 -3.143 1.00 1.30 O ATOM 1116 CB MET A 100 -12.265 3.158 -1.765 1.00 1.54 C ATOM 1117 CG MET A 100 -12.592 3.330 -0.291 1.00 1.64 C ATOM 1118 SD MET A 100 -13.909 2.226 0.261 1.00 2.37 S ATOM 1119 CE MET A 100 -14.072 2.732 1.974 1.00 2.85 C ATOM 0 H MET A 100 -12.157 3.621 -4.326 1.00 1.50 H new ATOM 0 HA MET A 100 -14.255 2.741 -2.442 1.00 1.55 H new ATOM 0 HB2 MET A 100 -11.908 2.142 -1.932 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.447 3.830 -2.027 1.00 1.54 H new ATOM 0 HG2 MET A 100 -11.695 3.144 0.300 1.00 1.64 H new ATOM 0 HG3 MET A 100 -12.887 4.363 -0.106 1.00 1.64 H new ATOM 0 HE1 MET A 100 -14.850 2.140 2.456 1.00 2.85 H new ATOM 0 HE2 MET A 100 -13.125 2.576 2.491 1.00 2.85 H new ATOM 0 HE3 MET A 100 -14.340 3.788 2.018 1.00 2.85 H new ATOM 1129 N THR A 101 -14.990 5.033 -1.738 1.00 1.46 N ATOM 1130 CA THR A 101 -15.441 6.364 -1.383 1.00 1.40 C ATOM 1131 C THR A 101 -14.313 7.085 -0.661 1.00 1.14 C ATOM 1132 O THR A 101 -13.878 6.628 0.398 1.00 1.13 O ATOM 1133 CB THR A 101 -16.506 6.311 -0.611 1.00 1.54 C ATOM 1134 OG1 THR A 101 -17.453 5.390 -1.173 1.00 2.12 O ATOM 1135 CG2 THR A 101 -17.154 7.678 -0.458 1.00 2.05 C ATOM 0 H THR A 101 -15.540 4.275 -1.334 1.00 1.46 H new ATOM 0 HA THR A 101 -15.712 6.903 -2.291 1.00 1.40 H new ATOM 0 HB THR A 101 -16.194 5.975 0.378 1.00 1.54 H new ATOM 0 HG1 THR A 101 -18.247 5.347 -0.600 1.00 2.12 H new ATOM 0 HG21 THR A 101 -18.030 7.596 0.186 1.00 2.05 H new ATOM 0 HG22 THR A 101 -16.440 8.371 -0.013 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.457 8.049 -1.437 1.00 2.05 H new ATOM 1143 N PRO A 102 -13.820 8.200 -1.245 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.610 8.896 -0.797 1.00 1.00 C ATOM 1145 C PRO A 102 -12.438 8.941 0.715 1.00 0.92 C ATOM 1146 O PRO A 102 -12.985 9.809 1.395 1.00 1.15 O ATOM 1147 CB PRO A 102 -12.798 10.300 -1.360 1.00 1.32 C ATOM 1148 CG PRO A 102 -13.543 10.085 -2.631 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.427 8.882 -2.409 1.00 1.44 C ATOM 0 HA PRO A 102 -11.711 8.384 -1.139 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.358 10.934 -0.672 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -11.841 10.790 -1.537 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -14.138 10.962 -2.886 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -12.856 9.914 -3.460 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.457 9.176 -2.207 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -14.447 8.234 -3.285 1.00 1.44 H new ATOM 1157 N THR A 103 -11.715 7.965 1.235 1.00 0.73 N ATOM 1158 CA THR A 103 -11.320 7.959 2.629 1.00 0.70 C ATOM 1159 C THR A 103 -9.816 8.110 2.732 1.00 0.58 C ATOM 1160 O THR A 103 -9.109 7.892 1.748 1.00 0.54 O ATOM 1161 CB THR A 103 -11.698 6.852 3.237 1.00 0.81 C ATOM 1162 OG1 THR A 103 -11.909 5.812 2.265 1.00 1.34 O ATOM 1163 CG2 THR A 103 -12.960 7.071 4.052 1.00 1.40 C ATOM 0 H THR A 103 -11.387 7.158 0.704 1.00 0.73 H new ATOM 0 HA THR A 103 -11.813 8.797 3.122 1.00 0.70 H new ATOM 0 HB THR A 103 -10.906 6.553 3.924 1.00 0.81 H new ATOM 0 HG1 THR A 103 -12.188 4.990 2.720 1.00 1.34 H new ATOM 0 HG21 THR A 103 -13.244 6.139 4.540 1.00 1.40 H new ATOM 0 HG22 THR A 103 -12.777 7.835 4.807 1.00 1.40 H new ATOM 0 HG23 THR A 103 -13.766 7.397 3.394 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.314 8.516 3.886 1.00 0.60 N ATOM 1172 CA LYS A 104 -7.883 8.716 4.033 1.00 0.59 C ATOM 1173 C LYS A 104 -7.287 7.748 5.036 1.00 0.58 C ATOM 1174 O LYS A 104 -7.930 7.359 6.014 1.00 0.75 O ATOM 1175 CB LYS A 104 -7.543 10.154 4.433 1.00 0.75 C ATOM 1176 CG LYS A 104 -8.255 10.656 5.679 1.00 1.45 C ATOM 1177 CD LYS A 104 -7.571 11.893 6.243 1.00 1.90 C ATOM 1178 CE LYS A 104 -7.365 12.957 5.175 1.00 2.46 C ATOM 1179 NZ LYS A 104 -6.556 14.098 5.673 1.00 3.08 N ATOM 0 H LYS A 104 -9.865 8.711 4.722 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.443 8.522 3.055 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -6.467 10.227 4.593 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -7.787 10.815 3.601 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -9.293 10.888 5.439 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -8.271 9.870 6.434 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -8.172 12.303 7.055 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -6.608 11.614 6.669 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -6.871 12.512 4.311 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -8.334 13.321 4.835 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -6.595 14.877 4.986 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -6.937 14.421 6.585 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -5.569 13.795 5.797 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.056 7.356 4.769 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.319 6.466 5.641 1.00 0.47 C ATOM 1195 C VAL A 105 -3.936 7.030 5.923 1.00 0.40 C ATOM 1196 O VAL A 105 -3.495 7.974 5.260 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.185 5.252 5.121 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -6.529 4.534 5.046 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -4.529 5.314 3.748 1.00 0.94 C ATOM 0 H VAL A 105 -5.539 7.647 3.939 1.00 0.45 H new ATOM 0 HA VAL A 105 -5.892 6.385 6.565 1.00 0.47 H new ATOM 0 HB VAL A 105 -4.534 4.679 5.781 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -6.388 3.542 4.616 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -6.947 4.439 6.048 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.213 5.107 4.420 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -4.432 4.306 3.345 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.144 5.914 3.078 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -3.541 5.766 3.837 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.271 6.482 6.922 1.00 0.43 N ATOM 1210 CA LYS A 106 -1.899 6.842 7.196 1.00 0.42 C ATOM 1211 C LYS A 106 -1.018 5.641 6.908 1.00 0.40 C ATOM 1212 O LYS A 106 -1.162 4.585 7.529 1.00 0.47 O ATOM 1213 CB LYS A 106 -1.728 7.319 8.637 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.439 8.087 8.860 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.467 8.836 10.177 1.00 0.83 C ATOM 1216 CE LYS A 106 0.682 9.824 10.277 1.00 1.56 C ATOM 1217 NZ LYS A 106 0.553 10.698 11.471 1.00 1.69 N ATOM 0 H LYS A 106 -3.662 5.785 7.556 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.606 7.672 6.553 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.573 7.953 8.906 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -1.751 6.457 9.304 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.405 7.397 8.849 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.286 8.791 8.042 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -1.414 9.366 10.276 1.00 0.83 H new ATOM 0 HD3 LYS A 106 -0.411 8.126 11.002 1.00 0.83 H new ATOM 0 HE2 LYS A 106 1.626 9.281 10.324 1.00 1.56 H new ATOM 0 HE3 LYS A 106 0.712 10.439 9.378 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 1.355 11.359 11.506 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 -0.336 11.235 11.414 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 0.549 10.113 12.331 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.124 5.808 5.955 1.00 0.37 N ATOM 1232 CA VAL A 107 0.634 4.713 5.411 1.00 0.42 C ATOM 1233 C VAL A 107 2.058 4.757 5.940 1.00 0.40 C ATOM 1234 O VAL A 107 2.867 5.584 5.515 1.00 0.54 O ATOM 1235 CB VAL A 107 0.642 4.790 4.087 1.00 0.46 C ATOM 1236 CG1 VAL A 107 1.462 3.668 3.470 1.00 1.26 C ATOM 1237 CG2 VAL A 107 -0.774 4.777 3.526 1.00 1.27 C ATOM 0 H VAL A 107 0.094 6.713 5.538 1.00 0.37 H new ATOM 0 HA VAL A 107 0.173 3.773 5.713 1.00 0.42 H new ATOM 0 HB VAL A 107 1.109 5.739 3.823 1.00 0.46 H new ATOM 0 HG11 VAL A 107 1.447 3.761 2.384 1.00 1.26 H new ATOM 0 HG12 VAL A 107 2.490 3.731 3.826 1.00 1.26 H new ATOM 0 HG13 VAL A 107 1.037 2.706 3.757 1.00 1.26 H new ATOM 0 HG21 VAL A 107 -0.735 4.841 2.439 1.00 1.27 H new ATOM 0 HG22 VAL A 107 -1.272 3.852 3.817 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -1.329 5.628 3.920 1.00 1.27 H new ATOM 1247 N HIS A 108 2.364 3.872 6.868 1.00 0.34 N ATOM 1248 CA HIS A 108 3.709 3.781 7.393 1.00 0.34 C ATOM 1249 C HIS A 108 4.384 2.565 6.781 1.00 0.32 C ATOM 1250 O HIS A 108 4.114 1.429 7.167 1.00 0.44 O ATOM 1251 CB HIS A 108 3.685 3.681 8.923 1.00 0.45 C ATOM 1252 CG HIS A 108 4.953 4.140 9.578 1.00 0.53 C ATOM 1253 ND1 HIS A 108 5.326 3.764 10.852 1.00 0.97 N ATOM 1254 CD2 HIS A 108 5.915 4.988 9.145 1.00 0.54 C ATOM 1255 CE1 HIS A 108 6.459 4.363 11.171 1.00 1.02 C ATOM 1256 NE2 HIS A 108 6.837 5.110 10.154 1.00 0.68 N ATOM 0 H HIS A 108 1.702 3.209 7.272 1.00 0.34 H new ATOM 0 HA HIS A 108 4.270 4.679 7.133 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.854 4.275 9.304 1.00 0.45 H new ATOM 0 HB3 HIS A 108 3.494 2.646 9.207 1.00 0.45 H new ATOM 0 HD2 HIS A 108 5.950 5.478 8.183 1.00 0.54 H new ATOM 0 HE1 HIS A 108 6.987 4.258 12.108 1.00 1.02 H new ATOM 0 HE2 HIS A 108 7.678 5.686 10.122 1.00 0.68 H new ATOM 1265 N MET A 109 5.241 2.817 5.814 1.00 0.30 N ATOM 1266 CA MET A 109 5.880 1.751 5.048 1.00 0.39 C ATOM 1267 C MET A 109 7.348 1.628 5.428 1.00 0.34 C ATOM 1268 O MET A 109 8.010 2.634 5.647 1.00 0.45 O ATOM 1269 CB MET A 109 5.714 2.015 3.540 1.00 0.65 C ATOM 1270 CG MET A 109 6.308 3.332 3.035 1.00 0.87 C ATOM 1271 SD MET A 109 8.084 3.263 2.725 1.00 2.22 S ATOM 1272 CE MET A 109 8.156 2.067 1.397 1.00 2.49 C ATOM 0 H MET A 109 5.517 3.758 5.533 1.00 0.30 H new ATOM 0 HA MET A 109 5.396 0.804 5.284 1.00 0.39 H new ATOM 0 HB2 MET A 109 6.176 1.194 2.992 1.00 0.65 H new ATOM 0 HB3 MET A 109 4.651 2.000 3.301 1.00 0.65 H new ATOM 0 HG2 MET A 109 5.800 3.619 2.115 1.00 0.87 H new ATOM 0 HG3 MET A 109 6.107 4.114 3.767 1.00 0.87 H new ATOM 0 HE1 MET A 109 8.773 2.458 0.588 1.00 2.49 H new ATOM 0 HE2 MET A 109 8.589 1.138 1.767 1.00 2.49 H new ATOM 0 HE3 MET A 109 7.150 1.875 1.025 1.00 2.49 H new ATOM 1282 N LYS A 110 7.860 0.403 5.517 1.00 0.32 N ATOM 1283 CA LYS A 110 9.245 0.206 5.919 1.00 0.35 C ATOM 1284 C LYS A 110 9.826 -1.057 5.311 1.00 0.32 C ATOM 1285 O LYS A 110 9.115 -2.013 5.047 1.00 0.45 O ATOM 1286 CB LYS A 110 9.377 0.174 7.445 1.00 0.50 C ATOM 1287 CG LYS A 110 8.631 -0.953 8.132 1.00 0.97 C ATOM 1288 CD LYS A 110 8.751 -0.821 9.638 1.00 0.91 C ATOM 1289 CE LYS A 110 8.156 -2.010 10.369 1.00 1.31 C ATOM 1290 NZ LYS A 110 8.245 -1.842 11.842 1.00 1.57 N ATOM 0 H LYS A 110 7.344 -0.454 5.319 1.00 0.32 H new ATOM 0 HA LYS A 110 9.815 1.055 5.542 1.00 0.35 H new ATOM 0 HB2 LYS A 110 10.434 0.098 7.701 1.00 0.50 H new ATOM 0 HB3 LYS A 110 9.019 1.123 7.845 1.00 0.50 H new ATOM 0 HG2 LYS A 110 7.581 -0.934 7.841 1.00 0.97 H new ATOM 0 HG3 LYS A 110 9.033 -1.914 7.811 1.00 0.97 H new ATOM 0 HD2 LYS A 110 9.802 -0.719 9.909 1.00 0.91 H new ATOM 0 HD3 LYS A 110 8.249 0.090 9.962 1.00 0.91 H new ATOM 0 HE2 LYS A 110 7.113 -2.133 10.078 1.00 1.31 H new ATOM 0 HE3 LYS A 110 8.679 -2.920 10.073 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 7.830 -2.672 12.312 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 9.243 -1.749 12.121 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 7.725 -0.987 12.126 1.00 1.57 H new ATOM 1304 N LYS A 111 11.128 -1.050 5.116 1.00 0.37 N ATOM 1305 CA LYS A 111 11.818 -2.112 4.398 1.00 0.38 C ATOM 1306 C LYS A 111 11.969 -3.381 5.233 1.00 0.43 C ATOM 1307 O LYS A 111 12.296 -3.326 6.420 1.00 0.60 O ATOM 1308 CB LYS A 111 13.199 -1.606 3.970 1.00 0.49 C ATOM 1309 CG LYS A 111 14.107 -2.687 3.411 1.00 0.56 C ATOM 1310 CD LYS A 111 15.495 -2.150 3.097 1.00 1.03 C ATOM 1311 CE LYS A 111 16.142 -1.500 4.310 1.00 1.49 C ATOM 1312 NZ LYS A 111 17.444 -0.868 3.969 1.00 2.13 N ATOM 0 H LYS A 111 11.743 -0.308 5.450 1.00 0.37 H new ATOM 0 HA LYS A 111 11.216 -2.373 3.528 1.00 0.38 H new ATOM 0 HB2 LYS A 111 13.072 -0.828 3.218 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.687 -1.144 4.828 1.00 0.49 H new ATOM 0 HG2 LYS A 111 14.187 -3.503 4.130 1.00 0.56 H new ATOM 0 HG3 LYS A 111 13.664 -3.102 2.506 1.00 0.56 H new ATOM 0 HD2 LYS A 111 16.127 -2.964 2.742 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.428 -1.422 2.288 1.00 1.03 H new ATOM 0 HE2 LYS A 111 15.469 -0.747 4.721 1.00 1.49 H new ATOM 0 HE3 LYS A 111 16.294 -2.250 5.086 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 17.780 -0.308 4.778 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 18.141 -1.607 3.746 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 17.323 -0.246 3.144 1.00 2.13 H new ATOM 1326 N ALA A 112 11.715 -4.517 4.593 1.00 0.44 N ATOM 1327 CA ALA A 112 12.019 -5.817 5.162 1.00 0.59 C ATOM 1328 C ALA A 112 12.771 -6.652 4.136 1.00 0.92 C ATOM 1329 O ALA A 112 12.195 -7.123 3.152 1.00 1.57 O ATOM 1330 CB ALA A 112 10.752 -6.527 5.601 1.00 0.96 C ATOM 0 H ALA A 112 11.293 -4.559 3.666 1.00 0.44 H new ATOM 0 HA ALA A 112 12.644 -5.680 6.044 1.00 0.59 H new ATOM 0 HB1 ALA A 112 11.007 -7.499 6.024 1.00 0.96 H new ATOM 0 HB2 ALA A 112 10.241 -5.927 6.354 1.00 0.96 H new ATOM 0 HB3 ALA A 112 10.096 -6.666 4.741 1.00 0.96 H new ATOM 1336 N LEU A 113 14.061 -6.839 4.363 1.00 1.01 N ATOM 1337 CA LEU A 113 14.920 -7.504 3.390 1.00 1.49 C ATOM 1338 C LEU A 113 14.667 -9.013 3.371 1.00 1.26 C ATOM 1339 O LEU A 113 15.309 -9.749 2.625 1.00 2.05 O ATOM 1340 CB LEU A 113 16.394 -7.210 3.697 1.00 2.52 C ATOM 1341 CG LEU A 113 17.370 -7.532 2.565 1.00 3.38 C ATOM 1342 CD1 LEU A 113 17.047 -6.702 1.332 1.00 3.91 C ATOM 1343 CD2 LEU A 113 18.802 -7.287 3.008 1.00 4.41 C ATOM 0 H LEU A 113 14.539 -6.540 5.213 1.00 1.01 H new ATOM 0 HA LEU A 113 14.681 -7.112 2.401 1.00 1.49 H new ATOM 0 HB2 LEU A 113 16.492 -6.155 3.951 1.00 2.52 H new ATOM 0 HB3 LEU A 113 16.685 -7.779 4.580 1.00 2.52 H new ATOM 0 HG LEU A 113 17.264 -8.587 2.311 1.00 3.38 H new ATOM 0 HD11 LEU A 113 17.751 -6.944 0.536 1.00 3.91 H new ATOM 0 HD12 LEU A 113 16.033 -6.924 0.999 1.00 3.91 H new ATOM 0 HD13 LEU A 113 17.125 -5.643 1.576 1.00 3.91 H new ATOM 0 HD21 LEU A 113 19.482 -7.522 2.189 1.00 4.41 H new ATOM 0 HD22 LEU A 113 18.922 -6.241 3.290 1.00 4.41 H new ATOM 0 HD23 LEU A 113 19.032 -7.922 3.863 1.00 4.41 H new ATOM 1355 N SER A 114 13.713 -9.456 4.185 1.00 1.21 N ATOM 1356 CA SER A 114 13.336 -10.862 4.261 1.00 1.56 C ATOM 1357 C SER A 114 13.034 -11.428 2.873 1.00 1.72 C ATOM 1358 O SER A 114 13.502 -12.510 2.518 1.00 2.36 O ATOM 1359 CB SER A 114 12.108 -11.010 5.159 1.00 2.13 C ATOM 1360 OG SER A 114 12.171 -10.113 6.258 1.00 2.55 O ATOM 0 H SER A 114 13.181 -8.850 4.809 1.00 1.21 H new ATOM 0 HA SER A 114 14.172 -11.422 4.680 1.00 1.56 H new ATOM 0 HB2 SER A 114 11.204 -10.819 4.580 1.00 2.13 H new ATOM 0 HB3 SER A 114 12.042 -12.035 5.525 1.00 2.13 H new ATOM 0 HG SER A 114 11.374 -10.225 6.817 1.00 2.55 H new ATOM 1366 N GLY A 115 12.264 -10.679 2.089 1.00 1.73 N ATOM 1367 CA GLY A 115 11.906 -11.130 0.758 1.00 2.05 C ATOM 1368 C GLY A 115 11.922 -10.006 -0.257 1.00 1.87 C ATOM 1369 O GLY A 115 11.178 -10.040 -1.235 1.00 2.62 O ATOM 0 H GLY A 115 11.883 -9.770 2.352 1.00 1.73 H new ATOM 0 HA2 GLY A 115 12.599 -11.910 0.443 1.00 2.05 H new ATOM 0 HA3 GLY A 115 10.913 -11.578 0.784 1.00 2.05 H new ATOM 1373 N ASP A 116 12.773 -9.010 -0.014 1.00 1.38 N ATOM 1374 CA ASP A 116 12.912 -7.855 -0.908 1.00 1.29 C ATOM 1375 C ASP A 116 11.572 -7.168 -1.147 1.00 1.01 C ATOM 1376 O ASP A 116 11.090 -7.081 -2.279 1.00 1.32 O ATOM 1377 CB ASP A 116 13.549 -8.260 -2.243 1.00 1.58 C ATOM 1378 CG ASP A 116 15.021 -8.588 -2.103 1.00 2.09 C ATOM 1379 OD1 ASP A 116 15.862 -7.729 -2.440 1.00 2.76 O ATOM 1380 OD2 ASP A 116 15.344 -9.703 -1.654 1.00 2.42 O ATOM 0 H ASP A 116 13.383 -8.978 0.803 1.00 1.38 H new ATOM 0 HA ASP A 116 13.573 -7.144 -0.413 1.00 1.29 H new ATOM 0 HB2 ASP A 116 13.023 -9.126 -2.646 1.00 1.58 H new ATOM 0 HB3 ASP A 116 13.427 -7.450 -2.962 1.00 1.58 H new ATOM 1385 N SER A 117 10.980 -6.691 -0.066 1.00 0.60 N ATOM 1386 CA SER A 117 9.721 -5.979 -0.109 1.00 0.36 C ATOM 1387 C SER A 117 9.533 -5.253 1.221 1.00 0.34 C ATOM 1388 O SER A 117 10.236 -5.541 2.188 1.00 0.54 O ATOM 1389 CB SER A 117 8.560 -6.949 -0.409 1.00 0.35 C ATOM 1390 OG SER A 117 7.308 -6.302 -0.349 1.00 1.07 O ATOM 0 H SER A 117 11.366 -6.789 0.873 1.00 0.60 H new ATOM 0 HA SER A 117 9.728 -5.244 -0.914 1.00 0.36 H new ATOM 0 HB2 SER A 117 8.697 -7.385 -1.399 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.579 -7.771 0.307 1.00 0.35 H new ATOM 0 HG SER A 117 6.736 -6.629 -1.074 1.00 1.07 H new ATOM 1396 N TYR A 118 8.617 -4.308 1.273 1.00 0.22 N ATOM 1397 CA TYR A 118 8.445 -3.487 2.451 1.00 0.24 C ATOM 1398 C TYR A 118 7.202 -3.921 3.204 1.00 0.24 C ATOM 1399 O TYR A 118 6.276 -4.481 2.623 1.00 0.26 O ATOM 1400 CB TYR A 118 8.300 -2.015 2.058 1.00 0.30 C ATOM 1401 CG TYR A 118 9.290 -1.565 1.015 1.00 0.32 C ATOM 1402 CD1 TYR A 118 8.885 -1.231 -0.267 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.635 -1.467 1.325 1.00 0.57 C ATOM 1404 CE1 TYR A 118 9.797 -0.813 -1.213 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.554 -1.053 0.386 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.095 -0.748 -0.925 1.00 0.67 C ATOM 1407 OH TYR A 118 12.042 -0.301 -1.818 1.00 0.86 O ATOM 0 H TYR A 118 7.978 -4.090 0.509 1.00 0.22 H new ATOM 0 HA TYR A 118 9.323 -3.606 3.086 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.290 -1.846 1.684 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.418 -1.397 2.948 1.00 0.30 H new ATOM 0 HD1 TYR A 118 7.840 -1.299 -0.529 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.970 -1.719 2.320 1.00 0.57 H new ATOM 0 HE1 TYR A 118 9.454 -0.535 -2.199 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.600 -0.962 0.640 1.00 0.72 H new ATOM 0 HH TYR A 118 11.752 -0.504 -2.732 1.00 0.86 H new ATOM 1417 N TRP A 119 7.173 -3.628 4.479 1.00 0.27 N ATOM 1418 CA TRP A 119 5.997 -3.846 5.280 1.00 0.30 C ATOM 1419 C TRP A 119 5.297 -2.523 5.468 1.00 0.33 C ATOM 1420 O TRP A 119 5.768 -1.653 6.200 1.00 0.38 O ATOM 1421 CB TRP A 119 6.356 -4.450 6.639 1.00 0.36 C ATOM 1422 CG TRP A 119 6.527 -5.939 6.606 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.697 -6.629 6.689 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.489 -6.919 6.479 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.455 -7.980 6.622 1.00 0.52 N ATOM 1426 CE2 TRP A 119 6.107 -8.185 6.493 1.00 0.48 C ATOM 1427 CE3 TRP A 119 4.097 -6.850 6.360 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 5.381 -9.369 6.383 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 3.379 -8.026 6.252 1.00 0.63 C ATOM 1430 CH2 TRP A 119 4.021 -9.270 6.267 1.00 0.62 C ATOM 0 H TRP A 119 7.962 -3.232 4.990 1.00 0.27 H new ATOM 0 HA TRP A 119 5.342 -4.553 4.771 1.00 0.30 H new ATOM 0 HB2 TRP A 119 7.279 -3.994 6.998 1.00 0.36 H new ATOM 0 HB3 TRP A 119 5.576 -4.198 7.357 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.674 -6.180 6.792 1.00 0.48 H new ATOM 0 HE1 TRP A 119 8.164 -8.712 6.662 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.592 -5.895 6.353 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.874 -10.330 6.389 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 2.304 -7.985 6.154 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.431 -10.171 6.185 1.00 0.62 H new ATOM 1441 N VAL A 120 4.191 -2.359 4.774 1.00 0.33 N ATOM 1442 CA VAL A 120 3.450 -1.127 4.835 1.00 0.37 C ATOM 1443 C VAL A 120 2.230 -1.282 5.739 1.00 0.40 C ATOM 1444 O VAL A 120 1.407 -2.184 5.572 1.00 0.55 O ATOM 1445 CB VAL A 120 3.107 -0.703 3.616 1.00 0.40 C ATOM 1446 CG1 VAL A 120 2.377 -1.778 2.820 1.00 0.90 C ATOM 1447 CG2 VAL A 120 2.277 0.561 3.678 1.00 0.91 C ATOM 0 H VAL A 120 3.788 -3.068 4.161 1.00 0.33 H new ATOM 0 HA VAL A 120 4.096 -0.363 5.268 1.00 0.37 H new ATOM 0 HB VAL A 120 4.037 -0.476 3.095 1.00 0.40 H new ATOM 0 HG11 VAL A 120 2.118 -1.389 1.836 1.00 0.90 H new ATOM 0 HG12 VAL A 120 3.023 -2.649 2.707 1.00 0.90 H new ATOM 0 HG13 VAL A 120 1.468 -2.067 3.347 1.00 0.90 H new ATOM 0 HG21 VAL A 120 2.017 0.876 2.667 1.00 0.91 H new ATOM 0 HG22 VAL A 120 1.365 0.370 4.244 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.850 1.349 4.167 1.00 0.91 H new ATOM 1457 N PHE A 121 2.171 -0.436 6.750 1.00 0.39 N ATOM 1458 CA PHE A 121 1.086 -0.464 7.703 1.00 0.41 C ATOM 1459 C PHE A 121 0.135 0.685 7.428 1.00 0.41 C ATOM 1460 O PHE A 121 0.471 1.855 7.624 1.00 0.49 O ATOM 1461 CB PHE A 121 1.628 -0.393 9.133 1.00 0.48 C ATOM 1462 CG PHE A 121 2.530 -1.543 9.479 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.904 -1.429 9.333 1.00 0.56 C ATOM 1464 CD2 PHE A 121 2.008 -2.735 9.955 1.00 0.69 C ATOM 1465 CE1 PHE A 121 4.737 -2.481 9.658 1.00 0.65 C ATOM 1466 CE2 PHE A 121 2.837 -3.790 10.282 1.00 0.79 C ATOM 1467 CZ PHE A 121 4.196 -3.677 10.106 1.00 0.73 C ATOM 0 H PHE A 121 2.870 0.284 6.930 1.00 0.39 H new ATOM 0 HA PHE A 121 0.541 -1.402 7.597 1.00 0.41 H new ATOM 0 HB2 PHE A 121 2.175 0.541 9.262 1.00 0.48 H new ATOM 0 HB3 PHE A 121 0.792 -0.372 9.832 1.00 0.48 H new ATOM 0 HD1 PHE A 121 4.327 -0.508 8.961 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.940 -2.840 10.072 1.00 0.69 H new ATOM 0 HE1 PHE A 121 5.807 -2.373 9.564 1.00 0.65 H new ATOM 0 HE2 PHE A 121 2.418 -4.704 10.676 1.00 0.79 H new ATOM 0 HZ PHE A 121 4.841 -4.518 10.316 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.041 0.334 6.945 1.00 0.42 N ATOM 1478 CA VAL A 122 -2.039 1.307 6.554 1.00 0.51 C ATOM 1479 C VAL A 122 -3.135 1.377 7.607 1.00 0.54 C ATOM 1480 O VAL A 122 -3.938 0.454 7.751 1.00 0.76 O ATOM 1481 CB VAL A 122 -2.575 0.986 5.382 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -3.558 2.053 4.924 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -1.504 0.767 4.326 1.00 1.16 C ATOM 0 H VAL A 122 -1.330 -0.635 6.813 1.00 0.42 H new ATOM 0 HA VAL A 122 -1.553 2.278 6.465 1.00 0.51 H new ATOM 0 HB VAL A 122 -3.117 0.049 5.515 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -3.983 1.767 3.962 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -4.357 2.151 5.659 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -3.039 3.006 4.822 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -1.975 0.506 3.379 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -0.923 1.681 4.202 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -0.845 -0.043 4.639 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.159 2.466 8.358 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.207 2.667 9.338 1.00 0.66 C ATOM 1495 C LYS A 123 -5.208 3.691 8.834 1.00 0.55 C ATOM 1496 O LYS A 123 -4.832 4.788 8.426 1.00 0.51 O ATOM 1497 CB LYS A 123 -3.647 3.138 10.681 1.00 0.93 C ATOM 1498 CG LYS A 123 -4.737 3.328 11.724 1.00 1.36 C ATOM 1499 CD LYS A 123 -4.236 4.047 12.961 1.00 1.80 C ATOM 1500 CE LYS A 123 -5.370 4.281 13.947 1.00 2.62 C ATOM 1501 NZ LYS A 123 -6.433 5.157 13.383 1.00 3.31 N ATOM 0 H LYS A 123 -2.470 3.217 8.307 1.00 0.52 H new ATOM 0 HA LYS A 123 -4.697 1.705 9.487 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -2.921 2.411 11.045 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -3.113 4.078 10.540 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -5.560 3.894 11.287 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -5.136 2.355 12.010 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -3.451 3.459 13.436 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -3.792 5.001 12.678 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -5.805 3.323 14.233 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -4.972 4.734 14.855 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -7.106 5.413 14.133 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -6.002 6.020 12.995 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -6.935 4.650 12.626 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.477 3.322 8.859 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.543 4.240 8.501 1.00 0.76 C ATOM 1517 C ARG A 124 -7.687 5.310 9.582 1.00 0.85 C ATOM 1518 O ARG A 124 -7.769 4.993 10.774 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.853 3.469 8.309 1.00 1.03 C ATOM 1520 CG ARG A 124 -8.766 2.424 7.204 1.00 1.58 C ATOM 1521 CD ARG A 124 -10.052 1.627 7.053 1.00 2.10 C ATOM 1522 NE ARG A 124 -10.318 0.763 8.206 1.00 2.55 N ATOM 1523 CZ ARG A 124 -10.250 -0.570 8.172 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -9.840 -1.194 7.073 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -10.594 -1.279 9.242 1.00 4.03 N ATOM 0 H ARG A 124 -6.794 2.390 9.125 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.299 4.734 7.560 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.122 2.980 9.245 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -9.652 4.172 8.076 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -8.535 2.917 6.260 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -7.943 1.742 7.417 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -10.887 2.314 6.918 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -9.993 1.016 6.152 1.00 2.10 H new ATOM 0 HE ARG A 124 -10.571 1.207 9.089 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -9.575 -0.654 6.249 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -9.790 -2.213 7.053 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -10.910 -0.805 10.088 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -10.542 -2.297 9.217 1.00 4.03 H new ATOM 1539 N VAL A 125 -7.670 6.570 9.171 1.00 1.06 N ATOM 1540 CA VAL A 125 -7.742 7.679 10.110 1.00 1.33 C ATOM 1541 C VAL A 125 -9.092 8.392 10.026 1.00 2.00 C ATOM 1542 O VAL A 125 -10.033 7.947 10.717 1.00 2.87 O ATOM 1543 CB VAL A 125 -6.742 8.545 9.942 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -5.468 7.996 10.569 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -6.497 8.869 8.473 1.00 2.08 C ATOM 1546 OXT VAL A 125 -9.226 9.375 9.269 1.00 2.26 O ATOM 0 H VAL A 125 -7.607 6.849 8.192 1.00 1.06 H new ATOM 0 HA VAL A 125 -7.641 7.252 11.108 1.00 1.33 H new ATOM 0 HB VAL A 125 -7.030 9.472 10.437 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -4.656 8.709 10.427 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -5.627 7.835 11.635 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -5.207 7.050 10.094 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -5.673 9.578 8.389 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -6.245 7.955 7.936 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -7.397 9.306 8.042 1.00 2.08 H new