USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=26 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= 0.594 K(o=0.76,f=-5.3) USER MOD Set 1.2: A 89 ASN : amide:sc= 0.165 K(o=0.76,f=-5.3!) USER MOD Set 2.1: A 76 TYR OH : rot 180:sc= 1.11 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -145:sc= 1.25 (180deg=-0.196) USER MOD Set 3.1: A 72 SER OG : rot -144:sc= 0.511 USER MOD Set 3.2: A 94 TYR OH : rot 31:sc= 0.561 USER MOD Set 4.1: A 69 CYS SG : rot -17:sc= 0.215 USER MOD Set 4.2: A 70 THR OG1 : rot -101:sc= -0.34 USER MOD Set 5.1: A 50 THR OG1 : rot 95:sc= 1.26 USER MOD Set 5.2: A 100 MET CE :methyl -160:sc= -0.0959 (180deg=-0.545) USER MOD Set 6.1: A 32 GLN : amide:sc= 1.94 K(o=3.8,f=0.9) USER MOD Set 6.2: A 41 GLN : amide:sc= 1.08 K(o=3.8,f=0.9) USER MOD Set 6.3: A 117 SER OG : rot -140:sc= 0.813 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 42 TYR OH : rot 150:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.71) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 0.31 (180deg=0.125) USER MOD Single : A 61 ASN : amide:sc=-0.00991 K(o=-0.0099,f=-2.2) USER MOD Single : A 64 LYS NZ :NH3+ -150:sc= 0.333 (180deg=0.0269) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -79:sc= 1.22 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 91 MET CE :methyl 163:sc= -0.0624 (180deg=-0.514) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 1.11 K(o=1.1,f=-4.6!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 103 THR OG1 : rot -150:sc= 1.36 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 166:sc= -0.0156 (180deg=-0.19) USER MOD Single : A 108 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : A 109 MET CE :methyl 164:sc= -0.588 (180deg=-1.67) USER MOD Single : A 110 LYS NZ :NH3+ -169:sc= -0.0392 (180deg=-0.229) USER MOD Single : A 111 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0234) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -3.75! USER MOD Single : A 123 LYS NZ :NH3+ -168:sc= 0.436 (180deg=0.349) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -6.436 -3.321 10.847 1.00 1.27 N ATOM 31 CA PHE A 28 -6.684 -2.582 9.609 1.00 1.21 C ATOM 32 C PHE A 28 -6.153 -3.365 8.402 1.00 0.94 C ATOM 33 O PHE A 28 -6.091 -4.599 8.430 1.00 0.94 O ATOM 34 CB PHE A 28 -6.049 -1.184 9.687 1.00 1.52 C ATOM 35 CG PHE A 28 -6.541 -0.370 10.848 1.00 1.96 C ATOM 36 CD1 PHE A 28 -7.772 0.262 10.797 1.00 2.75 C ATOM 37 CD2 PHE A 28 -5.770 -0.237 11.991 1.00 2.12 C ATOM 38 CE1 PHE A 28 -8.223 1.014 11.863 1.00 3.75 C ATOM 39 CE2 PHE A 28 -6.217 0.515 13.059 1.00 2.99 C ATOM 40 CZ PHE A 28 -7.456 1.134 12.995 1.00 3.85 C ATOM 0 HA PHE A 28 -7.760 -2.459 9.482 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -4.966 -1.288 9.759 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -6.257 -0.646 8.762 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -8.386 0.166 9.914 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -4.809 -0.727 12.047 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -9.181 1.509 11.806 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -5.604 0.621 13.942 1.00 2.99 H new ATOM 0 HZ PHE A 28 -7.817 1.710 13.834 1.00 3.85 H new ATOM 50 N GLY A 29 -5.783 -2.663 7.342 1.00 0.85 N ATOM 51 CA GLY A 29 -5.252 -3.322 6.174 1.00 0.73 C ATOM 52 C GLY A 29 -3.752 -3.172 6.088 1.00 0.63 C ATOM 53 O GLY A 29 -3.218 -2.078 6.269 1.00 0.69 O ATOM 0 H GLY A 29 -5.842 -1.647 7.273 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -5.512 -4.380 6.202 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -5.712 -2.905 5.279 1.00 0.73 H new ATOM 57 N ALA A 30 -3.069 -4.273 5.830 1.00 0.66 N ATOM 58 CA ALA A 30 -1.623 -4.257 5.712 1.00 0.59 C ATOM 59 C ALA A 30 -1.206 -5.002 4.460 1.00 0.56 C ATOM 60 O ALA A 30 -1.726 -6.084 4.172 1.00 0.65 O ATOM 61 CB ALA A 30 -0.977 -4.870 6.942 1.00 0.71 C ATOM 0 H ALA A 30 -3.494 -5.191 5.698 1.00 0.66 H new ATOM 0 HA ALA A 30 -1.285 -3.223 5.638 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.107 -4.848 6.833 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -1.264 -4.301 7.826 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -1.310 -5.902 7.052 1.00 0.71 H new ATOM 67 N ILE A 31 -0.299 -4.406 3.707 1.00 0.49 N ATOM 68 CA ILE A 31 0.131 -4.965 2.439 1.00 0.53 C ATOM 69 C ILE A 31 1.658 -5.057 2.405 1.00 0.43 C ATOM 70 O ILE A 31 2.348 -4.241 3.011 1.00 0.49 O ATOM 71 CB ILE A 31 -0.309 -4.228 1.402 1.00 0.62 C ATOM 72 CG1 ILE A 31 -1.842 -4.146 1.367 1.00 0.82 C ATOM 73 CG2 ILE A 31 0.198 -4.760 0.066 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.416 -2.911 2.035 1.00 0.96 C ATOM 0 H ILE A 31 0.157 -3.528 3.955 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.298 -5.963 2.346 1.00 0.53 H new ATOM 0 HB ILE A 31 0.094 -3.227 1.555 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.172 -4.170 0.328 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -2.253 -5.031 1.852 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.182 -4.135 -0.742 1.00 1.08 H new ATOM 0 HG22 ILE A 31 1.288 -4.742 0.057 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -0.149 -5.784 -0.073 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.504 -2.932 1.965 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -2.120 -2.894 3.084 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.038 -2.019 1.536 1.00 0.96 H new ATOM 86 N GLN A 32 2.182 -6.094 1.777 1.00 0.39 N ATOM 87 CA GLN A 32 3.603 -6.164 1.510 1.00 0.34 C ATOM 88 C GLN A 32 3.817 -5.866 0.039 1.00 0.33 C ATOM 89 O GLN A 32 3.286 -6.572 -0.813 1.00 0.36 O ATOM 90 CB GLN A 32 4.164 -7.547 1.863 1.00 0.37 C ATOM 91 CG GLN A 32 5.675 -7.563 2.024 1.00 0.53 C ATOM 92 CD GLN A 32 6.198 -8.929 2.416 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.497 -9.710 3.060 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.429 -9.228 2.037 1.00 0.86 N ATOM 0 H GLN A 32 1.646 -6.895 1.444 1.00 0.39 H new ATOM 0 HA GLN A 32 4.130 -5.435 2.126 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.704 -7.892 2.789 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.882 -8.255 1.084 1.00 0.37 H new ATOM 0 HG2 GLN A 32 6.141 -7.253 1.089 1.00 0.53 H new ATOM 0 HG3 GLN A 32 5.965 -6.835 2.781 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.977 -8.552 1.504 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.831 -10.134 2.277 1.00 0.86 H new ATOM 103 N LEU A 33 4.548 -4.808 -0.268 1.00 0.38 N ATOM 104 CA LEU A 33 4.775 -4.447 -1.661 1.00 0.41 C ATOM 105 C LEU A 33 6.252 -4.219 -1.921 1.00 0.33 C ATOM 106 O LEU A 33 6.978 -3.803 -1.032 1.00 0.36 O ATOM 107 CB LEU A 33 3.972 -3.207 -2.093 1.00 0.56 C ATOM 108 CG LEU A 33 4.461 -1.843 -1.579 1.00 0.91 C ATOM 109 CD1 LEU A 33 3.665 -0.726 -2.232 1.00 1.24 C ATOM 110 CD2 LEU A 33 4.353 -1.737 -0.065 1.00 1.62 C ATOM 0 H LEU A 33 4.989 -4.191 0.414 1.00 0.38 H new ATOM 0 HA LEU A 33 4.423 -5.288 -2.259 1.00 0.41 H new ATOM 0 HB2 LEU A 33 3.961 -3.174 -3.182 1.00 0.56 H new ATOM 0 HB3 LEU A 33 2.941 -3.341 -1.767 1.00 0.56 H new ATOM 0 HG LEU A 33 5.514 -1.748 -1.845 1.00 0.91 H new ATOM 0 HD11 LEU A 33 4.018 0.237 -1.862 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.796 -0.770 -3.313 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.609 -0.842 -1.990 1.00 1.24 H new ATOM 0 HD21 LEU A 33 4.708 -0.758 0.257 1.00 1.62 H new ATOM 0 HD22 LEU A 33 3.313 -1.862 0.235 1.00 1.62 H new ATOM 0 HD23 LEU A 33 4.960 -2.514 0.398 1.00 1.62 H new ATOM 122 N ASP A 34 6.693 -4.483 -3.137 1.00 0.33 N ATOM 123 CA ASP A 34 8.098 -4.316 -3.485 1.00 0.34 C ATOM 124 C ASP A 34 8.282 -3.041 -4.295 1.00 0.40 C ATOM 125 O ASP A 34 7.302 -2.436 -4.721 1.00 0.43 O ATOM 126 CB ASP A 34 8.629 -5.529 -4.259 1.00 0.38 C ATOM 127 CG ASP A 34 8.611 -5.332 -5.764 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.545 -5.503 -6.383 1.00 0.89 O ATOM 129 OD2 ASP A 34 9.679 -5.006 -6.332 1.00 1.22 O ATOM 0 H ASP A 34 6.103 -4.813 -3.901 1.00 0.33 H new ATOM 0 HA ASP A 34 8.673 -4.238 -2.562 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.650 -5.738 -3.939 1.00 0.38 H new ATOM 0 HB3 ASP A 34 8.030 -6.404 -4.006 1.00 0.38 H new ATOM 134 N GLY A 35 9.535 -2.632 -4.480 1.00 0.47 N ATOM 135 CA GLY A 35 9.847 -1.371 -5.140 1.00 0.57 C ATOM 136 C GLY A 35 9.160 -1.179 -6.487 1.00 0.64 C ATOM 137 O GLY A 35 8.890 -0.043 -6.888 1.00 0.79 O ATOM 0 H GLY A 35 10.354 -3.161 -4.179 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.564 -0.550 -4.481 1.00 0.57 H new ATOM 0 HA3 GLY A 35 10.926 -1.307 -5.283 1.00 0.57 H new ATOM 141 N ASP A 36 8.877 -2.274 -7.189 1.00 0.58 N ATOM 142 CA ASP A 36 8.213 -2.194 -8.490 1.00 0.66 C ATOM 143 C ASP A 36 6.733 -1.884 -8.337 1.00 0.61 C ATOM 144 O ASP A 36 6.090 -1.391 -9.265 1.00 0.78 O ATOM 145 CB ASP A 36 8.386 -3.491 -9.284 1.00 0.69 C ATOM 146 CG ASP A 36 9.722 -3.567 -9.993 1.00 1.21 C ATOM 147 OD1 ASP A 36 10.027 -2.655 -10.795 1.00 1.95 O ATOM 148 OD2 ASP A 36 10.467 -4.541 -9.772 1.00 1.56 O ATOM 0 H ASP A 36 9.095 -3.222 -6.882 1.00 0.58 H new ATOM 0 HA ASP A 36 8.687 -1.380 -9.039 1.00 0.66 H new ATOM 0 HB2 ASP A 36 8.288 -4.341 -8.609 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.584 -3.573 -10.018 1.00 0.69 H new ATOM 153 N GLY A 37 6.196 -2.160 -7.161 1.00 0.51 N ATOM 154 CA GLY A 37 4.794 -1.933 -6.916 1.00 0.53 C ATOM 155 C GLY A 37 4.013 -3.224 -6.875 1.00 0.47 C ATOM 156 O GLY A 37 2.791 -3.206 -6.752 1.00 0.53 O ATOM 0 H GLY A 37 6.712 -2.540 -6.368 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.672 -1.405 -5.970 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.389 -1.288 -7.696 1.00 0.53 H new ATOM 160 N ASN A 38 4.713 -4.346 -6.972 1.00 0.40 N ATOM 161 CA ASN A 38 4.059 -5.646 -6.939 1.00 0.39 C ATOM 162 C ASN A 38 3.685 -6.000 -5.518 1.00 0.34 C ATOM 163 O ASN A 38 4.437 -5.721 -4.580 1.00 0.40 O ATOM 164 CB ASN A 38 4.946 -6.751 -7.511 1.00 0.44 C ATOM 165 CG ASN A 38 5.186 -6.617 -9.001 1.00 0.70 C ATOM 166 OD1 ASN A 38 4.367 -6.058 -9.732 1.00 1.30 O ATOM 167 ND2 ASN A 38 6.304 -7.151 -9.466 1.00 1.24 N ATOM 0 H ASN A 38 5.727 -4.382 -7.074 1.00 0.40 H new ATOM 0 HA ASN A 38 3.166 -5.573 -7.559 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.905 -6.742 -6.993 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.485 -7.718 -7.310 1.00 0.44 H new ATOM 0 HD21 ASN A 38 6.513 -7.108 -10.463 1.00 1.24 H new ATOM 0 HD22 ASN A 38 6.957 -7.605 -8.827 1.00 1.24 H new ATOM 174 N ILE A 39 2.526 -6.604 -5.357 1.00 0.32 N ATOM 175 CA ILE A 39 2.060 -7.000 -4.052 1.00 0.32 C ATOM 176 C ILE A 39 2.555 -8.407 -3.714 1.00 0.36 C ATOM 177 O ILE A 39 2.749 -9.247 -4.597 1.00 0.41 O ATOM 178 CB ILE A 39 0.738 -6.944 -3.968 1.00 0.37 C ATOM 179 CG1 ILE A 39 0.220 -5.625 -4.549 1.00 0.41 C ATOM 180 CG2 ILE A 39 0.286 -7.094 -2.518 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.287 -5.502 -4.542 1.00 0.89 C ATOM 0 H ILE A 39 1.889 -6.831 -6.121 1.00 0.32 H new ATOM 0 HA ILE A 39 2.469 -6.296 -3.327 1.00 0.32 H new ATOM 0 HB ILE A 39 0.323 -7.768 -4.548 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.645 -4.797 -3.981 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.578 -5.525 -5.574 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -0.802 -7.045 -2.469 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.624 -8.054 -2.129 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.712 -6.289 -1.919 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.576 -4.541 -4.969 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.721 -6.307 -5.135 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.653 -5.568 -3.517 1.00 0.89 H new ATOM 193 N LEU A 40 2.851 -8.610 -2.444 1.00 0.40 N ATOM 194 CA LEU A 40 3.352 -9.872 -1.940 1.00 0.49 C ATOM 195 C LEU A 40 2.233 -10.659 -1.296 1.00 0.56 C ATOM 196 O LEU A 40 1.930 -11.783 -1.695 1.00 0.73 O ATOM 197 CB LEU A 40 4.430 -9.595 -0.898 1.00 0.55 C ATOM 198 CG LEU A 40 5.817 -9.230 -1.445 1.00 0.59 C ATOM 199 CD1 LEU A 40 6.434 -10.414 -2.170 1.00 1.39 C ATOM 200 CD2 LEU A 40 5.745 -8.023 -2.370 1.00 1.45 C ATOM 0 H LEU A 40 2.749 -7.893 -1.726 1.00 0.40 H new ATOM 0 HA LEU A 40 3.764 -10.450 -2.767 1.00 0.49 H new ATOM 0 HB2 LEU A 40 4.088 -8.782 -0.258 1.00 0.55 H new ATOM 0 HB3 LEU A 40 4.531 -10.477 -0.266 1.00 0.55 H new ATOM 0 HG LEU A 40 6.451 -8.969 -0.597 1.00 0.59 H new ATOM 0 HD11 LEU A 40 7.417 -10.136 -2.551 1.00 1.39 H new ATOM 0 HD12 LEU A 40 6.536 -11.251 -1.479 1.00 1.39 H new ATOM 0 HD13 LEU A 40 5.792 -10.706 -3.001 1.00 1.39 H new ATOM 0 HD21 LEU A 40 6.743 -7.789 -2.741 1.00 1.45 H new ATOM 0 HD22 LEU A 40 5.088 -8.247 -3.211 1.00 1.45 H new ATOM 0 HD23 LEU A 40 5.352 -7.167 -1.821 1.00 1.45 H new ATOM 212 N GLN A 41 1.639 -10.050 -0.284 1.00 0.59 N ATOM 213 CA GLN A 41 0.545 -10.648 0.448 1.00 0.73 C ATOM 214 C GLN A 41 -0.159 -9.592 1.288 1.00 0.61 C ATOM 215 O GLN A 41 0.429 -8.567 1.647 1.00 0.60 O ATOM 216 CB GLN A 41 1.040 -11.820 1.316 1.00 0.99 C ATOM 217 CG GLN A 41 2.270 -11.511 2.168 1.00 0.88 C ATOM 218 CD GLN A 41 1.950 -10.744 3.437 1.00 1.20 C ATOM 219 OE1 GLN A 41 0.875 -10.889 4.012 1.00 1.99 O ATOM 220 NE2 GLN A 41 2.883 -9.928 3.889 1.00 1.30 N ATOM 0 H GLN A 41 1.906 -9.124 0.051 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.174 -11.053 -0.264 1.00 0.73 H new ATOM 0 HB2 GLN A 41 0.230 -12.134 1.974 1.00 0.99 H new ATOM 0 HB3 GLN A 41 1.269 -12.664 0.666 1.00 0.99 H new ATOM 0 HG2 GLN A 41 2.763 -12.446 2.433 1.00 0.88 H new ATOM 0 HG3 GLN A 41 2.979 -10.934 1.573 1.00 0.88 H new ATOM 0 HE21 GLN A 41 3.765 -9.832 3.385 1.00 1.30 H new ATOM 0 HE22 GLN A 41 2.723 -9.393 4.742 1.00 1.30 H new ATOM 229 N TYR A 42 -1.428 -9.835 1.544 1.00 0.68 N ATOM 230 CA TYR A 42 -2.238 -8.973 2.396 1.00 0.69 C ATOM 231 C TYR A 42 -2.304 -9.536 3.810 1.00 0.78 C ATOM 232 O TYR A 42 -2.148 -10.739 4.017 1.00 1.25 O ATOM 233 CB TYR A 42 -3.660 -8.840 1.834 1.00 0.78 C ATOM 234 CG TYR A 42 -3.821 -7.827 0.720 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.048 -7.238 0.446 1.00 0.83 C ATOM 236 CD2 TYR A 42 -2.728 -7.448 -0.053 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.182 -6.307 -0.567 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.856 -6.522 -1.065 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.146 -5.984 -1.336 1.00 0.63 C ATOM 240 OH TYR A 42 -4.214 -5.023 -2.322 1.00 0.71 O ATOM 0 H TYR A 42 -1.933 -10.637 1.168 1.00 0.68 H new ATOM 0 HA TYR A 42 -1.771 -7.988 2.421 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -3.981 -9.815 1.466 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.332 -8.570 2.649 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -5.912 -7.512 1.034 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -1.761 -7.888 0.144 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.139 -5.836 -0.736 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -1.996 -6.211 -1.640 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.336 -4.602 -2.430 1.00 0.71 H new ATOM 250 N ASN A 43 -2.575 -8.660 4.772 1.00 0.89 N ATOM 251 CA ASN A 43 -2.688 -9.048 6.183 1.00 0.95 C ATOM 252 C ASN A 43 -4.003 -9.778 6.449 1.00 1.08 C ATOM 253 O ASN A 43 -4.400 -9.980 7.596 1.00 1.63 O ATOM 254 CB ASN A 43 -2.618 -7.800 7.058 1.00 0.96 C ATOM 255 CG ASN A 43 -2.338 -8.103 8.521 1.00 1.38 C ATOM 256 OD1 ASN A 43 -1.680 -9.088 8.849 1.00 2.13 O ATOM 257 ND2 ASN A 43 -2.821 -7.245 9.412 1.00 1.66 N ATOM 0 H ASN A 43 -2.723 -7.665 4.602 1.00 0.89 H new ATOM 0 HA ASN A 43 -1.865 -9.722 6.421 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -1.839 -7.141 6.676 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -3.561 -7.258 6.981 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -2.650 -7.392 10.407 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -3.363 -6.439 9.102 1.00 1.66 H new ATOM 264 N ALA A 44 -4.679 -10.123 5.363 1.00 1.12 N ATOM 265 CA ALA A 44 -5.933 -10.889 5.378 1.00 1.23 C ATOM 266 C ALA A 44 -7.124 -10.037 5.804 1.00 1.22 C ATOM 267 O ALA A 44 -8.191 -10.111 5.198 1.00 1.39 O ATOM 268 CB ALA A 44 -5.818 -12.135 6.252 1.00 1.48 C ATOM 0 H ALA A 44 -4.371 -9.877 4.422 1.00 1.12 H new ATOM 0 HA ALA A 44 -6.113 -11.210 4.352 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -6.764 -12.677 6.239 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -5.026 -12.778 5.867 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -5.582 -11.841 7.275 1.00 1.48 H new ATOM 274 N ALA A 45 -6.927 -9.211 6.823 1.00 1.21 N ATOM 275 CA ALA A 45 -7.991 -8.370 7.366 1.00 1.34 C ATOM 276 C ALA A 45 -8.616 -7.458 6.308 1.00 1.26 C ATOM 277 O ALA A 45 -9.771 -7.056 6.436 1.00 1.38 O ATOM 278 CB ALA A 45 -7.460 -7.542 8.523 1.00 1.52 C ATOM 0 H ALA A 45 -6.030 -9.104 7.296 1.00 1.21 H new ATOM 0 HA ALA A 45 -8.779 -9.035 7.720 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -8.260 -6.918 8.921 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -7.092 -8.205 9.306 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -6.646 -6.908 8.173 1.00 1.52 H new ATOM 284 N GLU A 46 -7.868 -7.147 5.254 1.00 1.18 N ATOM 285 CA GLU A 46 -8.370 -6.266 4.203 1.00 1.23 C ATOM 286 C GLU A 46 -9.492 -6.945 3.408 1.00 1.20 C ATOM 287 O GLU A 46 -10.279 -6.287 2.727 1.00 1.42 O ATOM 288 CB GLU A 46 -7.231 -5.838 3.271 1.00 1.27 C ATOM 289 CG GLU A 46 -7.631 -4.768 2.264 1.00 1.10 C ATOM 290 CD GLU A 46 -8.200 -3.523 2.922 1.00 1.31 C ATOM 291 OE1 GLU A 46 -9.372 -3.547 3.363 1.00 2.12 O ATOM 292 OE2 GLU A 46 -7.400 -2.315 3.040 1.00 1.31 O ATOM 0 H GLU A 46 -6.919 -7.489 5.104 1.00 1.18 H new ATOM 0 HA GLU A 46 -8.783 -5.375 4.676 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -6.402 -5.466 3.873 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -6.866 -6.713 2.732 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -6.761 -4.493 1.668 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -8.370 -5.180 1.577 1.00 1.10 H new ATOM 300 N GLY A 47 -9.566 -8.264 3.505 1.00 1.08 N ATOM 301 CA GLY A 47 -10.650 -8.991 2.874 1.00 1.18 C ATOM 302 C GLY A 47 -11.871 -9.073 3.769 1.00 1.25 C ATOM 303 O GLY A 47 -12.932 -9.539 3.349 1.00 1.42 O ATOM 0 H GLY A 47 -8.896 -8.845 4.009 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -10.918 -8.502 1.937 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -10.315 -9.998 2.624 1.00 1.18 H new ATOM 307 N ASP A 48 -11.712 -8.626 5.006 1.00 1.26 N ATOM 308 CA ASP A 48 -12.821 -8.558 5.949 1.00 1.49 C ATOM 309 C ASP A 48 -13.362 -7.138 5.983 1.00 1.53 C ATOM 310 O ASP A 48 -14.571 -6.916 5.903 1.00 1.74 O ATOM 311 CB ASP A 48 -12.364 -8.975 7.353 1.00 1.72 C ATOM 312 CG ASP A 48 -13.513 -9.108 8.339 1.00 2.01 C ATOM 313 OD1 ASP A 48 -13.913 -8.077 8.927 1.00 2.28 O ATOM 314 OD2 ASP A 48 -14.038 -10.233 8.516 1.00 2.35 O ATOM 0 H ASP A 48 -10.821 -8.303 5.383 1.00 1.26 H new ATOM 0 HA ASP A 48 -13.604 -9.244 5.626 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -11.836 -9.926 7.289 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -11.653 -8.240 7.730 1.00 1.72 H new ATOM 319 N ILE A 49 -12.445 -6.180 6.084 1.00 1.50 N ATOM 320 CA ILE A 49 -12.803 -4.771 6.125 1.00 1.74 C ATOM 321 C ILE A 49 -13.409 -4.328 4.793 1.00 1.73 C ATOM 322 O ILE A 49 -14.599 -4.018 4.718 1.00 2.08 O ATOM 323 CB ILE A 49 -11.751 -4.009 6.406 1.00 1.98 C ATOM 324 CG1 ILE A 49 -11.048 -4.478 7.675 1.00 2.10 C ATOM 325 CG2 ILE A 49 -12.163 -2.545 6.541 1.00 2.43 C ATOM 326 CD1 ILE A 49 -11.869 -4.329 8.939 1.00 2.59 C ATOM 0 H ILE A 49 -11.442 -6.359 6.139 1.00 1.50 H new ATOM 0 HA ILE A 49 -13.542 -4.649 6.917 1.00 1.74 H new ATOM 0 HB ILE A 49 -11.049 -4.100 5.577 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -10.773 -5.526 7.557 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -10.121 -3.916 7.791 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -11.286 -1.940 6.771 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -12.604 -2.203 5.605 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -12.893 -2.445 7.344 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -11.292 -4.687 9.792 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -12.122 -3.279 9.087 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -12.784 -4.914 8.849 1.00 2.59 H new ATOM 338 N THR A 50 -12.591 -4.305 3.750 1.00 1.71 N ATOM 339 CA THR A 50 -13.050 -3.877 2.440 1.00 1.95 C ATOM 340 C THR A 50 -13.520 -5.065 1.612 1.00 1.90 C ATOM 341 O THR A 50 -14.672 -5.116 1.181 1.00 2.37 O ATOM 342 CB THR A 50 -12.091 -3.237 1.800 1.00 2.44 C ATOM 343 OG1 THR A 50 -11.525 -2.242 2.667 1.00 3.41 O ATOM 344 CG2 THR A 50 -12.604 -2.574 0.530 1.00 2.45 C ATOM 0 H THR A 50 -11.609 -4.577 3.787 1.00 1.71 H new ATOM 0 HA THR A 50 -13.892 -3.201 2.586 1.00 1.95 H new ATOM 0 HB THR A 50 -11.333 -3.965 1.512 1.00 2.44 H new ATOM 0 HG1 THR A 50 -10.731 -2.607 3.110 1.00 3.41 H new ATOM 0 HG21 THR A 50 -11.783 -2.057 0.032 1.00 2.45 H new ATOM 0 HG22 THR A 50 -13.013 -3.333 -0.137 1.00 2.45 H new ATOM 0 HG23 THR A 50 -13.384 -1.856 0.784 1.00 2.45 H new ATOM 352 N GLY A 51 -12.640 -6.035 1.422 1.00 1.87 N ATOM 353 CA GLY A 51 -12.979 -7.193 0.626 1.00 2.32 C ATOM 354 C GLY A 51 -11.947 -7.472 -0.443 1.00 1.77 C ATOM 355 O GLY A 51 -12.289 -7.783 -1.585 1.00 2.08 O ATOM 0 H GLY A 51 -11.695 -6.040 1.806 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -13.072 -8.064 1.275 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -13.952 -7.039 0.159 1.00 2.32 H new ATOM 359 N ARG A 52 -10.679 -7.351 -0.082 1.00 1.46 N ATOM 360 CA ARG A 52 -9.597 -7.630 -1.013 1.00 1.09 C ATOM 361 C ARG A 52 -8.897 -8.922 -0.635 1.00 1.03 C ATOM 362 O ARG A 52 -8.496 -9.105 0.516 1.00 1.29 O ATOM 363 CB ARG A 52 -8.604 -6.467 -1.057 1.00 1.22 C ATOM 364 CG ARG A 52 -9.214 -5.195 -1.621 1.00 1.55 C ATOM 365 CD ARG A 52 -9.807 -5.450 -2.998 1.00 1.67 C ATOM 366 NE ARG A 52 -10.585 -4.320 -3.500 1.00 1.96 N ATOM 367 CZ ARG A 52 -11.835 -4.430 -3.950 1.00 2.47 C ATOM 368 NH1 ARG A 52 -12.463 -5.598 -3.888 1.00 2.72 N ATOM 369 NH2 ARG A 52 -12.456 -3.371 -4.452 1.00 3.14 N ATOM 0 H ARG A 52 -10.374 -7.062 0.847 1.00 1.46 H new ATOM 0 HA ARG A 52 -10.022 -7.746 -2.010 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -8.234 -6.272 -0.050 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -7.744 -6.752 -1.663 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -9.989 -4.827 -0.948 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -8.453 -4.418 -1.685 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -9.002 -5.671 -3.699 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -10.444 -6.333 -2.956 1.00 1.67 H new ATOM 0 HE ARG A 52 -10.149 -3.398 -3.507 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -11.989 -6.412 -3.496 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -13.419 -5.682 -4.232 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -11.977 -2.471 -4.494 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -13.412 -3.456 -4.796 1.00 3.14 H new ATOM 383 N ASP A 53 -8.772 -9.812 -1.609 1.00 0.94 N ATOM 384 CA ASP A 53 -8.187 -11.125 -1.383 1.00 1.00 C ATOM 385 C ASP A 53 -6.712 -10.992 -1.023 1.00 0.89 C ATOM 386 O ASP A 53 -5.962 -10.274 -1.687 1.00 0.82 O ATOM 387 CB ASP A 53 -8.347 -12.008 -2.621 1.00 1.18 C ATOM 388 CG ASP A 53 -8.016 -13.458 -2.338 1.00 1.55 C ATOM 389 OD1 ASP A 53 -6.811 -13.783 -2.240 1.00 1.90 O ATOM 390 OD2 ASP A 53 -8.953 -14.279 -2.218 1.00 2.10 O ATOM 0 H ASP A 53 -9.071 -9.646 -2.570 1.00 0.94 H new ATOM 0 HA ASP A 53 -8.713 -11.595 -0.552 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -9.371 -11.936 -2.986 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -7.699 -11.638 -3.415 1.00 1.18 H new ATOM 395 N PRO A 54 -6.281 -11.691 0.032 1.00 1.02 N ATOM 396 CA PRO A 54 -4.941 -11.543 0.589 1.00 1.10 C ATOM 397 C PRO A 54 -3.836 -12.168 -0.262 1.00 1.03 C ATOM 398 O PRO A 54 -2.655 -11.907 -0.028 1.00 1.68 O ATOM 399 CB PRO A 54 -5.026 -12.267 1.945 1.00 1.35 C ATOM 400 CG PRO A 54 -6.471 -12.590 2.145 1.00 1.43 C ATOM 401 CD PRO A 54 -7.066 -12.675 0.779 1.00 1.25 C ATOM 0 HA PRO A 54 -4.671 -10.489 0.651 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -4.420 -13.173 1.943 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -4.652 -11.634 2.750 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -6.590 -13.531 2.682 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -6.964 -11.820 2.738 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -6.972 -13.675 0.356 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -8.128 -12.429 0.783 1.00 1.25 H new ATOM 409 N LYS A 55 -4.203 -12.984 -1.242 1.00 0.89 N ATOM 410 CA LYS A 55 -3.203 -13.749 -1.986 1.00 0.96 C ATOM 411 C LYS A 55 -3.349 -13.634 -3.505 1.00 0.82 C ATOM 412 O LYS A 55 -2.489 -14.111 -4.244 1.00 0.92 O ATOM 413 CB LYS A 55 -3.251 -15.219 -1.571 1.00 1.26 C ATOM 414 CG LYS A 55 -2.846 -15.452 -0.123 1.00 1.53 C ATOM 415 CD LYS A 55 -2.907 -16.923 0.253 1.00 2.06 C ATOM 416 CE LYS A 55 -4.314 -17.478 0.115 1.00 2.89 C ATOM 417 NZ LYS A 55 -4.393 -18.898 0.543 1.00 3.61 N ATOM 0 H LYS A 55 -5.167 -13.134 -1.539 1.00 0.89 H new ATOM 0 HA LYS A 55 -2.236 -13.315 -1.733 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -4.261 -15.599 -1.724 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -2.592 -15.794 -2.222 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -1.834 -15.078 0.036 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -3.503 -14.882 0.534 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -2.228 -17.490 -0.383 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -2.564 -17.051 1.280 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -5.001 -16.880 0.714 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -4.638 -17.393 -0.922 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -5.369 -19.240 0.434 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -3.757 -19.474 -0.045 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -4.108 -18.976 1.540 1.00 3.61 H new ATOM 431 N GLN A 56 -4.415 -13.007 -3.985 1.00 0.72 N ATOM 432 CA GLN A 56 -4.580 -12.832 -5.429 1.00 0.73 C ATOM 433 C GLN A 56 -3.653 -11.742 -5.953 1.00 0.63 C ATOM 434 O GLN A 56 -3.446 -11.616 -7.158 1.00 0.79 O ATOM 435 CB GLN A 56 -6.021 -12.472 -5.796 1.00 0.87 C ATOM 436 CG GLN A 56 -7.045 -13.521 -5.407 1.00 1.32 C ATOM 437 CD GLN A 56 -6.736 -14.901 -5.952 1.00 1.92 C ATOM 438 OE1 GLN A 56 -6.123 -15.051 -7.011 1.00 2.50 O ATOM 439 NE2 GLN A 56 -7.161 -15.922 -5.229 1.00 2.41 N ATOM 0 H GLN A 56 -5.165 -12.618 -3.414 1.00 0.72 H new ATOM 0 HA GLN A 56 -4.327 -13.786 -5.891 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.282 -11.530 -5.314 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.079 -12.306 -6.872 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -7.104 -13.574 -4.320 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -8.026 -13.209 -5.765 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -7.665 -15.755 -4.358 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -6.985 -16.877 -5.542 1.00 2.41 H new ATOM 448 N VAL A 57 -3.083 -10.972 -5.038 1.00 0.52 N ATOM 449 CA VAL A 57 -2.298 -9.794 -5.395 1.00 0.48 C ATOM 450 C VAL A 57 -0.824 -10.099 -5.636 1.00 0.55 C ATOM 451 O VAL A 57 -0.002 -9.189 -5.685 1.00 0.97 O ATOM 452 CB VAL A 57 -2.384 -8.856 -4.468 1.00 0.52 C ATOM 453 CG1 VAL A 57 -3.732 -8.152 -4.556 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.173 -9.432 -3.072 1.00 0.58 C ATOM 0 H VAL A 57 -3.149 -11.142 -4.034 1.00 0.52 H new ATOM 0 HA VAL A 57 -2.731 -9.441 -6.331 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.592 -8.129 -4.650 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -3.791 -7.381 -3.787 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -3.839 -7.693 -5.539 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.532 -8.877 -4.405 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.250 -8.634 -2.334 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -2.933 -10.187 -2.871 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.185 -9.887 -3.012 1.00 0.58 H new ATOM 464 N ILE A 58 -0.479 -11.364 -5.785 1.00 0.51 N ATOM 465 CA ILE A 58 0.918 -11.724 -5.968 1.00 0.57 C ATOM 466 C ILE A 58 1.320 -11.538 -7.422 1.00 0.57 C ATOM 467 O ILE A 58 0.595 -11.950 -8.328 1.00 0.66 O ATOM 468 CB ILE A 58 1.166 -12.972 -5.586 1.00 0.70 C ATOM 469 CG1 ILE A 58 0.624 -13.230 -4.177 1.00 0.93 C ATOM 470 CG2 ILE A 58 2.667 -13.262 -5.638 1.00 1.09 C ATOM 471 CD1 ILE A 58 0.839 -14.647 -3.691 1.00 1.01 C ATOM 0 H ILE A 58 -1.131 -12.148 -5.784 1.00 0.51 H new ATOM 0 HA ILE A 58 1.510 -11.062 -5.336 1.00 0.57 H new ATOM 0 HB ILE A 58 0.657 -13.644 -6.277 1.00 0.70 H new ATOM 0 HG12 ILE A 58 1.103 -12.541 -3.482 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.443 -13.008 -4.162 1.00 0.93 H new ATOM 0 HG21 ILE A 58 2.850 -14.289 -5.322 1.00 1.09 H new ATOM 0 HG22 ILE A 58 3.029 -13.126 -6.657 1.00 1.09 H new ATOM 0 HG23 ILE A 58 3.193 -12.578 -4.972 1.00 1.09 H new ATOM 0 HD11 ILE A 58 0.429 -14.753 -2.687 1.00 1.01 H new ATOM 0 HD12 ILE A 58 0.337 -15.342 -4.363 1.00 1.01 H new ATOM 0 HD13 ILE A 58 1.906 -14.867 -3.673 1.00 1.01 H new ATOM 483 N GLY A 59 2.448 -10.865 -7.640 1.00 0.59 N ATOM 484 CA GLY A 59 2.873 -10.551 -8.987 1.00 0.66 C ATOM 485 C GLY A 59 1.923 -9.584 -9.641 1.00 0.56 C ATOM 486 O GLY A 59 1.782 -9.552 -10.862 1.00 0.65 O ATOM 0 H GLY A 59 3.073 -10.533 -6.905 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.875 -10.123 -8.965 1.00 0.66 H new ATOM 0 HA3 GLY A 59 2.930 -11.466 -9.577 1.00 0.66 H new ATOM 490 N LYS A 60 1.266 -8.801 -8.809 1.00 0.48 N ATOM 491 CA LYS A 60 0.297 -7.838 -9.266 1.00 0.45 C ATOM 492 C LYS A 60 0.697 -6.443 -8.824 1.00 0.38 C ATOM 493 O LYS A 60 1.073 -6.240 -7.672 1.00 0.43 O ATOM 494 CB LYS A 60 -1.078 -8.195 -8.717 1.00 0.49 C ATOM 495 CG LYS A 60 -1.939 -8.974 -9.694 1.00 0.80 C ATOM 496 CD LYS A 60 -3.362 -9.124 -9.184 1.00 1.12 C ATOM 497 CE LYS A 60 -4.252 -9.803 -10.212 1.00 1.27 C ATOM 498 NZ LYS A 60 -4.299 -9.051 -11.494 1.00 1.82 N ATOM 0 H LYS A 60 1.392 -8.818 -7.797 1.00 0.48 H new ATOM 0 HA LYS A 60 0.259 -7.857 -10.355 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -0.955 -8.781 -7.806 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.598 -7.278 -8.438 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -1.948 -8.465 -10.658 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -1.504 -9.960 -9.858 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -3.360 -9.705 -8.262 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -3.768 -8.142 -8.941 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -3.886 -10.813 -10.398 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -5.261 -9.899 -9.811 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -4.819 -9.606 -12.203 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -4.781 -8.141 -11.345 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -3.330 -8.879 -11.831 1.00 1.82 H new ATOM 512 N ASN A 61 0.617 -5.488 -9.734 1.00 0.43 N ATOM 513 CA ASN A 61 1.026 -4.130 -9.430 1.00 0.42 C ATOM 514 C ASN A 61 -0.076 -3.404 -8.670 1.00 0.39 C ATOM 515 O ASN A 61 -1.167 -3.181 -9.200 1.00 0.42 O ATOM 516 CB ASN A 61 1.380 -3.366 -10.707 1.00 0.52 C ATOM 517 CG ASN A 61 2.104 -2.066 -10.410 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.482 -1.028 -10.196 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.428 -2.114 -10.402 1.00 0.71 N ATOM 0 H ASN A 61 0.274 -5.627 -10.685 1.00 0.43 H new ATOM 0 HA ASN A 61 1.916 -4.176 -8.803 1.00 0.42 H new ATOM 0 HB2 ASN A 61 2.006 -3.992 -11.342 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.469 -3.154 -11.267 1.00 0.52 H new ATOM 0 HD21 ASN A 61 3.968 -1.269 -10.213 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.907 -2.996 -10.584 1.00 0.71 H new ATOM 526 N PHE A 62 0.217 -3.059 -7.424 1.00 0.38 N ATOM 527 CA PHE A 62 -0.725 -2.366 -6.550 1.00 0.40 C ATOM 528 C PHE A 62 -1.242 -1.082 -7.195 1.00 0.47 C ATOM 529 O PHE A 62 -2.433 -0.786 -7.133 1.00 0.70 O ATOM 530 CB PHE A 62 -0.041 -2.048 -5.214 1.00 0.43 C ATOM 531 CG PHE A 62 -0.911 -1.332 -4.219 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.722 0.016 -3.958 1.00 0.51 C ATOM 533 CD2 PHE A 62 -1.928 -2.002 -3.559 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.527 0.681 -3.055 1.00 0.55 C ATOM 535 CE2 PHE A 62 -2.736 -1.343 -2.653 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.505 -0.017 -2.361 1.00 0.53 C ATOM 0 H PHE A 62 1.118 -3.252 -6.987 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.581 -3.018 -6.379 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.307 -2.980 -4.768 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.842 -1.439 -5.409 1.00 0.43 H new ATOM 0 HD1 PHE A 62 0.065 0.553 -4.467 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.091 -3.051 -3.755 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.396 1.740 -2.889 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -3.549 -1.868 -2.173 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.083 0.478 -1.595 1.00 0.53 H new ATOM 546 N PHE A 63 -0.350 -0.352 -7.850 1.00 0.46 N ATOM 547 CA PHE A 63 -0.680 0.960 -8.399 1.00 0.55 C ATOM 548 C PHE A 63 -1.415 0.841 -9.732 1.00 0.66 C ATOM 549 O PHE A 63 -1.714 1.843 -10.379 1.00 0.91 O ATOM 550 CB PHE A 63 0.596 1.784 -8.577 1.00 0.57 C ATOM 551 CG PHE A 63 1.396 1.923 -7.313 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.414 1.029 -7.022 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.126 2.942 -6.416 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.149 1.150 -5.858 1.00 1.10 C ATOM 555 CE2 PHE A 63 1.857 3.067 -5.251 1.00 1.04 C ATOM 556 CZ PHE A 63 2.870 2.170 -4.970 1.00 1.16 C ATOM 0 H PHE A 63 0.613 -0.646 -8.016 1.00 0.46 H new ATOM 0 HA PHE A 63 -1.344 1.462 -7.695 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.217 1.318 -9.342 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.331 2.776 -8.942 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.635 0.229 -7.713 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.336 3.646 -6.629 1.00 0.77 H new ATOM 0 HE1 PHE A 63 3.941 0.448 -5.643 1.00 1.10 H new ATOM 0 HE2 PHE A 63 1.637 3.866 -4.559 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.442 2.266 -4.059 1.00 1.16 H new ATOM 566 N LYS A 64 -1.702 -0.384 -10.139 1.00 0.57 N ATOM 567 CA LYS A 64 -2.423 -0.625 -11.376 1.00 0.72 C ATOM 568 C LYS A 64 -3.696 -1.411 -11.078 1.00 0.72 C ATOM 569 O LYS A 64 -4.793 -1.024 -11.480 1.00 0.90 O ATOM 570 CB LYS A 64 -1.529 -1.394 -12.362 1.00 0.82 C ATOM 571 CG LYS A 64 -1.966 -1.319 -13.827 1.00 1.56 C ATOM 572 CD LYS A 64 -3.265 -2.070 -14.093 1.00 2.11 C ATOM 573 CE LYS A 64 -3.131 -3.555 -13.791 1.00 2.85 C ATOM 574 NZ LYS A 64 -4.434 -4.264 -13.899 1.00 3.58 N ATOM 0 H LYS A 64 -1.446 -1.229 -9.629 1.00 0.57 H new ATOM 0 HA LYS A 64 -2.696 0.327 -11.831 1.00 0.72 H new ATOM 0 HB2 LYS A 64 -0.512 -1.010 -12.282 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -1.499 -2.441 -12.061 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -2.090 -0.274 -14.112 1.00 1.56 H new ATOM 0 HG3 LYS A 64 -1.178 -1.730 -14.458 1.00 1.56 H new ATOM 0 HD2 LYS A 64 -4.062 -1.645 -13.482 1.00 2.11 H new ATOM 0 HD3 LYS A 64 -3.556 -1.936 -15.135 1.00 2.11 H new ATOM 0 HE2 LYS A 64 -2.416 -4.003 -14.481 1.00 2.85 H new ATOM 0 HE3 LYS A 64 -2.729 -3.686 -12.786 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 -4.445 -5.071 -13.243 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 -5.206 -3.610 -13.657 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 -4.563 -4.607 -14.872 1.00 3.58 H new ATOM 588 N ASP A 65 -3.536 -2.515 -10.361 1.00 0.60 N ATOM 589 CA ASP A 65 -4.638 -3.429 -10.091 1.00 0.69 C ATOM 590 C ASP A 65 -5.597 -2.879 -9.042 1.00 0.74 C ATOM 591 O ASP A 65 -6.665 -2.369 -9.375 1.00 1.10 O ATOM 592 CB ASP A 65 -4.114 -4.803 -9.656 1.00 0.79 C ATOM 593 CG ASP A 65 -4.279 -5.859 -10.733 1.00 1.38 C ATOM 594 OD1 ASP A 65 -3.432 -5.924 -11.647 1.00 1.50 O ATOM 595 OD2 ASP A 65 -5.262 -6.625 -10.679 1.00 2.20 O ATOM 0 H ASP A 65 -2.646 -2.801 -9.953 1.00 0.60 H new ATOM 0 HA ASP A 65 -5.193 -3.538 -11.023 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -3.059 -4.719 -9.394 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -4.642 -5.121 -8.757 1.00 0.79 H new ATOM 600 N VAL A 66 -5.214 -2.972 -7.774 1.00 0.70 N ATOM 601 CA VAL A 66 -6.146 -2.699 -6.685 1.00 0.82 C ATOM 602 C VAL A 66 -6.018 -1.258 -6.171 1.00 0.70 C ATOM 603 O VAL A 66 -6.489 -0.934 -5.084 1.00 0.80 O ATOM 604 CB VAL A 66 -5.977 -3.547 -5.667 1.00 1.05 C ATOM 605 CG1 VAL A 66 -7.255 -3.669 -4.842 1.00 1.45 C ATOM 606 CG2 VAL A 66 -5.525 -4.924 -6.141 1.00 1.77 C ATOM 0 H VAL A 66 -4.274 -3.232 -7.476 1.00 0.70 H new ATOM 0 HA VAL A 66 -7.145 -2.836 -7.098 1.00 0.82 H new ATOM 0 HB VAL A 66 -5.188 -3.136 -5.038 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -7.092 -4.365 -4.019 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -7.525 -2.691 -4.442 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -8.063 -4.038 -5.474 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -5.400 -5.582 -5.281 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -6.276 -5.342 -6.812 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -4.576 -4.833 -6.670 1.00 1.77 H new ATOM 616 N ALA A 67 -5.378 -0.390 -6.948 1.00 0.56 N ATOM 617 CA ALA A 67 -5.236 1.009 -6.553 1.00 0.53 C ATOM 618 C ALA A 67 -4.713 1.877 -7.697 1.00 0.49 C ATOM 619 O ALA A 67 -3.531 2.217 -7.743 1.00 0.61 O ATOM 620 CB ALA A 67 -4.323 1.136 -5.340 1.00 0.60 C ATOM 0 H ALA A 67 -4.953 -0.626 -7.845 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.230 1.370 -6.291 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.231 2.186 -5.062 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.746 0.576 -4.506 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.338 0.737 -5.583 1.00 0.60 H new ATOM 626 N PRO A 68 -5.583 2.222 -8.656 1.00 0.44 N ATOM 627 CA PRO A 68 -5.246 3.119 -9.746 1.00 0.47 C ATOM 628 C PRO A 68 -5.694 4.566 -9.499 1.00 0.55 C ATOM 629 O PRO A 68 -5.967 5.304 -10.447 1.00 0.81 O ATOM 630 CB PRO A 68 -6.019 2.507 -10.914 1.00 0.56 C ATOM 631 CG PRO A 68 -7.173 1.766 -10.301 1.00 0.69 C ATOM 632 CD PRO A 68 -6.946 1.715 -8.806 1.00 0.47 C ATOM 0 HA PRO A 68 -4.170 3.198 -9.900 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.370 3.280 -11.598 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.385 1.834 -11.492 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -8.114 2.268 -10.528 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -7.242 0.759 -10.712 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.666 2.332 -8.268 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -7.043 0.701 -8.419 1.00 0.47 H new ATOM 640 N CYS A 69 -5.770 4.974 -8.233 1.00 0.51 N ATOM 641 CA CYS A 69 -6.064 6.367 -7.901 1.00 0.61 C ATOM 642 C CYS A 69 -4.919 6.948 -7.082 1.00 0.59 C ATOM 643 O CYS A 69 -4.989 8.084 -6.610 1.00 0.81 O ATOM 644 CB CYS A 69 -7.393 6.514 -7.142 1.00 0.85 C ATOM 645 SG CYS A 69 -7.344 6.040 -5.377 1.00 0.81 S ATOM 0 H CYS A 69 -5.633 4.365 -7.426 1.00 0.51 H new ATOM 0 HA CYS A 69 -6.167 6.919 -8.835 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -7.720 7.551 -7.213 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -8.147 5.907 -7.643 1.00 0.85 H new ATOM 0 HG CYS A 69 -6.285 5.321 -5.150 1.00 0.81 H new ATOM 650 N THR A 70 -3.768 6.320 -7.244 1.00 0.61 N ATOM 651 CA THR A 70 -2.942 5.942 -6.122 1.00 0.58 C ATOM 652 C THR A 70 -1.486 6.264 -6.434 1.00 0.55 C ATOM 653 O THR A 70 -0.775 6.845 -5.613 1.00 0.64 O ATOM 654 CB THR A 70 -3.077 4.654 -5.875 1.00 0.63 C ATOM 655 OG1 THR A 70 -4.469 4.336 -5.720 1.00 1.33 O ATOM 656 CG2 THR A 70 -2.324 4.245 -4.626 1.00 1.07 C ATOM 0 H THR A 70 -3.385 6.061 -8.153 1.00 0.61 H new ATOM 0 HA THR A 70 -3.254 6.501 -5.240 1.00 0.58 H new ATOM 0 HB THR A 70 -2.659 4.105 -6.718 1.00 0.63 H new ATOM 0 HG1 THR A 70 -4.682 4.257 -4.767 1.00 1.33 H new ATOM 0 HG21 THR A 70 -2.458 3.177 -4.454 1.00 1.07 H new ATOM 0 HG22 THR A 70 -1.263 4.462 -4.753 1.00 1.07 H new ATOM 0 HG23 THR A 70 -2.708 4.801 -3.771 1.00 1.07 H new ATOM 664 N ASP A 71 -1.058 5.927 -7.650 1.00 0.55 N ATOM 665 CA ASP A 71 0.281 6.282 -8.099 1.00 0.63 C ATOM 666 C ASP A 71 0.363 7.794 -8.287 1.00 0.70 C ATOM 667 O ASP A 71 -0.392 8.383 -9.063 1.00 0.88 O ATOM 668 CB ASP A 71 0.657 5.536 -9.393 1.00 0.76 C ATOM 669 CG ASP A 71 -0.215 5.892 -10.582 1.00 0.96 C ATOM 670 OD1 ASP A 71 -1.438 5.624 -10.529 1.00 1.85 O ATOM 671 OD2 ASP A 71 0.310 6.450 -11.569 1.00 1.34 O ATOM 0 H ASP A 71 -1.615 5.414 -8.333 1.00 0.55 H new ATOM 0 HA ASP A 71 1.001 5.977 -7.340 1.00 0.63 H new ATOM 0 HB2 ASP A 71 1.696 5.755 -9.638 1.00 0.76 H new ATOM 0 HB3 ASP A 71 0.591 4.463 -9.215 1.00 0.76 H new ATOM 676 N SER A 72 1.263 8.419 -7.543 1.00 0.66 N ATOM 677 CA SER A 72 1.341 9.870 -7.487 1.00 0.77 C ATOM 678 C SER A 72 2.625 10.290 -6.779 1.00 0.76 C ATOM 679 O SER A 72 3.231 9.485 -6.076 1.00 0.71 O ATOM 680 CB SER A 72 0.120 10.418 -6.740 1.00 0.88 C ATOM 681 OG SER A 72 -0.011 9.802 -5.470 1.00 1.56 O ATOM 0 H SER A 72 1.954 7.939 -6.966 1.00 0.66 H new ATOM 0 HA SER A 72 1.350 10.274 -8.499 1.00 0.77 H new ATOM 0 HB2 SER A 72 0.217 11.497 -6.618 1.00 0.88 H new ATOM 0 HB3 SER A 72 -0.781 10.243 -7.329 1.00 0.88 H new ATOM 0 HG SER A 72 -0.961 9.688 -5.258 1.00 1.56 H new ATOM 687 N PRO A 73 3.066 11.545 -6.951 1.00 0.90 N ATOM 688 CA PRO A 73 4.285 12.045 -6.304 1.00 0.99 C ATOM 689 C PRO A 73 4.207 12.004 -4.776 1.00 0.96 C ATOM 690 O PRO A 73 5.218 11.806 -4.102 1.00 1.05 O ATOM 691 CB PRO A 73 4.388 13.495 -6.792 1.00 1.13 C ATOM 692 CG PRO A 73 3.553 13.549 -8.023 1.00 1.17 C ATOM 693 CD PRO A 73 2.438 12.571 -7.804 1.00 1.05 C ATOM 0 HA PRO A 73 5.149 11.431 -6.558 1.00 0.99 H new ATOM 0 HB2 PRO A 73 4.024 14.192 -6.037 1.00 1.13 H new ATOM 0 HB3 PRO A 73 5.422 13.767 -7.004 1.00 1.13 H new ATOM 0 HG2 PRO A 73 3.165 14.554 -8.188 1.00 1.17 H new ATOM 0 HG3 PRO A 73 4.138 13.284 -8.904 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.583 13.036 -7.314 1.00 1.05 H new ATOM 0 HD3 PRO A 73 2.078 12.151 -8.743 1.00 1.05 H new ATOM 701 N GLU A 74 3.003 12.168 -4.237 1.00 0.91 N ATOM 702 CA GLU A 74 2.823 12.246 -2.791 1.00 0.96 C ATOM 703 C GLU A 74 2.544 10.876 -2.172 1.00 0.93 C ATOM 704 O GLU A 74 2.455 10.750 -0.952 1.00 1.25 O ATOM 705 CB GLU A 74 1.702 13.230 -2.446 1.00 1.07 C ATOM 706 CG GLU A 74 0.376 12.930 -3.131 1.00 0.90 C ATOM 707 CD GLU A 74 -0.673 13.983 -2.839 1.00 1.59 C ATOM 708 OE1 GLU A 74 -1.435 13.810 -1.864 1.00 2.56 O ATOM 709 OE2 GLU A 74 -0.753 14.982 -3.587 1.00 1.58 O ATOM 0 H GLU A 74 2.141 12.249 -4.776 1.00 0.91 H new ATOM 0 HA GLU A 74 3.758 12.609 -2.365 1.00 0.96 H new ATOM 0 HB2 GLU A 74 1.550 13.226 -1.367 1.00 1.07 H new ATOM 0 HB3 GLU A 74 2.020 14.236 -2.719 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.532 12.865 -4.208 1.00 0.90 H new ATOM 0 HG3 GLU A 74 0.012 11.957 -2.802 1.00 0.90 H new ATOM 716 N PHE A 75 2.409 9.852 -3.005 1.00 0.80 N ATOM 717 CA PHE A 75 2.238 8.492 -2.503 1.00 0.79 C ATOM 718 C PHE A 75 3.302 7.576 -3.094 1.00 0.66 C ATOM 719 O PHE A 75 4.222 7.151 -2.396 1.00 0.66 O ATOM 720 CB PHE A 75 0.839 7.954 -2.823 1.00 0.87 C ATOM 721 CG PHE A 75 0.552 6.610 -2.205 1.00 1.53 C ATOM 722 CD1 PHE A 75 0.746 5.444 -2.929 1.00 2.26 C ATOM 723 CD2 PHE A 75 0.085 6.511 -0.903 1.00 1.74 C ATOM 724 CE1 PHE A 75 0.481 4.209 -2.370 1.00 3.20 C ATOM 725 CE2 PHE A 75 -0.182 5.277 -0.339 1.00 2.61 C ATOM 726 CZ PHE A 75 0.028 4.131 -1.052 1.00 3.36 C ATOM 0 H PHE A 75 2.414 9.934 -4.022 1.00 0.80 H new ATOM 0 HA PHE A 75 2.350 8.516 -1.419 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.095 8.671 -2.475 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.727 7.878 -3.905 1.00 0.87 H new ATOM 0 HD1 PHE A 75 1.109 5.502 -3.944 1.00 2.26 H new ATOM 0 HD2 PHE A 75 -0.072 7.408 -0.323 1.00 1.74 H new ATOM 0 HE1 PHE A 75 0.623 3.309 -2.949 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -0.559 5.219 0.671 1.00 2.61 H new ATOM 0 HZ PHE A 75 -0.156 3.169 -0.598 1.00 3.36 H new ATOM 736 N TYR A 76 3.183 7.289 -4.387 1.00 0.59 N ATOM 737 CA TYR A 76 4.161 6.458 -5.084 1.00 0.50 C ATOM 738 C TYR A 76 5.541 7.103 -5.024 1.00 0.47 C ATOM 739 O TYR A 76 6.548 6.422 -4.848 1.00 0.49 O ATOM 740 CB TYR A 76 3.743 6.235 -6.543 1.00 0.51 C ATOM 741 CG TYR A 76 4.742 5.435 -7.348 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.600 6.056 -8.249 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.835 4.059 -7.198 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.522 5.324 -8.973 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.751 3.320 -7.920 1.00 0.59 C ATOM 746 CZ TYR A 76 6.594 3.957 -8.805 1.00 0.65 C ATOM 747 OH TYR A 76 7.520 3.229 -9.516 1.00 0.79 O ATOM 0 H TYR A 76 2.418 7.620 -4.975 1.00 0.59 H new ATOM 0 HA TYR A 76 4.203 5.489 -4.587 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.781 5.722 -6.561 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.597 7.203 -7.022 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.545 7.126 -8.385 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.178 3.556 -6.503 1.00 0.51 H new ATOM 0 HE1 TYR A 76 7.183 5.820 -9.668 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.807 2.249 -7.792 1.00 0.59 H new ATOM 0 HH TYR A 76 7.441 2.281 -9.281 1.00 0.79 H new ATOM 757 N GLY A 77 5.574 8.423 -5.164 1.00 0.48 N ATOM 758 CA GLY A 77 6.825 9.152 -5.077 1.00 0.50 C ATOM 759 C GLY A 77 7.489 8.991 -3.725 1.00 0.52 C ATOM 760 O GLY A 77 8.703 8.822 -3.640 1.00 0.60 O ATOM 0 H GLY A 77 4.753 9.003 -5.337 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.502 8.802 -5.856 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.641 10.210 -5.266 1.00 0.50 H new ATOM 764 N LYS A 78 6.686 9.012 -2.668 1.00 0.53 N ATOM 765 CA LYS A 78 7.199 8.855 -1.312 1.00 0.60 C ATOM 766 C LYS A 78 7.599 7.406 -1.062 1.00 0.59 C ATOM 767 O LYS A 78 8.459 7.116 -0.233 1.00 0.66 O ATOM 768 CB LYS A 78 6.156 9.309 -0.288 1.00 0.69 C ATOM 769 CG LYS A 78 5.733 10.758 -0.465 1.00 0.77 C ATOM 770 CD LYS A 78 6.934 11.687 -0.435 1.00 1.17 C ATOM 771 CE LYS A 78 6.541 13.122 -0.734 1.00 1.41 C ATOM 772 NZ LYS A 78 7.722 14.025 -0.758 1.00 2.09 N ATOM 0 H LYS A 78 5.675 9.136 -2.724 1.00 0.53 H new ATOM 0 HA LYS A 78 8.083 9.482 -1.201 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.277 8.669 -0.366 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.560 9.175 0.716 1.00 0.69 H new ATOM 0 HG2 LYS A 78 5.205 10.873 -1.411 1.00 0.77 H new ATOM 0 HG3 LYS A 78 5.035 11.035 0.325 1.00 0.77 H new ATOM 0 HD2 LYS A 78 7.409 11.636 0.545 1.00 1.17 H new ATOM 0 HD3 LYS A 78 7.672 11.352 -1.164 1.00 1.17 H new ATOM 0 HE2 LYS A 78 6.030 13.166 -1.696 1.00 1.41 H new ATOM 0 HE3 LYS A 78 5.833 13.469 0.019 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 7.412 14.996 -0.965 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 8.195 14.003 0.168 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 8.386 13.709 -1.493 1.00 2.09 H new ATOM 786 N PHE A 79 6.965 6.506 -1.794 1.00 0.52 N ATOM 787 CA PHE A 79 7.320 5.096 -1.772 1.00 0.50 C ATOM 788 C PHE A 79 8.702 4.889 -2.385 1.00 0.51 C ATOM 789 O PHE A 79 9.480 4.053 -1.938 1.00 0.56 O ATOM 790 CB PHE A 79 6.263 4.296 -2.536 1.00 0.48 C ATOM 791 CG PHE A 79 6.602 2.848 -2.696 1.00 0.51 C ATOM 792 CD1 PHE A 79 6.609 2.000 -1.602 1.00 0.62 C ATOM 793 CD2 PHE A 79 6.896 2.333 -3.943 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.905 0.662 -1.754 1.00 0.67 C ATOM 795 CE2 PHE A 79 7.196 1.001 -4.101 1.00 0.61 C ATOM 796 CZ PHE A 79 7.262 0.175 -2.976 1.00 0.65 C ATOM 0 H PHE A 79 6.191 6.731 -2.419 1.00 0.52 H new ATOM 0 HA PHE A 79 7.353 4.746 -0.740 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.309 4.381 -2.015 1.00 0.48 H new ATOM 0 HB3 PHE A 79 6.128 4.739 -3.523 1.00 0.48 H new ATOM 0 HD1 PHE A 79 6.381 2.390 -0.621 1.00 0.62 H new ATOM 0 HD2 PHE A 79 6.890 2.985 -4.804 1.00 0.53 H new ATOM 0 HE1 PHE A 79 6.854 -0.001 -0.903 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.379 0.597 -5.086 1.00 0.61 H new ATOM 0 HZ PHE A 79 7.595 -0.848 -3.074 1.00 0.65 H new ATOM 806 N LYS A 80 9.010 5.678 -3.396 1.00 0.51 N ATOM 807 CA LYS A 80 10.277 5.550 -4.105 1.00 0.58 C ATOM 808 C LYS A 80 11.384 6.319 -3.389 1.00 0.63 C ATOM 809 O LYS A 80 12.568 6.104 -3.658 1.00 0.66 O ATOM 810 CB LYS A 80 10.140 6.035 -5.552 1.00 0.64 C ATOM 811 CG LYS A 80 9.049 5.314 -6.334 1.00 0.69 C ATOM 812 CD LYS A 80 9.267 3.806 -6.360 1.00 0.72 C ATOM 813 CE LYS A 80 10.418 3.408 -7.272 1.00 0.93 C ATOM 814 NZ LYS A 80 10.119 3.674 -8.707 1.00 1.09 N ATOM 0 H LYS A 80 8.402 6.417 -3.749 1.00 0.51 H new ATOM 0 HA LYS A 80 10.548 4.494 -4.118 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.928 7.104 -5.550 1.00 0.64 H new ATOM 0 HB3 LYS A 80 11.093 5.900 -6.064 1.00 0.64 H new ATOM 0 HG2 LYS A 80 8.079 5.532 -5.888 1.00 0.69 H new ATOM 0 HG3 LYS A 80 9.023 5.694 -7.355 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.468 3.452 -5.349 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.354 3.314 -6.695 1.00 0.72 H new ATOM 0 HE2 LYS A 80 11.315 3.956 -6.982 1.00 0.93 H new ATOM 0 HE3 LYS A 80 10.635 2.348 -7.139 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 10.554 2.934 -9.295 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 9.089 3.672 -8.853 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.505 4.601 -8.976 1.00 1.09 H new ATOM 828 N GLU A 81 10.992 7.198 -2.468 1.00 0.67 N ATOM 829 CA GLU A 81 11.943 7.979 -1.676 1.00 0.78 C ATOM 830 C GLU A 81 12.943 7.070 -0.970 1.00 0.67 C ATOM 831 O GLU A 81 14.157 7.250 -1.081 1.00 0.70 O ATOM 832 CB GLU A 81 11.203 8.815 -0.628 1.00 0.94 C ATOM 833 CG GLU A 81 10.410 9.978 -1.197 1.00 1.25 C ATOM 834 CD GLU A 81 11.282 11.144 -1.602 1.00 1.57 C ATOM 835 OE1 GLU A 81 11.218 11.553 -2.781 1.00 2.07 O ATOM 836 OE2 GLU A 81 12.068 11.632 -0.764 1.00 2.04 O ATOM 0 H GLU A 81 10.014 7.389 -2.250 1.00 0.67 H new ATOM 0 HA GLU A 81 12.481 8.637 -2.359 1.00 0.78 H new ATOM 0 HB2 GLU A 81 10.525 8.165 -0.076 1.00 0.94 H new ATOM 0 HB3 GLU A 81 11.928 9.202 0.088 1.00 0.94 H new ATOM 0 HG2 GLU A 81 9.845 9.636 -2.064 1.00 1.25 H new ATOM 0 HG3 GLU A 81 9.685 10.314 -0.456 1.00 1.25 H new ATOM 843 N GLY A 82 12.421 6.086 -0.250 1.00 0.62 N ATOM 844 CA GLY A 82 13.272 5.186 0.504 1.00 0.62 C ATOM 845 C GLY A 82 14.029 4.231 -0.391 1.00 0.62 C ATOM 846 O GLY A 82 15.158 3.854 -0.091 1.00 0.72 O ATOM 0 H GLY A 82 11.422 5.895 -0.174 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.981 5.768 1.094 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.664 4.617 1.207 1.00 0.62 H new ATOM 850 N VAL A 83 13.401 3.845 -1.491 1.00 0.58 N ATOM 851 CA VAL A 83 14.018 2.955 -2.468 1.00 0.66 C ATOM 852 C VAL A 83 15.271 3.595 -3.064 1.00 0.73 C ATOM 853 O VAL A 83 16.353 3.004 -3.046 1.00 0.85 O ATOM 854 CB VAL A 83 13.176 2.666 -3.453 1.00 0.68 C ATOM 855 CG1 VAL A 83 13.763 1.599 -4.371 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.821 2.227 -2.920 1.00 0.65 C ATOM 0 H VAL A 83 12.454 4.137 -1.733 1.00 0.58 H new ATOM 0 HA VAL A 83 14.286 2.037 -1.945 1.00 0.66 H new ATOM 0 HB VAL A 83 13.025 3.577 -4.033 1.00 0.68 H new ATOM 0 HG11 VAL A 83 13.056 1.378 -5.171 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.696 1.963 -4.802 1.00 0.83 H new ATOM 0 HG13 VAL A 83 13.957 0.693 -3.798 1.00 0.83 H new ATOM 0 HG21 VAL A 83 11.158 1.999 -3.755 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.944 1.338 -2.301 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.388 3.029 -2.322 1.00 0.65 H new ATOM 866 N ALA A 84 15.120 4.826 -3.547 1.00 0.70 N ATOM 867 CA ALA A 84 16.205 5.539 -4.214 1.00 0.81 C ATOM 868 C ALA A 84 17.359 5.839 -3.261 1.00 0.92 C ATOM 869 O ALA A 84 18.489 6.065 -3.691 1.00 1.14 O ATOM 870 CB ALA A 84 15.683 6.828 -4.831 1.00 0.85 C ATOM 0 H ALA A 84 14.249 5.353 -3.488 1.00 0.70 H new ATOM 0 HA ALA A 84 16.590 4.892 -5.002 1.00 0.81 H new ATOM 0 HB1 ALA A 84 16.501 7.352 -5.326 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.908 6.594 -5.561 1.00 0.85 H new ATOM 0 HB3 ALA A 84 15.266 7.463 -4.049 1.00 0.85 H new ATOM 876 N SER A 85 17.073 5.845 -1.969 1.00 0.92 N ATOM 877 CA SER A 85 18.096 6.099 -0.972 1.00 1.12 C ATOM 878 C SER A 85 18.651 4.786 -0.413 1.00 1.16 C ATOM 879 O SER A 85 19.736 4.347 -0.798 1.00 1.40 O ATOM 880 CB SER A 85 17.536 6.987 0.143 1.00 1.38 C ATOM 881 OG SER A 85 16.240 6.563 0.539 1.00 1.82 O ATOM 0 H SER A 85 16.142 5.677 -1.588 1.00 0.92 H new ATOM 0 HA SER A 85 18.923 6.628 -1.446 1.00 1.12 H new ATOM 0 HB2 SER A 85 18.207 6.963 1.002 1.00 1.38 H new ATOM 0 HB3 SER A 85 17.494 8.021 -0.199 1.00 1.38 H new ATOM 0 HG SER A 85 15.579 6.883 -0.109 1.00 1.82 H new ATOM 887 N GLY A 86 17.900 4.159 0.477 1.00 1.12 N ATOM 888 CA GLY A 86 18.343 2.924 1.091 1.00 1.47 C ATOM 889 C GLY A 86 17.219 2.239 1.829 1.00 1.35 C ATOM 890 O GLY A 86 16.633 1.268 1.343 1.00 1.65 O ATOM 0 H GLY A 86 16.985 4.485 0.788 1.00 1.12 H new ATOM 0 HA2 GLY A 86 18.737 2.256 0.325 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.160 3.133 1.782 1.00 1.47 H new ATOM 894 N ASN A 87 16.912 2.753 3.009 1.00 1.30 N ATOM 895 CA ASN A 87 15.813 2.225 3.796 1.00 1.28 C ATOM 896 C ASN A 87 14.561 3.044 3.534 1.00 0.81 C ATOM 897 O ASN A 87 14.634 4.255 3.313 1.00 1.19 O ATOM 898 CB ASN A 87 16.138 2.232 5.300 1.00 1.94 C ATOM 899 CG ASN A 87 15.988 3.601 5.942 1.00 2.79 C ATOM 900 OD1 ASN A 87 14.910 3.958 6.425 1.00 3.50 O ATOM 901 ND2 ASN A 87 17.066 4.370 5.967 1.00 3.16 N ATOM 0 H ASN A 87 17.408 3.533 3.441 1.00 1.30 H new ATOM 0 HA ASN A 87 15.649 1.190 3.497 1.00 1.28 H new ATOM 0 HB2 ASN A 87 15.482 1.526 5.809 1.00 1.94 H new ATOM 0 HB3 ASN A 87 17.159 1.880 5.445 1.00 1.94 H new ATOM 0 HD21 ASN A 87 17.023 5.294 6.397 1.00 3.16 H new ATOM 0 HD22 ASN A 87 17.939 4.038 5.557 1.00 3.16 H new ATOM 908 N LEU A 88 13.422 2.389 3.537 1.00 0.61 N ATOM 909 CA LEU A 88 12.161 3.069 3.349 1.00 0.75 C ATOM 910 C LEU A 88 11.276 2.850 4.561 1.00 0.56 C ATOM 911 O LEU A 88 10.699 1.782 4.730 1.00 1.00 O ATOM 912 CB LEU A 88 11.478 2.563 2.081 1.00 1.61 C ATOM 913 CG LEU A 88 10.056 3.071 1.846 1.00 2.22 C ATOM 914 CD1 LEU A 88 10.034 4.587 1.710 1.00 2.96 C ATOM 915 CD2 LEU A 88 9.469 2.415 0.609 1.00 2.90 C ATOM 0 H LEU A 88 13.343 1.381 3.668 1.00 0.61 H new ATOM 0 HA LEU A 88 12.340 4.138 3.238 1.00 0.75 H new ATOM 0 HB2 LEU A 88 12.090 2.843 1.224 1.00 1.61 H new ATOM 0 HB3 LEU A 88 11.454 1.474 2.113 1.00 1.61 H new ATOM 0 HG LEU A 88 9.447 2.805 2.710 1.00 2.22 H new ATOM 0 HD11 LEU A 88 9.010 4.923 1.543 1.00 2.96 H new ATOM 0 HD12 LEU A 88 10.420 5.040 2.623 1.00 2.96 H new ATOM 0 HD13 LEU A 88 10.656 4.886 0.866 1.00 2.96 H new ATOM 0 HD21 LEU A 88 8.455 2.782 0.449 1.00 2.90 H new ATOM 0 HD22 LEU A 88 10.084 2.657 -0.258 1.00 2.90 H new ATOM 0 HD23 LEU A 88 9.445 1.334 0.747 1.00 2.90 H new ATOM 927 N ASN A 89 11.194 3.862 5.403 1.00 0.54 N ATOM 928 CA ASN A 89 10.372 3.806 6.604 1.00 0.47 C ATOM 929 C ASN A 89 9.861 5.191 6.915 1.00 0.59 C ATOM 930 O ASN A 89 10.567 6.010 7.503 1.00 0.97 O ATOM 931 CB ASN A 89 11.145 3.268 7.818 1.00 0.50 C ATOM 932 CG ASN A 89 11.759 1.897 7.599 1.00 1.31 C ATOM 933 OD1 ASN A 89 11.104 0.870 7.778 1.00 2.24 O ATOM 934 ND2 ASN A 89 13.035 1.868 7.245 1.00 1.82 N ATOM 0 H ASN A 89 11.691 4.744 5.278 1.00 0.54 H new ATOM 0 HA ASN A 89 9.547 3.120 6.410 1.00 0.47 H new ATOM 0 HB2 ASN A 89 11.936 3.973 8.074 1.00 0.50 H new ATOM 0 HB3 ASN A 89 10.471 3.221 8.673 1.00 0.50 H new ATOM 0 HD21 ASN A 89 13.507 0.974 7.112 1.00 1.82 H new ATOM 0 HD22 ASN A 89 13.546 2.740 7.106 1.00 1.82 H new ATOM 941 N THR A 90 8.645 5.459 6.496 1.00 0.51 N ATOM 942 CA THR A 90 8.061 6.762 6.684 1.00 0.61 C ATOM 943 C THR A 90 6.547 6.651 6.845 1.00 0.53 C ATOM 944 O THR A 90 5.958 5.600 6.589 1.00 0.51 O ATOM 945 CB THR A 90 8.372 7.575 5.677 1.00 0.75 C ATOM 946 OG1 THR A 90 7.997 8.924 5.995 1.00 1.63 O ATOM 947 CG2 THR A 90 7.714 7.148 4.369 1.00 1.39 C ATOM 0 H THR A 90 8.042 4.787 6.021 1.00 0.51 H new ATOM 0 HA THR A 90 8.473 7.191 7.598 1.00 0.61 H new ATOM 0 HB THR A 90 9.451 7.518 5.537 1.00 0.75 H new ATOM 0 HG1 THR A 90 8.232 9.514 5.248 1.00 1.63 H new ATOM 0 HG21 THR A 90 7.997 7.841 3.576 1.00 1.39 H new ATOM 0 HG22 THR A 90 8.044 6.143 4.107 1.00 1.39 H new ATOM 0 HG23 THR A 90 6.630 7.155 4.488 1.00 1.39 H new ATOM 955 N MET A 91 5.943 7.715 7.319 1.00 0.55 N ATOM 956 CA MET A 91 4.502 7.768 7.504 1.00 0.51 C ATOM 957 C MET A 91 3.950 9.074 6.933 1.00 0.57 C ATOM 958 O MET A 91 4.463 10.160 7.223 1.00 0.75 O ATOM 959 CB MET A 91 4.135 7.640 8.988 1.00 0.60 C ATOM 960 CG MET A 91 4.708 8.743 9.866 1.00 1.14 C ATOM 961 SD MET A 91 4.177 8.613 11.585 1.00 1.61 S ATOM 962 CE MET A 91 4.893 7.037 12.048 1.00 1.77 C ATOM 0 H MET A 91 6.430 8.570 7.588 1.00 0.55 H new ATOM 0 HA MET A 91 4.055 6.929 6.971 1.00 0.51 H new ATOM 0 HB2 MET A 91 3.049 7.641 9.084 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.487 6.677 9.357 1.00 0.60 H new ATOM 0 HG2 MET A 91 5.797 8.707 9.823 1.00 1.14 H new ATOM 0 HG3 MET A 91 4.405 9.712 9.469 1.00 1.14 H new ATOM 0 HE1 MET A 91 4.918 6.954 13.135 1.00 1.77 H new ATOM 0 HE2 MET A 91 4.290 6.228 11.636 1.00 1.77 H new ATOM 0 HE3 MET A 91 5.908 6.969 11.656 1.00 1.77 H new ATOM 972 N PHE A 92 2.922 8.969 6.108 1.00 0.49 N ATOM 973 CA PHE A 92 2.287 10.143 5.522 1.00 0.55 C ATOM 974 C PHE A 92 0.796 9.896 5.347 1.00 0.48 C ATOM 975 O PHE A 92 0.341 8.762 5.435 1.00 0.47 O ATOM 976 CB PHE A 92 2.941 10.516 4.182 1.00 0.72 C ATOM 977 CG PHE A 92 2.913 9.429 3.144 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.905 9.382 2.194 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.889 8.443 3.128 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.872 8.376 1.247 1.00 2.19 C ATOM 981 CE2 PHE A 92 3.860 7.437 2.184 1.00 2.86 C ATOM 982 CZ PHE A 92 2.874 7.436 1.207 1.00 3.01 C ATOM 0 H PHE A 92 2.506 8.081 5.827 1.00 0.49 H new ATOM 0 HA PHE A 92 2.425 10.985 6.201 1.00 0.55 H new ATOM 0 HB2 PHE A 92 2.438 11.396 3.780 1.00 0.72 H new ATOM 0 HB3 PHE A 92 3.978 10.798 4.365 1.00 0.72 H new ATOM 0 HD1 PHE A 92 1.136 10.141 2.194 1.00 1.25 H new ATOM 0 HD2 PHE A 92 4.680 8.463 3.863 1.00 1.83 H new ATOM 0 HE1 PHE A 92 1.059 8.328 0.538 1.00 2.19 H new ATOM 0 HE2 PHE A 92 4.602 6.653 2.205 1.00 2.86 H new ATOM 0 HZ PHE A 92 2.894 6.699 0.418 1.00 3.01 H new ATOM 992 N GLU A 93 0.038 10.953 5.113 1.00 0.48 N ATOM 993 CA GLU A 93 -1.408 10.837 4.999 1.00 0.47 C ATOM 994 C GLU A 93 -1.860 11.048 3.560 1.00 0.45 C ATOM 995 O GLU A 93 -1.600 12.095 2.959 1.00 0.53 O ATOM 996 CB GLU A 93 -2.078 11.833 5.945 1.00 0.58 C ATOM 997 CG GLU A 93 -1.842 11.493 7.405 1.00 1.30 C ATOM 998 CD GLU A 93 -1.946 12.690 8.320 1.00 1.73 C ATOM 999 OE1 GLU A 93 -2.998 12.868 8.967 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -0.960 13.449 8.413 1.00 2.04 O ATOM 0 H GLU A 93 0.398 11.901 4.998 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.708 9.829 5.286 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.698 12.834 5.742 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -3.150 11.852 5.748 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -2.566 10.741 7.718 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -0.853 11.047 7.512 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.540 10.049 3.017 1.00 0.44 N ATOM 1008 CA TYR A 94 -2.977 10.074 1.628 1.00 0.51 C ATOM 1009 C TYR A 94 -4.450 9.683 1.540 1.00 0.42 C ATOM 1010 O TYR A 94 -4.966 8.981 2.413 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.111 9.120 0.794 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.340 9.200 -0.704 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -2.883 8.128 -1.402 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -2.001 10.340 -1.419 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -3.082 8.190 -2.769 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -2.201 10.411 -2.787 1.00 1.83 C ATOM 1017 CZ TYR A 94 -2.741 9.333 -3.457 1.00 2.64 C ATOM 1018 OH TYR A 94 -2.933 9.395 -4.822 1.00 3.37 O ATOM 0 H TYR A 94 -2.803 9.203 3.523 1.00 0.44 H new ATOM 0 HA TYR A 94 -2.864 11.083 1.230 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.061 9.331 0.999 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.301 8.098 1.123 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -3.155 7.230 -0.867 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -1.574 11.185 -0.900 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -3.503 7.346 -3.295 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -1.935 11.307 -3.328 1.00 1.83 H new ATOM 0 HH TYR A 94 -3.701 8.839 -5.070 1.00 3.37 H new ATOM 1028 N THR A 95 -5.125 10.152 0.500 1.00 0.46 N ATOM 1029 CA THR A 95 -6.539 9.876 0.317 1.00 0.46 C ATOM 1030 C THR A 95 -6.742 8.827 -0.780 1.00 0.47 C ATOM 1031 O THR A 95 -5.951 8.745 -1.719 1.00 0.60 O ATOM 1032 CB THR A 95 -7.185 10.985 0.006 1.00 0.59 C ATOM 1033 OG1 THR A 95 -6.704 12.055 0.837 1.00 1.40 O ATOM 1034 CG2 THR A 95 -8.687 10.846 0.189 1.00 1.09 C ATOM 0 H THR A 95 -4.711 10.729 -0.233 1.00 0.46 H new ATOM 0 HA THR A 95 -6.938 9.485 1.253 1.00 0.46 H new ATOM 0 HB THR A 95 -6.999 11.196 -1.047 1.00 0.59 H new ATOM 0 HG1 THR A 95 -7.178 12.883 0.611 1.00 1.40 H new ATOM 0 HG21 THR A 95 -9.174 11.783 -0.079 1.00 1.09 H new ATOM 0 HG22 THR A 95 -9.059 10.047 -0.452 1.00 1.09 H new ATOM 0 HG23 THR A 95 -8.906 10.608 1.230 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.753 7.985 -0.618 1.00 0.43 N ATOM 1043 CA PHE A 96 -8.059 6.947 -1.592 1.00 0.53 C ATOM 1044 C PHE A 96 -9.507 7.062 -2.036 1.00 0.62 C ATOM 1045 O PHE A 96 -10.423 6.716 -1.292 1.00 0.78 O ATOM 1046 CB PHE A 96 -7.805 5.559 -0.997 1.00 0.69 C ATOM 1047 CG PHE A 96 -6.359 5.289 -0.679 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -5.483 4.869 -1.667 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -5.878 5.458 0.609 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -4.155 4.624 -1.377 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -4.551 5.214 0.905 1.00 1.18 C ATOM 1052 CZ PHE A 96 -3.690 4.784 -0.095 1.00 1.03 C ATOM 0 H PHE A 96 -8.380 8.001 0.186 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.407 7.080 -2.456 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -8.394 5.451 -0.086 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -8.160 4.803 -1.697 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -5.843 4.732 -2.676 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -6.548 5.784 1.391 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.482 4.306 -2.159 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -4.185 5.357 1.911 1.00 1.18 H new ATOM 0 HZ PHE A 96 -2.656 4.576 0.135 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.713 7.575 -3.239 1.00 0.66 N ATOM 1063 CA ASP A 97 -11.051 7.709 -3.783 1.00 0.88 C ATOM 1064 C ASP A 97 -11.097 7.243 -5.234 1.00 0.95 C ATOM 1065 O ASP A 97 -10.452 7.815 -6.114 1.00 1.74 O ATOM 1066 CB ASP A 97 -11.563 9.152 -3.649 1.00 1.17 C ATOM 1067 CG ASP A 97 -10.732 10.174 -4.401 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -11.197 10.693 -5.436 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -9.592 10.445 -3.973 1.00 2.57 O ATOM 0 H ASP A 97 -8.970 7.905 -3.855 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.714 7.068 -3.203 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -12.590 9.197 -4.011 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -11.585 9.422 -2.593 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.848 6.171 -5.454 1.00 1.21 N ATOM 1075 CA TYR A 98 -12.019 5.569 -6.775 1.00 1.30 C ATOM 1076 C TYR A 98 -12.942 4.364 -6.660 1.00 1.26 C ATOM 1077 O TYR A 98 -14.107 4.418 -7.051 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.670 5.145 -7.375 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.788 4.347 -8.658 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.451 2.999 -8.687 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -11.243 4.935 -9.830 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.565 2.261 -9.848 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -11.358 4.204 -10.997 1.00 2.79 C ATOM 1084 CZ TYR A 98 -11.018 2.867 -11.000 1.00 2.67 C ATOM 1085 OH TYR A 98 -11.135 2.132 -12.159 1.00 3.21 O ATOM 0 H TYR A 98 -12.361 5.689 -4.716 1.00 1.21 H new ATOM 0 HA TYR A 98 -12.459 6.311 -7.441 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -10.074 6.037 -7.568 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -10.127 4.552 -6.639 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -10.094 2.521 -7.787 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -11.512 5.981 -9.830 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.301 1.214 -9.854 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -11.712 4.677 -11.901 1.00 2.79 H new ATOM 0 HH TYR A 98 -11.469 2.707 -12.879 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.411 3.282 -6.112 1.00 1.11 N ATOM 1096 CA GLN A 99 -13.212 2.103 -5.834 1.00 1.70 C ATOM 1097 C GLN A 99 -13.739 2.190 -4.411 1.00 1.80 C ATOM 1098 O GLN A 99 -14.857 1.775 -4.120 1.00 2.28 O ATOM 1099 CB GLN A 99 -12.406 0.818 -6.060 1.00 2.11 C ATOM 1100 CG GLN A 99 -11.086 0.762 -5.309 1.00 2.28 C ATOM 1101 CD GLN A 99 -10.351 -0.542 -5.543 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -10.535 -1.510 -4.810 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -9.519 -0.577 -6.571 1.00 2.81 N ATOM 0 H GLN A 99 -11.429 3.197 -5.851 1.00 1.11 H new ATOM 0 HA GLN A 99 -14.055 2.067 -6.524 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -13.015 -0.035 -5.762 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -12.208 0.711 -7.126 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -10.456 1.594 -5.623 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -11.271 0.887 -4.242 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -9.395 0.250 -7.155 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -9.001 -1.431 -6.779 1.00 2.81 H new ATOM 1112 N MET A 100 -12.921 2.739 -3.525 1.00 1.50 N ATOM 1113 CA MET A 100 -13.383 3.130 -2.207 1.00 1.55 C ATOM 1114 C MET A 100 -13.788 4.587 -2.263 1.00 1.40 C ATOM 1115 O MET A 100 -13.189 5.369 -3.008 1.00 1.30 O ATOM 1116 CB MET A 100 -12.293 2.922 -1.146 1.00 1.54 C ATOM 1117 CG MET A 100 -12.777 3.177 0.277 1.00 1.64 C ATOM 1118 SD MET A 100 -11.513 2.861 1.525 1.00 2.37 S ATOM 1119 CE MET A 100 -11.257 1.101 1.316 1.00 2.85 C ATOM 0 H MET A 100 -11.933 2.923 -3.698 1.00 1.50 H new ATOM 0 HA MET A 100 -14.232 2.508 -1.923 1.00 1.55 H new ATOM 0 HB2 MET A 100 -11.918 1.901 -1.217 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.455 3.585 -1.361 1.00 1.54 H new ATOM 0 HG2 MET A 100 -13.110 4.211 0.361 1.00 1.64 H new ATOM 0 HG3 MET A 100 -13.643 2.546 0.478 1.00 1.64 H new ATOM 0 HE1 MET A 100 -10.794 0.692 2.214 1.00 2.85 H new ATOM 0 HE2 MET A 100 -12.216 0.611 1.147 1.00 2.85 H new ATOM 0 HE3 MET A 100 -10.605 0.927 0.460 1.00 2.85 H new ATOM 1129 N THR A 101 -14.826 4.944 -1.530 1.00 1.46 N ATOM 1130 CA THR A 101 -15.209 6.331 -1.409 1.00 1.40 C ATOM 1131 C THR A 101 -14.104 7.109 -0.699 1.00 1.14 C ATOM 1132 O THR A 101 -13.241 6.497 -0.070 1.00 1.13 O ATOM 1133 CB THR A 101 -16.356 6.448 -0.775 1.00 1.54 C ATOM 1134 OG1 THR A 101 -16.526 5.351 0.141 1.00 2.12 O ATOM 1135 CG2 THR A 101 -17.512 6.491 -1.759 1.00 2.05 C ATOM 0 H THR A 101 -15.415 4.292 -1.012 1.00 1.46 H new ATOM 0 HA THR A 101 -15.345 6.749 -2.406 1.00 1.40 H new ATOM 0 HB THR A 101 -16.347 7.383 -0.215 1.00 1.54 H new ATOM 0 HG1 THR A 101 -17.381 5.446 0.610 1.00 2.12 H new ATOM 0 HG21 THR A 101 -18.451 6.588 -1.214 1.00 2.05 H new ATOM 0 HG22 THR A 101 -17.390 7.344 -2.426 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.526 5.572 -2.344 1.00 2.05 H new ATOM 1143 N PRO A 102 -14.071 8.450 -0.839 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.956 9.276 -0.353 1.00 1.00 C ATOM 1145 C PRO A 102 -12.630 9.089 1.129 1.00 0.92 C ATOM 1146 O PRO A 102 -13.118 9.834 1.984 1.00 1.15 O ATOM 1147 CB PRO A 102 -13.427 10.708 -0.617 1.00 1.32 C ATOM 1148 CG PRO A 102 -14.413 10.584 -1.720 1.00 1.47 C ATOM 1149 CD PRO A 102 -15.102 9.272 -1.499 1.00 1.44 C ATOM 0 HA PRO A 102 -12.030 9.003 -0.859 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.881 11.146 0.272 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -12.595 11.352 -0.900 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -15.126 11.409 -1.703 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.919 10.609 -2.692 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.988 9.384 -0.873 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -15.430 8.827 -2.439 1.00 1.44 H new ATOM 1157 N THR A 103 -11.825 8.081 1.431 1.00 0.73 N ATOM 1158 CA THR A 103 -11.285 7.923 2.765 1.00 0.70 C ATOM 1159 C THR A 103 -9.838 8.394 2.808 1.00 0.58 C ATOM 1160 O THR A 103 -9.127 8.328 1.805 1.00 0.54 O ATOM 1161 CB THR A 103 -11.349 6.672 3.174 1.00 0.81 C ATOM 1162 OG1 THR A 103 -10.780 5.808 2.178 1.00 1.34 O ATOM 1163 CG2 THR A 103 -12.782 6.258 3.468 1.00 1.40 C ATOM 0 H THR A 103 -11.534 7.363 0.768 1.00 0.73 H new ATOM 0 HA THR A 103 -11.892 8.533 3.434 1.00 0.70 H new ATOM 0 HB THR A 103 -10.780 6.586 4.100 1.00 0.81 H new ATOM 0 HG1 THR A 103 -11.220 4.933 2.214 1.00 1.34 H new ATOM 0 HG21 THR A 103 -12.800 5.221 3.803 1.00 1.40 H new ATOM 0 HG22 THR A 103 -13.193 6.899 4.248 1.00 1.40 H new ATOM 0 HG23 THR A 103 -13.382 6.357 2.564 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.414 8.931 3.940 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.039 9.376 4.085 1.00 0.59 C ATOM 1173 C LYS A 104 -7.376 8.645 5.235 1.00 0.58 C ATOM 1174 O LYS A 104 -7.930 8.560 6.335 1.00 0.75 O ATOM 1175 CB LYS A 104 -7.970 10.890 4.304 1.00 0.75 C ATOM 1176 CG LYS A 104 -6.547 11.433 4.308 1.00 1.45 C ATOM 1177 CD LYS A 104 -6.519 12.950 4.398 1.00 1.90 C ATOM 1178 CE LYS A 104 -7.032 13.449 5.740 1.00 2.46 C ATOM 1179 NZ LYS A 104 -7.038 14.933 5.809 1.00 3.08 N ATOM 0 H LYS A 104 -9.997 9.068 4.766 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.505 9.146 3.163 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -8.540 11.390 3.521 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -8.448 11.135 5.252 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -5.999 11.009 5.150 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -6.034 11.114 3.401 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -5.499 13.304 4.245 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -7.126 13.372 3.598 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -8.041 13.073 5.906 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -6.408 13.050 6.539 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -7.394 15.236 6.738 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -6.071 15.291 5.675 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -7.654 15.313 5.062 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.199 8.100 4.978 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.487 7.337 5.982 1.00 0.47 C ATOM 1195 C VAL A 105 -4.101 7.908 6.243 1.00 0.40 C ATOM 1196 O VAL A 105 -3.599 8.738 5.482 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.362 6.057 5.646 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -6.727 5.390 5.527 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -4.569 5.887 4.355 1.00 0.94 C ATOM 0 H VAL A 105 -5.718 8.173 4.081 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.088 7.408 6.889 1.00 0.47 H new ATOM 0 HB VAL A 105 -4.805 5.566 6.444 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -6.598 4.343 5.251 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.247 5.452 6.483 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.314 5.897 4.761 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -4.489 4.827 4.114 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.079 6.406 3.544 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -3.571 6.306 4.483 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.520 7.487 7.348 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.132 7.752 7.647 1.00 0.42 C ATOM 1211 C LYS A 106 -1.374 6.460 7.398 1.00 0.40 C ATOM 1212 O LYS A 106 -1.570 5.478 8.112 1.00 0.47 O ATOM 1213 CB LYS A 106 -1.988 8.190 9.108 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.603 8.694 9.481 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.508 8.966 10.974 1.00 0.83 C ATOM 1216 CE LYS A 106 0.792 9.662 11.345 1.00 1.56 C ATOM 1217 NZ LYS A 106 0.855 11.044 10.801 1.00 1.69 N ATOM 0 H LYS A 106 -4.003 6.948 8.067 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.738 8.554 7.023 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.714 8.977 9.312 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.241 7.348 9.753 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.146 7.957 9.193 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.382 9.606 8.926 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -1.351 9.583 11.284 1.00 0.83 H new ATOM 0 HD3 LYS A 106 -0.584 8.025 11.519 1.00 0.83 H new ATOM 0 HE2 LYS A 106 0.890 9.694 12.430 1.00 1.56 H new ATOM 0 HE3 LYS A 106 1.635 9.084 10.966 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 1.629 11.564 11.262 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 1.026 11.006 9.776 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 -0.046 11.531 10.984 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.536 6.435 6.381 1.00 0.37 N ATOM 1232 CA VAL A 107 0.034 5.197 5.940 1.00 0.42 C ATOM 1233 C VAL A 107 1.475 5.105 6.401 1.00 0.40 C ATOM 1234 O VAL A 107 2.209 6.098 6.416 1.00 0.54 O ATOM 1235 CB VAL A 107 -0.078 5.044 4.619 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.697 6.112 3.854 1.00 1.26 C ATOM 1237 CG2 VAL A 107 0.341 3.656 4.179 1.00 1.27 C ATOM 0 H VAL A 107 -0.242 7.257 5.853 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.525 4.376 6.390 1.00 0.42 H new ATOM 0 HB VAL A 107 -1.134 5.167 4.378 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.579 5.950 2.783 1.00 1.26 H new ATOM 0 HG12 VAL A 107 0.313 7.098 4.116 1.00 1.26 H new ATOM 0 HG13 VAL A 107 1.753 6.052 4.115 1.00 1.26 H new ATOM 0 HG21 VAL A 107 0.236 3.570 3.097 1.00 1.27 H new ATOM 0 HG22 VAL A 107 1.381 3.484 4.457 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -0.292 2.914 4.665 1.00 1.27 H new ATOM 1247 N HIS A 108 1.836 3.945 6.884 1.00 0.34 N ATOM 1248 CA HIS A 108 3.162 3.721 7.383 1.00 0.34 C ATOM 1249 C HIS A 108 3.871 2.756 6.457 1.00 0.32 C ATOM 1250 O HIS A 108 3.483 1.595 6.335 1.00 0.44 O ATOM 1251 CB HIS A 108 3.100 3.165 8.810 1.00 0.45 C ATOM 1252 CG HIS A 108 4.402 3.220 9.554 1.00 0.53 C ATOM 1253 ND1 HIS A 108 4.577 2.647 10.793 1.00 0.97 N ATOM 1254 CD2 HIS A 108 5.585 3.798 9.241 1.00 0.54 C ATOM 1255 CE1 HIS A 108 5.807 2.875 11.212 1.00 1.02 C ATOM 1256 NE2 HIS A 108 6.440 3.573 10.290 1.00 0.68 N ATOM 0 H HIS A 108 1.220 3.134 6.941 1.00 0.34 H new ATOM 0 HA HIS A 108 3.714 4.660 7.415 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.351 3.723 9.372 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.762 2.129 8.769 1.00 0.45 H new ATOM 0 HD2 HIS A 108 5.814 4.337 8.333 1.00 0.54 H new ATOM 0 HE1 HIS A 108 6.225 2.545 12.152 1.00 1.02 H new ATOM 0 HE2 HIS A 108 7.407 3.893 10.347 1.00 0.68 H new ATOM 1265 N MET A 109 4.894 3.250 5.805 1.00 0.30 N ATOM 1266 CA MET A 109 5.669 2.447 4.869 1.00 0.39 C ATOM 1267 C MET A 109 6.947 1.982 5.552 1.00 0.34 C ATOM 1268 O MET A 109 7.615 2.771 6.217 1.00 0.45 O ATOM 1269 CB MET A 109 5.997 3.282 3.624 1.00 0.65 C ATOM 1270 CG MET A 109 6.696 2.510 2.517 1.00 0.87 C ATOM 1271 SD MET A 109 5.658 1.226 1.797 1.00 2.22 S ATOM 1272 CE MET A 109 4.403 2.226 1.000 1.00 2.49 C ATOM 0 H MET A 109 5.218 4.212 5.901 1.00 0.30 H new ATOM 0 HA MET A 109 5.093 1.575 4.560 1.00 0.39 H new ATOM 0 HB2 MET A 109 5.072 3.702 3.229 1.00 0.65 H new ATOM 0 HB3 MET A 109 6.627 4.121 3.920 1.00 0.65 H new ATOM 0 HG2 MET A 109 7.003 3.204 1.734 1.00 0.87 H new ATOM 0 HG3 MET A 109 7.604 2.056 2.914 1.00 0.87 H new ATOM 0 HE1 MET A 109 3.854 1.617 0.282 1.00 2.49 H new ATOM 0 HE2 MET A 109 3.714 2.611 1.751 1.00 2.49 H new ATOM 0 HE3 MET A 109 4.877 3.059 0.481 1.00 2.49 H new ATOM 1282 N LYS A 110 7.272 0.700 5.410 1.00 0.32 N ATOM 1283 CA LYS A 110 8.396 0.105 6.129 1.00 0.35 C ATOM 1284 C LYS A 110 9.186 -0.758 5.171 1.00 0.32 C ATOM 1285 O LYS A 110 8.658 -1.168 4.158 1.00 0.45 O ATOM 1286 CB LYS A 110 7.892 -0.765 7.285 1.00 0.50 C ATOM 1287 CG LYS A 110 7.152 -0.004 8.372 1.00 0.97 C ATOM 1288 CD LYS A 110 8.103 0.799 9.242 1.00 0.91 C ATOM 1289 CE LYS A 110 9.109 -0.098 9.952 1.00 1.31 C ATOM 1290 NZ LYS A 110 8.448 -1.160 10.756 1.00 1.57 N ATOM 0 H LYS A 110 6.772 0.051 4.802 1.00 0.32 H new ATOM 0 HA LYS A 110 9.022 0.900 6.533 1.00 0.35 H new ATOM 0 HB2 LYS A 110 7.231 -1.533 6.883 1.00 0.50 H new ATOM 0 HB3 LYS A 110 8.742 -1.279 7.734 1.00 0.50 H new ATOM 0 HG2 LYS A 110 6.423 0.666 7.916 1.00 0.97 H new ATOM 0 HG3 LYS A 110 6.595 -0.706 8.993 1.00 0.97 H new ATOM 0 HD2 LYS A 110 8.634 1.526 8.627 1.00 0.91 H new ATOM 0 HD3 LYS A 110 7.533 1.363 9.981 1.00 0.91 H new ATOM 0 HE2 LYS A 110 9.765 -0.559 9.214 1.00 1.31 H new ATOM 0 HE3 LYS A 110 9.738 0.509 10.603 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 9.153 -1.625 11.364 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 7.706 -0.736 11.348 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 8.022 -1.863 10.119 1.00 1.57 H new ATOM 1304 N LYS A 111 10.432 -1.052 5.481 1.00 0.37 N ATOM 1305 CA LYS A 111 11.258 -1.818 4.566 1.00 0.38 C ATOM 1306 C LYS A 111 11.434 -3.256 5.037 1.00 0.43 C ATOM 1307 O LYS A 111 11.937 -3.510 6.131 1.00 0.60 O ATOM 1308 CB LYS A 111 12.614 -1.136 4.404 1.00 0.49 C ATOM 1309 CG LYS A 111 13.535 -1.821 3.411 1.00 0.56 C ATOM 1310 CD LYS A 111 14.864 -1.095 3.315 1.00 1.03 C ATOM 1311 CE LYS A 111 15.839 -1.829 2.416 1.00 1.49 C ATOM 1312 NZ LYS A 111 15.398 -1.833 0.995 1.00 2.13 N ATOM 0 H LYS A 111 10.892 -0.777 6.349 1.00 0.37 H new ATOM 0 HA LYS A 111 10.754 -1.853 3.600 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.455 -0.106 4.086 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.108 -1.097 5.375 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.702 -2.854 3.716 1.00 0.56 H new ATOM 0 HG3 LYS A 111 13.061 -1.851 2.430 1.00 0.56 H new ATOM 0 HD2 LYS A 111 14.702 -0.088 2.931 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.295 -0.991 4.311 1.00 1.03 H new ATOM 0 HE2 LYS A 111 16.821 -1.361 2.489 1.00 1.49 H new ATOM 0 HE3 LYS A 111 15.949 -2.856 2.764 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 16.126 -2.286 0.407 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 14.506 -2.361 0.910 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 15.253 -0.855 0.674 1.00 2.13 H new ATOM 1326 N ALA A 112 11.015 -4.190 4.198 1.00 0.44 N ATOM 1327 CA ALA A 112 11.188 -5.605 4.471 1.00 0.59 C ATOM 1328 C ALA A 112 12.257 -6.182 3.558 1.00 0.92 C ATOM 1329 O ALA A 112 11.999 -6.491 2.393 1.00 1.57 O ATOM 1330 CB ALA A 112 9.879 -6.356 4.285 1.00 0.96 C ATOM 0 H ALA A 112 10.548 -3.989 3.314 1.00 0.44 H new ATOM 0 HA ALA A 112 11.503 -5.720 5.508 1.00 0.59 H new ATOM 0 HB1 ALA A 112 10.034 -7.414 4.495 1.00 0.96 H new ATOM 0 HB2 ALA A 112 9.130 -5.956 4.968 1.00 0.96 H new ATOM 0 HB3 ALA A 112 9.534 -6.237 3.258 1.00 0.96 H new ATOM 1336 N LEU A 113 13.465 -6.319 4.078 1.00 1.01 N ATOM 1337 CA LEU A 113 14.567 -6.832 3.281 1.00 1.49 C ATOM 1338 C LEU A 113 14.368 -8.321 3.033 1.00 1.26 C ATOM 1339 O LEU A 113 14.931 -8.891 2.099 1.00 2.05 O ATOM 1340 CB LEU A 113 15.904 -6.562 3.976 1.00 2.52 C ATOM 1341 CG LEU A 113 17.149 -6.809 3.120 1.00 3.38 C ATOM 1342 CD1 LEU A 113 17.080 -6.002 1.832 1.00 3.91 C ATOM 1343 CD2 LEU A 113 18.403 -6.449 3.901 1.00 4.41 C ATOM 0 H LEU A 113 13.707 -6.084 5.041 1.00 1.01 H new ATOM 0 HA LEU A 113 14.585 -6.318 2.320 1.00 1.49 H new ATOM 0 HB2 LEU A 113 15.916 -5.526 4.314 1.00 2.52 H new ATOM 0 HB3 LEU A 113 15.965 -7.189 4.866 1.00 2.52 H new ATOM 0 HG LEU A 113 17.188 -7.867 2.862 1.00 3.38 H new ATOM 0 HD11 LEU A 113 17.973 -6.190 1.236 1.00 3.91 H new ATOM 0 HD12 LEU A 113 16.197 -6.297 1.265 1.00 3.91 H new ATOM 0 HD13 LEU A 113 17.020 -4.940 2.071 1.00 3.91 H new ATOM 0 HD21 LEU A 113 19.282 -6.629 3.282 1.00 4.41 H new ATOM 0 HD22 LEU A 113 18.367 -5.397 4.182 1.00 4.41 H new ATOM 0 HD23 LEU A 113 18.461 -7.063 4.800 1.00 4.41 H new ATOM 1355 N SER A 114 13.537 -8.933 3.865 1.00 1.21 N ATOM 1356 CA SER A 114 13.152 -10.320 3.684 1.00 1.56 C ATOM 1357 C SER A 114 12.182 -10.449 2.509 1.00 1.72 C ATOM 1358 O SER A 114 10.965 -10.497 2.692 1.00 2.36 O ATOM 1359 CB SER A 114 12.504 -10.853 4.963 1.00 2.13 C ATOM 1360 OG SER A 114 13.334 -10.613 6.091 1.00 2.55 O ATOM 0 H SER A 114 13.115 -8.484 4.678 1.00 1.21 H new ATOM 0 HA SER A 114 14.044 -10.909 3.467 1.00 1.56 H new ATOM 0 HB2 SER A 114 11.536 -10.375 5.111 1.00 2.13 H new ATOM 0 HB3 SER A 114 12.320 -11.923 4.863 1.00 2.13 H new ATOM 0 HG SER A 114 12.899 -10.961 6.897 1.00 2.55 H new ATOM 1366 N GLY A 115 12.724 -10.467 1.301 1.00 1.73 N ATOM 1367 CA GLY A 115 11.891 -10.569 0.124 1.00 2.05 C ATOM 1368 C GLY A 115 11.960 -9.332 -0.746 1.00 1.87 C ATOM 1369 O GLY A 115 11.167 -9.184 -1.675 1.00 2.62 O ATOM 0 H GLY A 115 13.726 -10.413 1.116 1.00 1.73 H new ATOM 0 HA2 GLY A 115 12.198 -11.437 -0.460 1.00 2.05 H new ATOM 0 HA3 GLY A 115 10.858 -10.738 0.428 1.00 2.05 H new ATOM 1373 N ASP A 116 12.893 -8.434 -0.422 1.00 1.38 N ATOM 1374 CA ASP A 116 13.147 -7.230 -1.228 1.00 1.29 C ATOM 1375 C ASP A 116 11.879 -6.393 -1.408 1.00 1.01 C ATOM 1376 O ASP A 116 11.630 -5.845 -2.483 1.00 1.32 O ATOM 1377 CB ASP A 116 13.721 -7.612 -2.602 1.00 1.58 C ATOM 1378 CG ASP A 116 15.126 -8.181 -2.525 1.00 2.09 C ATOM 1379 OD1 ASP A 116 15.276 -9.364 -2.147 1.00 2.76 O ATOM 1380 OD2 ASP A 116 16.092 -7.448 -2.835 1.00 2.42 O ATOM 0 H ASP A 116 13.492 -8.516 0.400 1.00 1.38 H new ATOM 0 HA ASP A 116 13.877 -6.626 -0.689 1.00 1.29 H new ATOM 0 HB2 ASP A 116 13.065 -8.344 -3.072 1.00 1.58 H new ATOM 0 HB3 ASP A 116 13.727 -6.731 -3.244 1.00 1.58 H new ATOM 1385 N SER A 117 11.101 -6.260 -0.342 1.00 0.60 N ATOM 1386 CA SER A 117 9.843 -5.549 -0.403 1.00 0.36 C ATOM 1387 C SER A 117 9.693 -4.604 0.793 1.00 0.34 C ATOM 1388 O SER A 117 10.673 -4.309 1.477 1.00 0.54 O ATOM 1389 CB SER A 117 8.685 -6.553 -0.496 1.00 0.35 C ATOM 1390 OG SER A 117 9.007 -7.767 0.165 1.00 1.07 O ATOM 0 H SER A 117 11.326 -6.640 0.578 1.00 0.60 H new ATOM 0 HA SER A 117 9.822 -4.928 -1.299 1.00 0.36 H new ATOM 0 HB2 SER A 117 7.788 -6.121 -0.052 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.457 -6.755 -1.543 1.00 0.35 H new ATOM 0 HG SER A 117 8.673 -8.524 -0.360 1.00 1.07 H new ATOM 1396 N TYR A 118 8.490 -4.086 1.011 1.00 0.22 N ATOM 1397 CA TYR A 118 8.229 -3.144 2.062 1.00 0.24 C ATOM 1398 C TYR A 118 6.943 -3.534 2.767 1.00 0.24 C ATOM 1399 O TYR A 118 6.070 -4.169 2.170 1.00 0.26 O ATOM 1400 CB TYR A 118 8.107 -1.744 1.454 1.00 0.30 C ATOM 1401 CG TYR A 118 9.332 -1.363 0.674 1.00 0.32 C ATOM 1402 CD1 TYR A 118 9.343 -1.450 -0.706 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.458 -0.881 1.317 1.00 0.57 C ATOM 1404 CE1 TYR A 118 10.449 -1.062 -1.434 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.575 -0.495 0.600 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.625 -0.734 -0.752 1.00 0.67 C ATOM 1407 OH TYR A 118 12.663 -0.188 -1.502 1.00 0.86 O ATOM 0 H TYR A 118 7.669 -4.318 0.451 1.00 0.22 H new ATOM 0 HA TYR A 118 9.042 -3.145 2.788 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.235 -1.707 0.801 1.00 0.30 H new ATOM 0 HB3 TYR A 118 7.942 -1.016 2.249 1.00 0.30 H new ATOM 0 HD1 TYR A 118 8.473 -1.827 -1.222 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.464 -0.805 2.394 1.00 0.57 H new ATOM 0 HE1 TYR A 118 10.407 -1.012 -2.512 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.401 -0.010 1.098 1.00 0.72 H new ATOM 0 HH TYR A 118 13.426 -0.001 -0.917 1.00 0.86 H new ATOM 1417 N TRP A 119 6.828 -3.157 4.019 1.00 0.27 N ATOM 1418 CA TRP A 119 5.622 -3.413 4.773 1.00 0.30 C ATOM 1419 C TRP A 119 4.821 -2.138 4.864 1.00 0.33 C ATOM 1420 O TRP A 119 5.171 -1.232 5.617 1.00 0.38 O ATOM 1421 CB TRP A 119 5.941 -3.904 6.189 1.00 0.36 C ATOM 1422 CG TRP A 119 6.120 -5.383 6.306 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.295 -6.067 6.342 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.083 -6.361 6.426 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.055 -7.412 6.472 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.704 -7.617 6.526 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.688 -6.295 6.456 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 4.980 -8.798 6.657 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 2.969 -7.466 6.586 1.00 0.63 C ATOM 1430 CH2 TRP A 119 3.616 -8.703 6.688 1.00 0.62 C ATOM 0 H TRP A 119 7.558 -2.670 4.539 1.00 0.27 H new ATOM 0 HA TRP A 119 5.055 -4.190 4.261 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.850 -3.412 6.534 1.00 0.36 H new ATOM 0 HB3 TRP A 119 5.138 -3.594 6.857 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.275 -5.617 6.278 1.00 0.48 H new ATOM 0 HE1 TRP A 119 7.768 -8.140 6.520 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.181 -5.345 6.379 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.477 -9.754 6.731 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 1.890 -7.427 6.609 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.026 -9.601 6.793 1.00 0.62 H new ATOM 1441 N VAL A 120 3.761 -2.052 4.086 1.00 0.33 N ATOM 1442 CA VAL A 120 2.906 -0.888 4.161 1.00 0.37 C ATOM 1443 C VAL A 120 1.648 -1.170 4.995 1.00 0.40 C ATOM 1444 O VAL A 120 0.946 -2.166 4.806 1.00 0.55 O ATOM 1445 CB VAL A 120 2.600 -0.421 2.949 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.731 -1.390 2.153 1.00 0.90 C ATOM 1447 CG2 VAL A 120 1.940 0.941 3.035 1.00 0.91 C ATOM 0 H VAL A 120 3.476 -2.759 3.408 1.00 0.33 H new ATOM 0 HA VAL A 120 3.467 -0.105 4.672 1.00 0.37 H new ATOM 0 HB VAL A 120 3.542 -0.316 2.411 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.511 -0.962 1.175 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.261 -2.334 2.025 1.00 0.90 H new ATOM 0 HG13 VAL A 120 0.799 -1.568 2.689 1.00 0.90 H new ATOM 0 HG21 VAL A 120 1.703 1.294 2.032 1.00 0.91 H new ATOM 0 HG22 VAL A 120 1.023 0.865 3.619 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.619 1.645 3.516 1.00 0.91 H new ATOM 1457 N PHE A 121 1.439 -0.322 5.996 1.00 0.39 N ATOM 1458 CA PHE A 121 0.303 -0.436 6.897 1.00 0.41 C ATOM 1459 C PHE A 121 -0.504 0.846 6.838 1.00 0.41 C ATOM 1460 O PHE A 121 0.068 1.933 6.831 1.00 0.49 O ATOM 1461 CB PHE A 121 0.768 -0.645 8.345 1.00 0.48 C ATOM 1462 CG PHE A 121 1.768 -1.747 8.538 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.119 -1.458 8.643 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.360 -3.065 8.635 1.00 0.69 C ATOM 1465 CE1 PHE A 121 4.042 -2.464 8.839 1.00 0.65 C ATOM 1466 CE2 PHE A 121 2.279 -4.076 8.829 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.623 -3.775 8.933 1.00 0.73 C ATOM 0 H PHE A 121 2.055 0.464 6.204 1.00 0.39 H new ATOM 0 HA PHE A 121 -0.296 -1.292 6.587 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.202 0.286 8.709 1.00 0.48 H new ATOM 0 HB3 PHE A 121 -0.104 -0.854 8.964 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.453 -0.434 8.571 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.310 -3.306 8.558 1.00 0.69 H new ATOM 0 HE1 PHE A 121 5.092 -2.225 8.919 1.00 0.65 H new ATOM 0 HE2 PHE A 121 1.948 -5.102 8.899 1.00 0.79 H new ATOM 0 HZ PHE A 121 4.344 -4.564 9.088 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.818 0.738 6.795 1.00 0.42 N ATOM 1478 CA VAL A 122 -2.647 1.930 6.800 1.00 0.51 C ATOM 1479 C VAL A 122 -3.304 2.150 8.158 1.00 0.54 C ATOM 1480 O VAL A 122 -3.654 1.203 8.862 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.577 1.928 5.848 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -2.930 1.934 4.470 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -4.538 0.754 5.982 1.00 1.16 C ATOM 0 H VAL A 122 -2.328 -0.145 6.757 1.00 0.42 H new ATOM 0 HA VAL A 122 -1.967 2.756 6.591 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.163 2.839 5.969 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -3.705 1.932 3.704 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -2.314 2.827 4.361 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -2.306 1.047 4.357 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -5.278 0.796 5.183 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -3.982 -0.181 5.913 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -5.043 0.805 6.947 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.378 3.408 8.552 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.089 3.801 9.755 1.00 0.66 C ATOM 1495 C LYS A 123 -5.130 4.845 9.402 1.00 0.55 C ATOM 1496 O LYS A 123 -4.801 6.003 9.161 1.00 0.51 O ATOM 1497 CB LYS A 123 -3.117 4.363 10.796 1.00 0.93 C ATOM 1498 CG LYS A 123 -2.285 3.305 11.502 1.00 1.36 C ATOM 1499 CD LYS A 123 -3.111 2.550 12.533 1.00 1.80 C ATOM 1500 CE LYS A 123 -3.544 3.461 13.674 1.00 2.62 C ATOM 1501 NZ LYS A 123 -4.412 2.758 14.655 1.00 3.31 N ATOM 0 H LYS A 123 -2.948 4.184 8.049 1.00 0.52 H new ATOM 0 HA LYS A 123 -4.578 2.925 10.181 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -2.447 5.071 10.307 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -3.683 4.922 11.541 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -1.886 2.604 10.769 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -1.432 3.776 11.990 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -3.991 2.122 12.053 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -2.528 1.719 12.930 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -2.661 3.847 14.184 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -4.079 4.320 13.268 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -4.846 3.453 15.295 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -5.159 2.240 14.149 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -3.840 2.088 15.208 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.381 4.433 9.346 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.455 5.344 8.990 1.00 0.76 C ATOM 1517 C ARG A 124 -7.767 6.272 10.155 1.00 0.85 C ATOM 1518 O ARG A 124 -8.113 5.808 11.242 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.696 4.565 8.538 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.191 3.529 9.536 1.00 1.58 C ATOM 1521 CD ARG A 124 -10.275 2.655 8.926 1.00 2.10 C ATOM 1522 NE ARG A 124 -11.392 3.446 8.415 1.00 2.55 N ATOM 1523 CZ ARG A 124 -12.401 2.940 7.708 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -12.457 1.638 7.460 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -13.359 3.736 7.257 1.00 4.03 N ATOM 0 H ARG A 124 -6.680 3.478 9.541 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.133 5.960 8.151 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.501 5.273 8.339 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -8.472 4.065 7.596 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -8.358 2.906 9.862 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -9.580 4.030 10.422 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -9.850 2.062 8.116 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -10.640 1.954 9.676 1.00 2.10 H new ATOM 0 HE ARG A 124 -11.400 4.447 8.612 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -11.725 1.020 7.811 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -13.232 1.255 6.918 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -13.324 4.737 7.451 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -14.132 3.348 6.716 1.00 4.03 H new ATOM 1539 N VAL A 125 -7.626 7.579 9.893 1.00 1.06 N ATOM 1540 CA VAL A 125 -7.750 8.647 10.896 1.00 1.33 C ATOM 1541 C VAL A 125 -7.313 8.217 12.301 1.00 2.00 C ATOM 1542 O VAL A 125 -8.162 7.794 13.115 1.00 2.87 O ATOM 1543 CB VAL A 125 -8.961 9.212 10.921 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -9.140 10.093 9.693 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -10.102 8.203 11.008 1.00 2.08 C ATOM 1546 OXT VAL A 125 -6.101 8.315 12.590 1.00 2.26 O ATOM 0 H VAL A 125 -7.418 7.931 8.958 1.00 1.06 H new ATOM 0 HA VAL A 125 -7.047 9.412 10.565 1.00 1.33 H new ATOM 0 HB VAL A 125 -9.009 9.810 11.831 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -10.128 10.552 9.716 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -8.378 10.872 9.690 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -9.043 9.486 8.793 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -11.055 8.732 11.024 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -10.069 7.541 10.143 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -9.998 7.614 11.919 1.00 2.08 H new