USER MOD reduce.3.24.130724 H: found=0, std=0, add=1208, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1210 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 81 SER OG : rot -170:sc= 0.182 USER MOD Set 1.2: A 145 MET CE :methyl 179:sc= -0.2 (180deg=-0.231) USER MOD Set 2.1: A 72 MET CE :methyl -115:sc= -0.0174 (180deg=0) USER MOD Set 2.2: B 520 LYS NZ :NH3+ -127:sc= 0 (180deg=0) USER MOD Set 3.1: A 51 MET CE :methyl 162:sc= -2.49 (180deg=-3.27!) USER MOD Set 3.2: B 529 MET CE :methyl 178:sc= 0 (180deg=-0.000366) USER MOD Set 4.1: A 28 THR OG1 : rot 151:sc= -0.141 USER MOD Set 4.2: A 30 LYS NZ :NH3+ -141:sc= -2.82! (180deg=-5.28!) USER MOD Set 5.1: A 5 THR OG1 : rot 15:sc= 1.12 USER MOD Set 5.2: A 8 GLN : amide:sc= -2.61! C(o=-1.5!,f=-2.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -33:sc= 0.0646 USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= -0.623 (180deg=-1.01) USER MOD Single : A 26 THR OG1 : rot -152:sc= -1.44 USER MOD Single : A 29 THR OG1 : rot -140:sc= -3.92! USER MOD Single : A 34 THR OG1 : rot 97:sc= 1.11 USER MOD Single : A 36 MET CE :methyl -120:sc= 0 (180deg=-0.282) USER MOD Single : A 38 SER OG : rot 160:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.29! C(o=-2.3!,f=-5.3!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -160:sc= -1.11 USER MOD Single : A 49 GLN :FLIP amide:sc= 0.645 F(o=0,f=0.65) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0.035) USER MOD Single : A 60 ASN : amide:sc= -0.0636 X(o=-0.064,f=-0.24!) USER MOD Single : A 62 THR OG1 : rot 121:sc= 0.588 USER MOD Single : A 70 THR OG1 : rot -12:sc= -0.706 USER MOD Single : A 71 MET CE :methyl 157:sc= -0.0806 (180deg=-1.06) USER MOD Single : A 75 LYS NZ :NH3+ -121:sc= 0 (180deg=-1.06) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.88 K(o=-1.9,f=-2.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 77:sc= -0.105 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -160:sc= -0.62 (180deg=-2.61) USER MOD Single : A 110 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -164:sc= 0.249 (180deg=0.156) USER MOD Single : A 117 THR OG1 : rot -170:sc= -1.02 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.32) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 168:sc= -2.12 (180deg=-2.34!) USER MOD Single : A 146 THR OG1 : rot 158:sc= -3.38! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00309) USER MOD Single : B 526 CYS SG : rot -39:sc= -3.22! USER MOD Single : B 527 MET CE :methyl -152:sc= -3.11! (180deg=-4.25!) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -1.842 -17.058 7.073 1.00 1.73 N ATOM 62 CA THR A 5 -0.516 -16.459 7.172 1.00 2.05 C ATOM 63 C THR A 5 -0.582 -15.211 8.064 1.00 1.66 C ATOM 64 O THR A 5 -1.651 -14.874 8.578 1.00 1.15 O ATOM 65 CB THR A 5 0.024 -16.091 5.770 1.00 2.63 C ATOM 66 OG1 THR A 5 -0.464 -17.021 4.793 1.00 3.14 O ATOM 67 CG2 THR A 5 1.553 -16.087 5.736 1.00 3.26 C ATOM 0 HA THR A 5 0.166 -17.183 7.617 1.00 2.05 H new ATOM 0 HB THR A 5 -0.329 -15.086 5.539 1.00 2.63 H new ATOM 0 HG1 THR A 5 -1.211 -17.530 5.171 1.00 3.14 H new ATOM 0 HG21 THR A 5 1.894 -15.824 4.735 1.00 3.26 H new ATOM 0 HG22 THR A 5 1.931 -15.357 6.451 1.00 3.26 H new ATOM 0 HG23 THR A 5 1.925 -17.077 5.998 1.00 3.26 H new ATOM 75 N GLU A 6 0.562 -14.560 8.302 1.00 2.22 N ATOM 76 CA GLU A 6 0.586 -13.363 9.126 1.00 2.15 C ATOM 77 C GLU A 6 0.233 -12.075 8.357 1.00 1.73 C ATOM 78 O GLU A 6 -0.728 -11.386 8.710 1.00 1.38 O ATOM 79 CB GLU A 6 1.957 -13.219 9.795 1.00 2.80 C ATOM 80 CG GLU A 6 2.179 -14.171 10.961 1.00 3.25 C ATOM 81 CD GLU A 6 3.541 -13.998 11.605 1.00 3.82 C ATOM 82 OE1 GLU A 6 4.494 -14.677 11.169 1.00 4.39 O ATOM 83 OE2 GLU A 6 3.654 -13.183 12.544 1.00 4.09 O ATOM 0 H GLU A 6 1.471 -14.844 7.937 1.00 2.22 H new ATOM 0 HA GLU A 6 -0.191 -13.490 9.880 1.00 2.15 H new ATOM 0 HB2 GLU A 6 2.734 -13.387 9.049 1.00 2.80 H new ATOM 0 HB3 GLU A 6 2.072 -12.194 10.149 1.00 2.80 H new ATOM 0 HG2 GLU A 6 1.404 -14.009 11.710 1.00 3.25 H new ATOM 0 HG3 GLU A 6 2.074 -15.198 10.611 1.00 3.25 H new ATOM 90 N GLU A 7 1.016 -11.763 7.309 1.00 1.90 N ATOM 91 CA GLU A 7 0.818 -10.556 6.505 1.00 1.65 C ATOM 92 C GLU A 7 -0.113 -10.738 5.319 1.00 1.44 C ATOM 93 O GLU A 7 -0.849 -9.812 4.978 1.00 1.23 O ATOM 94 CB GLU A 7 2.160 -9.990 6.035 1.00 2.06 C ATOM 95 CG GLU A 7 2.977 -9.352 7.148 1.00 2.28 C ATOM 96 CD GLU A 7 4.269 -8.740 6.646 1.00 2.65 C ATOM 97 OE1 GLU A 7 5.303 -9.439 6.664 1.00 3.11 O ATOM 98 OE2 GLU A 7 4.248 -7.561 6.233 1.00 2.91 O ATOM 0 H GLU A 7 1.798 -12.341 7.001 1.00 1.90 H new ATOM 0 HA GLU A 7 0.325 -9.847 7.170 1.00 1.65 H new ATOM 0 HB2 GLU A 7 2.743 -10.791 5.581 1.00 2.06 H new ATOM 0 HB3 GLU A 7 1.979 -9.248 5.258 1.00 2.06 H new ATOM 0 HG2 GLU A 7 2.380 -8.581 7.636 1.00 2.28 H new ATOM 0 HG3 GLU A 7 3.205 -10.104 7.903 1.00 2.28 H new ATOM 105 N GLN A 8 -0.073 -11.913 4.678 1.00 1.67 N ATOM 106 CA GLN A 8 -0.921 -12.194 3.501 1.00 1.66 C ATOM 107 C GLN A 8 -2.405 -11.977 3.819 1.00 1.23 C ATOM 108 O GLN A 8 -3.188 -11.595 2.949 1.00 1.28 O ATOM 109 CB GLN A 8 -0.696 -13.625 2.990 1.00 1.98 C ATOM 110 CG GLN A 8 0.771 -13.987 2.784 1.00 2.48 C ATOM 111 CD GLN A 8 0.959 -15.190 1.878 1.00 2.88 C ATOM 112 OE1 GLN A 8 1.119 -15.047 0.666 1.00 3.21 O ATOM 113 NE2 GLN A 8 0.932 -16.383 2.458 1.00 3.41 N ATOM 0 H GLN A 8 0.534 -12.686 4.950 1.00 1.67 H new ATOM 0 HA GLN A 8 -0.632 -11.494 2.717 1.00 1.66 H new ATOM 0 HB2 GLN A 8 -1.136 -14.326 3.699 1.00 1.98 H new ATOM 0 HB3 GLN A 8 -1.226 -13.750 2.046 1.00 1.98 H new ATOM 0 HG2 GLN A 8 1.295 -13.132 2.358 1.00 2.48 H new ATOM 0 HG3 GLN A 8 1.229 -14.192 3.752 1.00 2.48 H new ATOM 0 HE21 GLN A 8 0.797 -16.457 3.466 1.00 3.41 H new ATOM 0 HE22 GLN A 8 1.046 -17.226 1.896 1.00 3.41 H new ATOM 122 N ILE A 9 -2.765 -12.231 5.080 1.00 0.97 N ATOM 123 CA ILE A 9 -4.137 -12.055 5.576 1.00 0.68 C ATOM 124 C ILE A 9 -4.350 -10.633 6.062 1.00 0.57 C ATOM 125 O ILE A 9 -5.483 -10.175 6.176 1.00 0.67 O ATOM 126 CB ILE A 9 -4.484 -13.056 6.712 1.00 0.76 C ATOM 127 CG1 ILE A 9 -3.576 -14.303 6.634 1.00 1.22 C ATOM 128 CG2 ILE A 9 -5.968 -13.437 6.680 1.00 1.14 C ATOM 129 CD1 ILE A 9 -3.583 -15.042 5.301 1.00 2.46 C ATOM 0 H ILE A 9 -2.113 -12.566 5.789 1.00 0.97 H new ATOM 0 HA ILE A 9 -4.805 -12.257 4.739 1.00 0.68 H new ATOM 0 HB ILE A 9 -4.297 -12.566 7.668 1.00 0.76 H new ATOM 0 HG12 ILE A 9 -2.553 -13.999 6.855 1.00 1.22 H new ATOM 0 HG13 ILE A 9 -3.878 -14.999 7.416 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -6.181 -14.139 7.487 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -6.576 -12.542 6.808 1.00 1.14 H new ATOM 0 HG23 ILE A 9 -6.204 -13.902 5.723 1.00 1.14 H new ATOM 0 HD11 ILE A 9 -2.912 -15.899 5.357 1.00 2.46 H new ATOM 0 HD12 ILE A 9 -4.594 -15.386 5.081 1.00 2.46 H new ATOM 0 HD13 ILE A 9 -3.248 -14.370 4.511 1.00 2.46 H new ATOM 141 N ALA A 10 -3.243 -9.962 6.381 1.00 0.59 N ATOM 142 CA ALA A 10 -3.288 -8.568 6.829 1.00 0.64 C ATOM 143 C ALA A 10 -3.357 -7.595 5.661 1.00 0.58 C ATOM 144 O ALA A 10 -4.089 -6.611 5.716 1.00 0.70 O ATOM 145 CB ALA A 10 -2.056 -8.217 7.632 1.00 0.80 C ATOM 0 H ALA A 10 -2.305 -10.360 6.338 1.00 0.59 H new ATOM 0 HA ALA A 10 -4.187 -8.478 7.438 1.00 0.64 H new ATOM 0 HB1 ALA A 10 -2.115 -7.177 7.952 1.00 0.80 H new ATOM 0 HB2 ALA A 10 -1.996 -8.863 8.508 1.00 0.80 H new ATOM 0 HB3 ALA A 10 -1.168 -8.357 7.016 1.00 0.80 H new ATOM 151 N GLU A 11 -2.638 -7.931 4.583 1.00 0.50 N ATOM 152 CA GLU A 11 -2.518 -7.061 3.424 1.00 0.51 C ATOM 153 C GLU A 11 -3.660 -7.314 2.448 1.00 0.49 C ATOM 154 O GLU A 11 -4.410 -6.395 2.127 1.00 0.50 O ATOM 155 CB GLU A 11 -1.153 -7.258 2.733 1.00 0.59 C ATOM 156 CG GLU A 11 -0.871 -6.266 1.600 1.00 0.64 C ATOM 157 CD GLU A 11 -1.258 -6.811 0.237 1.00 0.88 C ATOM 158 OE1 GLU A 11 -0.408 -7.463 -0.405 1.00 1.48 O ATOM 159 OE2 GLU A 11 -2.410 -6.585 -0.187 1.00 1.48 O ATOM 0 H GLU A 11 -2.128 -8.810 4.497 1.00 0.50 H new ATOM 0 HA GLU A 11 -2.579 -6.027 3.762 1.00 0.51 H new ATOM 0 HB2 GLU A 11 -0.365 -7.171 3.481 1.00 0.59 H new ATOM 0 HB3 GLU A 11 -1.104 -8.271 2.334 1.00 0.59 H new ATOM 0 HG2 GLU A 11 -1.418 -5.342 1.786 1.00 0.64 H new ATOM 0 HG3 GLU A 11 0.189 -6.014 1.599 1.00 0.64 H new ATOM 166 N PHE A 12 -3.783 -8.578 1.989 1.00 0.52 N ATOM 167 CA PHE A 12 -4.830 -8.968 1.041 1.00 0.53 C ATOM 168 C PHE A 12 -6.210 -8.653 1.608 1.00 0.49 C ATOM 169 O PHE A 12 -7.113 -8.290 0.850 1.00 0.54 O ATOM 170 CB PHE A 12 -4.677 -10.459 0.629 1.00 0.63 C ATOM 171 CG PHE A 12 -5.905 -11.330 0.799 1.00 1.22 C ATOM 172 CD1 PHE A 12 -6.032 -12.148 1.907 1.00 2.05 C ATOM 173 CD2 PHE A 12 -6.923 -11.327 -0.146 1.00 2.14 C ATOM 174 CE1 PHE A 12 -7.147 -12.946 2.077 1.00 3.03 C ATOM 175 CE2 PHE A 12 -8.041 -12.123 0.019 1.00 3.14 C ATOM 176 CZ PHE A 12 -8.153 -12.934 1.131 1.00 3.44 C ATOM 0 H PHE A 12 -3.165 -9.341 2.265 1.00 0.52 H new ATOM 0 HA PHE A 12 -4.719 -8.380 0.130 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -4.373 -10.496 -0.417 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -3.865 -10.894 1.212 1.00 0.63 H new ATOM 0 HD1 PHE A 12 -5.248 -12.163 2.650 1.00 2.05 H new ATOM 0 HD2 PHE A 12 -6.840 -10.696 -1.019 1.00 2.14 H new ATOM 0 HE1 PHE A 12 -7.232 -13.578 2.948 1.00 3.03 H new ATOM 0 HE2 PHE A 12 -8.827 -12.111 -0.722 1.00 3.14 H new ATOM 0 HZ PHE A 12 -9.025 -13.557 1.261 1.00 3.44 H new ATOM 186 N LYS A 13 -6.378 -8.802 2.937 1.00 0.47 N ATOM 187 CA LYS A 13 -7.651 -8.473 3.570 1.00 0.48 C ATOM 188 C LYS A 13 -8.055 -7.043 3.365 1.00 0.48 C ATOM 189 O LYS A 13 -9.163 -6.754 2.913 1.00 0.52 O ATOM 190 CB LYS A 13 -7.629 -8.680 5.075 1.00 0.51 C ATOM 191 CG LYS A 13 -9.015 -8.874 5.644 1.00 0.57 C ATOM 192 CD LYS A 13 -9.621 -10.166 5.116 1.00 0.60 C ATOM 193 CE LYS A 13 -11.138 -10.091 5.040 1.00 0.66 C ATOM 194 NZ LYS A 13 -11.735 -11.368 4.561 1.00 1.21 N ATOM 0 H LYS A 13 -5.658 -9.142 3.574 1.00 0.47 H new ATOM 0 HA LYS A 13 -8.357 -9.150 3.089 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -7.016 -9.550 5.312 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -7.159 -7.820 5.552 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -8.969 -8.903 6.733 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -9.649 -8.029 5.374 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -9.218 -10.378 4.126 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -9.330 -10.994 5.762 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -11.539 -9.850 6.024 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -11.428 -9.281 4.370 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -12.770 -11.275 4.524 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -11.372 -11.586 3.611 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -11.480 -12.137 5.213 1.00 1.21 H new ATOM 208 N GLU A 14 -7.170 -6.153 3.750 1.00 0.47 N ATOM 209 CA GLU A 14 -7.462 -4.763 3.648 1.00 0.49 C ATOM 210 C GLU A 14 -7.440 -4.327 2.195 1.00 0.49 C ATOM 211 O GLU A 14 -8.119 -3.375 1.800 1.00 0.54 O ATOM 212 CB GLU A 14 -6.480 -3.933 4.461 1.00 0.50 C ATOM 213 CG GLU A 14 -6.992 -3.533 5.841 1.00 0.52 C ATOM 214 CD GLU A 14 -7.981 -2.380 5.799 1.00 1.25 C ATOM 215 OE1 GLU A 14 -7.539 -1.215 5.886 1.00 1.99 O ATOM 216 OE2 GLU A 14 -9.196 -2.643 5.678 1.00 1.95 O ATOM 0 H GLU A 14 -6.251 -6.375 4.133 1.00 0.47 H new ATOM 0 HA GLU A 14 -8.460 -4.598 4.054 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -5.555 -4.497 4.579 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -6.234 -3.031 3.901 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -7.468 -4.395 6.309 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -6.146 -3.255 6.469 1.00 0.52 H new ATOM 223 N ALA A 15 -6.636 -5.057 1.416 1.00 0.46 N ATOM 224 CA ALA A 15 -6.512 -4.831 -0.010 1.00 0.48 C ATOM 225 C ALA A 15 -7.670 -5.478 -0.753 1.00 0.50 C ATOM 226 O ALA A 15 -7.781 -5.419 -1.983 1.00 0.55 O ATOM 227 CB ALA A 15 -5.189 -5.352 -0.538 1.00 0.50 C ATOM 0 H ALA A 15 -6.056 -5.820 1.766 1.00 0.46 H new ATOM 0 HA ALA A 15 -6.541 -3.755 -0.181 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -5.127 -5.167 -1.610 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -4.369 -4.840 -0.034 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -5.119 -6.423 -0.350 1.00 0.50 H new ATOM 233 N PHE A 16 -8.527 -6.077 0.053 1.00 0.49 N ATOM 234 CA PHE A 16 -9.721 -6.771 -0.408 1.00 0.53 C ATOM 235 C PHE A 16 -10.863 -5.774 -0.554 1.00 0.57 C ATOM 236 O PHE A 16 -11.509 -5.726 -1.585 1.00 0.60 O ATOM 237 CB PHE A 16 -10.111 -7.925 0.544 1.00 0.55 C ATOM 238 CG PHE A 16 -10.985 -8.978 -0.090 1.00 0.56 C ATOM 239 CD1 PHE A 16 -10.439 -9.949 -0.917 1.00 1.27 C ATOM 240 CD2 PHE A 16 -12.350 -8.996 0.146 1.00 1.27 C ATOM 241 CE1 PHE A 16 -11.238 -10.916 -1.495 1.00 1.31 C ATOM 242 CE2 PHE A 16 -13.155 -9.961 -0.431 1.00 1.27 C ATOM 243 CZ PHE A 16 -12.598 -10.922 -1.253 1.00 0.62 C ATOM 0 H PHE A 16 -8.413 -6.097 1.066 1.00 0.49 H new ATOM 0 HA PHE A 16 -9.510 -7.218 -1.379 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -9.202 -8.398 0.915 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -10.630 -7.509 1.408 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -9.377 -9.949 -1.111 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -12.791 -8.248 0.788 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -10.800 -11.667 -2.136 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -14.218 -9.964 -0.239 1.00 1.27 H new ATOM 0 HZ PHE A 16 -13.225 -11.676 -1.705 1.00 0.62 H new ATOM 253 N SER A 17 -11.099 -4.952 0.472 1.00 0.61 N ATOM 254 CA SER A 17 -12.181 -3.970 0.390 1.00 0.67 C ATOM 255 C SER A 17 -11.728 -2.679 -0.313 1.00 0.74 C ATOM 256 O SER A 17 -12.562 -1.864 -0.718 1.00 0.78 O ATOM 257 CB SER A 17 -12.744 -3.663 1.781 1.00 0.74 C ATOM 258 OG SER A 17 -13.932 -2.892 1.698 1.00 1.41 O ATOM 0 H SER A 17 -10.572 -4.945 1.345 1.00 0.61 H new ATOM 0 HA SER A 17 -12.975 -4.409 -0.214 1.00 0.67 H new ATOM 0 HB2 SER A 17 -12.949 -4.596 2.306 1.00 0.74 H new ATOM 0 HB3 SER A 17 -11.999 -3.125 2.367 1.00 0.74 H new ATOM 0 HG SER A 17 -13.878 -2.289 0.927 1.00 1.41 H new ATOM 264 N LEU A 18 -10.402 -2.509 -0.449 1.00 0.79 N ATOM 265 CA LEU A 18 -9.815 -1.331 -1.117 1.00 0.91 C ATOM 266 C LEU A 18 -9.914 -1.475 -2.645 1.00 0.81 C ATOM 267 O LEU A 18 -10.157 -0.494 -3.354 1.00 0.79 O ATOM 268 CB LEU A 18 -8.343 -1.130 -0.657 1.00 1.26 C ATOM 269 CG LEU A 18 -7.408 -0.318 -1.591 1.00 0.69 C ATOM 270 CD1 LEU A 18 -7.753 1.165 -1.596 1.00 1.59 C ATOM 271 CD2 LEU A 18 -5.948 -0.515 -1.215 1.00 0.83 C ATOM 0 H LEU A 18 -9.712 -3.176 -0.104 1.00 0.79 H new ATOM 0 HA LEU A 18 -10.379 -0.443 -0.832 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -8.358 -0.638 0.315 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -7.899 -2.114 -0.509 1.00 1.26 H new ATOM 0 HG LEU A 18 -7.564 -0.701 -2.600 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -7.073 1.695 -2.263 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -8.778 1.299 -1.942 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -7.655 1.565 -0.587 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -5.317 0.067 -1.887 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -5.788 -0.182 -0.189 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -5.690 -1.571 -1.298 1.00 0.83 H new ATOM 283 N PHE A 19 -9.722 -2.706 -3.127 1.00 0.84 N ATOM 284 CA PHE A 19 -9.796 -3.017 -4.555 1.00 0.86 C ATOM 285 C PHE A 19 -11.149 -3.565 -4.926 1.00 0.75 C ATOM 286 O PHE A 19 -11.743 -3.142 -5.905 1.00 0.79 O ATOM 287 CB PHE A 19 -8.789 -4.102 -4.937 1.00 1.02 C ATOM 288 CG PHE A 19 -7.338 -3.691 -4.971 1.00 0.85 C ATOM 289 CD1 PHE A 19 -6.595 -3.858 -6.130 1.00 1.41 C ATOM 290 CD2 PHE A 19 -6.709 -3.167 -3.848 1.00 1.53 C ATOM 291 CE1 PHE A 19 -5.260 -3.512 -6.170 1.00 1.60 C ATOM 292 CE2 PHE A 19 -5.375 -2.815 -3.887 1.00 1.64 C ATOM 293 CZ PHE A 19 -4.651 -2.989 -5.049 1.00 1.28 C ATOM 0 H PHE A 19 -9.511 -3.512 -2.539 1.00 0.84 H new ATOM 0 HA PHE A 19 -9.591 -2.082 -5.076 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -8.893 -4.928 -4.233 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -9.058 -4.486 -5.921 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -7.067 -4.264 -7.012 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -7.270 -3.034 -2.935 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -4.693 -3.651 -7.078 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -4.898 -2.404 -3.009 1.00 1.64 H new ATOM 0 HZ PHE A 19 -3.607 -2.715 -5.080 1.00 1.28 H new ATOM 303 N ASP A 20 -11.633 -4.516 -4.133 1.00 0.68 N ATOM 304 CA ASP A 20 -12.887 -5.177 -4.430 1.00 0.63 C ATOM 305 C ASP A 20 -14.104 -4.269 -4.136 1.00 0.66 C ATOM 306 O ASP A 20 -14.889 -4.542 -3.218 1.00 0.74 O ATOM 307 CB ASP A 20 -12.989 -6.513 -3.659 1.00 0.60 C ATOM 308 CG ASP A 20 -11.801 -7.432 -3.882 1.00 1.67 C ATOM 309 OD1 ASP A 20 -11.981 -8.493 -4.512 1.00 2.45 O ATOM 310 OD2 ASP A 20 -10.693 -7.091 -3.422 1.00 2.31 O ATOM 0 H ASP A 20 -11.173 -4.842 -3.283 1.00 0.68 H new ATOM 0 HA ASP A 20 -12.902 -5.391 -5.499 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -13.081 -6.303 -2.593 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -13.900 -7.030 -3.961 1.00 0.60 H new ATOM 315 N LYS A 21 -14.249 -3.169 -4.917 1.00 0.73 N ATOM 316 CA LYS A 21 -15.390 -2.245 -4.742 1.00 0.80 C ATOM 317 C LYS A 21 -16.670 -2.878 -5.285 1.00 0.82 C ATOM 318 O LYS A 21 -17.772 -2.617 -4.794 1.00 0.91 O ATOM 319 CB LYS A 21 -15.155 -0.844 -5.340 1.00 1.01 C ATOM 320 CG LYS A 21 -14.619 -0.848 -6.752 1.00 0.97 C ATOM 321 CD LYS A 21 -13.105 -0.851 -6.773 1.00 0.95 C ATOM 322 CE LYS A 21 -12.504 0.556 -6.761 1.00 1.05 C ATOM 323 NZ LYS A 21 -12.695 1.241 -5.450 1.00 1.63 N ATOM 0 H LYS A 21 -13.601 -2.906 -5.660 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.497 -2.083 -3.669 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -16.095 -0.293 -5.323 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -14.457 -0.303 -4.701 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -14.993 -1.725 -7.281 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -14.989 0.028 -7.285 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -12.736 -1.405 -5.910 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -12.761 -1.380 -7.662 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -11.439 0.496 -6.985 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -12.963 1.152 -7.550 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -12.055 2.059 -5.389 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -13.680 1.565 -5.368 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -12.484 0.577 -4.678 1.00 1.63 H new ATOM 337 N ASP A 22 -16.484 -3.714 -6.311 1.00 0.85 N ATOM 338 CA ASP A 22 -17.571 -4.487 -6.919 1.00 0.97 C ATOM 339 C ASP A 22 -17.728 -5.777 -6.100 1.00 0.88 C ATOM 340 O ASP A 22 -18.836 -6.156 -5.712 1.00 1.02 O ATOM 341 CB ASP A 22 -17.259 -4.793 -8.393 1.00 1.12 C ATOM 342 CG ASP A 22 -18.494 -5.170 -9.193 1.00 1.36 C ATOM 343 OD1 ASP A 22 -19.135 -4.260 -9.761 1.00 2.09 O ATOM 344 OD2 ASP A 22 -18.819 -6.374 -9.252 1.00 1.48 O ATOM 0 H ASP A 22 -15.574 -3.874 -6.744 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.503 -3.921 -6.907 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -16.790 -3.921 -8.848 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -16.536 -5.607 -8.445 1.00 1.12 H new ATOM 349 N GLY A 23 -16.577 -6.434 -5.857 1.00 0.75 N ATOM 350 CA GLY A 23 -16.501 -7.628 -5.022 1.00 0.75 C ATOM 351 C GLY A 23 -17.330 -8.820 -5.434 1.00 0.85 C ATOM 352 O GLY A 23 -18.124 -9.330 -4.639 1.00 1.01 O ATOM 0 H GLY A 23 -15.677 -6.143 -6.239 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -15.458 -7.942 -4.979 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -16.792 -7.349 -4.009 1.00 0.75 H new ATOM 356 N ASP A 24 -17.149 -9.261 -6.678 1.00 0.82 N ATOM 357 CA ASP A 24 -17.803 -10.475 -7.189 1.00 0.95 C ATOM 358 C ASP A 24 -17.151 -11.681 -6.490 1.00 0.87 C ATOM 359 O ASP A 24 -17.484 -12.849 -6.714 1.00 0.96 O ATOM 360 CB ASP A 24 -17.527 -10.562 -8.672 1.00 1.00 C ATOM 361 CG ASP A 24 -18.469 -11.495 -9.416 1.00 1.41 C ATOM 362 OD1 ASP A 24 -19.527 -11.023 -9.881 1.00 1.96 O ATOM 363 OD2 ASP A 24 -18.146 -12.696 -9.532 1.00 1.93 O ATOM 0 H ASP A 24 -16.550 -8.794 -7.359 1.00 0.82 H new ATOM 0 HA ASP A 24 -18.877 -10.459 -7.005 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -17.601 -9.565 -9.105 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -16.502 -10.900 -8.822 1.00 1.00 H new ATOM 368 N GLY A 25 -16.221 -11.297 -5.630 1.00 0.74 N ATOM 369 CA GLY A 25 -15.410 -12.189 -4.823 1.00 0.72 C ATOM 370 C GLY A 25 -13.978 -12.181 -5.306 1.00 0.65 C ATOM 371 O GLY A 25 -13.099 -12.817 -4.718 1.00 0.69 O ATOM 0 H GLY A 25 -16.003 -10.313 -5.470 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -15.450 -11.881 -3.778 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -15.812 -13.201 -4.873 1.00 0.72 H new ATOM 375 N THR A 26 -13.773 -11.441 -6.395 1.00 0.62 N ATOM 376 CA THR A 26 -12.476 -11.261 -7.012 1.00 0.58 C ATOM 377 C THR A 26 -12.137 -9.784 -7.208 1.00 0.57 C ATOM 378 O THR A 26 -12.941 -8.898 -6.901 1.00 0.64 O ATOM 379 CB THR A 26 -12.448 -11.931 -8.382 1.00 0.60 C ATOM 380 OG1 THR A 26 -13.609 -11.551 -9.136 1.00 0.63 O ATOM 381 CG2 THR A 26 -12.418 -13.435 -8.233 1.00 0.64 C ATOM 0 H THR A 26 -14.523 -10.944 -6.876 1.00 0.62 H new ATOM 0 HA THR A 26 -11.744 -11.711 -6.342 1.00 0.58 H new ATOM 0 HB THR A 26 -11.549 -11.607 -8.907 1.00 0.60 H new ATOM 0 HG1 THR A 26 -13.834 -12.262 -9.771 1.00 0.63 H new ATOM 0 HG21 THR A 26 -12.398 -13.898 -9.220 1.00 0.64 H new ATOM 0 HG22 THR A 26 -11.527 -13.728 -7.677 1.00 0.64 H new ATOM 0 HG23 THR A 26 -13.307 -13.765 -7.695 1.00 0.64 H new ATOM 389 N ILE A 27 -10.937 -9.547 -7.739 1.00 0.54 N ATOM 390 CA ILE A 27 -10.440 -8.232 -8.023 1.00 0.53 C ATOM 391 C ILE A 27 -10.420 -7.996 -9.484 1.00 0.53 C ATOM 392 O ILE A 27 -9.820 -8.736 -10.243 1.00 0.51 O ATOM 393 CB ILE A 27 -9.059 -8.032 -7.432 1.00 0.49 C ATOM 394 CG1 ILE A 27 -9.259 -7.663 -5.994 1.00 0.52 C ATOM 395 CG2 ILE A 27 -8.225 -6.974 -8.163 1.00 0.47 C ATOM 396 CD1 ILE A 27 -8.733 -8.704 -5.032 1.00 0.54 C ATOM 0 H ILE A 27 -10.282 -10.290 -7.983 1.00 0.54 H new ATOM 0 HA ILE A 27 -11.110 -7.507 -7.561 1.00 0.53 H new ATOM 0 HB ILE A 27 -8.486 -8.953 -7.538 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -8.763 -6.713 -5.797 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -10.323 -7.512 -5.809 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -7.250 -6.885 -7.685 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -8.093 -7.270 -9.204 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.738 -6.013 -8.121 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -8.909 -8.375 -4.008 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -9.247 -9.650 -5.203 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -7.663 -8.839 -5.191 1.00 0.54 H new ATOM 408 N THR A 28 -11.024 -6.917 -9.838 1.00 0.59 N ATOM 409 CA THR A 28 -11.142 -6.542 -11.227 1.00 0.61 C ATOM 410 C THR A 28 -10.144 -5.472 -11.606 1.00 0.58 C ATOM 411 O THR A 28 -9.405 -4.930 -10.780 1.00 0.57 O ATOM 412 CB THR A 28 -12.577 -6.075 -11.532 1.00 0.69 C ATOM 413 OG1 THR A 28 -13.508 -6.679 -10.622 1.00 0.75 O ATOM 414 CG2 THR A 28 -12.999 -6.402 -12.967 1.00 0.73 C ATOM 0 H THR A 28 -11.454 -6.262 -9.185 1.00 0.59 H new ATOM 0 HA THR A 28 -10.919 -7.423 -11.829 1.00 0.61 H new ATOM 0 HB THR A 28 -12.586 -4.992 -11.411 1.00 0.69 H new ATOM 0 HG1 THR A 28 -14.275 -6.082 -10.495 1.00 0.75 H new ATOM 0 HG21 THR A 28 -14.018 -6.054 -13.135 1.00 0.73 H new ATOM 0 HG22 THR A 28 -12.326 -5.906 -13.666 1.00 0.73 H new ATOM 0 HG23 THR A 28 -12.954 -7.480 -13.123 1.00 0.73 H new ATOM 422 N THR A 29 -10.130 -5.233 -12.895 1.00 0.58 N ATOM 423 CA THR A 29 -9.270 -4.266 -13.534 1.00 0.57 C ATOM 424 C THR A 29 -9.665 -2.835 -13.146 1.00 0.62 C ATOM 425 O THR A 29 -8.797 -2.058 -12.746 1.00 0.64 O ATOM 426 CB THR A 29 -9.260 -4.450 -15.085 1.00 0.58 C ATOM 427 OG1 THR A 29 -10.152 -3.529 -15.724 1.00 0.66 O ATOM 428 CG2 THR A 29 -9.646 -5.855 -15.516 1.00 0.59 C ATOM 0 H THR A 29 -10.738 -5.723 -13.551 1.00 0.58 H new ATOM 0 HA THR A 29 -8.255 -4.440 -13.177 1.00 0.57 H new ATOM 0 HB THR A 29 -8.232 -4.259 -15.392 1.00 0.58 H new ATOM 0 HG1 THR A 29 -10.618 -3.981 -16.458 1.00 0.66 H new ATOM 0 HG21 THR A 29 -9.621 -5.922 -16.604 1.00 0.59 H new ATOM 0 HG22 THR A 29 -8.943 -6.572 -15.092 1.00 0.59 H new ATOM 0 HG23 THR A 29 -10.652 -6.081 -15.162 1.00 0.59 H new ATOM 436 N LYS A 30 -10.980 -2.495 -13.200 1.00 0.77 N ATOM 437 CA LYS A 30 -11.433 -1.132 -12.833 1.00 0.85 C ATOM 438 C LYS A 30 -10.961 -0.738 -11.421 1.00 0.84 C ATOM 439 O LYS A 30 -10.920 0.442 -11.087 1.00 0.93 O ATOM 440 CB LYS A 30 -12.961 -0.950 -12.988 1.00 1.01 C ATOM 441 CG LYS A 30 -13.843 -1.759 -12.032 1.00 1.06 C ATOM 442 CD LYS A 30 -14.191 -3.124 -12.603 1.00 1.10 C ATOM 443 CE LYS A 30 -15.396 -3.724 -11.890 1.00 1.16 C ATOM 444 NZ LYS A 30 -15.818 -5.019 -12.487 1.00 1.66 N ATOM 0 H LYS A 30 -11.726 -3.129 -13.487 1.00 0.77 H new ATOM 0 HA LYS A 30 -10.964 -0.451 -13.543 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -13.194 0.107 -12.857 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -13.235 -1.212 -14.010 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -13.327 -1.884 -11.080 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -14.760 -1.206 -11.828 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -14.403 -3.033 -13.668 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -13.336 -3.792 -12.504 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -15.155 -3.873 -10.837 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -16.227 -3.020 -11.930 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -16.857 -5.073 -12.500 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -15.455 -5.088 -13.459 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -15.438 -5.803 -11.919 1.00 1.66 H new ATOM 458 N GLU A 31 -10.613 -1.754 -10.611 1.00 0.82 N ATOM 459 CA GLU A 31 -10.084 -1.555 -9.265 1.00 0.87 C ATOM 460 C GLU A 31 -8.603 -1.239 -9.356 1.00 0.78 C ATOM 461 O GLU A 31 -8.146 -0.189 -8.902 1.00 0.81 O ATOM 462 CB GLU A 31 -10.224 -2.814 -8.372 1.00 1.02 C ATOM 463 CG GLU A 31 -11.268 -3.858 -8.802 1.00 1.82 C ATOM 464 CD GLU A 31 -12.708 -3.419 -8.631 1.00 2.69 C ATOM 465 OE1 GLU A 31 -13.422 -4.036 -7.813 1.00 3.34 O ATOM 466 OE2 GLU A 31 -13.120 -2.460 -9.309 1.00 3.27 O ATOM 0 H GLU A 31 -10.694 -2.735 -10.879 1.00 0.82 H new ATOM 0 HA GLU A 31 -10.658 -0.743 -8.820 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -9.252 -3.306 -8.324 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.467 -2.488 -7.361 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -11.101 -4.109 -9.849 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -11.109 -4.770 -8.226 1.00 1.82 H new ATOM 473 N LEU A 32 -7.878 -2.172 -9.996 1.00 0.68 N ATOM 474 CA LEU A 32 -6.434 -2.101 -10.193 1.00 0.60 C ATOM 475 C LEU A 32 -5.990 -0.782 -10.803 1.00 0.66 C ATOM 476 O LEU A 32 -4.879 -0.337 -10.532 1.00 0.72 O ATOM 477 CB LEU A 32 -5.995 -3.314 -11.036 1.00 0.54 C ATOM 478 CG LEU A 32 -4.487 -3.506 -11.311 1.00 0.46 C ATOM 479 CD1 LEU A 32 -3.622 -3.230 -10.080 1.00 0.49 C ATOM 480 CD2 LEU A 32 -4.230 -4.918 -11.808 1.00 0.44 C ATOM 0 H LEU A 32 -8.296 -3.012 -10.397 1.00 0.68 H new ATOM 0 HA LEU A 32 -5.941 -2.139 -9.221 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -6.360 -4.213 -10.540 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -6.503 -3.252 -11.998 1.00 0.54 H new ATOM 0 HG LEU A 32 -4.206 -2.779 -12.073 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -2.572 -3.380 -10.332 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -3.773 -2.201 -9.753 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -3.904 -3.911 -9.277 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -3.165 -5.048 -12.000 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -4.552 -5.634 -11.052 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -4.788 -5.087 -12.729 1.00 0.44 H new ATOM 492 N GLY A 33 -6.861 -0.170 -11.608 1.00 0.71 N ATOM 493 CA GLY A 33 -6.549 1.113 -12.203 1.00 0.80 C ATOM 494 C GLY A 33 -6.841 2.266 -11.275 1.00 0.83 C ATOM 495 O GLY A 33 -6.141 3.280 -11.292 1.00 0.91 O ATOM 0 H GLY A 33 -7.777 -0.545 -11.856 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -5.496 1.134 -12.483 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -7.125 1.234 -13.120 1.00 0.80 H new ATOM 499 N THR A 34 -7.885 2.104 -10.467 1.00 0.80 N ATOM 500 CA THR A 34 -8.258 3.098 -9.455 1.00 0.84 C ATOM 501 C THR A 34 -7.187 3.128 -8.360 1.00 0.83 C ATOM 502 O THR A 34 -7.057 4.104 -7.616 1.00 0.88 O ATOM 503 CB THR A 34 -9.597 2.717 -8.806 1.00 0.87 C ATOM 504 OG1 THR A 34 -10.584 2.498 -9.817 1.00 0.89 O ATOM 505 CG2 THR A 34 -10.108 3.789 -7.840 1.00 0.96 C ATOM 0 H THR A 34 -8.495 1.287 -10.491 1.00 0.80 H new ATOM 0 HA THR A 34 -8.346 4.072 -9.936 1.00 0.84 H new ATOM 0 HB THR A 34 -9.422 1.805 -8.234 1.00 0.87 H new ATOM 0 HG1 THR A 34 -10.650 1.539 -10.007 1.00 0.89 H new ATOM 0 HG21 THR A 34 -11.057 3.469 -7.410 1.00 0.96 H new ATOM 0 HG22 THR A 34 -9.380 3.937 -7.043 1.00 0.96 H new ATOM 0 HG23 THR A 34 -10.252 4.726 -8.379 1.00 0.96 H new ATOM 513 N VAL A 35 -6.431 2.027 -8.295 1.00 0.77 N ATOM 514 CA VAL A 35 -5.364 1.848 -7.300 1.00 0.79 C ATOM 515 C VAL A 35 -4.073 2.550 -7.743 1.00 0.80 C ATOM 516 O VAL A 35 -3.591 3.488 -7.103 1.00 0.86 O ATOM 517 CB VAL A 35 -5.080 0.331 -7.133 1.00 0.76 C ATOM 518 CG1 VAL A 35 -3.908 0.075 -6.182 1.00 0.80 C ATOM 519 CG2 VAL A 35 -6.326 -0.406 -6.641 1.00 0.79 C ATOM 0 H VAL A 35 -6.540 1.235 -8.929 1.00 0.77 H new ATOM 0 HA VAL A 35 -5.692 2.286 -6.357 1.00 0.79 H new ATOM 0 HB VAL A 35 -4.807 -0.055 -8.115 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -3.741 -0.998 -6.091 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -3.010 0.550 -6.576 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -4.138 0.490 -5.201 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -6.102 -1.467 -6.532 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -6.633 0.001 -5.678 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -7.133 -0.278 -7.362 1.00 0.79 H new ATOM 529 N MET A 36 -3.552 2.046 -8.853 1.00 0.77 N ATOM 530 CA MET A 36 -2.312 2.523 -9.506 1.00 0.81 C ATOM 531 C MET A 36 -2.252 4.030 -9.716 1.00 0.80 C ATOM 532 O MET A 36 -1.245 4.671 -9.423 1.00 0.87 O ATOM 533 CB MET A 36 -2.207 1.914 -10.906 1.00 0.87 C ATOM 534 CG MET A 36 -3.541 1.752 -11.568 1.00 0.86 C ATOM 535 SD MET A 36 -3.434 1.045 -13.225 1.00 1.10 S ATOM 536 CE MET A 36 -3.025 2.504 -14.187 1.00 1.82 C ATOM 0 H MET A 36 -3.985 1.268 -9.351 1.00 0.77 H new ATOM 0 HA MET A 36 -1.508 2.226 -8.832 1.00 0.81 H new ATOM 0 HB2 MET A 36 -1.573 2.547 -11.526 1.00 0.87 H new ATOM 0 HB3 MET A 36 -1.719 0.942 -10.839 1.00 0.87 H new ATOM 0 HG2 MET A 36 -4.171 1.114 -10.948 1.00 0.86 H new ATOM 0 HG3 MET A 36 -4.031 2.724 -11.626 1.00 0.86 H new ATOM 0 HE1 MET A 36 -3.800 2.676 -14.934 1.00 1.82 H new ATOM 0 HE2 MET A 36 -2.959 3.369 -13.527 1.00 1.82 H new ATOM 0 HE3 MET A 36 -2.067 2.355 -14.685 1.00 1.82 H new ATOM 546 N ARG A 37 -3.349 4.570 -10.243 1.00 0.79 N ATOM 547 CA ARG A 37 -3.434 5.971 -10.618 1.00 0.85 C ATOM 548 C ARG A 37 -3.091 6.953 -9.490 1.00 0.94 C ATOM 549 O ARG A 37 -2.595 8.056 -9.737 1.00 1.01 O ATOM 550 CB ARG A 37 -4.828 6.289 -11.143 1.00 0.96 C ATOM 551 CG ARG A 37 -5.078 5.806 -12.563 1.00 1.49 C ATOM 552 CD ARG A 37 -6.498 6.109 -13.014 1.00 1.68 C ATOM 553 NE ARG A 37 -6.759 5.621 -14.373 1.00 2.53 N ATOM 554 CZ ARG A 37 -7.970 5.568 -14.946 1.00 2.93 C ATOM 555 NH1 ARG A 37 -9.059 5.971 -14.295 1.00 2.47 N ATOM 556 NH2 ARG A 37 -8.088 5.106 -16.184 1.00 3.94 N ATOM 0 H ARG A 37 -4.204 4.043 -10.421 1.00 0.79 H new ATOM 0 HA ARG A 37 -2.679 6.109 -11.392 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -5.567 5.837 -10.481 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -4.983 7.367 -11.104 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -4.370 6.284 -13.241 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -4.899 4.732 -12.620 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -7.204 5.650 -12.322 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -6.669 7.185 -12.976 1.00 1.68 H new ATOM 0 HE ARG A 37 -5.962 5.299 -14.921 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -8.981 6.328 -13.343 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -9.971 5.923 -14.748 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -7.261 4.794 -16.693 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -9.006 5.063 -16.627 1.00 3.94 H new ATOM 570 N SER A 38 -3.366 6.522 -8.264 1.00 1.00 N ATOM 571 CA SER A 38 -3.152 7.330 -7.049 1.00 1.16 C ATOM 572 C SER A 38 -1.685 7.670 -6.738 1.00 1.17 C ATOM 573 O SER A 38 -1.426 8.613 -5.983 1.00 1.33 O ATOM 574 CB SER A 38 -3.776 6.626 -5.844 1.00 1.37 C ATOM 575 OG SER A 38 -5.170 6.444 -6.025 1.00 1.82 O ATOM 0 H SER A 38 -3.747 5.595 -8.074 1.00 1.00 H new ATOM 0 HA SER A 38 -3.638 8.285 -7.251 1.00 1.16 H new ATOM 0 HB2 SER A 38 -3.296 5.659 -5.695 1.00 1.37 H new ATOM 0 HB3 SER A 38 -3.597 7.213 -4.943 1.00 1.37 H new ATOM 0 HG SER A 38 -5.488 5.735 -5.427 1.00 1.82 H new ATOM 581 N LEU A 39 -0.737 6.921 -7.305 1.00 1.11 N ATOM 582 CA LEU A 39 0.677 7.161 -7.055 1.00 1.26 C ATOM 583 C LEU A 39 1.330 8.082 -8.099 1.00 1.23 C ATOM 584 O LEU A 39 2.438 8.579 -7.872 1.00 1.39 O ATOM 585 CB LEU A 39 1.444 5.829 -6.925 1.00 1.42 C ATOM 586 CG LEU A 39 1.182 4.741 -7.986 1.00 1.43 C ATOM 587 CD1 LEU A 39 1.797 5.103 -9.326 1.00 1.18 C ATOM 588 CD2 LEU A 39 1.709 3.398 -7.508 1.00 2.07 C ATOM 0 H LEU A 39 -0.927 6.145 -7.939 1.00 1.11 H new ATOM 0 HA LEU A 39 0.738 7.693 -6.106 1.00 1.26 H new ATOM 0 HB2 LEU A 39 2.510 6.055 -6.933 1.00 1.42 H new ATOM 0 HB3 LEU A 39 1.215 5.405 -5.947 1.00 1.42 H new ATOM 0 HG LEU A 39 0.103 4.670 -8.126 1.00 1.43 H new ATOM 0 HD11 LEU A 39 1.591 4.312 -10.047 1.00 1.18 H new ATOM 0 HD12 LEU A 39 1.368 6.039 -9.682 1.00 1.18 H new ATOM 0 HD13 LEU A 39 2.875 5.218 -9.212 1.00 1.18 H new ATOM 0 HD21 LEU A 39 1.517 2.640 -8.268 1.00 2.07 H new ATOM 0 HD22 LEU A 39 2.782 3.470 -7.331 1.00 2.07 H new ATOM 0 HD23 LEU A 39 1.207 3.119 -6.582 1.00 2.07 H new ATOM 600 N GLY A 40 0.647 8.303 -9.231 1.00 1.12 N ATOM 601 CA GLY A 40 1.182 9.174 -10.275 1.00 1.21 C ATOM 602 C GLY A 40 1.629 8.440 -11.525 1.00 1.24 C ATOM 603 O GLY A 40 2.576 8.864 -12.194 1.00 1.48 O ATOM 0 H GLY A 40 -0.264 7.895 -9.441 1.00 1.12 H new ATOM 0 HA2 GLY A 40 0.421 9.905 -10.548 1.00 1.21 H new ATOM 0 HA3 GLY A 40 2.028 9.730 -9.871 1.00 1.21 H new ATOM 607 N GLN A 41 0.945 7.344 -11.829 1.00 1.05 N ATOM 608 CA GLN A 41 1.236 6.530 -13.016 1.00 1.08 C ATOM 609 C GLN A 41 0.361 6.964 -14.197 1.00 1.03 C ATOM 610 O GLN A 41 -0.573 7.752 -14.022 1.00 1.04 O ATOM 611 CB GLN A 41 1.002 5.045 -12.711 1.00 1.08 C ATOM 612 CG GLN A 41 2.275 4.218 -12.666 1.00 1.30 C ATOM 613 CD GLN A 41 2.030 2.806 -12.172 1.00 2.18 C ATOM 614 OE1 GLN A 41 2.140 2.526 -10.978 1.00 2.69 O ATOM 615 NE2 GLN A 41 1.687 1.909 -13.088 1.00 3.01 N ATOM 0 H GLN A 41 0.173 6.990 -11.264 1.00 1.05 H new ATOM 0 HA GLN A 41 2.282 6.678 -13.284 1.00 1.08 H new ATOM 0 HB2 GLN A 41 0.489 4.957 -11.753 1.00 1.08 H new ATOM 0 HB3 GLN A 41 0.337 4.629 -13.468 1.00 1.08 H new ATOM 0 HG2 GLN A 41 2.716 4.180 -13.662 1.00 1.30 H new ATOM 0 HG3 GLN A 41 3.000 4.707 -12.015 1.00 1.30 H new ATOM 0 HE21 GLN A 41 1.607 2.184 -14.067 1.00 3.01 H new ATOM 0 HE22 GLN A 41 1.503 0.944 -12.813 1.00 3.01 H new ATOM 624 N ASN A 42 0.670 6.444 -15.400 1.00 1.26 N ATOM 625 CA ASN A 42 -0.095 6.762 -16.616 1.00 1.34 C ATOM 626 C ASN A 42 -1.513 6.152 -16.537 1.00 0.89 C ATOM 627 O ASN A 42 -1.658 4.927 -16.627 1.00 1.50 O ATOM 628 CB ASN A 42 0.640 6.244 -17.861 1.00 2.22 C ATOM 629 CG ASN A 42 1.902 7.030 -18.163 1.00 3.03 C ATOM 630 OD1 ASN A 42 1.871 8.021 -18.892 1.00 3.77 O ATOM 631 ND2 ASN A 42 3.022 6.590 -17.601 1.00 3.37 N ATOM 0 H ASN A 42 1.446 5.801 -15.554 1.00 1.26 H new ATOM 0 HA ASN A 42 -0.188 7.845 -16.692 1.00 1.34 H new ATOM 0 HB2 ASN A 42 0.896 5.194 -17.717 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -0.029 6.294 -18.720 1.00 2.22 H new ATOM 0 HD21 ASN A 42 3.902 7.078 -17.767 1.00 3.37 H new ATOM 0 HD22 ASN A 42 3.002 5.764 -17.003 1.00 3.37 H new ATOM 638 N PRO A 43 -2.589 6.987 -16.349 1.00 1.06 N ATOM 639 CA PRO A 43 -3.971 6.479 -16.236 1.00 1.66 C ATOM 640 C PRO A 43 -4.524 5.893 -17.543 1.00 1.29 C ATOM 641 O PRO A 43 -5.157 6.594 -18.345 1.00 1.26 O ATOM 642 CB PRO A 43 -4.790 7.713 -15.804 1.00 2.73 C ATOM 643 CG PRO A 43 -3.795 8.752 -15.415 1.00 2.76 C ATOM 644 CD PRO A 43 -2.559 8.462 -16.214 1.00 1.85 C ATOM 0 HA PRO A 43 -4.020 5.649 -15.531 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -5.423 8.065 -16.618 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -5.448 7.472 -14.969 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -4.172 9.752 -15.629 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -3.587 8.712 -14.346 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -2.581 8.957 -17.185 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -1.659 8.802 -15.703 1.00 1.85 H new ATOM 652 N THR A 44 -4.251 4.603 -17.756 1.00 1.26 N ATOM 653 CA THR A 44 -4.738 3.888 -18.921 1.00 1.00 C ATOM 654 C THR A 44 -5.917 3.000 -18.557 1.00 0.85 C ATOM 655 O THR A 44 -6.021 2.512 -17.428 1.00 0.89 O ATOM 656 CB THR A 44 -3.643 3.027 -19.566 1.00 1.17 C ATOM 657 OG1 THR A 44 -2.434 3.099 -18.804 1.00 1.51 O ATOM 658 CG2 THR A 44 -3.371 3.504 -20.965 1.00 1.33 C ATOM 0 H THR A 44 -3.688 4.034 -17.124 1.00 1.26 H new ATOM 0 HA THR A 44 -5.054 4.643 -19.641 1.00 1.00 H new ATOM 0 HB THR A 44 -3.991 1.994 -19.590 1.00 1.17 H new ATOM 0 HG1 THR A 44 -1.678 2.826 -19.364 1.00 1.51 H new ATOM 0 HG21 THR A 44 -2.593 2.887 -21.415 1.00 1.33 H new ATOM 0 HG22 THR A 44 -4.282 3.429 -21.559 1.00 1.33 H new ATOM 0 HG23 THR A 44 -3.041 4.542 -20.938 1.00 1.33 H new ATOM 666 N GLU A 45 -6.795 2.802 -19.536 1.00 0.76 N ATOM 667 CA GLU A 45 -8.002 1.985 -19.376 1.00 0.72 C ATOM 668 C GLU A 45 -7.679 0.516 -19.572 1.00 0.71 C ATOM 669 O GLU A 45 -8.378 -0.350 -19.064 1.00 0.70 O ATOM 670 CB GLU A 45 -9.095 2.422 -20.358 1.00 0.79 C ATOM 671 CG GLU A 45 -9.726 3.766 -20.021 1.00 0.85 C ATOM 672 CD GLU A 45 -10.798 4.171 -21.014 1.00 1.41 C ATOM 673 OE1 GLU A 45 -10.460 4.844 -22.010 1.00 2.03 O ATOM 674 OE2 GLU A 45 -11.975 3.815 -20.794 1.00 1.97 O ATOM 0 H GLU A 45 -6.692 3.204 -20.468 1.00 0.76 H new ATOM 0 HA GLU A 45 -8.375 2.131 -18.362 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -8.670 2.472 -21.360 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -9.875 1.661 -20.380 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -10.160 3.720 -19.022 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -8.951 4.532 -19.996 1.00 0.85 H new ATOM 681 N ALA A 46 -6.666 0.254 -20.395 1.00 0.75 N ATOM 682 CA ALA A 46 -6.208 -1.092 -20.647 1.00 0.78 C ATOM 683 C ALA A 46 -5.140 -1.515 -19.654 1.00 0.76 C ATOM 684 O ALA A 46 -4.905 -2.705 -19.499 1.00 0.77 O ATOM 685 CB ALA A 46 -5.719 -1.240 -22.080 1.00 0.90 C ATOM 0 H ALA A 46 -6.147 0.973 -20.900 1.00 0.75 H new ATOM 0 HA ALA A 46 -7.058 -1.760 -20.511 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -5.379 -2.263 -22.245 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -6.534 -1.013 -22.768 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -4.893 -0.551 -22.256 1.00 0.90 H new ATOM 691 N GLU A 47 -4.494 -0.541 -18.977 1.00 0.77 N ATOM 692 CA GLU A 47 -3.442 -0.866 -17.977 1.00 0.81 C ATOM 693 C GLU A 47 -3.951 -1.813 -16.898 1.00 0.68 C ATOM 694 O GLU A 47 -3.217 -2.683 -16.450 1.00 0.62 O ATOM 695 CB GLU A 47 -2.883 0.393 -17.312 1.00 0.95 C ATOM 696 CG GLU A 47 -1.422 0.678 -17.642 1.00 1.30 C ATOM 697 CD GLU A 47 -0.451 -0.218 -16.893 1.00 1.55 C ATOM 698 OE1 GLU A 47 -0.091 0.123 -15.746 1.00 2.16 O ATOM 699 OE2 GLU A 47 -0.053 -1.259 -17.456 1.00 2.13 O ATOM 0 H GLU A 47 -4.673 0.456 -19.097 1.00 0.77 H new ATOM 0 HA GLU A 47 -2.645 -1.361 -18.532 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -3.486 1.249 -17.615 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -2.988 0.296 -16.231 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -1.268 0.553 -18.714 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -1.200 1.719 -17.407 1.00 1.30 H new ATOM 706 N LEU A 48 -5.206 -1.637 -16.498 1.00 0.66 N ATOM 707 CA LEU A 48 -5.836 -2.485 -15.496 1.00 0.59 C ATOM 708 C LEU A 48 -6.270 -3.821 -16.113 1.00 0.55 C ATOM 709 O LEU A 48 -6.146 -4.864 -15.469 1.00 0.56 O ATOM 710 CB LEU A 48 -6.988 -1.729 -14.810 1.00 0.61 C ATOM 711 CG LEU A 48 -7.723 -0.668 -15.642 1.00 0.76 C ATOM 712 CD1 LEU A 48 -8.549 -1.309 -16.719 1.00 0.87 C ATOM 713 CD2 LEU A 48 -8.617 0.205 -14.779 1.00 1.24 C ATOM 0 H LEU A 48 -5.814 -0.902 -16.860 1.00 0.66 H new ATOM 0 HA LEU A 48 -5.113 -2.730 -14.718 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -7.721 -2.462 -14.474 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -6.591 -1.244 -13.918 1.00 0.61 H new ATOM 0 HG LEU A 48 -6.958 -0.039 -16.097 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -9.060 -0.537 -17.294 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -7.901 -1.885 -17.380 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -9.287 -1.971 -16.266 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -9.119 0.943 -15.405 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -9.362 -0.416 -14.282 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -8.013 0.716 -14.030 1.00 1.24 H new ATOM 725 N GLN A 49 -6.776 -3.788 -17.362 1.00 0.57 N ATOM 726 CA GLN A 49 -7.146 -5.011 -18.091 1.00 0.60 C ATOM 727 C GLN A 49 -5.882 -5.762 -18.543 1.00 0.59 C ATOM 728 O GLN A 49 -5.915 -6.976 -18.765 1.00 0.61 O ATOM 729 CB GLN A 49 -8.015 -4.683 -19.313 1.00 0.67 C ATOM 730 CG GLN A 49 -9.403 -4.154 -18.976 1.00 0.80 C ATOM 731 CD GLN A 49 -10.116 -3.580 -20.185 1.00 1.03 C ATOM 732 OE1 GLN A 49 -10.859 -4.424 -20.890 1.00 1.67 O flip ATOM 733 NE2 GLN A 49 -10.000 -2.391 -20.482 1.00 1.52 N flip ATOM 0 H GLN A 49 -6.937 -2.927 -17.884 1.00 0.57 H new ATOM 0 HA GLN A 49 -7.722 -5.644 -17.416 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -7.497 -3.944 -19.924 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -8.120 -5.582 -19.920 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -10.003 -4.960 -18.554 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -9.318 -3.384 -18.209 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -9.418 -1.777 -19.912 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -10.486 -2.020 -21.298 1.00 1.52 H new ATOM 742 N ASP A 50 -4.773 -5.009 -18.673 1.00 0.58 N ATOM 743 CA ASP A 50 -3.473 -5.559 -19.066 1.00 0.57 C ATOM 744 C ASP A 50 -2.709 -6.049 -17.840 1.00 0.49 C ATOM 745 O ASP A 50 -2.085 -7.111 -17.882 1.00 0.48 O ATOM 746 CB ASP A 50 -2.632 -4.525 -19.823 1.00 0.63 C ATOM 747 CG ASP A 50 -3.051 -4.383 -21.273 1.00 1.03 C ATOM 748 OD1 ASP A 50 -2.924 -5.371 -22.028 1.00 1.83 O ATOM 749 OD2 ASP A 50 -3.500 -3.284 -21.657 1.00 1.48 O ATOM 0 H ASP A 50 -4.759 -4.003 -18.507 1.00 0.58 H new ATOM 0 HA ASP A 50 -3.660 -6.400 -19.733 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -2.719 -3.558 -19.327 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -1.582 -4.813 -19.778 1.00 0.63 H new ATOM 754 N MET A 51 -2.743 -5.259 -16.743 1.00 0.45 N ATOM 755 CA MET A 51 -2.067 -5.659 -15.492 1.00 0.41 C ATOM 756 C MET A 51 -2.640 -6.967 -14.927 1.00 0.39 C ATOM 757 O MET A 51 -1.924 -7.698 -14.236 1.00 0.38 O ATOM 758 CB MET A 51 -2.093 -4.550 -14.426 1.00 0.41 C ATOM 759 CG MET A 51 -1.053 -3.462 -14.659 1.00 0.48 C ATOM 760 SD MET A 51 0.639 -4.087 -14.601 1.00 1.31 S ATOM 761 CE MET A 51 1.536 -2.699 -15.290 1.00 1.31 C ATOM 0 H MET A 51 -3.221 -4.359 -16.699 1.00 0.45 H new ATOM 0 HA MET A 51 -1.023 -5.831 -15.755 1.00 0.41 H new ATOM 0 HB2 MET A 51 -3.084 -4.097 -14.408 1.00 0.41 H new ATOM 0 HB3 MET A 51 -1.928 -4.995 -13.445 1.00 0.41 H new ATOM 0 HG2 MET A 51 -1.231 -2.998 -15.629 1.00 0.48 H new ATOM 0 HG3 MET A 51 -1.174 -2.683 -13.906 1.00 0.48 H new ATOM 0 HE1 MET A 51 2.592 -2.785 -15.035 1.00 1.31 H new ATOM 0 HE2 MET A 51 1.424 -2.695 -16.374 1.00 1.31 H new ATOM 0 HE3 MET A 51 1.139 -1.770 -14.881 1.00 1.31 H new ATOM 771 N ILE A 52 -3.926 -7.262 -15.215 1.00 0.41 N ATOM 772 CA ILE A 52 -4.535 -8.521 -14.763 1.00 0.42 C ATOM 773 C ILE A 52 -4.227 -9.667 -15.757 1.00 0.46 C ATOM 774 O ILE A 52 -4.387 -10.844 -15.428 1.00 0.49 O ATOM 775 CB ILE A 52 -6.067 -8.434 -14.533 1.00 0.45 C ATOM 776 CG1 ILE A 52 -6.415 -7.235 -13.630 1.00 0.45 C ATOM 777 CG2 ILE A 52 -6.573 -9.727 -13.931 1.00 0.47 C ATOM 778 CD1 ILE A 52 -7.362 -7.498 -12.441 1.00 0.48 C ATOM 0 H ILE A 52 -4.548 -6.655 -15.748 1.00 0.41 H new ATOM 0 HA ILE A 52 -4.083 -8.729 -13.794 1.00 0.42 H new ATOM 0 HB ILE A 52 -6.558 -8.282 -15.494 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -5.484 -6.827 -13.236 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -6.863 -6.461 -14.254 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -7.649 -9.658 -13.773 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -6.358 -10.553 -14.609 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -6.076 -9.903 -12.977 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -7.522 -6.571 -11.891 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -8.317 -7.869 -12.812 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -6.917 -8.241 -11.779 1.00 0.48 H new ATOM 790 N ASN A 53 -3.761 -9.302 -16.959 1.00 0.49 N ATOM 791 CA ASN A 53 -3.441 -10.246 -18.020 1.00 0.56 C ATOM 792 C ASN A 53 -2.154 -11.001 -17.720 1.00 0.58 C ATOM 793 O ASN A 53 -2.103 -12.229 -17.801 1.00 0.65 O ATOM 794 CB ASN A 53 -3.265 -9.451 -19.290 1.00 0.58 C ATOM 795 CG ASN A 53 -4.084 -9.979 -20.451 1.00 0.65 C ATOM 796 OD1 ASN A 53 -5.228 -9.572 -20.655 1.00 1.27 O ATOM 797 ND2 ASN A 53 -3.501 -10.892 -21.219 1.00 1.35 N ATOM 0 H ASN A 53 -3.596 -8.329 -17.218 1.00 0.49 H new ATOM 0 HA ASN A 53 -4.242 -10.979 -18.111 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -3.542 -8.414 -19.102 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -2.211 -9.454 -19.568 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -4.003 -11.285 -22.015 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -2.551 -11.200 -21.013 1.00 1.35 H new ATOM 804 N GLU A 54 -1.109 -10.233 -17.403 1.00 0.55 N ATOM 805 CA GLU A 54 0.208 -10.801 -17.065 1.00 0.59 C ATOM 806 C GLU A 54 0.210 -11.441 -15.687 1.00 0.57 C ATOM 807 O GLU A 54 1.008 -12.344 -15.414 1.00 0.62 O ATOM 808 CB GLU A 54 1.314 -9.747 -17.172 1.00 0.61 C ATOM 809 CG GLU A 54 1.656 -9.356 -18.603 1.00 0.79 C ATOM 810 CD GLU A 54 2.749 -8.309 -18.675 1.00 1.15 C ATOM 811 OE1 GLU A 54 2.420 -7.104 -18.652 1.00 1.78 O ATOM 812 OE2 GLU A 54 3.935 -8.693 -18.754 1.00 1.82 O ATOM 0 H GLU A 54 -1.145 -9.214 -17.372 1.00 0.55 H new ATOM 0 HA GLU A 54 0.412 -11.584 -17.795 1.00 0.59 H new ATOM 0 HB2 GLU A 54 1.007 -8.855 -16.625 1.00 0.61 H new ATOM 0 HB3 GLU A 54 2.212 -10.126 -16.685 1.00 0.61 H new ATOM 0 HG2 GLU A 54 1.971 -10.243 -19.153 1.00 0.79 H new ATOM 0 HG3 GLU A 54 0.761 -8.976 -19.096 1.00 0.79 H new ATOM 819 N VAL A 55 -0.682 -10.967 -14.833 1.00 0.50 N ATOM 820 CA VAL A 55 -0.846 -11.527 -13.502 1.00 0.48 C ATOM 821 C VAL A 55 -2.214 -12.221 -13.502 1.00 0.48 C ATOM 822 O VAL A 55 -3.003 -12.132 -12.556 1.00 0.45 O ATOM 823 CB VAL A 55 -0.730 -10.451 -12.377 1.00 0.44 C ATOM 824 CG1 VAL A 55 -0.266 -11.091 -11.073 1.00 0.47 C ATOM 825 CG2 VAL A 55 0.228 -9.328 -12.769 1.00 0.48 C ATOM 0 H VAL A 55 -1.308 -10.189 -15.040 1.00 0.50 H new ATOM 0 HA VAL A 55 -0.046 -12.233 -13.280 1.00 0.48 H new ATOM 0 HB VAL A 55 -1.721 -10.019 -12.236 1.00 0.44 H new ATOM 0 HG11 VAL A 55 -0.190 -10.327 -10.299 1.00 0.47 H new ATOM 0 HG12 VAL A 55 -0.985 -11.850 -10.764 1.00 0.47 H new ATOM 0 HG13 VAL A 55 0.709 -11.554 -11.222 1.00 0.47 H new ATOM 0 HG21 VAL A 55 0.283 -8.598 -11.961 1.00 0.48 H new ATOM 0 HG22 VAL A 55 1.219 -9.743 -12.951 1.00 0.48 H new ATOM 0 HG23 VAL A 55 -0.134 -8.841 -13.674 1.00 0.48 H new ATOM 835 N ASP A 56 -2.443 -12.941 -14.619 1.00 0.55 N ATOM 836 CA ASP A 56 -3.697 -13.660 -14.908 1.00 0.60 C ATOM 837 C ASP A 56 -4.074 -14.746 -13.880 1.00 0.61 C ATOM 838 O ASP A 56 -3.531 -15.859 -13.902 1.00 0.65 O ATOM 839 CB ASP A 56 -3.574 -14.295 -16.303 1.00 0.75 C ATOM 840 CG ASP A 56 -4.904 -14.473 -17.004 1.00 0.98 C ATOM 841 OD1 ASP A 56 -5.257 -13.610 -17.835 1.00 1.58 O ATOM 842 OD2 ASP A 56 -5.594 -15.477 -16.724 1.00 1.87 O ATOM 0 H ASP A 56 -1.747 -13.040 -15.358 1.00 0.55 H new ATOM 0 HA ASP A 56 -4.499 -12.924 -14.856 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -2.927 -13.673 -16.921 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -3.088 -15.266 -16.210 1.00 0.75 H new ATOM 847 N ALA A 57 -4.993 -14.393 -12.962 1.00 0.59 N ATOM 848 CA ALA A 57 -5.505 -15.348 -11.971 1.00 0.62 C ATOM 849 C ALA A 57 -6.724 -16.077 -12.526 1.00 0.68 C ATOM 850 O ALA A 57 -6.801 -17.308 -12.511 1.00 0.74 O ATOM 851 CB ALA A 57 -5.886 -14.637 -10.680 1.00 0.60 C ATOM 0 H ALA A 57 -5.392 -13.457 -12.889 1.00 0.59 H new ATOM 0 HA ALA A 57 -4.715 -16.068 -11.756 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -6.263 -15.365 -9.961 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -5.009 -14.139 -10.267 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -6.660 -13.897 -10.887 1.00 0.60 H new ATOM 857 N ASP A 58 -7.662 -15.270 -13.012 1.00 0.68 N ATOM 858 CA ASP A 58 -8.900 -15.748 -13.621 1.00 0.75 C ATOM 859 C ASP A 58 -8.956 -15.328 -15.099 1.00 0.75 C ATOM 860 O ASP A 58 -9.648 -15.948 -15.911 1.00 0.83 O ATOM 861 CB ASP A 58 -10.083 -15.205 -12.800 1.00 0.77 C ATOM 862 CG ASP A 58 -11.447 -15.431 -13.438 1.00 0.90 C ATOM 863 OD1 ASP A 58 -12.052 -14.446 -13.909 1.00 1.36 O ATOM 864 OD2 ASP A 58 -11.905 -16.593 -13.465 1.00 1.62 O ATOM 0 H ASP A 58 -7.583 -14.253 -12.994 1.00 0.68 H new ATOM 0 HA ASP A 58 -8.949 -16.837 -13.609 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -10.073 -15.675 -11.816 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -9.941 -14.136 -12.644 1.00 0.77 H new ATOM 869 N GLY A 59 -8.210 -14.263 -15.410 1.00 0.68 N ATOM 870 CA GLY A 59 -8.070 -13.741 -16.761 1.00 0.68 C ATOM 871 C GLY A 59 -9.296 -13.117 -17.362 1.00 0.72 C ATOM 872 O GLY A 59 -9.323 -12.842 -18.566 1.00 0.75 O ATOM 0 H GLY A 59 -7.681 -13.736 -14.715 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -7.273 -12.998 -16.760 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -7.746 -14.554 -17.410 1.00 0.68 H new ATOM 876 N ASN A 60 -10.308 -12.894 -16.540 1.00 0.73 N ATOM 877 CA ASN A 60 -11.491 -12.206 -16.982 1.00 0.78 C ATOM 878 C ASN A 60 -11.334 -10.760 -16.553 1.00 0.72 C ATOM 879 O ASN A 60 -12.290 -9.976 -16.501 1.00 0.77 O ATOM 880 CB ASN A 60 -12.766 -12.842 -16.409 1.00 0.86 C ATOM 881 CG ASN A 60 -13.046 -14.216 -16.989 1.00 1.28 C ATOM 882 OD1 ASN A 60 -12.597 -15.231 -16.457 1.00 1.86 O ATOM 883 ND2 ASN A 60 -13.792 -14.254 -18.087 1.00 2.03 N ATOM 0 H ASN A 60 -10.326 -13.184 -15.562 1.00 0.73 H new ATOM 0 HA ASN A 60 -11.599 -12.275 -18.064 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -12.672 -12.921 -15.326 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -13.615 -12.188 -16.609 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -14.013 -15.149 -18.522 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -14.144 -13.388 -18.495 1.00 2.03 H new ATOM 890 N GLY A 61 -10.061 -10.434 -16.271 1.00 0.64 N ATOM 891 CA GLY A 61 -9.693 -9.120 -15.802 1.00 0.59 C ATOM 892 C GLY A 61 -9.838 -9.045 -14.304 1.00 0.56 C ATOM 893 O GLY A 61 -10.089 -7.989 -13.721 1.00 0.56 O ATOM 0 H GLY A 61 -9.277 -11.079 -16.366 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -8.665 -8.899 -16.087 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -10.324 -8.367 -16.274 1.00 0.59 H new ATOM 897 N THR A 62 -9.700 -10.211 -13.706 1.00 0.56 N ATOM 898 CA THR A 62 -9.836 -10.382 -12.281 1.00 0.54 C ATOM 899 C THR A 62 -8.661 -11.109 -11.675 1.00 0.50 C ATOM 900 O THR A 62 -8.117 -12.046 -12.268 1.00 0.51 O ATOM 901 CB THR A 62 -11.095 -11.164 -11.908 1.00 0.59 C ATOM 902 OG1 THR A 62 -11.611 -11.880 -13.040 1.00 0.65 O ATOM 903 CG2 THR A 62 -12.157 -10.235 -11.349 1.00 0.62 C ATOM 0 H THR A 62 -9.488 -11.075 -14.206 1.00 0.56 H new ATOM 0 HA THR A 62 -9.893 -9.368 -11.884 1.00 0.54 H new ATOM 0 HB THR A 62 -10.823 -11.887 -11.139 1.00 0.59 H new ATOM 0 HG1 THR A 62 -11.630 -12.839 -12.840 1.00 0.65 H new ATOM 0 HG21 THR A 62 -13.045 -10.812 -11.090 1.00 0.62 H new ATOM 0 HG22 THR A 62 -11.774 -9.739 -10.457 1.00 0.62 H new ATOM 0 HG23 THR A 62 -12.416 -9.486 -12.098 1.00 0.62 H new ATOM 911 N ILE A 63 -8.284 -10.660 -10.486 1.00 0.47 N ATOM 912 CA ILE A 63 -7.211 -11.252 -9.746 1.00 0.45 C ATOM 913 C ILE A 63 -7.717 -11.617 -8.349 1.00 0.46 C ATOM 914 O ILE A 63 -8.491 -10.881 -7.733 1.00 0.48 O ATOM 915 CB ILE A 63 -5.988 -10.314 -9.712 1.00 0.41 C ATOM 916 CG1 ILE A 63 -4.707 -11.062 -10.084 1.00 0.40 C ATOM 917 CG2 ILE A 63 -5.848 -9.646 -8.367 1.00 0.43 C ATOM 918 CD1 ILE A 63 -3.520 -10.146 -10.290 1.00 0.42 C ATOM 0 H ILE A 63 -8.725 -9.869 -10.017 1.00 0.47 H new ATOM 0 HA ILE A 63 -6.876 -12.167 -10.234 1.00 0.45 H new ATOM 0 HB ILE A 63 -6.151 -9.535 -10.457 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -4.472 -11.780 -9.298 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -4.879 -11.633 -10.996 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -4.977 -8.991 -8.375 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -6.742 -9.058 -8.158 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -5.724 -10.405 -7.595 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -2.644 -10.739 -10.551 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -3.737 -9.445 -11.096 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -3.323 -9.593 -9.371 1.00 0.42 H new ATOM 930 N ASP A 64 -7.292 -12.768 -7.898 1.00 0.48 N ATOM 931 CA ASP A 64 -7.680 -13.315 -6.606 1.00 0.51 C ATOM 932 C ASP A 64 -6.552 -13.159 -5.577 1.00 0.54 C ATOM 933 O ASP A 64 -5.539 -12.516 -5.859 1.00 0.54 O ATOM 934 CB ASP A 64 -8.055 -14.783 -6.799 1.00 0.57 C ATOM 935 CG ASP A 64 -9.474 -14.957 -7.303 1.00 0.65 C ATOM 936 OD1 ASP A 64 -9.669 -14.970 -8.536 1.00 1.25 O ATOM 937 OD2 ASP A 64 -10.391 -15.081 -6.464 1.00 1.33 O ATOM 0 H ASP A 64 -6.655 -13.369 -8.421 1.00 0.48 H new ATOM 0 HA ASP A 64 -8.537 -12.766 -6.216 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -7.363 -15.242 -7.505 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -7.941 -15.311 -5.852 1.00 0.57 H new ATOM 942 N PHE A 65 -6.732 -13.766 -4.389 1.00 0.62 N ATOM 943 CA PHE A 65 -5.745 -13.695 -3.296 1.00 0.73 C ATOM 944 C PHE A 65 -4.396 -14.404 -3.609 1.00 0.78 C ATOM 945 O PHE A 65 -3.361 -13.914 -3.155 1.00 0.86 O ATOM 946 CB PHE A 65 -6.341 -14.232 -1.975 1.00 0.82 C ATOM 947 CG PHE A 65 -6.983 -15.598 -2.059 1.00 0.82 C ATOM 948 CD1 PHE A 65 -8.287 -15.741 -2.508 1.00 1.39 C ATOM 949 CD2 PHE A 65 -6.279 -16.731 -1.684 1.00 1.51 C ATOM 950 CE1 PHE A 65 -8.875 -16.990 -2.583 1.00 1.43 C ATOM 951 CE2 PHE A 65 -6.862 -17.982 -1.757 1.00 1.52 C ATOM 952 CZ PHE A 65 -8.162 -18.111 -2.207 1.00 0.90 C ATOM 0 H PHE A 65 -7.560 -14.316 -4.161 1.00 0.62 H new ATOM 0 HA PHE A 65 -5.511 -12.636 -3.187 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -5.549 -14.267 -1.227 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -7.086 -13.521 -1.617 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -8.849 -14.867 -2.802 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -5.263 -16.635 -1.331 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -9.891 -17.089 -2.935 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -6.302 -18.857 -1.463 1.00 1.52 H new ATOM 0 HZ PHE A 65 -8.620 -19.087 -2.265 1.00 0.90 H new ATOM 962 N PRO A 66 -4.351 -15.554 -4.376 1.00 0.79 N ATOM 963 CA PRO A 66 -3.075 -16.247 -4.682 1.00 0.89 C ATOM 964 C PRO A 66 -2.136 -15.442 -5.592 1.00 0.79 C ATOM 965 O PRO A 66 -0.917 -15.510 -5.430 1.00 0.82 O ATOM 966 CB PRO A 66 -3.513 -17.541 -5.389 1.00 0.98 C ATOM 967 CG PRO A 66 -4.964 -17.685 -5.090 1.00 0.91 C ATOM 968 CD PRO A 66 -5.489 -16.287 -4.980 1.00 0.75 C ATOM 0 HA PRO A 66 -2.500 -16.409 -3.770 1.00 0.89 H new ATOM 0 HB2 PRO A 66 -3.338 -17.480 -6.463 1.00 0.98 H new ATOM 0 HB3 PRO A 66 -2.950 -18.399 -5.022 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -5.475 -18.235 -5.880 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -5.121 -18.238 -4.164 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -5.761 -15.880 -5.954 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -6.380 -16.238 -4.354 1.00 0.75 H new ATOM 976 N GLU A 67 -2.712 -14.685 -6.542 1.00 0.69 N ATOM 977 CA GLU A 67 -1.935 -13.876 -7.477 1.00 0.63 C ATOM 978 C GLU A 67 -1.647 -12.473 -6.930 1.00 0.62 C ATOM 979 O GLU A 67 -0.497 -12.028 -6.957 1.00 0.66 O ATOM 980 CB GLU A 67 -2.644 -13.794 -8.823 1.00 0.61 C ATOM 981 CG GLU A 67 -2.284 -14.920 -9.786 1.00 0.70 C ATOM 982 CD GLU A 67 -0.941 -14.715 -10.468 1.00 1.12 C ATOM 983 OE1 GLU A 67 0.084 -15.152 -9.905 1.00 1.71 O ATOM 984 OE2 GLU A 67 -0.918 -14.118 -11.565 1.00 1.94 O ATOM 0 H GLU A 67 -3.721 -14.622 -6.677 1.00 0.69 H new ATOM 0 HA GLU A 67 -0.972 -14.369 -7.612 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -3.721 -13.804 -8.655 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -2.403 -12.839 -9.291 1.00 0.61 H new ATOM 0 HG2 GLU A 67 -2.268 -15.864 -9.242 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -3.061 -15.003 -10.545 1.00 0.70 H new ATOM 991 N PHE A 68 -2.709 -11.781 -6.459 1.00 0.63 N ATOM 992 CA PHE A 68 -2.628 -10.425 -5.872 1.00 0.72 C ATOM 993 C PHE A 68 -1.330 -10.142 -5.093 1.00 0.79 C ATOM 994 O PHE A 68 -0.676 -9.122 -5.329 1.00 0.87 O ATOM 995 CB PHE A 68 -3.848 -10.224 -4.955 1.00 0.88 C ATOM 996 CG PHE A 68 -4.182 -8.793 -4.628 1.00 0.91 C ATOM 997 CD1 PHE A 68 -3.562 -8.150 -3.570 1.00 1.54 C ATOM 998 CD2 PHE A 68 -5.128 -8.104 -5.366 1.00 1.84 C ATOM 999 CE1 PHE A 68 -3.879 -6.845 -3.256 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -5.449 -6.798 -5.057 1.00 2.44 C ATOM 1001 CZ PHE A 68 -4.825 -6.167 -4.001 1.00 2.37 C ATOM 0 H PHE A 68 -3.658 -12.154 -6.476 1.00 0.63 H new ATOM 0 HA PHE A 68 -2.623 -9.717 -6.701 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -4.716 -10.683 -5.428 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -3.672 -10.760 -4.023 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -2.822 -8.676 -2.985 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -5.621 -8.594 -6.193 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -3.388 -6.354 -2.429 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -6.188 -6.270 -5.641 1.00 2.44 H new ATOM 0 HZ PHE A 68 -5.075 -5.145 -3.757 1.00 2.37 H new ATOM 1011 N LEU A 69 -0.973 -11.043 -4.180 1.00 0.81 N ATOM 1012 CA LEU A 69 0.220 -10.871 -3.344 1.00 0.89 C ATOM 1013 C LEU A 69 1.511 -11.402 -3.941 1.00 0.84 C ATOM 1014 O LEU A 69 2.581 -11.079 -3.435 1.00 0.89 O ATOM 1015 CB LEU A 69 0.052 -11.518 -1.987 1.00 0.99 C ATOM 1016 CG LEU A 69 -0.863 -12.738 -1.960 1.00 0.97 C ATOM 1017 CD1 LEU A 69 -0.320 -13.863 -2.834 1.00 0.92 C ATOM 1018 CD2 LEU A 69 -1.038 -13.222 -0.542 1.00 1.14 C ATOM 0 H LEU A 69 -1.492 -11.902 -3.998 1.00 0.81 H new ATOM 0 HA LEU A 69 0.310 -9.788 -3.264 1.00 0.89 H new ATOM 0 HB2 LEU A 69 1.035 -11.812 -1.618 1.00 0.99 H new ATOM 0 HB3 LEU A 69 -0.340 -10.774 -1.293 1.00 0.99 H new ATOM 0 HG LEU A 69 -1.831 -12.440 -2.362 1.00 0.97 H new ATOM 0 HD11 LEU A 69 -0.997 -14.716 -2.791 1.00 0.92 H new ATOM 0 HD12 LEU A 69 -0.238 -13.516 -3.864 1.00 0.92 H new ATOM 0 HD13 LEU A 69 0.664 -14.162 -2.473 1.00 0.92 H new ATOM 0 HD21 LEU A 69 -1.693 -14.093 -0.533 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -0.067 -13.494 -0.128 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -1.481 -12.429 0.061 1.00 1.14 H new ATOM 1030 N THR A 70 1.422 -12.250 -4.970 1.00 0.78 N ATOM 1031 CA THR A 70 2.621 -12.842 -5.611 1.00 0.78 C ATOM 1032 C THR A 70 3.679 -11.784 -5.916 1.00 0.80 C ATOM 1033 O THR A 70 4.853 -12.111 -6.089 1.00 0.79 O ATOM 1034 CB THR A 70 2.247 -13.620 -6.902 1.00 0.80 C ATOM 1035 OG1 THR A 70 1.129 -14.474 -6.647 1.00 0.79 O ATOM 1036 CG2 THR A 70 3.410 -14.466 -7.417 1.00 0.88 C ATOM 0 H THR A 70 0.538 -12.547 -5.383 1.00 0.78 H new ATOM 0 HA THR A 70 3.046 -13.547 -4.897 1.00 0.78 H new ATOM 0 HB THR A 70 1.997 -12.883 -7.665 1.00 0.80 H new ATOM 0 HG1 THR A 70 0.968 -14.523 -5.682 1.00 0.79 H new ATOM 0 HG21 THR A 70 3.104 -14.993 -8.321 1.00 0.88 H new ATOM 0 HG22 THR A 70 4.258 -13.820 -7.643 1.00 0.88 H new ATOM 0 HG23 THR A 70 3.699 -15.190 -6.655 1.00 0.88 H new ATOM 1044 N MET A 71 3.239 -10.532 -5.985 1.00 0.87 N ATOM 1045 CA MET A 71 4.128 -9.420 -6.212 1.00 0.96 C ATOM 1046 C MET A 71 4.707 -8.875 -4.907 1.00 0.97 C ATOM 1047 O MET A 71 5.815 -8.335 -4.921 1.00 1.00 O ATOM 1048 CB MET A 71 3.444 -8.338 -7.042 1.00 1.10 C ATOM 1049 CG MET A 71 3.302 -8.731 -8.503 1.00 1.15 C ATOM 1050 SD MET A 71 2.709 -7.394 -9.550 1.00 1.66 S ATOM 1051 CE MET A 71 3.040 -8.091 -11.167 1.00 1.68 C ATOM 0 H MET A 71 2.258 -10.270 -5.884 1.00 0.87 H new ATOM 0 HA MET A 71 4.977 -9.784 -6.790 1.00 0.96 H new ATOM 0 HB2 MET A 71 2.457 -8.134 -6.626 1.00 1.10 H new ATOM 0 HB3 MET A 71 4.017 -7.413 -6.971 1.00 1.10 H new ATOM 0 HG2 MET A 71 4.268 -9.072 -8.875 1.00 1.15 H new ATOM 0 HG3 MET A 71 2.615 -9.574 -8.579 1.00 1.15 H new ATOM 0 HE1 MET A 71 2.394 -7.618 -11.906 1.00 1.68 H new ATOM 0 HE2 MET A 71 4.083 -7.916 -11.432 1.00 1.68 H new ATOM 0 HE3 MET A 71 2.845 -9.163 -11.148 1.00 1.68 H new ATOM 1061 N MET A 72 3.971 -9.001 -3.779 1.00 0.99 N ATOM 1062 CA MET A 72 4.511 -8.573 -2.483 1.00 1.06 C ATOM 1063 C MET A 72 5.295 -9.739 -1.906 1.00 0.94 C ATOM 1064 O MET A 72 6.242 -9.561 -1.134 1.00 0.95 O ATOM 1065 CB MET A 72 3.416 -8.060 -1.526 1.00 1.23 C ATOM 1066 CG MET A 72 2.361 -9.092 -1.121 1.00 1.37 C ATOM 1067 SD MET A 72 2.881 -10.123 0.267 1.00 2.19 S ATOM 1068 CE MET A 72 2.517 -9.049 1.655 1.00 3.08 C ATOM 0 H MET A 72 3.027 -9.386 -3.745 1.00 0.99 H new ATOM 0 HA MET A 72 5.172 -7.718 -2.621 1.00 1.06 H new ATOM 0 HB2 MET A 72 3.895 -7.682 -0.623 1.00 1.23 H new ATOM 0 HB3 MET A 72 2.912 -7.216 -1.997 1.00 1.23 H new ATOM 0 HG2 MET A 72 1.438 -8.576 -0.857 1.00 1.37 H new ATOM 0 HG3 MET A 72 2.137 -9.729 -1.976 1.00 1.37 H new ATOM 0 HE1 MET A 72 3.445 -8.775 2.157 1.00 3.08 H new ATOM 0 HE2 MET A 72 2.019 -8.148 1.297 1.00 3.08 H new ATOM 0 HE3 MET A 72 1.865 -9.570 2.357 1.00 3.08 H new ATOM 1078 N ALA A 73 4.859 -10.941 -2.309 1.00 0.86 N ATOM 1079 CA ALA A 73 5.535 -12.174 -1.974 1.00 0.79 C ATOM 1080 C ALA A 73 6.772 -12.270 -2.857 1.00 0.71 C ATOM 1081 O ALA A 73 7.699 -13.016 -2.554 1.00 0.68 O ATOM 1082 CB ALA A 73 4.624 -13.376 -2.172 1.00 0.80 C ATOM 0 H ALA A 73 4.023 -11.071 -2.878 1.00 0.86 H new ATOM 0 HA ALA A 73 5.819 -12.174 -0.922 1.00 0.79 H new ATOM 0 HB1 ALA A 73 5.162 -14.287 -1.912 1.00 0.80 H new ATOM 0 HB2 ALA A 73 3.747 -13.277 -1.532 1.00 0.80 H new ATOM 0 HB3 ALA A 73 4.309 -13.426 -3.214 1.00 0.80 H new ATOM 1088 N ARG A 74 6.768 -11.485 -3.971 1.00 0.72 N ATOM 1089 CA ARG A 74 7.872 -11.394 -4.867 1.00 0.71 C ATOM 1090 C ARG A 74 8.981 -10.609 -4.191 1.00 0.73 C ATOM 1091 O ARG A 74 10.146 -10.973 -4.291 1.00 0.68 O ATOM 1092 CB ARG A 74 7.390 -10.662 -6.117 1.00 0.83 C ATOM 1093 CG ARG A 74 8.486 -10.192 -7.038 1.00 0.91 C ATOM 1094 CD ARG A 74 8.943 -11.275 -8.008 1.00 1.12 C ATOM 1095 NE ARG A 74 10.011 -10.803 -8.896 1.00 1.47 N ATOM 1096 CZ ARG A 74 10.584 -11.539 -9.860 1.00 1.90 C ATOM 1097 NH1 ARG A 74 10.206 -12.797 -10.083 1.00 2.18 N ATOM 1098 NH2 ARG A 74 11.544 -11.008 -10.606 1.00 2.55 N ATOM 0 H ARG A 74 5.973 -10.906 -4.242 1.00 0.72 H new ATOM 0 HA ARG A 74 8.252 -12.379 -5.137 1.00 0.71 H new ATOM 0 HB2 ARG A 74 6.726 -11.323 -6.674 1.00 0.83 H new ATOM 0 HB3 ARG A 74 6.798 -9.800 -5.810 1.00 0.83 H new ATOM 0 HG2 ARG A 74 8.135 -9.328 -7.603 1.00 0.91 H new ATOM 0 HG3 ARG A 74 9.337 -9.860 -6.444 1.00 0.91 H new ATOM 0 HD2 ARG A 74 9.295 -12.140 -7.446 1.00 1.12 H new ATOM 0 HD3 ARG A 74 8.095 -11.607 -8.606 1.00 1.12 H new ATOM 0 HE ARG A 74 10.342 -9.846 -8.771 1.00 1.47 H new ATOM 0 HH11 ARG A 74 9.469 -13.216 -9.516 1.00 2.18 H new ATOM 0 HH12 ARG A 74 10.654 -13.341 -10.821 1.00 2.18 H new ATOM 0 HH21 ARG A 74 11.842 -10.046 -10.445 1.00 2.55 H new ATOM 0 HH22 ARG A 74 11.984 -11.562 -11.341 1.00 2.55 H new ATOM 1112 N LYS A 75 8.596 -9.501 -3.525 1.00 0.86 N ATOM 1113 CA LYS A 75 9.535 -8.677 -2.783 1.00 0.95 C ATOM 1114 C LYS A 75 10.252 -9.512 -1.710 1.00 0.90 C ATOM 1115 O LYS A 75 11.300 -9.118 -1.191 1.00 0.96 O ATOM 1116 CB LYS A 75 8.792 -7.489 -2.178 1.00 1.19 C ATOM 1117 CG LYS A 75 7.743 -6.929 -3.136 1.00 1.28 C ATOM 1118 CD LYS A 75 8.347 -6.083 -4.247 1.00 1.40 C ATOM 1119 CE LYS A 75 8.538 -4.626 -3.837 1.00 2.25 C ATOM 1120 NZ LYS A 75 9.137 -3.816 -4.933 1.00 2.99 N ATOM 0 H LYS A 75 7.633 -9.166 -3.494 1.00 0.86 H new ATOM 0 HA LYS A 75 10.303 -8.295 -3.456 1.00 0.95 H new ATOM 0 HB2 LYS A 75 8.310 -7.796 -1.250 1.00 1.19 H new ATOM 0 HB3 LYS A 75 9.506 -6.706 -1.922 1.00 1.19 H new ATOM 0 HG2 LYS A 75 7.184 -7.754 -3.578 1.00 1.28 H new ATOM 0 HG3 LYS A 75 7.030 -6.326 -2.574 1.00 1.28 H new ATOM 0 HD2 LYS A 75 9.310 -6.504 -4.537 1.00 1.40 H new ATOM 0 HD3 LYS A 75 7.702 -6.128 -5.125 1.00 1.40 H new ATOM 0 HE2 LYS A 75 7.576 -4.199 -3.554 1.00 2.25 H new ATOM 0 HE3 LYS A 75 9.179 -4.577 -2.957 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 10.032 -3.399 -4.607 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 9.318 -4.425 -5.756 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 8.480 -3.057 -5.203 1.00 2.99 H new ATOM 1134 N MET A 76 9.646 -10.678 -1.397 1.00 0.85 N ATOM 1135 CA MET A 76 10.202 -11.651 -0.468 1.00 0.93 C ATOM 1136 C MET A 76 11.295 -12.448 -1.185 1.00 0.83 C ATOM 1137 O MET A 76 12.307 -12.817 -0.581 1.00 0.93 O ATOM 1138 CB MET A 76 9.121 -12.607 0.054 1.00 1.07 C ATOM 1139 CG MET A 76 8.098 -11.948 0.965 1.00 0.96 C ATOM 1140 SD MET A 76 6.896 -13.121 1.621 1.00 1.64 S ATOM 1141 CE MET A 76 5.886 -12.042 2.632 1.00 2.37 C ATOM 0 H MET A 76 8.749 -10.961 -1.793 1.00 0.85 H new ATOM 0 HA MET A 76 10.618 -11.120 0.388 1.00 0.93 H new ATOM 0 HB2 MET A 76 8.602 -13.051 -0.796 1.00 1.07 H new ATOM 0 HB3 MET A 76 9.602 -13.422 0.595 1.00 1.07 H new ATOM 0 HG2 MET A 76 8.614 -11.461 1.793 1.00 0.96 H new ATOM 0 HG3 MET A 76 7.574 -11.168 0.413 1.00 0.96 H new ATOM 0 HE1 MET A 76 5.095 -12.623 3.106 1.00 2.37 H new ATOM 0 HE2 MET A 76 6.505 -11.578 3.400 1.00 2.37 H new ATOM 0 HE3 MET A 76 5.442 -11.268 2.006 1.00 2.37 H new ATOM 1151 N LYS A 77 11.065 -12.706 -2.494 1.00 0.72 N ATOM 1152 CA LYS A 77 12.035 -13.414 -3.347 1.00 0.79 C ATOM 1153 C LYS A 77 13.099 -12.424 -3.819 1.00 0.78 C ATOM 1154 O LYS A 77 14.302 -12.689 -3.750 1.00 0.91 O ATOM 1155 CB LYS A 77 11.362 -14.064 -4.582 1.00 0.86 C ATOM 1156 CG LYS A 77 9.848 -14.180 -4.504 1.00 0.76 C ATOM 1157 CD LYS A 77 9.365 -15.215 -3.479 1.00 0.89 C ATOM 1158 CE LYS A 77 9.441 -16.647 -4.007 1.00 0.96 C ATOM 1159 NZ LYS A 77 8.917 -17.631 -3.019 1.00 1.75 N ATOM 0 H LYS A 77 10.211 -12.431 -2.979 1.00 0.72 H new ATOM 0 HA LYS A 77 12.481 -14.212 -2.754 1.00 0.79 H new ATOM 0 HB2 LYS A 77 11.621 -13.482 -5.466 1.00 0.86 H new ATOM 0 HB3 LYS A 77 11.781 -15.061 -4.722 1.00 0.86 H new ATOM 0 HG2 LYS A 77 9.430 -13.206 -4.250 1.00 0.76 H new ATOM 0 HG3 LYS A 77 9.461 -14.446 -5.487 1.00 0.76 H new ATOM 0 HD2 LYS A 77 9.968 -15.133 -2.574 1.00 0.89 H new ATOM 0 HD3 LYS A 77 8.336 -14.990 -3.198 1.00 0.89 H new ATOM 0 HE2 LYS A 77 8.871 -16.723 -4.933 1.00 0.96 H new ATOM 0 HE3 LYS A 77 10.476 -16.891 -4.249 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 8.986 -18.590 -3.415 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 9.477 -17.576 -2.144 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 7.922 -17.414 -2.807 1.00 1.75 H new ATOM 1173 N ASP A 78 12.604 -11.280 -4.297 1.00 0.74 N ATOM 1174 CA ASP A 78 13.439 -10.175 -4.778 1.00 0.79 C ATOM 1175 C ASP A 78 13.658 -9.146 -3.656 1.00 0.77 C ATOM 1176 O ASP A 78 12.737 -8.401 -3.297 1.00 0.80 O ATOM 1177 CB ASP A 78 12.762 -9.515 -5.990 1.00 0.84 C ATOM 1178 CG ASP A 78 13.732 -8.739 -6.865 1.00 1.19 C ATOM 1179 OD1 ASP A 78 13.625 -7.496 -6.911 1.00 1.66 O ATOM 1180 OD2 ASP A 78 14.596 -9.377 -7.503 1.00 1.92 O ATOM 0 H ASP A 78 11.604 -11.092 -4.362 1.00 0.74 H new ATOM 0 HA ASP A 78 14.412 -10.562 -5.080 1.00 0.79 H new ATOM 0 HB2 ASP A 78 12.276 -10.284 -6.590 1.00 0.84 H new ATOM 0 HB3 ASP A 78 11.980 -8.842 -5.640 1.00 0.84 H new ATOM 1185 N THR A 79 14.878 -9.124 -3.093 1.00 0.79 N ATOM 1186 CA THR A 79 15.219 -8.204 -2.006 1.00 0.82 C ATOM 1187 C THR A 79 15.708 -6.847 -2.506 1.00 0.73 C ATOM 1188 O THR A 79 16.427 -6.120 -1.809 1.00 0.78 O ATOM 1189 CB THR A 79 16.240 -8.803 -1.015 1.00 0.99 C ATOM 1190 OG1 THR A 79 17.403 -9.258 -1.716 1.00 1.03 O ATOM 1191 CG2 THR A 79 15.633 -9.956 -0.222 1.00 1.15 C ATOM 0 H THR A 79 15.643 -9.736 -3.377 1.00 0.79 H new ATOM 0 HA THR A 79 14.283 -8.045 -1.471 1.00 0.82 H new ATOM 0 HB THR A 79 16.523 -8.018 -0.314 1.00 0.99 H new ATOM 0 HG1 THR A 79 18.044 -9.634 -1.077 1.00 1.03 H new ATOM 0 HG21 THR A 79 16.377 -10.356 0.467 1.00 1.15 H new ATOM 0 HG22 THR A 79 14.773 -9.596 0.342 1.00 1.15 H new ATOM 0 HG23 THR A 79 15.314 -10.741 -0.908 1.00 1.15 H new ATOM 1199 N ASP A 80 15.281 -6.517 -3.714 1.00 0.66 N ATOM 1200 CA ASP A 80 15.596 -5.239 -4.348 1.00 0.67 C ATOM 1201 C ASP A 80 14.593 -4.170 -3.887 1.00 0.66 C ATOM 1202 O ASP A 80 14.574 -3.043 -4.394 1.00 0.74 O ATOM 1203 CB ASP A 80 15.573 -5.377 -5.877 1.00 0.77 C ATOM 1204 CG ASP A 80 16.735 -6.195 -6.408 1.00 1.18 C ATOM 1205 OD1 ASP A 80 17.794 -5.602 -6.700 1.00 1.72 O ATOM 1206 OD2 ASP A 80 16.585 -7.429 -6.531 1.00 1.86 O ATOM 0 H ASP A 80 14.702 -7.129 -4.289 1.00 0.66 H new ATOM 0 HA ASP A 80 16.599 -4.934 -4.051 1.00 0.67 H new ATOM 0 HB2 ASP A 80 14.636 -5.844 -6.182 1.00 0.77 H new ATOM 0 HB3 ASP A 80 15.596 -4.385 -6.328 1.00 0.77 H new ATOM 1211 N SER A 81 13.782 -4.557 -2.889 1.00 0.67 N ATOM 1212 CA SER A 81 12.731 -3.713 -2.313 1.00 0.75 C ATOM 1213 C SER A 81 13.267 -2.524 -1.494 1.00 0.68 C ATOM 1214 O SER A 81 12.507 -1.599 -1.209 1.00 0.76 O ATOM 1215 CB SER A 81 11.833 -4.588 -1.436 1.00 0.92 C ATOM 1216 OG SER A 81 10.792 -3.839 -0.827 1.00 1.07 O ATOM 0 H SER A 81 13.842 -5.479 -2.456 1.00 0.67 H new ATOM 0 HA SER A 81 12.174 -3.276 -3.142 1.00 0.75 H new ATOM 0 HB2 SER A 81 11.400 -5.385 -2.041 1.00 0.92 H new ATOM 0 HB3 SER A 81 12.435 -5.066 -0.664 1.00 0.92 H new ATOM 0 HG SER A 81 10.342 -4.391 -0.154 1.00 1.07 H new ATOM 1222 N GLU A 82 14.559 -2.546 -1.115 1.00 0.62 N ATOM 1223 CA GLU A 82 15.154 -1.446 -0.329 1.00 0.63 C ATOM 1224 C GLU A 82 15.348 -0.191 -1.191 1.00 0.57 C ATOM 1225 O GLU A 82 15.103 0.928 -0.729 1.00 0.58 O ATOM 1226 CB GLU A 82 16.491 -1.871 0.295 1.00 0.72 C ATOM 1227 CG GLU A 82 16.948 -0.966 1.438 1.00 0.78 C ATOM 1228 CD GLU A 82 18.318 -1.341 1.969 1.00 1.34 C ATOM 1229 OE1 GLU A 82 19.323 -0.816 1.444 1.00 1.65 O ATOM 1230 OE2 GLU A 82 18.386 -2.161 2.909 1.00 2.12 O ATOM 0 H GLU A 82 15.205 -3.304 -1.337 1.00 0.62 H new ATOM 0 HA GLU A 82 14.458 -1.207 0.476 1.00 0.63 H new ATOM 0 HB2 GLU A 82 16.401 -2.892 0.665 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.258 -1.879 -0.480 1.00 0.72 H new ATOM 0 HG2 GLU A 82 16.967 0.068 1.092 1.00 0.78 H new ATOM 0 HG3 GLU A 82 16.222 -1.017 2.249 1.00 0.78 H new ATOM 1237 N GLU A 83 15.790 -0.393 -2.440 1.00 0.55 N ATOM 1238 CA GLU A 83 16.003 0.707 -3.389 1.00 0.58 C ATOM 1239 C GLU A 83 14.664 1.292 -3.853 1.00 0.59 C ATOM 1240 O GLU A 83 14.575 2.473 -4.199 1.00 0.65 O ATOM 1241 CB GLU A 83 16.804 0.212 -4.597 1.00 0.64 C ATOM 1242 CG GLU A 83 18.292 0.055 -4.322 1.00 0.71 C ATOM 1243 CD GLU A 83 19.061 -0.426 -5.537 1.00 0.94 C ATOM 1244 OE1 GLU A 83 19.522 0.428 -6.324 1.00 1.76 O ATOM 1245 OE2 GLU A 83 19.203 -1.656 -5.701 1.00 1.27 O ATOM 0 H GLU A 83 16.008 -1.315 -2.818 1.00 0.55 H new ATOM 0 HA GLU A 83 16.566 1.492 -2.883 1.00 0.58 H new ATOM 0 HB2 GLU A 83 16.400 -0.747 -4.921 1.00 0.64 H new ATOM 0 HB3 GLU A 83 16.668 0.910 -5.423 1.00 0.64 H new ATOM 0 HG2 GLU A 83 18.700 1.011 -3.993 1.00 0.71 H new ATOM 0 HG3 GLU A 83 18.434 -0.651 -3.504 1.00 0.71 H new ATOM 1252 N GLU A 84 13.635 0.435 -3.850 1.00 0.60 N ATOM 1253 CA GLU A 84 12.274 0.815 -4.250 1.00 0.68 C ATOM 1254 C GLU A 84 11.479 1.385 -3.070 1.00 0.63 C ATOM 1255 O GLU A 84 10.591 2.207 -3.262 1.00 0.69 O ATOM 1256 CB GLU A 84 11.499 -0.399 -4.809 1.00 0.80 C ATOM 1257 CG GLU A 84 12.328 -1.401 -5.615 1.00 1.14 C ATOM 1258 CD GLU A 84 12.677 -0.903 -7.007 1.00 1.74 C ATOM 1259 OE1 GLU A 84 13.825 -0.455 -7.207 1.00 2.23 O ATOM 1260 OE2 GLU A 84 11.800 -0.960 -7.895 1.00 2.31 O ATOM 0 H GLU A 84 13.723 -0.542 -3.570 1.00 0.60 H new ATOM 0 HA GLU A 84 12.380 1.578 -5.021 1.00 0.68 H new ATOM 0 HB2 GLU A 84 11.036 -0.926 -3.975 1.00 0.80 H new ATOM 0 HB3 GLU A 84 10.691 -0.031 -5.442 1.00 0.80 H new ATOM 0 HG2 GLU A 84 13.248 -1.621 -5.073 1.00 1.14 H new ATOM 0 HG3 GLU A 84 11.775 -2.337 -5.698 1.00 1.14 H new ATOM 1267 N ILE A 85 11.835 0.947 -1.850 1.00 0.57 N ATOM 1268 CA ILE A 85 11.148 1.329 -0.597 1.00 0.54 C ATOM 1269 C ILE A 85 10.990 2.851 -0.383 1.00 0.50 C ATOM 1270 O ILE A 85 10.049 3.282 0.287 1.00 0.50 O ATOM 1271 CB ILE A 85 11.850 0.632 0.618 1.00 0.54 C ATOM 1272 CG1 ILE A 85 10.818 0.121 1.625 1.00 0.52 C ATOM 1273 CG2 ILE A 85 12.882 1.509 1.325 1.00 0.57 C ATOM 1274 CD1 ILE A 85 10.824 -1.387 1.781 1.00 0.57 C ATOM 0 H ILE A 85 12.617 0.310 -1.701 1.00 0.57 H new ATOM 0 HA ILE A 85 10.122 0.972 -0.682 1.00 0.54 H new ATOM 0 HB ILE A 85 12.399 -0.209 0.194 1.00 0.54 H new ATOM 0 HG12 ILE A 85 11.010 0.580 2.595 1.00 0.52 H new ATOM 0 HG13 ILE A 85 9.825 0.442 1.311 1.00 0.52 H new ATOM 0 HG21 ILE A 85 13.323 0.956 2.154 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.664 1.791 0.620 1.00 0.57 H new ATOM 0 HG23 ILE A 85 12.396 2.407 1.706 1.00 0.57 H new ATOM 0 HD11 ILE A 85 10.068 -1.680 2.510 1.00 0.57 H new ATOM 0 HD12 ILE A 85 10.602 -1.853 0.821 1.00 0.57 H new ATOM 0 HD13 ILE A 85 11.806 -1.713 2.125 1.00 0.57 H new ATOM 1286 N ARG A 86 11.902 3.642 -0.950 1.00 0.50 N ATOM 1287 CA ARG A 86 11.847 5.108 -0.829 1.00 0.50 C ATOM 1288 C ARG A 86 10.952 5.723 -1.907 1.00 0.52 C ATOM 1289 O ARG A 86 10.330 6.765 -1.680 1.00 0.53 O ATOM 1290 CB ARG A 86 13.251 5.725 -0.861 1.00 0.54 C ATOM 1291 CG ARG A 86 14.327 4.806 -1.402 1.00 1.10 C ATOM 1292 CD ARG A 86 15.642 5.541 -1.564 1.00 1.26 C ATOM 1293 NE ARG A 86 16.700 4.672 -2.091 1.00 1.79 N ATOM 1294 CZ ARG A 86 17.941 5.078 -2.394 1.00 2.08 C ATOM 1295 NH1 ARG A 86 18.310 6.347 -2.230 1.00 1.78 N ATOM 1296 NH2 ARG A 86 18.819 4.203 -2.865 1.00 2.95 N ATOM 0 H ARG A 86 12.689 3.296 -1.499 1.00 0.50 H new ATOM 0 HA ARG A 86 11.405 5.338 0.141 1.00 0.50 H new ATOM 0 HB2 ARG A 86 13.223 6.629 -1.469 1.00 0.54 H new ATOM 0 HB3 ARG A 86 13.524 6.029 0.150 1.00 0.54 H new ATOM 0 HG2 ARG A 86 14.460 3.960 -0.727 1.00 1.10 H new ATOM 0 HG3 ARG A 86 14.013 4.400 -2.364 1.00 1.10 H new ATOM 0 HD2 ARG A 86 15.502 6.389 -2.235 1.00 1.26 H new ATOM 0 HD3 ARG A 86 15.952 5.945 -0.600 1.00 1.26 H new ATOM 0 HE ARG A 86 16.475 3.688 -2.237 1.00 1.79 H new ATOM 0 HH11 ARG A 86 17.644 7.029 -1.868 1.00 1.78 H new ATOM 0 HH12 ARG A 86 19.259 6.637 -2.466 1.00 1.78 H new ATOM 0 HH21 ARG A 86 18.548 3.228 -2.995 1.00 2.95 H new ATOM 0 HH22 ARG A 86 19.765 4.505 -3.098 1.00 2.95 H new ATOM 1310 N GLU A 87 10.895 5.070 -3.075 1.00 0.57 N ATOM 1311 CA GLU A 87 10.035 5.512 -4.185 1.00 0.63 C ATOM 1312 C GLU A 87 8.649 4.907 -4.012 1.00 0.62 C ATOM 1313 O GLU A 87 7.645 5.472 -4.454 1.00 0.65 O ATOM 1314 CB GLU A 87 10.633 5.104 -5.532 1.00 0.73 C ATOM 1315 CG GLU A 87 11.957 5.787 -5.848 1.00 0.77 C ATOM 1316 CD GLU A 87 12.567 5.306 -7.150 1.00 1.39 C ATOM 1317 OE1 GLU A 87 12.273 5.911 -8.202 1.00 2.08 O ATOM 1318 OE2 GLU A 87 13.338 4.324 -7.117 1.00 2.02 O ATOM 0 H GLU A 87 11.436 4.230 -3.278 1.00 0.57 H new ATOM 0 HA GLU A 87 9.962 6.599 -4.170 1.00 0.63 H new ATOM 0 HB2 GLU A 87 10.780 4.024 -5.542 1.00 0.73 H new ATOM 0 HB3 GLU A 87 9.918 5.335 -6.322 1.00 0.73 H new ATOM 0 HG2 GLU A 87 11.802 6.865 -5.900 1.00 0.77 H new ATOM 0 HG3 GLU A 87 12.658 5.605 -5.034 1.00 0.77 H new ATOM 1325 N ALA A 88 8.629 3.738 -3.357 1.00 0.60 N ATOM 1326 CA ALA A 88 7.403 3.031 -3.003 1.00 0.62 C ATOM 1327 C ALA A 88 6.730 3.786 -1.862 1.00 0.55 C ATOM 1328 O ALA A 88 5.552 3.584 -1.566 1.00 0.56 O ATOM 1329 CB ALA A 88 7.711 1.588 -2.644 1.00 0.70 C ATOM 0 H ALA A 88 9.477 3.256 -3.057 1.00 0.60 H new ATOM 0 HA ALA A 88 6.717 2.997 -3.849 1.00 0.62 H new ATOM 0 HB1 ALA A 88 6.787 1.073 -2.382 1.00 0.70 H new ATOM 0 HB2 ALA A 88 8.174 1.092 -3.497 1.00 0.70 H new ATOM 0 HB3 ALA A 88 8.394 1.562 -1.795 1.00 0.70 H new ATOM 1335 N PHE A 89 7.540 4.644 -1.210 1.00 0.51 N ATOM 1336 CA PHE A 89 7.075 5.528 -0.146 1.00 0.49 C ATOM 1337 C PHE A 89 6.416 6.742 -0.755 1.00 0.47 C ATOM 1338 O PHE A 89 5.394 7.227 -0.259 1.00 0.47 O ATOM 1339 CB PHE A 89 8.207 6.062 0.733 1.00 0.51 C ATOM 1340 CG PHE A 89 8.189 5.526 2.137 1.00 0.53 C ATOM 1341 CD1 PHE A 89 8.241 6.381 3.218 1.00 1.27 C ATOM 1342 CD2 PHE A 89 8.109 4.158 2.375 1.00 1.19 C ATOM 1343 CE1 PHE A 89 8.210 5.890 4.504 1.00 1.29 C ATOM 1344 CE2 PHE A 89 8.080 3.663 3.657 1.00 1.22 C ATOM 1345 CZ PHE A 89 8.130 4.530 4.727 1.00 0.65 C ATOM 0 H PHE A 89 8.535 4.736 -1.414 1.00 0.51 H new ATOM 0 HA PHE A 89 6.396 4.931 0.463 1.00 0.49 H new ATOM 0 HB2 PHE A 89 9.162 5.812 0.271 1.00 0.51 H new ATOM 0 HB3 PHE A 89 8.145 7.150 0.768 1.00 0.51 H new ATOM 0 HD1 PHE A 89 8.307 7.446 3.054 1.00 1.27 H new ATOM 0 HD2 PHE A 89 8.069 3.474 1.540 1.00 1.19 H new ATOM 0 HE1 PHE A 89 8.248 6.571 5.341 1.00 1.29 H new ATOM 0 HE2 PHE A 89 8.018 2.598 3.825 1.00 1.22 H new ATOM 0 HZ PHE A 89 8.107 4.147 5.736 1.00 0.65 H new ATOM 1355 N ARG A 90 7.024 7.230 -1.854 1.00 0.50 N ATOM 1356 CA ARG A 90 6.528 8.396 -2.564 1.00 0.54 C ATOM 1357 C ARG A 90 5.109 8.146 -3.108 1.00 0.54 C ATOM 1358 O ARG A 90 4.415 9.064 -3.546 1.00 0.60 O ATOM 1359 CB ARG A 90 7.477 8.765 -3.707 1.00 0.62 C ATOM 1360 CG ARG A 90 7.570 10.257 -3.982 1.00 1.26 C ATOM 1361 CD ARG A 90 8.024 10.523 -5.406 1.00 1.50 C ATOM 1362 NE ARG A 90 8.104 11.958 -5.703 1.00 2.03 N ATOM 1363 CZ ARG A 90 8.385 12.474 -6.908 1.00 2.50 C ATOM 1364 NH1 ARG A 90 8.618 11.688 -7.958 1.00 2.61 N ATOM 1365 NH2 ARG A 90 8.430 13.791 -7.062 1.00 3.17 N ATOM 0 H ARG A 90 7.865 6.822 -2.262 1.00 0.50 H new ATOM 0 HA ARG A 90 6.482 9.228 -1.862 1.00 0.54 H new ATOM 0 HB2 ARG A 90 8.473 8.387 -3.474 1.00 0.62 H new ATOM 0 HB3 ARG A 90 7.148 8.259 -4.615 1.00 0.62 H new ATOM 0 HG2 ARG A 90 6.599 10.722 -3.814 1.00 1.26 H new ATOM 0 HG3 ARG A 90 8.269 10.716 -3.283 1.00 1.26 H new ATOM 0 HD2 ARG A 90 9.000 10.066 -5.566 1.00 1.50 H new ATOM 0 HD3 ARG A 90 7.332 10.048 -6.101 1.00 1.50 H new ATOM 0 HE ARG A 90 7.933 12.610 -4.937 1.00 2.03 H new ATOM 0 HH11 ARG A 90 8.584 10.674 -7.853 1.00 2.61 H new ATOM 0 HH12 ARG A 90 8.830 12.100 -8.867 1.00 2.61 H new ATOM 0 HH21 ARG A 90 8.251 14.404 -6.266 1.00 3.17 H new ATOM 0 HH22 ARG A 90 8.643 14.191 -7.976 1.00 3.17 H new ATOM 1379 N VAL A 91 4.734 6.864 -3.096 1.00 0.51 N ATOM 1380 CA VAL A 91 3.443 6.358 -3.545 1.00 0.53 C ATOM 1381 C VAL A 91 2.251 7.169 -2.966 1.00 0.54 C ATOM 1382 O VAL A 91 1.289 7.456 -3.685 1.00 0.60 O ATOM 1383 CB VAL A 91 3.385 4.853 -3.148 1.00 0.51 C ATOM 1384 CG1 VAL A 91 2.711 4.615 -1.799 1.00 0.47 C ATOM 1385 CG2 VAL A 91 2.754 4.015 -4.237 1.00 0.59 C ATOM 0 H VAL A 91 5.350 6.124 -2.759 1.00 0.51 H new ATOM 0 HA VAL A 91 3.349 6.470 -4.625 1.00 0.53 H new ATOM 0 HB VAL A 91 4.420 4.530 -3.033 1.00 0.51 H new ATOM 0 HG11 VAL A 91 2.702 3.547 -1.580 1.00 0.47 H new ATOM 0 HG12 VAL A 91 3.262 5.141 -1.019 1.00 0.47 H new ATOM 0 HG13 VAL A 91 1.687 4.987 -1.833 1.00 0.47 H new ATOM 0 HG21 VAL A 91 2.730 2.971 -3.925 1.00 0.59 H new ATOM 0 HG22 VAL A 91 1.737 4.362 -4.420 1.00 0.59 H new ATOM 0 HG23 VAL A 91 3.339 4.107 -5.152 1.00 0.59 H new ATOM 1395 N PHE A 92 2.335 7.523 -1.672 1.00 0.49 N ATOM 1396 CA PHE A 92 1.311 8.319 -1.013 1.00 0.54 C ATOM 1397 C PHE A 92 1.833 9.720 -0.747 1.00 0.60 C ATOM 1398 O PHE A 92 1.080 10.697 -0.787 1.00 0.69 O ATOM 1399 CB PHE A 92 0.820 7.674 0.293 1.00 0.53 C ATOM 1400 CG PHE A 92 -0.282 6.683 0.067 1.00 1.18 C ATOM 1401 CD1 PHE A 92 -1.595 7.108 -0.096 1.00 1.94 C ATOM 1402 CD2 PHE A 92 -0.010 5.333 0.014 1.00 1.92 C ATOM 1403 CE1 PHE A 92 -2.610 6.198 -0.310 1.00 2.69 C ATOM 1404 CE2 PHE A 92 -1.019 4.421 -0.198 1.00 2.68 C ATOM 1405 CZ PHE A 92 -2.321 4.851 -0.362 1.00 2.89 C ATOM 0 H PHE A 92 3.113 7.263 -1.066 1.00 0.49 H new ATOM 0 HA PHE A 92 0.455 8.371 -1.685 1.00 0.54 H new ATOM 0 HB2 PHE A 92 1.656 7.177 0.785 1.00 0.53 H new ATOM 0 HB3 PHE A 92 0.470 8.453 0.970 1.00 0.53 H new ATOM 0 HD1 PHE A 92 -1.824 8.163 -0.055 1.00 1.94 H new ATOM 0 HD2 PHE A 92 1.005 4.987 0.140 1.00 1.92 H new ATOM 0 HE1 PHE A 92 -3.627 6.540 -0.436 1.00 2.69 H new ATOM 0 HE2 PHE A 92 -0.792 3.366 -0.236 1.00 2.68 H new ATOM 0 HZ PHE A 92 -3.111 4.134 -0.531 1.00 2.89 H new ATOM 1415 N ALA A 93 3.140 9.793 -0.474 1.00 0.57 N ATOM 1416 CA ALA A 93 3.813 11.061 -0.194 1.00 0.66 C ATOM 1417 C ALA A 93 4.294 11.791 -1.437 1.00 0.85 C ATOM 1418 O ALA A 93 4.634 11.184 -2.451 1.00 1.63 O ATOM 1419 CB ALA A 93 5.020 10.876 0.714 1.00 0.65 C ATOM 0 H ALA A 93 3.755 8.980 -0.442 1.00 0.57 H new ATOM 0 HA ALA A 93 3.045 11.662 0.294 1.00 0.66 H new ATOM 0 HB1 ALA A 93 5.490 11.843 0.896 1.00 0.65 H new ATOM 0 HB2 ALA A 93 4.699 10.444 1.662 1.00 0.65 H new ATOM 0 HB3 ALA A 93 5.737 10.209 0.235 1.00 0.65 H new ATOM 1425 N LYS A 94 4.319 13.114 -1.315 1.00 1.24 N ATOM 1426 CA LYS A 94 4.841 14.005 -2.345 1.00 1.42 C ATOM 1427 C LYS A 94 6.244 14.394 -1.936 1.00 1.36 C ATOM 1428 O LYS A 94 6.851 15.328 -2.468 1.00 1.78 O ATOM 1429 CB LYS A 94 3.960 15.245 -2.462 1.00 1.75 C ATOM 1430 CG LYS A 94 2.576 14.974 -3.034 1.00 2.06 C ATOM 1431 CD LYS A 94 1.753 16.248 -3.132 1.00 2.52 C ATOM 1432 CE LYS A 94 0.374 15.977 -3.712 1.00 2.90 C ATOM 1433 NZ LYS A 94 -0.435 17.221 -3.829 1.00 3.37 N ATOM 0 H LYS A 94 3.974 13.603 -0.489 1.00 1.24 H new ATOM 0 HA LYS A 94 4.849 13.510 -3.316 1.00 1.42 H new ATOM 0 HB2 LYS A 94 3.851 15.695 -1.475 1.00 1.75 H new ATOM 0 HB3 LYS A 94 4.464 15.977 -3.092 1.00 1.75 H new ATOM 0 HG2 LYS A 94 2.672 14.525 -4.022 1.00 2.06 H new ATOM 0 HG3 LYS A 94 2.056 14.252 -2.404 1.00 2.06 H new ATOM 0 HD2 LYS A 94 1.652 16.694 -2.143 1.00 2.52 H new ATOM 0 HD3 LYS A 94 2.275 16.973 -3.756 1.00 2.52 H new ATOM 0 HE2 LYS A 94 0.478 15.518 -4.695 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -0.151 15.261 -3.080 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -1.368 16.992 -4.228 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -0.556 17.646 -2.888 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 0.053 17.895 -4.453 1.00 3.37 H new ATOM 1447 N ASP A 95 6.730 13.616 -0.953 1.00 1.40 N ATOM 1448 CA ASP A 95 8.023 13.796 -0.279 1.00 1.71 C ATOM 1449 C ASP A 95 8.025 15.160 0.389 1.00 1.53 C ATOM 1450 O ASP A 95 9.014 15.605 0.983 1.00 1.84 O ATOM 1451 CB ASP A 95 9.253 13.562 -1.175 1.00 2.30 C ATOM 1452 CG ASP A 95 9.581 14.701 -2.133 1.00 2.81 C ATOM 1453 OD1 ASP A 95 9.240 14.588 -3.330 1.00 3.23 O ATOM 1454 OD2 ASP A 95 10.177 15.702 -1.684 1.00 3.21 O ATOM 0 H ASP A 95 6.211 12.814 -0.594 1.00 1.40 H new ATOM 0 HA ASP A 95 8.123 13.014 0.474 1.00 1.71 H new ATOM 0 HB2 ASP A 95 10.119 13.383 -0.537 1.00 2.30 H new ATOM 0 HB3 ASP A 95 9.092 12.654 -1.756 1.00 2.30 H new ATOM 1459 N GLY A 96 6.854 15.792 0.269 1.00 1.38 N ATOM 1460 CA GLY A 96 6.615 17.096 0.878 1.00 1.83 C ATOM 1461 C GLY A 96 6.112 16.924 2.298 1.00 1.85 C ATOM 1462 O GLY A 96 5.674 17.876 2.949 1.00 2.43 O ATOM 0 H GLY A 96 6.057 15.418 -0.246 1.00 1.38 H new ATOM 0 HA2 GLY A 96 7.535 17.680 0.878 1.00 1.83 H new ATOM 0 HA3 GLY A 96 5.885 17.652 0.290 1.00 1.83 H new ATOM 1466 N ASN A 97 6.194 15.667 2.751 1.00 1.55 N ATOM 1467 CA ASN A 97 5.762 15.236 4.061 1.00 1.99 C ATOM 1468 C ASN A 97 6.757 15.600 5.185 1.00 1.78 C ATOM 1469 O ASN A 97 6.562 16.606 5.874 1.00 2.66 O ATOM 1470 CB ASN A 97 5.517 13.729 3.974 1.00 2.43 C ATOM 1471 CG ASN A 97 4.171 13.429 3.340 1.00 3.41 C ATOM 1472 OD1 ASN A 97 4.065 13.278 2.125 1.00 4.01 O ATOM 1473 ND2 ASN A 97 3.129 13.368 4.156 1.00 4.00 N ATOM 0 H ASN A 97 6.577 14.907 2.188 1.00 1.55 H new ATOM 0 HA ASN A 97 4.848 15.763 4.336 1.00 1.99 H new ATOM 0 HB2 ASN A 97 6.310 13.262 3.390 1.00 2.43 H new ATOM 0 HB3 ASN A 97 5.557 13.293 4.972 1.00 2.43 H new ATOM 0 HD21 ASN A 97 2.197 13.190 3.781 1.00 4.00 H new ATOM 0 HD22 ASN A 97 3.259 13.499 5.159 1.00 4.00 H new ATOM 1480 N GLY A 98 7.812 14.785 5.364 1.00 1.20 N ATOM 1481 CA GLY A 98 8.801 15.035 6.411 1.00 1.80 C ATOM 1482 C GLY A 98 8.489 14.270 7.685 1.00 1.46 C ATOM 1483 O GLY A 98 9.340 13.547 8.210 1.00 1.68 O ATOM 0 H GLY A 98 7.995 13.956 4.799 1.00 1.20 H new ATOM 0 HA2 GLY A 98 9.790 14.751 6.051 1.00 1.80 H new ATOM 0 HA3 GLY A 98 8.836 16.102 6.629 1.00 1.80 H new ATOM 1487 N TYR A 99 7.256 14.445 8.171 1.00 1.07 N ATOM 1488 CA TYR A 99 6.765 13.778 9.384 1.00 0.84 C ATOM 1489 C TYR A 99 5.294 13.413 9.200 1.00 0.81 C ATOM 1490 O TYR A 99 4.487 14.274 8.834 1.00 0.96 O ATOM 1491 CB TYR A 99 6.954 14.666 10.635 1.00 1.07 C ATOM 1492 CG TYR A 99 6.432 16.087 10.500 1.00 1.57 C ATOM 1493 CD1 TYR A 99 7.245 17.102 10.012 1.00 2.28 C ATOM 1494 CD2 TYR A 99 5.129 16.407 10.862 1.00 2.37 C ATOM 1495 CE1 TYR A 99 6.775 18.396 9.888 1.00 3.13 C ATOM 1496 CE2 TYR A 99 4.651 17.698 10.740 1.00 3.24 C ATOM 1497 CZ TYR A 99 5.478 18.688 10.253 1.00 3.46 C ATOM 1498 OH TYR A 99 5.006 19.975 10.131 1.00 4.47 O ATOM 0 H TYR A 99 6.566 15.056 7.733 1.00 1.07 H new ATOM 0 HA TYR A 99 7.348 12.870 9.542 1.00 0.84 H new ATOM 0 HB2 TYR A 99 6.454 14.190 11.479 1.00 1.07 H new ATOM 0 HB3 TYR A 99 8.016 14.707 10.876 1.00 1.07 H new ATOM 0 HD1 TYR A 99 8.261 16.876 9.725 1.00 2.28 H new ATOM 0 HD2 TYR A 99 4.479 15.634 11.245 1.00 2.37 H new ATOM 0 HE1 TYR A 99 7.420 19.174 9.507 1.00 3.13 H new ATOM 0 HE2 TYR A 99 3.635 17.930 11.025 1.00 3.24 H new ATOM 0 HH TYR A 99 4.073 20.011 10.430 1.00 4.47 H new ATOM 1508 N ILE A 100 4.947 12.146 9.451 1.00 1.17 N ATOM 1509 CA ILE A 100 3.565 11.693 9.268 1.00 1.39 C ATOM 1510 C ILE A 100 3.005 10.903 10.450 1.00 1.13 C ATOM 1511 O ILE A 100 3.428 9.781 10.741 1.00 1.43 O ATOM 1512 CB ILE A 100 3.370 10.877 7.964 1.00 2.12 C ATOM 1513 CG1 ILE A 100 4.603 10.028 7.623 1.00 2.36 C ATOM 1514 CG2 ILE A 100 3.042 11.816 6.820 1.00 2.84 C ATOM 1515 CD1 ILE A 100 4.292 8.564 7.411 1.00 3.08 C ATOM 0 H ILE A 100 5.593 11.427 9.776 1.00 1.17 H new ATOM 0 HA ILE A 100 2.996 12.620 9.196 1.00 1.39 H new ATOM 0 HB ILE A 100 2.541 10.187 8.122 1.00 2.12 H new ATOM 0 HG12 ILE A 100 5.069 10.426 6.722 1.00 2.36 H new ATOM 0 HG13 ILE A 100 5.332 10.123 8.427 1.00 2.36 H new ATOM 0 HG21 ILE A 100 2.905 11.240 5.905 1.00 2.84 H new ATOM 0 HG22 ILE A 100 2.125 12.360 7.047 1.00 2.84 H new ATOM 0 HG23 ILE A 100 3.860 12.524 6.685 1.00 2.84 H new ATOM 0 HD11 ILE A 100 5.211 8.027 7.174 1.00 3.08 H new ATOM 0 HD12 ILE A 100 3.854 8.150 8.319 1.00 3.08 H new ATOM 0 HD13 ILE A 100 3.587 8.458 6.587 1.00 3.08 H new ATOM 1527 N SER A 101 2.037 11.538 11.115 1.00 0.79 N ATOM 1528 CA SER A 101 1.302 10.981 12.247 1.00 0.64 C ATOM 1529 C SER A 101 0.379 9.878 11.837 1.00 0.64 C ATOM 1530 O SER A 101 -0.253 9.922 10.780 1.00 0.70 O ATOM 1531 CB SER A 101 0.507 12.090 12.944 1.00 0.71 C ATOM 1532 OG SER A 101 0.015 11.660 14.203 1.00 1.45 O ATOM 0 H SER A 101 1.736 12.482 10.871 1.00 0.79 H new ATOM 0 HA SER A 101 2.033 10.556 12.934 1.00 0.64 H new ATOM 0 HB2 SER A 101 1.142 12.965 13.079 1.00 0.71 H new ATOM 0 HB3 SER A 101 -0.326 12.396 12.311 1.00 0.71 H new ATOM 0 HG SER A 101 0.743 11.669 14.859 1.00 1.45 H new ATOM 1538 N ALA A 102 0.354 8.866 12.700 1.00 0.72 N ATOM 1539 CA ALA A 102 -0.529 7.704 12.542 1.00 0.83 C ATOM 1540 C ALA A 102 -1.983 8.147 12.354 1.00 0.77 C ATOM 1541 O ALA A 102 -2.817 7.388 11.857 1.00 0.87 O ATOM 1542 CB ALA A 102 -0.421 6.804 13.758 1.00 1.01 C ATOM 0 H ALA A 102 0.944 8.824 13.531 1.00 0.72 H new ATOM 0 HA ALA A 102 -0.217 7.154 11.654 1.00 0.83 H new ATOM 0 HB1 ALA A 102 -1.079 5.944 13.634 1.00 1.01 H new ATOM 0 HB2 ALA A 102 0.608 6.461 13.867 1.00 1.01 H new ATOM 0 HB3 ALA A 102 -0.714 7.359 14.649 1.00 1.01 H new ATOM 1548 N ALA A 103 -2.245 9.412 12.732 1.00 0.68 N ATOM 1549 CA ALA A 103 -3.578 10.020 12.626 1.00 0.71 C ATOM 1550 C ALA A 103 -3.885 10.455 11.188 1.00 0.64 C ATOM 1551 O ALA A 103 -5.048 10.654 10.827 1.00 0.71 O ATOM 1552 CB ALA A 103 -3.689 11.207 13.571 1.00 0.84 C ATOM 0 H ALA A 103 -1.538 10.038 13.118 1.00 0.68 H new ATOM 0 HA ALA A 103 -4.313 9.267 12.909 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -4.681 11.650 13.484 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -3.530 10.872 14.596 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -2.936 11.951 13.311 1.00 0.84 H new ATOM 1558 N GLU A 104 -2.821 10.598 10.379 1.00 0.59 N ATOM 1559 CA GLU A 104 -2.926 10.987 8.971 1.00 0.69 C ATOM 1560 C GLU A 104 -3.523 9.878 8.117 1.00 0.67 C ATOM 1561 O GLU A 104 -3.977 10.129 6.998 1.00 0.74 O ATOM 1562 CB GLU A 104 -1.576 11.399 8.421 1.00 0.85 C ATOM 1563 CG GLU A 104 -1.105 12.745 8.938 1.00 0.99 C ATOM 1564 CD GLU A 104 0.168 13.233 8.271 1.00 1.24 C ATOM 1565 OE1 GLU A 104 1.172 13.425 8.985 1.00 1.81 O ATOM 1566 OE2 GLU A 104 0.158 13.430 7.036 1.00 1.65 O ATOM 0 H GLU A 104 -1.862 10.445 10.690 1.00 0.59 H new ATOM 0 HA GLU A 104 -3.601 11.842 8.927 1.00 0.69 H new ATOM 0 HB2 GLU A 104 -0.838 10.639 8.680 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -1.630 11.434 7.333 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -1.893 13.482 8.783 1.00 0.99 H new ATOM 0 HG3 GLU A 104 -0.940 12.676 10.013 1.00 0.99 H new ATOM 1573 N LEU A 105 -3.505 8.643 8.651 1.00 0.68 N ATOM 1574 CA LEU A 105 -4.073 7.483 7.957 1.00 0.80 C ATOM 1575 C LEU A 105 -5.543 7.679 7.676 1.00 0.68 C ATOM 1576 O LEU A 105 -6.088 7.187 6.685 1.00 0.69 O ATOM 1577 CB LEU A 105 -3.855 6.220 8.765 1.00 1.07 C ATOM 1578 CG LEU A 105 -2.608 5.460 8.370 1.00 1.38 C ATOM 1579 CD1 LEU A 105 -1.731 5.234 9.578 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -2.983 4.157 7.688 1.00 1.81 C ATOM 0 H LEU A 105 -3.102 8.427 9.563 1.00 0.68 H new ATOM 0 HA LEU A 105 -3.558 7.381 7.002 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -3.793 6.480 9.822 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -4.721 5.568 8.647 1.00 1.07 H new ATOM 0 HG LEU A 105 -2.035 6.051 7.655 1.00 1.38 H new ATOM 0 HD11 LEU A 105 -0.837 4.686 9.281 1.00 1.58 H new ATOM 0 HD12 LEU A 105 -1.443 6.195 10.004 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -2.279 4.657 10.323 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -2.077 3.619 7.408 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -3.572 3.545 8.371 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -3.569 4.370 6.794 1.00 1.81 H new ATOM 1592 N ARG A 106 -6.143 8.435 8.565 1.00 0.65 N ATOM 1593 CA ARG A 106 -7.529 8.815 8.498 1.00 0.68 C ATOM 1594 C ARG A 106 -7.744 9.792 7.330 1.00 0.66 C ATOM 1595 O ARG A 106 -8.840 9.855 6.765 1.00 0.74 O ATOM 1596 CB ARG A 106 -7.853 9.450 9.845 1.00 0.79 C ATOM 1597 CG ARG A 106 -9.144 10.266 9.916 1.00 0.97 C ATOM 1598 CD ARG A 106 -9.373 10.825 11.311 1.00 1.46 C ATOM 1599 NE ARG A 106 -10.618 11.597 11.396 1.00 1.70 N ATOM 1600 CZ ARG A 106 -11.172 12.030 12.538 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -10.606 11.778 13.717 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -12.303 12.721 12.496 1.00 2.39 N ATOM 0 H ARG A 106 -5.661 8.813 9.381 1.00 0.65 H new ATOM 0 HA ARG A 106 -8.187 7.966 8.314 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -7.907 8.658 10.592 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -7.023 10.098 10.126 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -9.098 11.085 9.198 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -9.989 9.639 9.631 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -9.405 10.006 12.029 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -8.532 11.461 11.589 1.00 1.46 H new ATOM 0 HE ARG A 106 -11.097 11.820 10.523 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -9.736 11.247 13.762 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -11.042 12.116 14.575 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -12.746 12.920 11.599 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -12.730 13.053 13.361 1.00 2.39 H new ATOM 1616 N HIS A 107 -6.682 10.551 6.978 1.00 0.67 N ATOM 1617 CA HIS A 107 -6.765 11.513 5.882 1.00 0.82 C ATOM 1618 C HIS A 107 -6.507 10.888 4.507 1.00 0.87 C ATOM 1619 O HIS A 107 -7.268 11.163 3.578 1.00 1.00 O ATOM 1620 CB HIS A 107 -5.803 12.680 6.130 1.00 0.94 C ATOM 1621 CG HIS A 107 -6.315 13.999 5.636 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -5.929 14.555 4.435 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -7.188 14.874 6.190 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -6.541 15.715 4.271 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -7.310 15.930 5.322 1.00 1.46 N ATOM 0 H HIS A 107 -5.772 10.510 7.437 1.00 0.67 H new ATOM 0 HA HIS A 107 -7.791 11.880 5.864 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -5.605 12.755 7.199 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -4.852 12.465 5.644 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -7.694 14.762 7.138 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -6.431 16.374 3.422 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -7.900 16.749 5.466 1.00 1.46 H new ATOM 1634 N VAL A 108 -5.455 10.057 4.355 1.00 0.90 N ATOM 1635 CA VAL A 108 -5.175 9.437 3.046 1.00 1.11 C ATOM 1636 C VAL A 108 -6.228 8.395 2.656 1.00 0.96 C ATOM 1637 O VAL A 108 -6.410 8.125 1.465 1.00 0.99 O ATOM 1638 CB VAL A 108 -3.751 8.827 2.866 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -2.840 9.826 2.171 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -3.107 8.358 4.161 1.00 0.86 C ATOM 0 H VAL A 108 -4.804 9.806 5.099 1.00 0.90 H new ATOM 0 HA VAL A 108 -5.222 10.290 2.369 1.00 1.11 H new ATOM 0 HB VAL A 108 -3.883 7.936 2.252 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -1.848 9.391 2.050 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -3.250 10.072 1.192 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -2.768 10.732 2.772 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -2.120 7.947 3.949 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -3.010 9.201 4.845 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -3.729 7.589 4.619 1.00 0.86 H new ATOM 1650 N MET A 109 -6.920 7.810 3.654 1.00 0.88 N ATOM 1651 CA MET A 109 -7.983 6.840 3.379 1.00 0.80 C ATOM 1652 C MET A 109 -9.265 7.524 2.959 1.00 0.72 C ATOM 1653 O MET A 109 -9.915 7.080 2.017 1.00 0.73 O ATOM 1654 CB MET A 109 -8.218 5.897 4.573 1.00 0.80 C ATOM 1655 CG MET A 109 -7.266 4.746 4.580 1.00 1.72 C ATOM 1656 SD MET A 109 -7.604 3.566 5.904 1.00 2.24 S ATOM 1657 CE MET A 109 -6.742 4.322 7.273 1.00 3.24 C ATOM 0 H MET A 109 -6.760 7.993 4.645 1.00 0.88 H new ATOM 0 HA MET A 109 -7.648 6.227 2.542 1.00 0.80 H new ATOM 0 HB2 MET A 109 -8.114 6.457 5.502 1.00 0.80 H new ATOM 0 HB3 MET A 109 -9.240 5.520 4.540 1.00 0.80 H new ATOM 0 HG2 MET A 109 -7.317 4.232 3.620 1.00 1.72 H new ATOM 0 HG3 MET A 109 -6.249 5.123 4.686 1.00 1.72 H new ATOM 0 HE1 MET A 109 -6.553 3.573 8.042 1.00 3.24 H new ATOM 0 HE2 MET A 109 -5.794 4.732 6.924 1.00 3.24 H new ATOM 0 HE3 MET A 109 -7.352 5.123 7.690 1.00 3.24 H new ATOM 1667 N THR A 110 -9.593 8.635 3.608 1.00 0.72 N ATOM 1668 CA THR A 110 -10.802 9.379 3.259 1.00 0.77 C ATOM 1669 C THR A 110 -10.508 10.266 2.045 1.00 0.89 C ATOM 1670 O THR A 110 -11.434 10.738 1.378 1.00 0.97 O ATOM 1671 CB THR A 110 -11.332 10.217 4.449 1.00 0.83 C ATOM 1672 OG1 THR A 110 -11.257 9.449 5.657 1.00 0.78 O ATOM 1673 CG2 THR A 110 -12.779 10.658 4.233 1.00 0.97 C ATOM 0 H THR A 110 -9.048 9.039 4.370 1.00 0.72 H new ATOM 0 HA THR A 110 -11.590 8.668 3.009 1.00 0.77 H new ATOM 0 HB THR A 110 -10.708 11.107 4.525 1.00 0.83 H new ATOM 0 HG1 THR A 110 -10.325 9.400 5.956 1.00 0.78 H new ATOM 0 HG21 THR A 110 -13.113 11.243 5.090 1.00 0.97 H new ATOM 0 HG22 THR A 110 -12.843 11.267 3.331 1.00 0.97 H new ATOM 0 HG23 THR A 110 -13.415 9.779 4.124 1.00 0.97 H new ATOM 1681 N ASN A 111 -9.201 10.496 1.776 1.00 0.96 N ATOM 1682 CA ASN A 111 -8.768 11.239 0.586 1.00 1.14 C ATOM 1683 C ASN A 111 -9.250 10.449 -0.633 1.00 1.13 C ATOM 1684 O ASN A 111 -9.587 11.019 -1.675 1.00 1.24 O ATOM 1685 CB ASN A 111 -7.242 11.403 0.564 1.00 1.26 C ATOM 1686 CG ASN A 111 -6.781 12.524 -0.353 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -6.649 13.672 0.068 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -6.535 12.191 -1.615 1.00 1.85 N ATOM 0 H ASN A 111 -8.436 10.176 2.370 1.00 0.96 H new ATOM 0 HA ASN A 111 -9.190 12.244 0.586 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -6.888 11.599 1.576 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -6.786 10.467 0.243 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -6.223 12.900 -2.278 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -6.658 11.226 -1.921 1.00 1.85 H new ATOM 1695 N LEU A 112 -9.266 9.112 -0.459 1.00 1.02 N ATOM 1696 CA LEU A 112 -9.794 8.193 -1.458 1.00 1.04 C ATOM 1697 C LEU A 112 -11.258 7.900 -1.100 1.00 0.95 C ATOM 1698 O LEU A 112 -12.021 7.375 -1.916 1.00 1.02 O ATOM 1699 CB LEU A 112 -8.980 6.892 -1.490 1.00 1.07 C ATOM 1700 CG LEU A 112 -7.541 7.021 -2.011 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -6.651 5.964 -1.376 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -7.501 6.900 -3.530 1.00 1.54 C ATOM 0 H LEU A 112 -8.912 8.651 0.379 1.00 1.02 H new ATOM 0 HA LEU A 112 -9.727 8.642 -2.449 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -8.946 6.481 -0.481 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -9.509 6.169 -2.111 1.00 1.07 H new ATOM 0 HG LEU A 112 -7.167 8.007 -1.736 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -5.635 6.069 -1.755 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -6.649 6.092 -0.294 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -7.030 4.973 -1.623 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -6.472 6.995 -3.876 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -7.896 5.929 -3.828 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -8.107 7.690 -3.974 1.00 1.54 H new ATOM 1714 N GLY A 113 -11.618 8.261 0.153 1.00 0.83 N ATOM 1715 CA GLY A 113 -12.971 8.085 0.672 1.00 0.82 C ATOM 1716 C GLY A 113 -13.246 6.690 1.187 1.00 0.76 C ATOM 1717 O GLY A 113 -14.378 6.202 1.133 1.00 0.82 O ATOM 0 H GLY A 113 -10.972 8.680 0.822 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -13.138 8.800 1.478 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -13.687 8.320 -0.116 1.00 0.82 H new ATOM 1721 N GLU A 114 -12.189 6.068 1.684 1.00 0.70 N ATOM 1722 CA GLU A 114 -12.216 4.718 2.229 1.00 0.70 C ATOM 1723 C GLU A 114 -13.112 4.627 3.453 1.00 0.73 C ATOM 1724 O GLU A 114 -13.234 5.585 4.223 1.00 0.73 O ATOM 1725 CB GLU A 114 -10.803 4.310 2.602 1.00 0.70 C ATOM 1726 CG GLU A 114 -10.065 3.568 1.495 1.00 0.79 C ATOM 1727 CD GLU A 114 -10.341 2.075 1.502 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -11.308 1.647 0.837 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -9.589 1.336 2.172 1.00 2.12 O ATOM 0 H GLU A 114 -11.265 6.498 1.721 1.00 0.70 H new ATOM 0 HA GLU A 114 -12.620 4.047 1.470 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -10.236 5.202 2.870 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -10.840 3.677 3.489 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -10.356 3.982 0.530 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -8.993 3.735 1.604 1.00 0.79 H new ATOM 1736 N LYS A 115 -13.726 3.466 3.610 1.00 0.82 N ATOM 1737 CA LYS A 115 -14.640 3.211 4.675 1.00 0.92 C ATOM 1738 C LYS A 115 -14.082 2.218 5.677 1.00 1.06 C ATOM 1739 O LYS A 115 -13.831 1.049 5.361 1.00 1.21 O ATOM 1740 CB LYS A 115 -15.938 2.710 4.092 1.00 1.04 C ATOM 1741 CG LYS A 115 -16.595 3.702 3.132 1.00 1.05 C ATOM 1742 CD LYS A 115 -17.389 2.999 2.033 1.00 1.31 C ATOM 1743 CE LYS A 115 -16.562 2.814 0.763 1.00 1.23 C ATOM 1744 NZ LYS A 115 -16.424 4.085 -0.004 1.00 1.56 N ATOM 0 H LYS A 115 -13.591 2.672 2.984 1.00 0.82 H new ATOM 0 HA LYS A 115 -14.810 4.140 5.219 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -15.754 1.774 3.565 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -16.631 2.488 4.904 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -17.258 4.362 3.691 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -15.828 4.330 2.679 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -17.724 2.026 2.393 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -18.283 3.579 1.803 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -15.572 2.440 1.026 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -17.031 2.059 0.132 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -16.101 3.874 -0.970 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -17.344 4.568 -0.044 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -15.730 4.701 0.466 1.00 1.56 H new ATOM 1758 N LEU A 116 -13.881 2.721 6.882 1.00 1.10 N ATOM 1759 CA LEU A 116 -13.349 1.940 7.992 1.00 1.28 C ATOM 1760 C LEU A 116 -14.176 2.179 9.254 1.00 1.19 C ATOM 1761 O LEU A 116 -14.931 3.154 9.328 1.00 1.19 O ATOM 1762 CB LEU A 116 -11.874 2.308 8.225 1.00 1.54 C ATOM 1763 CG LEU A 116 -10.844 1.429 7.496 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -10.693 1.852 6.038 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -9.500 1.491 8.203 1.00 3.12 C ATOM 0 H LEU A 116 -14.083 3.691 7.123 1.00 1.10 H new ATOM 0 HA LEU A 116 -13.409 0.880 7.746 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -11.724 3.343 7.917 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -11.672 2.261 9.295 1.00 1.54 H new ATOM 0 HG LEU A 116 -11.206 0.401 7.515 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -9.958 1.213 5.548 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -11.653 1.757 5.530 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -10.360 2.889 5.993 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -8.782 0.864 7.675 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -9.142 2.521 8.215 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -9.611 1.133 9.227 1.00 3.12 H new ATOM 1777 N THR A 117 -14.031 1.290 10.248 1.00 1.15 N ATOM 1778 CA THR A 117 -14.756 1.426 11.516 1.00 1.08 C ATOM 1779 C THR A 117 -14.004 2.386 12.446 1.00 0.99 C ATOM 1780 O THR A 117 -12.800 2.604 12.277 1.00 0.98 O ATOM 1781 CB THR A 117 -14.963 0.062 12.224 1.00 1.04 C ATOM 1782 OG1 THR A 117 -14.977 -1.002 11.262 1.00 1.34 O ATOM 1783 CG2 THR A 117 -16.275 0.044 13.002 1.00 1.40 C ATOM 0 H THR A 117 -13.421 0.474 10.197 1.00 1.15 H new ATOM 0 HA THR A 117 -15.743 1.828 11.286 1.00 1.08 H new ATOM 0 HB THR A 117 -14.135 -0.080 12.918 1.00 1.04 H new ATOM 0 HG1 THR A 117 -15.264 -1.832 11.697 1.00 1.34 H new ATOM 0 HG21 THR A 117 -16.396 -0.924 13.489 1.00 1.40 H new ATOM 0 HG22 THR A 117 -16.262 0.831 13.756 1.00 1.40 H new ATOM 0 HG23 THR A 117 -17.106 0.212 12.317 1.00 1.40 H new ATOM 1791 N ASP A 118 -14.721 2.949 13.427 1.00 1.00 N ATOM 1792 CA ASP A 118 -14.138 3.910 14.380 1.00 1.00 C ATOM 1793 C ASP A 118 -12.990 3.305 15.197 1.00 0.90 C ATOM 1794 O ASP A 118 -11.964 3.960 15.400 1.00 0.96 O ATOM 1795 CB ASP A 118 -15.221 4.449 15.322 1.00 1.07 C ATOM 1796 CG ASP A 118 -16.202 5.369 14.620 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -15.946 6.591 14.582 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -17.225 4.868 14.108 1.00 2.05 O ATOM 0 H ASP A 118 -15.710 2.756 13.584 1.00 1.00 H new ATOM 0 HA ASP A 118 -13.722 4.728 13.791 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -15.764 3.612 15.761 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -14.748 4.988 16.143 1.00 1.07 H new ATOM 1803 N GLU A 119 -13.172 2.061 15.659 1.00 0.82 N ATOM 1804 CA GLU A 119 -12.159 1.373 16.452 1.00 0.81 C ATOM 1805 C GLU A 119 -11.174 0.584 15.596 1.00 0.77 C ATOM 1806 O GLU A 119 -10.057 0.308 16.045 1.00 0.78 O ATOM 1807 CB GLU A 119 -12.809 0.456 17.493 1.00 0.89 C ATOM 1808 CG GLU A 119 -13.444 1.201 18.659 1.00 1.11 C ATOM 1809 CD GLU A 119 -14.070 0.266 19.676 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -13.361 -0.147 20.617 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -15.269 -0.051 19.531 1.00 2.07 O ATOM 0 H GLU A 119 -14.016 1.513 15.493 1.00 0.82 H new ATOM 0 HA GLU A 119 -11.590 2.149 16.964 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -13.571 -0.150 17.004 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -12.055 -0.230 17.880 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -12.687 1.812 19.150 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -14.206 1.882 18.279 1.00 1.11 H new ATOM 1818 N GLU A 120 -11.578 0.215 14.369 1.00 0.77 N ATOM 1819 CA GLU A 120 -10.715 -0.514 13.458 1.00 0.80 C ATOM 1820 C GLU A 120 -9.494 0.328 13.101 1.00 0.80 C ATOM 1821 O GLU A 120 -8.366 -0.171 13.121 1.00 0.81 O ATOM 1822 CB GLU A 120 -11.496 -0.905 12.204 1.00 0.97 C ATOM 1823 CG GLU A 120 -12.323 -2.176 12.357 1.00 1.21 C ATOM 1824 CD GLU A 120 -11.497 -3.443 12.209 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -10.977 -3.935 13.233 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -11.371 -3.941 11.071 1.00 1.93 O ATOM 0 H GLU A 120 -12.505 0.417 13.994 1.00 0.77 H new ATOM 0 HA GLU A 120 -10.367 -1.425 13.945 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -12.159 -0.084 11.931 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -10.796 -1.037 11.379 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -12.804 -2.175 13.335 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -13.118 -2.178 11.611 1.00 1.21 H new ATOM 1833 N VAL A 121 -9.732 1.612 12.778 1.00 0.84 N ATOM 1834 CA VAL A 121 -8.674 2.527 12.478 1.00 0.92 C ATOM 1835 C VAL A 121 -8.093 3.163 13.741 1.00 0.88 C ATOM 1836 O VAL A 121 -6.990 3.697 13.692 1.00 0.93 O ATOM 1837 CB VAL A 121 -9.087 3.571 11.423 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -9.440 4.899 12.031 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -7.958 3.735 10.449 1.00 2.24 C ATOM 0 H VAL A 121 -10.666 2.019 12.724 1.00 0.84 H new ATOM 0 HA VAL A 121 -7.870 1.945 12.028 1.00 0.92 H new ATOM 0 HB VAL A 121 -9.985 3.211 10.920 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -9.723 5.596 11.243 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -10.274 4.773 12.721 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -8.579 5.292 12.571 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -8.233 4.471 9.694 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -7.067 4.073 10.978 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -7.752 2.780 9.966 1.00 2.24 H new ATOM 1849 N ASP A 122 -8.835 3.114 14.864 1.00 0.86 N ATOM 1850 CA ASP A 122 -8.335 3.671 16.126 1.00 0.95 C ATOM 1851 C ASP A 122 -7.217 2.786 16.672 1.00 0.84 C ATOM 1852 O ASP A 122 -6.377 3.231 17.458 1.00 0.89 O ATOM 1853 CB ASP A 122 -9.463 3.821 17.152 1.00 1.08 C ATOM 1854 CG ASP A 122 -9.193 4.921 18.164 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -9.576 6.080 17.897 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -8.599 4.623 19.221 1.00 1.76 O ATOM 0 H ASP A 122 -9.766 2.701 14.920 1.00 0.86 H new ATOM 0 HA ASP A 122 -7.936 4.667 15.933 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -10.397 4.034 16.631 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -9.599 2.875 17.677 1.00 1.08 H new ATOM 1861 N GLU A 123 -7.245 1.524 16.246 1.00 0.75 N ATOM 1862 CA GLU A 123 -6.234 0.548 16.601 1.00 0.73 C ATOM 1863 C GLU A 123 -5.081 0.618 15.613 1.00 0.65 C ATOM 1864 O GLU A 123 -3.920 0.508 16.004 1.00 0.65 O ATOM 1865 CB GLU A 123 -6.822 -0.865 16.652 1.00 0.78 C ATOM 1866 CG GLU A 123 -7.578 -1.165 17.936 1.00 0.92 C ATOM 1867 CD GLU A 123 -8.148 -2.570 17.962 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -7.443 -3.488 18.432 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -9.299 -2.753 17.513 1.00 1.87 O ATOM 0 H GLU A 123 -7.978 1.154 15.641 1.00 0.75 H new ATOM 0 HA GLU A 123 -5.860 0.783 17.598 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -7.494 -1.000 15.805 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -6.015 -1.589 16.538 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -6.909 -1.032 18.787 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -8.389 -0.446 18.053 1.00 0.92 H new ATOM 1876 N MET A 124 -5.418 0.813 14.325 1.00 0.63 N ATOM 1877 CA MET A 124 -4.410 0.960 13.267 1.00 0.64 C ATOM 1878 C MET A 124 -3.706 2.297 13.436 1.00 0.64 C ATOM 1879 O MET A 124 -2.582 2.493 12.970 1.00 0.67 O ATOM 1880 CB MET A 124 -5.034 0.873 11.865 1.00 0.70 C ATOM 1881 CG MET A 124 -5.747 -0.440 11.570 1.00 1.18 C ATOM 1882 SD MET A 124 -4.616 -1.841 11.473 1.00 2.12 S ATOM 1883 CE MET A 124 -5.760 -3.177 11.135 1.00 2.40 C ATOM 0 H MET A 124 -6.381 0.872 13.995 1.00 0.63 H new ATOM 0 HA MET A 124 -3.697 0.141 13.358 1.00 0.64 H new ATOM 0 HB2 MET A 124 -5.744 1.692 11.746 1.00 0.70 H new ATOM 0 HB3 MET A 124 -4.250 1.020 11.123 1.00 0.70 H new ATOM 0 HG2 MET A 124 -6.487 -0.629 12.348 1.00 1.18 H new ATOM 0 HG3 MET A 124 -6.289 -0.350 10.629 1.00 1.18 H new ATOM 0 HE1 MET A 124 -5.210 -4.114 11.047 1.00 2.40 H new ATOM 0 HE2 MET A 124 -6.480 -3.254 11.949 1.00 2.40 H new ATOM 0 HE3 MET A 124 -6.287 -2.977 10.202 1.00 2.40 H new ATOM 1893 N ILE A 125 -4.403 3.208 14.124 1.00 0.65 N ATOM 1894 CA ILE A 125 -3.890 4.525 14.435 1.00 0.70 C ATOM 1895 C ILE A 125 -3.004 4.424 15.680 1.00 0.66 C ATOM 1896 O ILE A 125 -1.992 5.122 15.795 1.00 0.68 O ATOM 1897 CB ILE A 125 -5.064 5.516 14.676 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -4.819 6.857 13.960 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -5.298 5.737 16.175 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -6.087 7.616 13.596 1.00 0.70 C ATOM 0 H ILE A 125 -5.345 3.040 14.478 1.00 0.65 H new ATOM 0 HA ILE A 125 -3.301 4.901 13.599 1.00 0.70 H new ATOM 0 HB ILE A 125 -5.964 5.069 14.253 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -4.203 7.489 14.599 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -4.248 6.670 13.050 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -6.124 6.434 16.315 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -5.541 4.786 16.649 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -4.396 6.148 16.627 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -5.822 8.548 13.096 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -6.697 7.007 12.929 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -6.651 7.838 14.502 1.00 0.70 H new ATOM 1912 N ARG A 126 -3.416 3.532 16.612 1.00 0.65 N ATOM 1913 CA ARG A 126 -2.683 3.328 17.852 1.00 0.68 C ATOM 1914 C ARG A 126 -1.534 2.366 17.697 1.00 0.64 C ATOM 1915 O ARG A 126 -0.678 2.232 18.577 1.00 0.69 O ATOM 1916 CB ARG A 126 -3.603 2.932 19.011 1.00 0.76 C ATOM 1917 CG ARG A 126 -4.385 4.100 19.597 1.00 1.02 C ATOM 1918 CD ARG A 126 -5.232 3.673 20.788 1.00 1.07 C ATOM 1919 NE ARG A 126 -4.422 3.422 21.987 1.00 1.63 N ATOM 1920 CZ ARG A 126 -4.913 3.042 23.176 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -6.221 2.860 23.355 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -4.086 2.844 24.193 1.00 2.58 N ATOM 0 H ARG A 126 -4.250 2.952 16.515 1.00 0.65 H new ATOM 0 HA ARG A 126 -2.247 4.294 18.106 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -4.305 2.174 18.664 1.00 0.76 H new ATOM 0 HB3 ARG A 126 -3.004 2.475 19.799 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -3.692 4.883 19.906 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -5.028 4.529 18.829 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -5.967 4.448 21.005 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -5.787 2.770 20.532 1.00 1.07 H new ATOM 0 HE ARG A 126 -3.412 3.546 21.910 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -6.867 3.010 22.580 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -6.576 2.571 24.267 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -3.083 2.981 24.069 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -4.453 2.555 25.100 1.00 2.58 H new ATOM 1936 N GLU A 127 -1.540 1.712 16.562 1.00 0.59 N ATOM 1937 CA GLU A 127 -0.490 0.769 16.180 1.00 0.59 C ATOM 1938 C GLU A 127 0.778 1.542 15.801 1.00 0.59 C ATOM 1939 O GLU A 127 1.821 0.949 15.504 1.00 0.63 O ATOM 1940 CB GLU A 127 -0.950 -0.100 15.009 1.00 0.61 C ATOM 1941 CG GLU A 127 -1.682 -1.365 15.437 1.00 0.66 C ATOM 1942 CD GLU A 127 -1.940 -2.310 14.280 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -0.971 -2.926 13.788 1.00 1.91 O ATOM 1944 OE2 GLU A 127 -3.112 -2.439 13.870 1.00 2.06 O ATOM 0 H GLU A 127 -2.276 1.812 15.863 1.00 0.59 H new ATOM 0 HA GLU A 127 -0.274 0.116 17.025 1.00 0.59 H new ATOM 0 HB2 GLU A 127 -1.605 0.489 14.366 1.00 0.61 H new ATOM 0 HB3 GLU A 127 -0.082 -0.378 14.411 1.00 0.61 H new ATOM 0 HG2 GLU A 127 -1.095 -1.880 16.198 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -2.632 -1.092 15.897 1.00 0.66 H new ATOM 1951 N ALA A 128 0.662 2.887 15.831 1.00 0.59 N ATOM 1952 CA ALA A 128 1.767 3.784 15.472 1.00 0.64 C ATOM 1953 C ALA A 128 1.763 5.080 16.304 1.00 0.63 C ATOM 1954 O ALA A 128 2.494 6.028 15.987 1.00 0.65 O ATOM 1955 CB ALA A 128 1.695 4.109 13.984 1.00 0.72 C ATOM 0 H ALA A 128 -0.193 3.372 16.103 1.00 0.59 H new ATOM 0 HA ALA A 128 2.701 3.268 15.694 1.00 0.64 H new ATOM 0 HB1 ALA A 128 2.515 4.775 13.717 1.00 0.72 H new ATOM 0 HB2 ALA A 128 1.773 3.188 13.406 1.00 0.72 H new ATOM 0 HB3 ALA A 128 0.745 4.597 13.764 1.00 0.72 H new ATOM 1961 N ALA A 129 0.957 5.115 17.382 1.00 0.67 N ATOM 1962 CA ALA A 129 0.864 6.298 18.253 1.00 0.72 C ATOM 1963 C ALA A 129 2.080 6.410 19.179 1.00 0.77 C ATOM 1964 O ALA A 129 2.264 5.590 20.086 1.00 0.86 O ATOM 1965 CB ALA A 129 -0.427 6.263 19.064 1.00 0.83 C ATOM 0 H ALA A 129 0.362 4.338 17.669 1.00 0.67 H new ATOM 0 HA ALA A 129 0.852 7.182 17.615 1.00 0.72 H new ATOM 0 HB1 ALA A 129 -0.480 7.145 19.702 1.00 0.83 H new ATOM 0 HB2 ALA A 129 -1.282 6.253 18.387 1.00 0.83 H new ATOM 0 HB3 ALA A 129 -0.444 5.366 19.683 1.00 0.83 H new ATOM 1971 N ILE A 130 2.912 7.428 18.925 1.00 0.77 N ATOM 1972 CA ILE A 130 4.110 7.676 19.698 1.00 0.87 C ATOM 1973 C ILE A 130 3.866 8.738 20.774 1.00 1.01 C ATOM 1974 O ILE A 130 3.515 9.879 20.459 1.00 1.27 O ATOM 1975 CB ILE A 130 5.286 8.094 18.775 1.00 0.91 C ATOM 1976 CG1 ILE A 130 4.961 9.334 17.910 1.00 1.07 C ATOM 1977 CG2 ILE A 130 5.685 6.930 17.876 1.00 1.28 C ATOM 1978 CD1 ILE A 130 6.122 10.297 17.756 1.00 1.57 C ATOM 0 H ILE A 130 2.762 8.099 18.172 1.00 0.77 H new ATOM 0 HA ILE A 130 4.380 6.746 20.199 1.00 0.87 H new ATOM 0 HB ILE A 130 6.116 8.366 19.427 1.00 0.91 H new ATOM 0 HG12 ILE A 130 4.643 9.002 16.922 1.00 1.07 H new ATOM 0 HG13 ILE A 130 4.119 9.864 18.354 1.00 1.07 H new ATOM 0 HG21 ILE A 130 6.511 7.234 17.232 1.00 1.28 H new ATOM 0 HG22 ILE A 130 5.996 6.085 18.491 1.00 1.28 H new ATOM 0 HG23 ILE A 130 4.834 6.637 17.261 1.00 1.28 H new ATOM 0 HD11 ILE A 130 5.816 11.140 17.137 1.00 1.57 H new ATOM 0 HD12 ILE A 130 6.427 10.660 18.738 1.00 1.57 H new ATOM 0 HD13 ILE A 130 6.960 9.784 17.283 1.00 1.57 H new ATOM 1990 N ASP A 131 4.085 8.350 22.048 1.00 1.22 N ATOM 1991 CA ASP A 131 3.883 9.216 23.239 1.00 1.45 C ATOM 1992 C ASP A 131 2.427 9.687 23.415 1.00 1.44 C ATOM 1993 O ASP A 131 1.933 9.799 24.541 1.00 1.64 O ATOM 1994 CB ASP A 131 4.841 10.409 23.188 1.00 1.64 C ATOM 1995 CG ASP A 131 5.188 10.956 24.563 1.00 2.27 C ATOM 1996 OD1 ASP A 131 4.468 11.857 25.043 1.00 2.70 O ATOM 1997 OD2 ASP A 131 6.178 10.481 25.158 1.00 2.90 O ATOM 0 H ASP A 131 4.412 7.414 22.286 1.00 1.22 H new ATOM 0 HA ASP A 131 4.106 8.606 24.114 1.00 1.45 H new ATOM 0 HB2 ASP A 131 5.758 10.109 22.681 1.00 1.64 H new ATOM 0 HB3 ASP A 131 4.392 11.203 22.591 1.00 1.64 H new ATOM 2002 N GLY A 132 1.772 9.951 22.295 1.00 1.31 N ATOM 2003 CA GLY A 132 0.387 10.404 22.283 1.00 1.35 C ATOM 2004 C GLY A 132 0.057 11.278 21.078 1.00 1.46 C ATOM 2005 O GLY A 132 -0.820 12.142 21.161 1.00 1.75 O ATOM 0 H GLY A 132 2.185 9.858 21.367 1.00 1.31 H new ATOM 0 HA2 GLY A 132 -0.273 9.537 22.288 1.00 1.35 H new ATOM 0 HA3 GLY A 132 0.185 10.963 23.197 1.00 1.35 H new ATOM 2009 N ASP A 133 0.766 11.049 19.960 1.00 1.34 N ATOM 2010 CA ASP A 133 0.555 11.804 18.720 1.00 1.49 C ATOM 2011 C ASP A 133 0.628 10.868 17.511 1.00 1.37 C ATOM 2012 O ASP A 133 -0.315 10.800 16.718 1.00 1.69 O ATOM 2013 CB ASP A 133 1.586 12.939 18.585 1.00 1.52 C ATOM 2014 CG ASP A 133 1.368 14.049 19.596 1.00 1.94 C ATOM 2015 OD1 ASP A 133 0.617 14.997 19.285 1.00 2.14 O ATOM 2016 OD2 ASP A 133 1.949 13.970 20.699 1.00 2.60 O ATOM 0 H ASP A 133 1.496 10.340 19.893 1.00 1.34 H new ATOM 0 HA ASP A 133 -0.438 12.252 18.757 1.00 1.49 H new ATOM 0 HB2 ASP A 133 2.589 12.531 18.710 1.00 1.52 H new ATOM 0 HB3 ASP A 133 1.534 13.354 17.578 1.00 1.52 H new ATOM 2021 N GLY A 134 1.754 10.147 17.386 1.00 1.04 N ATOM 2022 CA GLY A 134 1.941 9.204 16.289 1.00 1.15 C ATOM 2023 C GLY A 134 2.656 9.783 15.077 1.00 1.03 C ATOM 2024 O GLY A 134 2.742 9.109 14.049 1.00 1.25 O ATOM 0 H GLY A 134 2.541 10.204 18.032 1.00 1.04 H new ATOM 0 HA2 GLY A 134 2.507 8.348 16.655 1.00 1.15 H new ATOM 0 HA3 GLY A 134 0.966 8.831 15.976 1.00 1.15 H new ATOM 2028 N GLN A 135 3.182 11.021 15.186 1.00 0.84 N ATOM 2029 CA GLN A 135 3.905 11.657 14.065 1.00 0.77 C ATOM 2030 C GLN A 135 5.246 10.971 13.832 1.00 0.74 C ATOM 2031 O GLN A 135 6.137 11.015 14.688 1.00 0.80 O ATOM 2032 CB GLN A 135 4.069 13.178 14.262 1.00 0.80 C ATOM 2033 CG GLN A 135 4.565 13.612 15.642 1.00 1.03 C ATOM 2034 CD GLN A 135 4.708 15.116 15.763 1.00 1.40 C ATOM 2035 OE1 GLN A 135 5.767 15.676 15.477 1.00 2.05 O ATOM 2036 NE2 GLN A 135 3.640 15.780 16.191 1.00 1.98 N ATOM 0 H GLN A 135 3.121 11.594 16.028 1.00 0.84 H new ATOM 0 HA GLN A 135 3.298 11.528 13.169 1.00 0.77 H new ATOM 0 HB2 GLN A 135 4.765 13.551 13.511 1.00 0.80 H new ATOM 0 HB3 GLN A 135 3.108 13.657 14.073 1.00 0.80 H new ATOM 0 HG2 GLN A 135 3.871 13.254 16.403 1.00 1.03 H new ATOM 0 HG3 GLN A 135 5.528 13.142 15.843 1.00 1.03 H new ATOM 0 HE21 GLN A 135 2.783 15.276 16.417 1.00 1.98 H new ATOM 0 HE22 GLN A 135 3.677 16.794 16.294 1.00 1.98 H new ATOM 2045 N VAL A 136 5.371 10.331 12.659 1.00 0.69 N ATOM 2046 CA VAL A 136 6.600 9.567 12.325 1.00 0.68 C ATOM 2047 C VAL A 136 6.788 9.357 10.823 1.00 0.64 C ATOM 2048 O VAL A 136 5.841 9.047 10.108 1.00 0.67 O ATOM 2049 CB VAL A 136 6.673 8.179 13.036 1.00 0.75 C ATOM 2050 CG1 VAL A 136 7.502 8.285 14.306 1.00 0.91 C ATOM 2051 CG2 VAL A 136 5.288 7.605 13.360 1.00 0.88 C ATOM 0 H VAL A 136 4.655 10.322 11.933 1.00 0.69 H new ATOM 0 HA VAL A 136 7.408 10.196 12.697 1.00 0.68 H new ATOM 0 HB VAL A 136 7.150 7.490 12.339 1.00 0.75 H new ATOM 0 HG11 VAL A 136 7.546 7.311 14.794 1.00 0.91 H new ATOM 0 HG12 VAL A 136 8.511 8.612 14.055 1.00 0.91 H new ATOM 0 HG13 VAL A 136 7.044 9.008 14.980 1.00 0.91 H new ATOM 0 HG21 VAL A 136 5.401 6.640 13.853 1.00 0.88 H new ATOM 0 HG22 VAL A 136 4.756 8.290 14.020 1.00 0.88 H new ATOM 0 HG23 VAL A 136 4.722 7.477 12.437 1.00 0.88 H new ATOM 2061 N ASN A 137 8.036 9.543 10.371 1.00 0.63 N ATOM 2062 CA ASN A 137 8.421 9.401 8.966 1.00 0.62 C ATOM 2063 C ASN A 137 9.011 8.022 8.601 1.00 0.59 C ATOM 2064 O ASN A 137 8.908 7.050 9.353 1.00 0.59 O ATOM 2065 CB ASN A 137 9.427 10.513 8.619 1.00 0.66 C ATOM 2066 CG ASN A 137 10.576 10.645 9.614 1.00 0.80 C ATOM 2067 OD1 ASN A 137 11.622 10.015 9.459 1.00 1.18 O ATOM 2068 ND2 ASN A 137 10.379 11.466 10.639 1.00 1.45 N ATOM 0 H ASN A 137 8.813 9.799 10.980 1.00 0.63 H new ATOM 0 HA ASN A 137 7.508 9.488 8.377 1.00 0.62 H new ATOM 0 HB2 ASN A 137 9.839 10.320 7.628 1.00 0.66 H new ATOM 0 HB3 ASN A 137 8.897 11.464 8.564 1.00 0.66 H new ATOM 0 HD21 ASN A 137 11.111 11.594 11.338 1.00 1.45 H new ATOM 0 HD22 ASN A 137 9.496 11.968 10.728 1.00 1.45 H new ATOM 2075 N TYR A 138 9.617 8.001 7.396 1.00 0.62 N ATOM 2076 CA TYR A 138 10.291 6.860 6.751 1.00 0.66 C ATOM 2077 C TYR A 138 11.132 5.964 7.686 1.00 0.61 C ATOM 2078 O TYR A 138 11.414 4.817 7.330 1.00 0.67 O ATOM 2079 CB TYR A 138 11.140 7.470 5.615 1.00 0.75 C ATOM 2080 CG TYR A 138 12.000 6.507 4.810 1.00 1.21 C ATOM 2081 CD1 TYR A 138 11.529 5.931 3.639 1.00 1.93 C ATOM 2082 CD2 TYR A 138 13.293 6.199 5.218 1.00 2.03 C ATOM 2083 CE1 TYR A 138 12.322 5.074 2.899 1.00 2.59 C ATOM 2084 CE2 TYR A 138 14.089 5.341 4.485 1.00 2.76 C ATOM 2085 CZ TYR A 138 13.599 4.782 3.326 1.00 2.81 C ATOM 2086 OH TYR A 138 14.389 3.930 2.590 1.00 3.66 O ATOM 0 H TYR A 138 9.650 8.836 6.811 1.00 0.62 H new ATOM 0 HA TYR A 138 9.536 6.163 6.387 1.00 0.66 H new ATOM 0 HB2 TYR A 138 10.468 7.983 4.927 1.00 0.75 H new ATOM 0 HB3 TYR A 138 11.793 8.228 6.048 1.00 0.75 H new ATOM 0 HD1 TYR A 138 10.528 6.155 3.301 1.00 1.93 H new ATOM 0 HD2 TYR A 138 13.682 6.639 6.125 1.00 2.03 H new ATOM 0 HE1 TYR A 138 11.942 4.635 1.989 1.00 2.59 H new ATOM 0 HE2 TYR A 138 15.090 5.110 4.819 1.00 2.76 H new ATOM 0 HH TYR A 138 15.260 3.831 3.028 1.00 3.66 H new ATOM 2096 N GLU A 139 11.531 6.470 8.860 1.00 0.57 N ATOM 2097 CA GLU A 139 12.330 5.681 9.812 1.00 0.60 C ATOM 2098 C GLU A 139 11.575 4.418 10.279 1.00 0.54 C ATOM 2099 O GLU A 139 12.052 3.298 10.074 1.00 0.57 O ATOM 2100 CB GLU A 139 12.735 6.542 11.019 1.00 0.68 C ATOM 2101 CG GLU A 139 13.811 7.572 10.707 1.00 0.89 C ATOM 2102 CD GLU A 139 14.189 8.404 11.917 1.00 1.36 C ATOM 2103 OE1 GLU A 139 13.552 9.455 12.137 1.00 2.24 O ATOM 2104 OE2 GLU A 139 15.123 8.004 12.644 1.00 1.61 O ATOM 0 H GLU A 139 11.316 7.416 9.174 1.00 0.57 H new ATOM 0 HA GLU A 139 13.232 5.355 9.294 1.00 0.60 H new ATOM 0 HB2 GLU A 139 11.852 7.056 11.399 1.00 0.68 H new ATOM 0 HB3 GLU A 139 13.091 5.889 11.816 1.00 0.68 H new ATOM 0 HG2 GLU A 139 14.698 7.063 10.329 1.00 0.89 H new ATOM 0 HG3 GLU A 139 13.459 8.231 9.913 1.00 0.89 H new ATOM 2111 N GLU A 140 10.405 4.616 10.904 1.00 0.51 N ATOM 2112 CA GLU A 140 9.574 3.509 11.404 1.00 0.52 C ATOM 2113 C GLU A 140 8.553 3.015 10.381 1.00 0.47 C ATOM 2114 O GLU A 140 8.289 1.812 10.306 1.00 0.49 O ATOM 2115 CB GLU A 140 8.852 3.928 12.686 1.00 0.59 C ATOM 2116 CG GLU A 140 9.750 3.973 13.914 1.00 1.02 C ATOM 2117 CD GLU A 140 8.999 4.366 15.170 1.00 1.31 C ATOM 2118 OE1 GLU A 140 8.473 3.463 15.855 1.00 1.91 O ATOM 2119 OE2 GLU A 140 8.936 5.577 15.470 1.00 2.02 O ATOM 0 H GLU A 140 10.010 5.540 11.077 1.00 0.51 H new ATOM 0 HA GLU A 140 10.253 2.681 11.606 1.00 0.52 H new ATOM 0 HB2 GLU A 140 8.409 4.912 12.536 1.00 0.59 H new ATOM 0 HB3 GLU A 140 8.032 3.234 12.873 1.00 0.59 H new ATOM 0 HG2 GLU A 140 10.209 2.995 14.060 1.00 1.02 H new ATOM 0 HG3 GLU A 140 10.560 4.682 13.742 1.00 1.02 H new ATOM 2126 N PHE A 141 7.979 3.941 9.595 1.00 0.45 N ATOM 2127 CA PHE A 141 6.959 3.592 8.589 1.00 0.43 C ATOM 2128 C PHE A 141 7.471 2.616 7.524 1.00 0.41 C ATOM 2129 O PHE A 141 6.672 1.953 6.860 1.00 0.44 O ATOM 2130 CB PHE A 141 6.390 4.850 7.937 1.00 0.45 C ATOM 2131 CG PHE A 141 5.136 5.338 8.607 1.00 0.69 C ATOM 2132 CD1 PHE A 141 5.197 6.243 9.653 1.00 1.33 C ATOM 2133 CD2 PHE A 141 3.892 4.888 8.192 1.00 1.55 C ATOM 2134 CE1 PHE A 141 4.043 6.691 10.268 1.00 1.59 C ATOM 2135 CE2 PHE A 141 2.738 5.334 8.807 1.00 1.88 C ATOM 2136 CZ PHE A 141 2.814 6.236 9.845 1.00 1.54 C ATOM 0 H PHE A 141 8.203 4.935 9.636 1.00 0.45 H new ATOM 0 HA PHE A 141 6.163 3.075 9.125 1.00 0.43 H new ATOM 0 HB2 PHE A 141 7.141 5.639 7.964 1.00 0.45 H new ATOM 0 HB3 PHE A 141 6.180 4.646 6.887 1.00 0.45 H new ATOM 0 HD1 PHE A 141 6.157 6.603 9.992 1.00 1.33 H new ATOM 0 HD2 PHE A 141 3.824 4.181 7.379 1.00 1.55 H new ATOM 0 HE1 PHE A 141 4.105 7.399 11.081 1.00 1.59 H new ATOM 0 HE2 PHE A 141 1.776 4.975 8.474 1.00 1.88 H new ATOM 0 HZ PHE A 141 1.912 6.585 10.326 1.00 1.54 H new ATOM 2146 N VAL A 142 8.803 2.526 7.371 1.00 0.42 N ATOM 2147 CA VAL A 142 9.418 1.592 6.419 1.00 0.44 C ATOM 2148 C VAL A 142 9.275 0.171 6.919 1.00 0.46 C ATOM 2149 O VAL A 142 9.097 -0.748 6.123 1.00 0.48 O ATOM 2150 CB VAL A 142 10.910 1.901 6.200 1.00 0.48 C ATOM 2151 CG1 VAL A 142 11.744 0.637 6.012 1.00 0.53 C ATOM 2152 CG2 VAL A 142 11.103 2.844 5.026 1.00 0.50 C ATOM 0 H VAL A 142 9.472 3.089 7.895 1.00 0.42 H new ATOM 0 HA VAL A 142 8.899 1.708 5.467 1.00 0.44 H new ATOM 0 HB VAL A 142 11.265 2.391 7.106 1.00 0.48 H new ATOM 0 HG11 VAL A 142 12.789 0.909 5.861 1.00 0.53 H new ATOM 0 HG12 VAL A 142 11.657 0.009 6.898 1.00 0.53 H new ATOM 0 HG13 VAL A 142 11.383 0.089 5.142 1.00 0.53 H new ATOM 0 HG21 VAL A 142 12.166 3.046 4.893 1.00 0.50 H new ATOM 0 HG22 VAL A 142 10.705 2.385 4.121 1.00 0.50 H new ATOM 0 HG23 VAL A 142 10.577 3.779 5.220 1.00 0.50 H new ATOM 2162 N GLN A 143 9.388 0.003 8.247 1.00 0.49 N ATOM 2163 CA GLN A 143 9.248 -1.305 8.888 1.00 0.54 C ATOM 2164 C GLN A 143 7.985 -2.022 8.398 1.00 0.52 C ATOM 2165 O GLN A 143 7.933 -3.255 8.370 1.00 0.57 O ATOM 2166 CB GLN A 143 9.219 -1.134 10.402 1.00 0.59 C ATOM 2167 CG GLN A 143 9.752 -2.330 11.181 1.00 0.64 C ATOM 2168 CD GLN A 143 9.715 -2.111 12.681 1.00 0.89 C ATOM 2169 OE1 GLN A 143 8.726 -2.426 13.342 1.00 1.62 O ATOM 2170 NE2 GLN A 143 10.797 -1.568 13.226 1.00 1.55 N ATOM 0 H GLN A 143 9.577 0.766 8.897 1.00 0.49 H new ATOM 0 HA GLN A 143 10.105 -1.922 8.618 1.00 0.54 H new ATOM 0 HB2 GLN A 143 9.804 -0.253 10.667 1.00 0.59 H new ATOM 0 HB3 GLN A 143 8.193 -0.941 10.714 1.00 0.59 H new ATOM 0 HG2 GLN A 143 9.164 -3.213 10.932 1.00 0.64 H new ATOM 0 HG3 GLN A 143 10.777 -2.533 10.872 1.00 0.64 H new ATOM 0 HE21 GLN A 143 11.595 -1.322 12.640 1.00 1.55 H new ATOM 0 HE22 GLN A 143 10.831 -1.397 14.231 1.00 1.55 H new ATOM 2179 N MET A 144 6.970 -1.216 8.030 1.00 0.49 N ATOM 2180 CA MET A 144 5.728 -1.715 7.441 1.00 0.49 C ATOM 2181 C MET A 144 6.086 -2.560 6.217 1.00 0.51 C ATOM 2182 O MET A 144 5.512 -3.628 5.985 1.00 0.58 O ATOM 2183 CB MET A 144 4.813 -0.510 7.043 1.00 0.52 C ATOM 2184 CG MET A 144 4.110 -0.599 5.671 1.00 0.93 C ATOM 2185 SD MET A 144 5.156 -0.016 4.324 1.00 2.33 S ATOM 2186 CE MET A 144 4.907 1.755 4.427 1.00 3.20 C ATOM 0 H MET A 144 6.996 -0.202 8.136 1.00 0.49 H new ATOM 0 HA MET A 144 5.181 -2.329 8.156 1.00 0.49 H new ATOM 0 HB2 MET A 144 4.048 -0.395 7.811 1.00 0.52 H new ATOM 0 HB3 MET A 144 5.418 0.397 7.058 1.00 0.52 H new ATOM 0 HG2 MET A 144 3.820 -1.632 5.481 1.00 0.93 H new ATOM 0 HG3 MET A 144 3.193 -0.010 5.697 1.00 0.93 H new ATOM 0 HE1 MET A 144 5.644 2.263 3.805 1.00 3.20 H new ATOM 0 HE2 MET A 144 3.905 2.002 4.077 1.00 3.20 H new ATOM 0 HE3 MET A 144 5.020 2.079 5.462 1.00 3.20 H new ATOM 2196 N MET A 145 7.051 -2.037 5.451 1.00 0.49 N ATOM 2197 CA MET A 145 7.504 -2.676 4.233 1.00 0.56 C ATOM 2198 C MET A 145 8.721 -3.596 4.410 1.00 0.62 C ATOM 2199 O MET A 145 8.776 -4.658 3.783 1.00 0.75 O ATOM 2200 CB MET A 145 7.805 -1.605 3.203 1.00 0.58 C ATOM 2201 CG MET A 145 7.446 -2.013 1.791 1.00 1.52 C ATOM 2202 SD MET A 145 8.361 -3.454 1.200 1.00 2.50 S ATOM 2203 CE MET A 145 7.625 -3.694 -0.413 1.00 3.22 C ATOM 0 H MET A 145 7.531 -1.163 5.666 1.00 0.49 H new ATOM 0 HA MET A 145 6.696 -3.329 3.903 1.00 0.56 H new ATOM 0 HB2 MET A 145 7.258 -0.698 3.462 1.00 0.58 H new ATOM 0 HB3 MET A 145 8.866 -1.360 3.244 1.00 0.58 H new ATOM 0 HG2 MET A 145 6.378 -2.227 1.744 1.00 1.52 H new ATOM 0 HG3 MET A 145 7.633 -1.174 1.121 1.00 1.52 H new ATOM 0 HE1 MET A 145 8.101 -4.540 -0.908 1.00 3.22 H new ATOM 0 HE2 MET A 145 6.559 -3.892 -0.301 1.00 3.22 H new ATOM 0 HE3 MET A 145 7.765 -2.796 -1.014 1.00 3.22 H new ATOM 2213 N THR A 146 9.687 -3.206 5.265 1.00 0.59 N ATOM 2214 CA THR A 146 10.922 -3.967 5.425 1.00 0.68 C ATOM 2215 C THR A 146 10.736 -5.317 6.128 1.00 0.78 C ATOM 2216 O THR A 146 11.515 -6.248 5.903 1.00 0.89 O ATOM 2217 CB THR A 146 11.971 -3.166 6.206 1.00 0.69 C ATOM 2218 OG1 THR A 146 11.346 -2.155 7.000 1.00 0.63 O ATOM 2219 CG2 THR A 146 12.995 -2.535 5.267 1.00 0.71 C ATOM 0 H THR A 146 9.628 -2.371 5.849 1.00 0.59 H new ATOM 0 HA THR A 146 11.259 -4.161 4.407 1.00 0.68 H new ATOM 0 HB THR A 146 12.493 -3.860 6.866 1.00 0.69 H new ATOM 0 HG1 THR A 146 11.944 -1.898 7.733 1.00 0.63 H new ATOM 0 HG21 THR A 146 13.726 -1.974 5.850 1.00 0.71 H new ATOM 0 HG22 THR A 146 13.504 -3.318 4.704 1.00 0.71 H new ATOM 0 HG23 THR A 146 12.488 -1.862 4.575 1.00 0.71 H new ATOM 2227 N ALA A 147 9.704 -5.410 6.973 1.00 0.77 N ATOM 2228 CA ALA A 147 9.393 -6.635 7.712 1.00 0.88 C ATOM 2229 C ALA A 147 8.870 -7.747 6.792 1.00 0.94 C ATOM 2230 O ALA A 147 7.813 -7.606 6.170 1.00 0.91 O ATOM 2231 CB ALA A 147 8.390 -6.341 8.820 1.00 0.90 C ATOM 0 H ALA A 147 9.063 -4.640 7.163 1.00 0.77 H new ATOM 0 HA ALA A 147 10.321 -6.995 8.156 1.00 0.88 H new ATOM 0 HB1 ALA A 147 8.167 -7.260 9.362 1.00 0.90 H new ATOM 0 HB2 ALA A 147 8.812 -5.608 9.507 1.00 0.90 H new ATOM 0 HB3 ALA A 147 7.473 -5.945 8.385 1.00 0.90 H new ATOM 2237 N LYS A 148 9.638 -8.856 6.719 1.00 1.08 N ATOM 2238 CA LYS A 148 9.312 -10.040 5.884 1.00 1.19 C ATOM 2239 C LYS A 148 9.169 -9.682 4.396 1.00 1.63 C ATOM 2240 O LYS A 148 10.060 -10.072 3.612 1.00 2.21 O ATOM 2241 CB LYS A 148 8.041 -10.762 6.388 1.00 1.53 C ATOM 2242 CG LYS A 148 8.232 -11.532 7.693 1.00 2.17 C ATOM 2243 CD LYS A 148 8.063 -10.637 8.914 1.00 2.29 C ATOM 2244 CE LYS A 148 8.250 -11.418 10.205 1.00 3.11 C ATOM 2245 NZ LYS A 148 8.083 -10.554 11.406 1.00 3.56 N ATOM 2246 OXT LYS A 148 8.178 -9.013 4.030 1.00 2.14 O ATOM 0 H LYS A 148 10.509 -8.959 7.241 1.00 1.08 H new ATOM 0 HA LYS A 148 10.156 -10.723 5.981 1.00 1.19 H new ATOM 0 HB2 LYS A 148 7.250 -10.025 6.527 1.00 1.53 H new ATOM 0 HB3 LYS A 148 7.701 -11.454 5.618 1.00 1.53 H new ATOM 0 HG2 LYS A 148 7.512 -12.349 7.740 1.00 2.17 H new ATOM 0 HG3 LYS A 148 9.225 -11.981 7.707 1.00 2.17 H new ATOM 0 HD2 LYS A 148 8.786 -9.822 8.872 1.00 2.29 H new ATOM 0 HD3 LYS A 148 7.071 -10.185 8.901 1.00 2.29 H new ATOM 0 HE2 LYS A 148 7.529 -12.235 10.243 1.00 3.11 H new ATOM 0 HE3 LYS A 148 9.243 -11.868 10.217 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 8.218 -11.124 12.265 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 8.787 -9.789 11.384 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 7.127 -10.145 11.409 1.00 3.56 H new ATOM 2490 N LYS B 516 0.862 -0.242 7.349 1.00 0.00 N ATOM 2491 CA LYS B 516 0.967 -1.672 6.991 1.00 0.00 C ATOM 2492 C LYS B 516 -0.059 -2.242 5.991 1.00 0.00 C ATOM 2493 O LYS B 516 0.128 -3.376 5.535 1.00 0.00 O ATOM 2494 CB LYS B 516 0.922 -2.511 8.274 1.00 0.00 C ATOM 2495 CG LYS B 516 2.214 -2.480 9.078 1.00 0.00 C ATOM 2496 CD LYS B 516 2.081 -3.264 10.376 1.00 0.00 C ATOM 2497 CE LYS B 516 3.346 -3.181 11.219 1.00 0.00 C ATOM 2498 NZ LYS B 516 3.506 -1.847 11.865 1.00 0.00 N ATOM 0 HA LYS B 516 1.916 -1.735 6.458 1.00 0.00 H new ATOM 0 HB2 LYS B 516 0.106 -2.153 8.902 1.00 0.00 H new ATOM 0 HB3 LYS B 516 0.693 -3.544 8.013 1.00 0.00 H new ATOM 0 HG2 LYS B 516 3.025 -2.897 8.481 1.00 0.00 H new ATOM 0 HG3 LYS B 516 2.480 -1.447 9.301 1.00 0.00 H new ATOM 0 HD2 LYS B 516 1.237 -2.879 10.948 1.00 0.00 H new ATOM 0 HD3 LYS B 516 1.863 -4.308 10.150 1.00 0.00 H new ATOM 0 HE2 LYS B 516 3.320 -3.954 11.987 1.00 0.00 H new ATOM 0 HE3 LYS B 516 4.213 -3.385 10.591 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 4.362 -1.848 12.455 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 3.591 -1.114 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 2.676 -1.647 12.459 1.00 0.00 H new ATOM 2512 N VAL B 517 -1.123 -1.515 5.645 1.00 0.00 N ATOM 2513 CA VAL B 517 -2.109 -2.064 4.697 1.00 0.00 C ATOM 2514 C VAL B 517 -2.397 -1.153 3.538 1.00 0.00 C ATOM 2515 O VAL B 517 -2.195 -1.524 2.382 1.00 0.00 O ATOM 2516 CB VAL B 517 -3.428 -2.509 5.363 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -3.322 -3.970 5.713 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -3.781 -1.680 6.597 1.00 0.00 C ATOM 0 H VAL B 517 -1.326 -0.577 5.990 1.00 0.00 H new ATOM 0 HA VAL B 517 -1.621 -2.957 4.305 1.00 0.00 H new ATOM 0 HB VAL B 517 -4.239 -2.347 4.653 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -4.248 -4.299 6.185 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -3.151 -4.550 4.806 1.00 0.00 H new ATOM 0 HG13 VAL B 517 -2.490 -4.120 6.402 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -4.718 -2.040 7.021 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -2.987 -1.774 7.338 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -3.890 -0.633 6.313 1.00 0.00 H new ATOM 2528 N LEU B 518 -2.877 0.022 3.860 1.00 0.00 N ATOM 2529 CA LEU B 518 -3.191 1.068 2.900 1.00 0.00 C ATOM 2530 C LEU B 518 -1.987 1.400 1.991 1.00 0.00 C ATOM 2531 O LEU B 518 -2.129 2.134 1.014 1.00 0.00 O ATOM 2532 CB LEU B 518 -3.575 2.313 3.702 1.00 0.00 C ATOM 2533 CG LEU B 518 -4.883 2.287 4.538 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -6.042 1.638 3.798 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -4.672 1.605 5.885 1.00 0.00 C ATOM 0 H LEU B 518 -3.068 0.292 4.825 1.00 0.00 H new ATOM 0 HA LEU B 518 -4.000 0.732 2.252 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -2.752 2.535 4.382 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -3.645 3.147 3.004 1.00 0.00 H new ATOM 0 HG LEU B 518 -5.149 3.330 4.710 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -6.929 1.648 4.431 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -6.244 2.192 2.881 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -5.785 0.608 3.551 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -5.608 1.605 6.443 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -4.345 0.578 5.725 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -3.912 2.144 6.451 1.00 0.00 H new ATOM 2547 N VAL B 519 -0.820 0.818 2.321 1.00 0.00 N ATOM 2548 CA VAL B 519 0.425 1.034 1.584 1.00 0.00 C ATOM 2549 C VAL B 519 0.936 -0.290 1.080 1.00 0.00 C ATOM 2550 O VAL B 519 1.413 -0.377 -0.049 1.00 0.00 O ATOM 2551 CB VAL B 519 1.529 1.716 2.445 1.00 0.00 C ATOM 2552 CG1 VAL B 519 2.658 2.258 1.566 1.00 0.00 C ATOM 2553 CG2 VAL B 519 0.959 2.849 3.264 1.00 0.00 C ATOM 0 H VAL B 519 -0.720 0.182 3.112 1.00 0.00 H new ATOM 0 HA VAL B 519 0.199 1.708 0.758 1.00 0.00 H new ATOM 0 HB VAL B 519 1.928 0.953 3.114 1.00 0.00 H new ATOM 0 HG11 VAL B 519 3.414 2.729 2.194 1.00 0.00 H new ATOM 0 HG12 VAL B 519 3.109 1.438 1.007 1.00 0.00 H new ATOM 0 HG13 VAL B 519 2.256 2.994 0.870 1.00 0.00 H new ATOM 0 HG21 VAL B 519 1.753 3.306 3.855 1.00 0.00 H new ATOM 0 HG22 VAL B 519 0.525 3.596 2.599 1.00 0.00 H new ATOM 0 HG23 VAL B 519 0.187 2.464 3.930 1.00 0.00 H new ATOM 2563 N LYS B 520 0.852 -1.319 1.929 1.00 0.00 N ATOM 2564 CA LYS B 520 1.263 -2.653 1.549 1.00 0.00 C ATOM 2565 C LYS B 520 0.387 -3.195 0.432 1.00 0.00 C ATOM 2566 O LYS B 520 0.760 -4.135 -0.276 1.00 0.00 O ATOM 2567 CB LYS B 520 1.221 -3.572 2.751 1.00 0.00 C ATOM 2568 CG LYS B 520 2.544 -4.283 2.976 1.00 0.00 C ATOM 2569 CD LYS B 520 3.059 -4.983 1.706 1.00 0.00 C ATOM 2570 CE LYS B 520 4.527 -5.375 1.829 1.00 0.00 C ATOM 2571 NZ LYS B 520 4.741 -6.471 2.818 1.00 0.00 N ATOM 0 H LYS B 520 0.501 -1.242 2.884 1.00 0.00 H new ATOM 0 HA LYS B 520 2.287 -2.605 1.178 1.00 0.00 H new ATOM 0 HB2 LYS B 520 0.965 -2.994 3.639 1.00 0.00 H new ATOM 0 HB3 LYS B 520 0.432 -4.311 2.614 1.00 0.00 H new ATOM 0 HG2 LYS B 520 3.287 -3.562 3.317 1.00 0.00 H new ATOM 0 HG3 LYS B 520 2.427 -5.019 3.771 1.00 0.00 H new ATOM 0 HD2 LYS B 520 2.460 -5.873 1.514 1.00 0.00 H new ATOM 0 HD3 LYS B 520 2.930 -4.322 0.849 1.00 0.00 H new ATOM 0 HE2 LYS B 520 4.899 -5.691 0.854 1.00 0.00 H new ATOM 0 HE3 LYS B 520 5.110 -4.503 2.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 5.464 -6.181 3.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 3.849 -6.669 3.315 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 5.059 -7.328 2.323 1.00 0.00 H new ATOM 2585 N ALA B 521 -0.782 -2.574 0.303 1.00 0.00 N ATOM 2586 CA ALA B 521 -1.732 -2.893 -0.738 1.00 0.00 C ATOM 2587 C ALA B 521 -1.471 -1.989 -1.947 1.00 0.00 C ATOM 2588 O ALA B 521 -2.295 -1.859 -2.861 1.00 0.00 O ATOM 2589 CB ALA B 521 -3.127 -2.698 -0.197 1.00 0.00 C ATOM 0 H ALA B 521 -1.092 -1.830 0.928 1.00 0.00 H new ATOM 0 HA ALA B 521 -1.625 -3.930 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -3.855 -2.935 -0.973 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -3.281 -3.356 0.658 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -3.255 -1.661 0.115 1.00 0.00 H new ATOM 2595 N VAL B 522 -0.275 -1.391 -1.920 1.00 0.00 N ATOM 2596 CA VAL B 522 0.197 -0.450 -2.921 1.00 0.00 C ATOM 2597 C VAL B 522 1.701 -0.643 -3.182 1.00 0.00 C ATOM 2598 O VAL B 522 2.196 -0.215 -4.229 1.00 0.00 O ATOM 2599 CB VAL B 522 -0.070 1.042 -2.536 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -0.004 1.944 -3.765 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -1.418 1.218 -1.843 1.00 0.00 C ATOM 0 H VAL B 522 0.404 -1.558 -1.178 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.372 -0.664 -3.826 1.00 0.00 H new ATOM 0 HB VAL B 522 0.714 1.332 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -0.193 2.976 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL B 522 0.985 1.872 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -0.757 1.630 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -1.564 2.269 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -2.215 0.890 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -1.439 0.621 -0.931 1.00 0.00 H new ATOM 2611 N LEU B 523 2.434 -1.285 -2.234 1.00 0.00 N ATOM 2612 CA LEU B 523 3.865 -1.531 -2.404 1.00 0.00 C ATOM 2613 C LEU B 523 4.056 -2.744 -3.299 1.00 0.00 C ATOM 2614 O LEU B 523 5.161 -3.025 -3.772 1.00 0.00 O ATOM 2615 CB LEU B 523 4.537 -1.744 -1.047 1.00 0.00 C ATOM 2616 CG LEU B 523 4.583 -0.495 -0.154 1.00 0.00 C ATOM 2617 CD1 LEU B 523 4.291 -0.835 1.298 1.00 0.00 C ATOM 2618 CD2 LEU B 523 5.911 0.240 -0.278 1.00 0.00 C ATOM 0 H LEU B 523 2.049 -1.633 -1.356 1.00 0.00 H new ATOM 0 HA LEU B 523 4.331 -0.664 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.009 -2.536 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU B 523 5.556 -2.095 -1.212 1.00 0.00 H new ATOM 0 HG LEU B 523 3.798 0.174 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU B 523 4.332 0.073 1.900 1.00 0.00 H new ATOM 0 HD12 LEU B 523 3.298 -1.277 1.376 1.00 0.00 H new ATOM 0 HD13 LEU B 523 5.033 -1.545 1.662 1.00 0.00 H new ATOM 0 HD21 LEU B 523 5.903 1.117 0.369 1.00 0.00 H new ATOM 0 HD22 LEU B 523 6.723 -0.423 0.020 1.00 0.00 H new ATOM 0 HD23 LEU B 523 6.058 0.553 -1.312 1.00 0.00 H new ATOM 2630 N PHE B 524 2.939 -3.455 -3.514 1.00 0.00 N ATOM 2631 CA PHE B 524 2.909 -4.622 -4.378 1.00 0.00 C ATOM 2632 C PHE B 524 2.678 -4.202 -5.842 1.00 0.00 C ATOM 2633 O PHE B 524 3.159 -4.857 -6.771 1.00 0.00 O ATOM 2634 CB PHE B 524 1.852 -5.624 -3.878 1.00 0.00 C ATOM 2635 CG PHE B 524 0.473 -5.421 -4.420 1.00 0.00 C ATOM 2636 CD1 PHE B 524 -0.447 -4.666 -3.731 1.00 0.00 C ATOM 2637 CD2 PHE B 524 0.114 -5.994 -5.618 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -1.718 -4.482 -4.231 1.00 0.00 C ATOM 2639 CE2 PHE B 524 -1.152 -5.818 -6.135 1.00 0.00 C ATOM 2640 CZ PHE B 524 -2.073 -5.059 -5.438 1.00 0.00 C ATOM 0 H PHE B 524 2.039 -3.230 -3.091 1.00 0.00 H new ATOM 0 HA PHE B 524 3.875 -5.126 -4.342 1.00 0.00 H new ATOM 0 HB2 PHE B 524 2.181 -6.631 -4.134 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.809 -5.569 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE B 524 -0.171 -4.213 -2.790 1.00 0.00 H new ATOM 0 HD2 PHE B 524 0.833 -6.590 -6.161 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -2.435 -3.889 -3.683 1.00 0.00 H new ATOM 0 HE2 PHE B 524 -1.422 -6.270 -7.078 1.00 0.00 H new ATOM 0 HZ PHE B 524 -3.068 -4.916 -5.834 1.00 0.00 H new ATOM 2650 N ALA B 525 1.931 -3.102 -6.016 1.00 0.00 N ATOM 2651 CA ALA B 525 1.614 -2.557 -7.337 1.00 0.00 C ATOM 2652 C ALA B 525 2.556 -1.407 -7.721 1.00 0.00 C ATOM 2653 O ALA B 525 2.507 -0.910 -8.851 1.00 0.00 O ATOM 2654 CB ALA B 525 0.165 -2.091 -7.371 1.00 0.00 C ATOM 0 H ALA B 525 1.532 -2.568 -5.244 1.00 0.00 H new ATOM 0 HA ALA B 525 1.756 -3.351 -8.070 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -0.064 -1.687 -8.357 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -0.493 -2.934 -7.163 1.00 0.00 H new ATOM 0 HB3 ALA B 525 0.014 -1.318 -6.618 1.00 0.00 H new ATOM 2660 N CYS B 526 3.419 -0.995 -6.776 1.00 0.00 N ATOM 2661 CA CYS B 526 4.384 0.092 -7.006 1.00 0.00 C ATOM 2662 C CYS B 526 5.674 -0.434 -7.664 1.00 0.00 C ATOM 2663 O CYS B 526 6.708 0.246 -7.674 1.00 0.00 O ATOM 2664 CB CYS B 526 4.706 0.795 -5.679 1.00 0.00 C ATOM 2665 SG CYS B 526 5.698 2.296 -5.863 1.00 0.00 S ATOM 0 H CYS B 526 3.467 -1.401 -5.842 1.00 0.00 H new ATOM 0 HA CYS B 526 3.933 0.810 -7.691 1.00 0.00 H new ATOM 0 HB2 CYS B 526 3.772 1.049 -5.178 1.00 0.00 H new ATOM 0 HB3 CYS B 526 5.237 0.098 -5.030 1.00 0.00 H new ATOM 0 HG CYS B 526 6.595 2.113 -6.786 1.00 0.00 H new ATOM 2671 N MET B 527 5.584 -1.641 -8.233 1.00 0.00 N ATOM 2672 CA MET B 527 6.715 -2.293 -8.897 1.00 0.00 C ATOM 2673 C MET B 527 6.356 -2.726 -10.328 1.00 0.00 C ATOM 2674 O MET B 527 7.228 -3.161 -11.087 1.00 0.00 O ATOM 2675 CB MET B 527 7.215 -3.497 -8.067 1.00 0.00 C ATOM 2676 CG MET B 527 6.110 -4.339 -7.431 1.00 0.00 C ATOM 2677 SD MET B 527 5.616 -5.737 -8.453 1.00 0.00 S ATOM 2678 CE MET B 527 6.586 -7.047 -7.712 1.00 0.00 C ATOM 0 H MET B 527 4.726 -2.192 -8.246 1.00 0.00 H new ATOM 0 HA MET B 527 7.523 -1.564 -8.968 1.00 0.00 H new ATOM 0 HB2 MET B 527 7.817 -4.139 -8.710 1.00 0.00 H new ATOM 0 HB3 MET B 527 7.872 -3.129 -7.279 1.00 0.00 H new ATOM 0 HG2 MET B 527 6.452 -4.706 -6.463 1.00 0.00 H new ATOM 0 HG3 MET B 527 5.241 -3.708 -7.244 1.00 0.00 H new ATOM 0 HE1 MET B 527 6.799 -7.810 -8.461 1.00 0.00 H new ATOM 0 HE2 MET B 527 7.523 -6.637 -7.335 1.00 0.00 H new ATOM 0 HE3 MET B 527 6.027 -7.492 -6.889 1.00 0.00 H new ATOM 2688 N LEU B 528 5.062 -2.598 -10.687 1.00 0.00 N ATOM 2689 CA LEU B 528 4.549 -2.958 -12.019 1.00 0.00 C ATOM 2690 C LEU B 528 5.271 -2.225 -13.160 1.00 0.00 C ATOM 2691 O LEU B 528 5.557 -2.822 -14.202 1.00 0.00 O ATOM 2692 CB LEU B 528 3.046 -2.663 -12.096 1.00 0.00 C ATOM 2693 CG LEU B 528 2.195 -3.391 -11.056 1.00 0.00 C ATOM 2694 CD1 LEU B 528 0.896 -2.644 -10.799 1.00 0.00 C ATOM 2695 CD2 LEU B 528 1.913 -4.817 -11.493 1.00 0.00 C ATOM 0 H LEU B 528 4.344 -2.241 -10.057 1.00 0.00 H new ATOM 0 HA LEU B 528 4.737 -4.024 -12.150 1.00 0.00 H new ATOM 0 HB2 LEU B 528 2.895 -1.590 -11.982 1.00 0.00 H new ATOM 0 HB3 LEU B 528 2.688 -2.931 -13.090 1.00 0.00 H new ATOM 0 HG LEU B 528 2.759 -3.424 -10.124 1.00 0.00 H new ATOM 0 HD11 LEU B 528 0.308 -3.182 -10.055 1.00 0.00 H new ATOM 0 HD12 LEU B 528 1.119 -1.643 -10.430 1.00 0.00 H new ATOM 0 HD13 LEU B 528 0.329 -2.571 -11.727 1.00 0.00 H new ATOM 0 HD21 LEU B 528 1.306 -5.316 -10.737 1.00 0.00 H new ATOM 0 HD22 LEU B 528 1.376 -4.807 -12.442 1.00 0.00 H new ATOM 0 HD23 LEU B 528 2.854 -5.353 -11.614 1.00 0.00 H new ATOM 2707 N MET B 529 5.557 -0.932 -12.949 1.00 0.00 N ATOM 2708 CA MET B 529 6.235 -0.105 -13.951 1.00 0.00 C ATOM 2709 C MET B 529 7.755 -0.081 -13.724 1.00 0.00 C ATOM 2710 O MET B 529 8.383 0.985 -13.675 1.00 0.00 O ATOM 2711 CB MET B 529 5.649 1.315 -13.941 1.00 0.00 C ATOM 2712 CG MET B 529 4.365 1.451 -14.744 1.00 0.00 C ATOM 2713 SD MET B 529 4.612 1.168 -16.508 1.00 0.00 S ATOM 2714 CE MET B 529 3.711 -0.363 -16.738 1.00 0.00 C ATOM 0 H MET B 529 5.327 -0.437 -12.088 1.00 0.00 H new ATOM 0 HA MET B 529 6.065 -0.545 -14.933 1.00 0.00 H new ATOM 0 HB2 MET B 529 5.456 1.612 -12.910 1.00 0.00 H new ATOM 0 HB3 MET B 529 6.391 2.008 -14.338 1.00 0.00 H new ATOM 0 HG2 MET B 529 3.629 0.742 -14.366 1.00 0.00 H new ATOM 0 HG3 MET B 529 3.952 2.449 -14.595 1.00 0.00 H new ATOM 0 HE1 MET B 529 3.742 -0.649 -17.789 1.00 0.00 H new ATOM 0 HE2 MET B 529 4.167 -1.148 -16.135 1.00 0.00 H new ATOM 0 HE3 MET B 529 2.675 -0.225 -16.430 1.00 0.00 H new ATOM 2724 N ARG B 530 8.337 -1.278 -13.595 1.00 0.00 N ATOM 2725 CA ARG B 530 9.779 -1.429 -13.387 1.00 0.00 C ATOM 2726 C ARG B 530 10.489 -1.791 -14.693 1.00 0.00 C ATOM 2727 O ARG B 530 11.561 -1.254 -14.989 1.00 0.00 O ATOM 2728 CB ARG B 530 10.062 -2.497 -12.326 1.00 0.00 C ATOM 2729 CG ARG B 530 10.052 -1.966 -10.899 1.00 0.00 C ATOM 2730 CD ARG B 530 10.653 -2.967 -9.918 1.00 0.00 C ATOM 2731 NE ARG B 530 9.830 -4.176 -9.768 1.00 0.00 N ATOM 2732 CZ ARG B 530 10.226 -5.296 -9.145 1.00 0.00 C ATOM 2733 NH1 ARG B 530 11.437 -5.389 -8.599 1.00 0.00 N ATOM 2734 NH2 ARG B 530 9.400 -6.330 -9.073 1.00 0.00 N ATOM 0 H ARG B 530 7.827 -2.161 -13.631 1.00 0.00 H new ATOM 0 HA ARG B 530 10.166 -0.472 -13.038 1.00 0.00 H new ATOM 0 HB2 ARG B 530 9.318 -3.289 -12.414 1.00 0.00 H new ATOM 0 HB3 ARG B 530 11.033 -2.948 -12.529 1.00 0.00 H new ATOM 0 HG2 ARG B 530 10.613 -1.032 -10.855 1.00 0.00 H new ATOM 0 HG3 ARG B 530 9.028 -1.737 -10.603 1.00 0.00 H new ATOM 0 HD2 ARG B 530 11.649 -3.250 -10.258 1.00 0.00 H new ATOM 0 HD3 ARG B 530 10.772 -2.490 -8.945 1.00 0.00 H new ATOM 0 HE ARG B 530 8.891 -4.162 -10.166 1.00 0.00 H new ATOM 0 HH11 ARG B 530 12.082 -4.600 -8.650 1.00 0.00 H new ATOM 0 HH12 ARG B 530 11.720 -6.249 -8.129 1.00 0.00 H new ATOM 0 HH21 ARG B 530 8.471 -6.270 -9.490 1.00 0.00 H new ATOM 0 HH22 ARG B 530 9.693 -7.185 -8.601 1.00 0.00 H new