USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 573 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 13 ASN : amide:sc= -0.385 K(o=0.25,f=-2.5) USER MOD Set 1.2: A 17 LYS NZ :NH3+ -164:sc= 0.635 (180deg=-0.00442) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= -0.0588 (180deg=-0.33) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.078) USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0.258 (180deg=0.234) USER MOD Single : A 19 GLN : amide:sc= -3.75 K(o=-3.8,f=-4.3!) USER MOD Single : A 21 HIS : no HD1:sc= -0.259 K(o=-0.26,f=-1.4) USER MOD Single : A 23 THR OG1 : rot 69:sc= 0.913 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.08 F(o=-3.4!,f=-1.1) USER MOD Single : A 25 MET CE :methyl 158:sc= -0.0917 (180deg=-0.57) USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.713 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -1.47 F(o=-5.3!,f=-1.5) USER MOD Single : B 103 LYS NZ :NH3+ 165:sc=-0.00524 (180deg=-0.142) USER MOD Single : B 104 LYS NZ :NH3+ 171:sc=-0.00447 (180deg=-0.0918) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.037) USER MOD Single : B 113 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.011) USER MOD Single : B 115 LYS NZ :NH3+ 145:sc= 1.02 (180deg=-0.0824) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN :FLIP amide:sc= -2.76 F(o=-3.3!,f=-2.8) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : B 123 THR OG1 : rot 76:sc= 1.12 USER MOD Single : B 124 ASN :FLIP amide:sc= -1.56 F(o=-4.2!,f=-1.6) USER MOD Single : B 125 MET CE :methyl -162:sc= -0.124 (180deg=-0.565) USER MOD Single : B 128 THR OG1 : rot 69:sc= 1.22 USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 GLN :FLIP amide:sc= -0.38 F(o=-1.8,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 10.826 -4.820 22.454 1.00 71.32 N ATOM 36 CA LYS A 3 9.831 -3.734 22.328 1.00 1.05 C ATOM 37 C LYS A 3 10.057 -2.963 21.010 1.00 1.43 C ATOM 38 O LYS A 3 9.098 -2.547 20.354 1.00 0.23 O ATOM 39 CB LYS A 3 9.817 -2.795 23.583 1.00 3.43 C ATOM 40 CG LYS A 3 10.868 -1.649 23.661 1.00 13.34 C ATOM 41 CD LYS A 3 12.349 -2.101 23.476 1.00 3.55 C ATOM 42 CE LYS A 3 13.347 -1.235 24.246 1.00 25.25 C ATOM 43 NZ LYS A 3 13.155 -1.303 25.722 1.00 10.42 N ATOM 0 HA LYS A 3 8.837 -4.180 22.289 1.00 1.05 H new ATOM 0 HB2 LYS A 3 8.827 -2.343 23.649 1.00 3.43 H new ATOM 0 HB3 LYS A 3 9.941 -3.420 24.467 1.00 3.43 H new ATOM 0 HG2 LYS A 3 10.632 -0.907 22.898 1.00 13.34 H new ATOM 0 HG3 LYS A 3 10.773 -1.154 24.627 1.00 13.34 H new ATOM 0 HD2 LYS A 3 12.449 -3.136 23.803 1.00 3.55 H new ATOM 0 HD3 LYS A 3 12.599 -2.076 22.415 1.00 3.55 H new ATOM 0 HE2 LYS A 3 14.361 -1.553 24.001 1.00 25.25 H new ATOM 0 HE3 LYS A 3 13.250 -0.200 23.919 1.00 25.25 H new ATOM 0 HZ1 LYS A 3 14.025 -0.994 26.200 1.00 10.42 H new ATOM 0 HZ2 LYS A 3 12.368 -0.681 25.999 1.00 10.42 H new ATOM 0 HZ3 LYS A 3 12.937 -2.281 25.999 1.00 10.42 H new ATOM 57 N LYS A 4 11.348 -2.819 20.607 1.00 51.14 N ATOM 58 CA LYS A 4 11.695 -2.199 19.323 1.00 20.50 C ATOM 59 C LYS A 4 11.353 -3.149 18.181 1.00 35.35 C ATOM 60 O LYS A 4 10.914 -2.683 17.156 1.00 11.22 O ATOM 61 CB LYS A 4 13.186 -1.737 19.234 1.00 55.02 C ATOM 62 CG LYS A 4 14.271 -2.825 19.521 1.00 44.41 C ATOM 63 CD LYS A 4 15.305 -3.044 18.381 1.00 40.21 C ATOM 64 CE LYS A 4 14.737 -3.803 17.172 1.00 63.14 C ATOM 65 NZ LYS A 4 15.777 -4.100 16.148 1.00 43.14 N ATOM 0 H LYS A 4 12.151 -3.125 21.156 1.00 51.14 H new ATOM 0 HA LYS A 4 11.098 -1.291 19.240 1.00 20.50 H new ATOM 0 HB2 LYS A 4 13.360 -1.336 18.235 1.00 55.02 H new ATOM 0 HB3 LYS A 4 13.331 -0.916 19.936 1.00 55.02 H new ATOM 0 HG2 LYS A 4 14.808 -2.550 20.429 1.00 44.41 H new ATOM 0 HG3 LYS A 4 13.769 -3.772 19.722 1.00 44.41 H new ATOM 0 HD2 LYS A 4 15.677 -2.075 18.049 1.00 40.21 H new ATOM 0 HD3 LYS A 4 16.158 -3.595 18.777 1.00 40.21 H new ATOM 0 HE2 LYS A 4 14.288 -4.736 17.511 1.00 63.14 H new ATOM 0 HE3 LYS A 4 13.941 -3.213 16.717 1.00 63.14 H new ATOM 0 HZ1 LYS A 4 15.345 -4.612 15.353 1.00 43.14 H new ATOM 0 HZ2 LYS A 4 16.189 -3.209 15.803 1.00 43.14 H new ATOM 0 HZ3 LYS A 4 16.524 -4.686 16.572 1.00 43.14 H new ATOM 79 N LEU A 5 11.524 -4.488 18.390 1.00 63.32 N ATOM 80 CA LEU A 5 11.251 -5.524 17.352 1.00 72.21 C ATOM 81 C LEU A 5 9.857 -5.311 16.737 1.00 34.31 C ATOM 82 O LEU A 5 9.695 -5.260 15.504 1.00 64.15 O ATOM 83 CB LEU A 5 11.323 -6.959 17.952 1.00 54.33 C ATOM 84 CG LEU A 5 11.331 -8.119 16.900 1.00 22.13 C ATOM 85 CD1 LEU A 5 12.715 -8.241 16.246 1.00 34.10 C ATOM 86 CD2 LEU A 5 10.872 -9.464 17.496 1.00 21.35 C ATOM 0 H LEU A 5 11.852 -4.875 19.275 1.00 63.32 H new ATOM 0 HA LEU A 5 12.016 -5.424 16.582 1.00 72.21 H new ATOM 0 HB2 LEU A 5 12.223 -7.036 18.562 1.00 54.33 H new ATOM 0 HB3 LEU A 5 10.473 -7.100 18.619 1.00 54.33 H new ATOM 0 HG LEU A 5 10.603 -7.862 16.130 1.00 22.13 H new ATOM 0 HD11 LEU A 5 12.703 -9.052 15.518 1.00 34.10 H new ATOM 0 HD12 LEU A 5 12.964 -7.306 15.744 1.00 34.10 H new ATOM 0 HD13 LEU A 5 13.462 -8.452 17.011 1.00 34.10 H new ATOM 0 HD21 LEU A 5 10.897 -10.232 16.723 1.00 21.35 H new ATOM 0 HD22 LEU A 5 11.538 -9.747 18.311 1.00 21.35 H new ATOM 0 HD23 LEU A 5 9.855 -9.365 17.877 1.00 21.35 H new ATOM 98 N TYR A 6 8.877 -5.152 17.652 1.00 64.23 N ATOM 99 CA TYR A 6 7.491 -4.824 17.329 1.00 63.05 C ATOM 100 C TYR A 6 7.416 -3.522 16.525 1.00 62.41 C ATOM 101 O TYR A 6 6.910 -3.518 15.410 1.00 10.44 O ATOM 102 CB TYR A 6 6.669 -4.723 18.645 1.00 41.34 C ATOM 103 CG TYR A 6 5.148 -4.792 18.442 1.00 12.24 C ATOM 104 CD1 TYR A 6 4.387 -3.644 18.211 1.00 34.34 C ATOM 105 CD2 TYR A 6 4.481 -6.024 18.458 1.00 74.23 C ATOM 106 CE1 TYR A 6 3.023 -3.721 18.017 1.00 1.33 C ATOM 107 CE2 TYR A 6 3.118 -6.104 18.262 1.00 45.10 C ATOM 108 CZ TYR A 6 2.394 -4.950 18.035 1.00 41.34 C ATOM 109 OH TYR A 6 1.027 -5.023 17.849 1.00 12.20 O ATOM 0 H TYR A 6 9.041 -5.252 18.654 1.00 64.23 H new ATOM 0 HA TYR A 6 7.066 -5.613 16.708 1.00 63.05 H new ATOM 0 HB2 TYR A 6 6.972 -5.529 19.313 1.00 41.34 H new ATOM 0 HB3 TYR A 6 6.916 -3.786 19.144 1.00 41.34 H new ATOM 0 HD1 TYR A 6 4.874 -2.680 18.184 1.00 34.34 H new ATOM 0 HD2 TYR A 6 5.045 -6.929 18.627 1.00 74.23 H new ATOM 0 HE1 TYR A 6 2.448 -2.822 17.851 1.00 1.33 H new ATOM 0 HE2 TYR A 6 2.620 -7.062 18.286 1.00 45.10 H new ATOM 0 HH TYR A 6 0.741 -5.959 17.889 1.00 12.20 H new ATOM 119 N GLU A 7 7.990 -2.453 17.093 1.00 43.32 N ATOM 120 CA GLU A 7 7.901 -1.089 16.550 1.00 31.52 C ATOM 121 C GLU A 7 8.566 -0.936 15.170 1.00 31.24 C ATOM 122 O GLU A 7 8.133 -0.105 14.391 1.00 41.34 O ATOM 123 CB GLU A 7 8.540 -0.098 17.547 1.00 63.41 C ATOM 124 CG GLU A 7 7.799 0.037 18.892 1.00 55.44 C ATOM 125 CD GLU A 7 6.296 0.366 18.757 1.00 43.23 C ATOM 126 OE1 GLU A 7 5.957 1.518 18.405 1.00 60.34 O ATOM 127 OE2 GLU A 7 5.445 -0.514 19.025 1.00 11.43 O ATOM 0 H GLU A 7 8.536 -2.511 17.953 1.00 43.32 H new ATOM 0 HA GLU A 7 6.842 -0.871 16.412 1.00 31.52 H new ATOM 0 HB2 GLU A 7 9.565 -0.413 17.743 1.00 63.41 H new ATOM 0 HB3 GLU A 7 8.593 0.884 17.077 1.00 63.41 H new ATOM 0 HG2 GLU A 7 7.907 -0.894 19.448 1.00 55.44 H new ATOM 0 HG3 GLU A 7 8.279 0.818 19.482 1.00 55.44 H new ATOM 134 N GLN A 8 9.624 -1.725 14.889 1.00 44.04 N ATOM 135 CA GLN A 8 10.390 -1.609 13.627 1.00 3.44 C ATOM 136 C GLN A 8 9.529 -2.078 12.456 1.00 54.33 C ATOM 137 O GLN A 8 9.265 -1.294 11.535 1.00 25.22 O ATOM 138 CB GLN A 8 11.751 -2.368 13.654 1.00 65.53 C ATOM 139 CG GLN A 8 12.702 -1.980 14.816 1.00 55.51 C ATOM 140 CD GLN A 8 12.723 -0.480 15.163 1.00 41.31 C ATOM 141 OE1 GLN A 8 13.541 0.289 14.660 1.00 3.52 O ATOM 142 NE2 GLN A 8 11.814 -0.054 16.036 1.00 32.24 N ATOM 0 H GLN A 8 9.969 -2.450 15.518 1.00 44.04 H new ATOM 0 HA GLN A 8 10.641 -0.556 13.503 1.00 3.44 H new ATOM 0 HB2 GLN A 8 11.551 -3.438 13.712 1.00 65.53 H new ATOM 0 HB3 GLN A 8 12.266 -2.191 12.710 1.00 65.53 H new ATOM 0 HG2 GLN A 8 12.413 -2.540 15.705 1.00 55.51 H new ATOM 0 HG3 GLN A 8 13.714 -2.293 14.558 1.00 55.51 H new ATOM 0 HE21 GLN A 8 11.147 -0.712 16.439 1.00 32.24 H new ATOM 0 HE22 GLN A 8 11.785 0.930 16.302 1.00 32.24 H new ATOM 151 N ILE A 9 9.070 -3.357 12.499 1.00 63.31 N ATOM 152 CA ILE A 9 8.173 -3.872 11.444 1.00 34.51 C ATOM 153 C ILE A 9 6.830 -3.093 11.406 1.00 21.23 C ATOM 154 O ILE A 9 6.329 -2.799 10.326 1.00 23.12 O ATOM 155 CB ILE A 9 7.839 -5.400 11.570 1.00 42.02 C ATOM 156 CG1 ILE A 9 9.083 -6.252 11.931 1.00 24.13 C ATOM 157 CG2 ILE A 9 7.210 -5.913 10.239 1.00 35.34 C ATOM 158 CD1 ILE A 9 8.772 -7.725 12.089 1.00 3.31 C ATOM 0 H ILE A 9 9.301 -4.028 13.231 1.00 63.31 H new ATOM 0 HA ILE A 9 8.736 -3.724 10.523 1.00 34.51 H new ATOM 0 HB ILE A 9 7.126 -5.511 12.387 1.00 42.02 H new ATOM 0 HG12 ILE A 9 9.838 -6.128 11.155 1.00 24.13 H new ATOM 0 HG13 ILE A 9 9.515 -5.877 12.859 1.00 24.13 H new ATOM 0 HG21 ILE A 9 6.980 -6.974 10.331 1.00 35.34 H new ATOM 0 HG22 ILE A 9 6.294 -5.359 10.032 1.00 35.34 H new ATOM 0 HG23 ILE A 9 7.916 -5.764 9.422 1.00 35.34 H new ATOM 0 HD11 ILE A 9 9.685 -8.265 12.341 1.00 3.31 H new ATOM 0 HD12 ILE A 9 8.040 -7.859 12.885 1.00 3.31 H new ATOM 0 HD13 ILE A 9 8.367 -8.114 11.155 1.00 3.31 H new ATOM 170 N LEU A 10 6.257 -2.788 12.595 1.00 15.51 N ATOM 171 CA LEU A 10 4.924 -2.130 12.724 1.00 13.54 C ATOM 172 C LEU A 10 4.956 -0.679 12.184 1.00 53.24 C ATOM 173 O LEU A 10 3.970 -0.221 11.611 1.00 2.25 O ATOM 174 CB LEU A 10 4.409 -2.182 14.207 1.00 24.32 C ATOM 175 CG LEU A 10 2.845 -2.193 14.454 1.00 44.13 C ATOM 176 CD1 LEU A 10 2.151 -0.856 14.109 1.00 63.40 C ATOM 177 CD2 LEU A 10 2.167 -3.370 13.715 1.00 52.04 C ATOM 0 H LEU A 10 6.700 -2.988 13.492 1.00 15.51 H new ATOM 0 HA LEU A 10 4.217 -2.688 12.110 1.00 13.54 H new ATOM 0 HB2 LEU A 10 4.826 -3.074 14.674 1.00 24.32 H new ATOM 0 HB3 LEU A 10 4.824 -1.323 14.734 1.00 24.32 H new ATOM 0 HG LEU A 10 2.719 -2.332 15.528 1.00 44.13 H new ATOM 0 HD11 LEU A 10 1.082 -0.940 14.304 1.00 63.40 H new ATOM 0 HD12 LEU A 10 2.570 -0.059 14.724 1.00 63.40 H new ATOM 0 HD13 LEU A 10 2.311 -0.624 13.056 1.00 63.40 H new ATOM 0 HD21 LEU A 10 1.094 -3.349 13.905 1.00 52.04 H new ATOM 0 HD22 LEU A 10 2.348 -3.280 12.644 1.00 52.04 H new ATOM 0 HD23 LEU A 10 2.581 -4.312 14.074 1.00 52.04 H new ATOM 189 N ALA A 11 6.093 0.027 12.340 1.00 12.22 N ATOM 190 CA ALA A 11 6.258 1.395 11.796 1.00 72.04 C ATOM 191 C ALA A 11 6.294 1.347 10.265 1.00 42.25 C ATOM 192 O ALA A 11 5.748 2.223 9.595 1.00 52.34 O ATOM 193 CB ALA A 11 7.522 2.072 12.345 1.00 53.35 C ATOM 0 H ALA A 11 6.911 -0.324 12.837 1.00 12.22 H new ATOM 0 HA ALA A 11 5.404 1.992 12.115 1.00 72.04 H new ATOM 0 HB1 ALA A 11 7.610 3.074 11.924 1.00 53.35 H new ATOM 0 HB2 ALA A 11 7.456 2.139 13.431 1.00 53.35 H new ATOM 0 HB3 ALA A 11 8.398 1.484 12.070 1.00 53.35 H new ATOM 199 N GLU A 12 6.930 0.294 9.724 1.00 71.00 N ATOM 200 CA GLU A 12 6.980 0.053 8.276 1.00 31.41 C ATOM 201 C GLU A 12 5.581 -0.372 7.769 1.00 61.05 C ATOM 202 O GLU A 12 5.167 0.018 6.686 1.00 22.55 O ATOM 203 CB GLU A 12 8.018 -1.045 7.952 1.00 51.51 C ATOM 204 CG GLU A 12 8.404 -1.134 6.460 1.00 52.11 C ATOM 205 CD GLU A 12 9.227 0.071 5.976 1.00 50.42 C ATOM 206 OE1 GLU A 12 8.760 0.823 5.097 1.00 74.03 O ATOM 207 OE2 GLU A 12 10.350 0.275 6.489 1.00 22.41 O ATOM 0 H GLU A 12 7.421 -0.409 10.276 1.00 71.00 H new ATOM 0 HA GLU A 12 7.278 0.973 7.773 1.00 31.41 H new ATOM 0 HB2 GLU A 12 8.919 -0.861 8.538 1.00 51.51 H new ATOM 0 HB3 GLU A 12 7.621 -2.009 8.271 1.00 51.51 H new ATOM 0 HG2 GLU A 12 8.975 -2.047 6.293 1.00 52.11 H new ATOM 0 HG3 GLU A 12 7.497 -1.211 5.860 1.00 52.11 H new ATOM 214 N ASN A 13 4.875 -1.152 8.612 1.00 2.34 N ATOM 215 CA ASN A 13 3.503 -1.669 8.369 1.00 34.22 C ATOM 216 C ASN A 13 2.505 -0.490 8.315 1.00 2.40 C ATOM 217 O ASN A 13 1.548 -0.500 7.532 1.00 42.44 O ATOM 218 CB ASN A 13 3.138 -2.651 9.525 1.00 42.14 C ATOM 219 CG ASN A 13 1.805 -3.378 9.361 1.00 74.23 C ATOM 220 OD1 ASN A 13 0.741 -2.827 9.629 1.00 53.11 O ATOM 221 ND2 ASN A 13 1.851 -4.639 8.960 1.00 21.12 N ATOM 0 H ASN A 13 5.252 -1.452 9.511 1.00 2.34 H new ATOM 0 HA ASN A 13 3.455 -2.196 7.416 1.00 34.22 H new ATOM 0 HB2 ASN A 13 3.931 -3.394 9.614 1.00 42.14 H new ATOM 0 HB3 ASN A 13 3.117 -2.094 10.461 1.00 42.14 H new ATOM 0 HD21 ASN A 13 0.989 -5.176 8.867 1.00 21.12 H new ATOM 0 HD22 ASN A 13 2.748 -5.073 8.744 1.00 21.12 H new ATOM 228 N GLU A 14 2.785 0.520 9.170 1.00 33.10 N ATOM 229 CA GLU A 14 2.061 1.801 9.243 1.00 14.24 C ATOM 230 C GLU A 14 2.253 2.590 7.952 1.00 11.04 C ATOM 231 O GLU A 14 1.277 3.052 7.351 1.00 4.44 O ATOM 232 CB GLU A 14 2.551 2.631 10.481 1.00 33.50 C ATOM 233 CG GLU A 14 2.483 4.165 10.307 1.00 10.32 C ATOM 234 CD GLU A 14 2.726 4.940 11.604 1.00 71.11 C ATOM 235 OE1 GLU A 14 3.879 5.341 11.875 1.00 12.31 O ATOM 236 OE2 GLU A 14 1.764 5.143 12.378 1.00 24.10 O ATOM 0 H GLU A 14 3.545 0.460 9.847 1.00 33.10 H new ATOM 0 HA GLU A 14 0.997 1.599 9.365 1.00 14.24 H new ATOM 0 HB2 GLU A 14 1.951 2.352 11.347 1.00 33.50 H new ATOM 0 HB3 GLU A 14 3.581 2.351 10.703 1.00 33.50 H new ATOM 0 HG2 GLU A 14 3.222 4.471 9.567 1.00 10.32 H new ATOM 0 HG3 GLU A 14 1.504 4.434 9.911 1.00 10.32 H new ATOM 243 N LYS A 15 3.530 2.748 7.554 1.00 24.40 N ATOM 244 CA LYS A 15 3.908 3.477 6.341 1.00 45.42 C ATOM 245 C LYS A 15 3.184 2.867 5.129 1.00 53.35 C ATOM 246 O LYS A 15 2.551 3.582 4.356 1.00 14.45 O ATOM 247 CB LYS A 15 5.445 3.411 6.120 1.00 41.43 C ATOM 248 CG LYS A 15 5.968 4.311 4.954 1.00 70.20 C ATOM 249 CD LYS A 15 7.063 3.642 4.088 1.00 14.52 C ATOM 250 CE LYS A 15 6.513 2.471 3.243 1.00 14.13 C ATOM 251 NZ LYS A 15 7.585 1.807 2.454 1.00 64.03 N ATOM 0 H LYS A 15 4.325 2.371 8.069 1.00 24.40 H new ATOM 0 HA LYS A 15 3.618 4.522 6.455 1.00 45.42 H new ATOM 0 HB2 LYS A 15 5.946 3.705 7.043 1.00 41.43 H new ATOM 0 HB3 LYS A 15 5.727 2.377 5.920 1.00 41.43 H new ATOM 0 HG2 LYS A 15 5.129 4.584 4.314 1.00 70.20 H new ATOM 0 HG3 LYS A 15 6.364 5.236 5.372 1.00 70.20 H new ATOM 0 HD2 LYS A 15 7.505 4.387 3.427 1.00 14.52 H new ATOM 0 HD3 LYS A 15 7.861 3.276 4.735 1.00 14.52 H new ATOM 0 HE2 LYS A 15 6.039 1.741 3.899 1.00 14.13 H new ATOM 0 HE3 LYS A 15 5.741 2.841 2.568 1.00 14.13 H new ATOM 0 HZ1 LYS A 15 7.160 1.119 1.801 1.00 64.03 H new ATOM 0 HZ2 LYS A 15 8.110 2.522 1.911 1.00 64.03 H new ATOM 0 HZ3 LYS A 15 8.237 1.315 3.099 1.00 64.03 H new ATOM 265 N LEU A 16 3.248 1.518 5.057 1.00 0.13 N ATOM 266 CA LEU A 16 2.611 0.698 4.014 1.00 4.12 C ATOM 267 C LEU A 16 1.085 0.858 4.016 1.00 23.12 C ATOM 268 O LEU A 16 0.460 0.841 2.958 1.00 22.33 O ATOM 269 CB LEU A 16 3.007 -0.793 4.196 1.00 64.34 C ATOM 270 CG LEU A 16 4.492 -1.133 3.853 1.00 34.14 C ATOM 271 CD1 LEU A 16 4.862 -2.569 4.255 1.00 54.51 C ATOM 272 CD2 LEU A 16 4.773 -0.888 2.365 1.00 32.34 C ATOM 0 H LEU A 16 3.758 0.960 5.742 1.00 0.13 H new ATOM 0 HA LEU A 16 2.970 1.047 3.046 1.00 4.12 H new ATOM 0 HB2 LEU A 16 2.815 -1.080 5.230 1.00 64.34 H new ATOM 0 HB3 LEU A 16 2.357 -1.404 3.570 1.00 64.34 H new ATOM 0 HG LEU A 16 5.124 -0.465 4.439 1.00 34.14 H new ATOM 0 HD11 LEU A 16 5.904 -2.762 3.998 1.00 54.51 H new ATOM 0 HD12 LEU A 16 4.724 -2.693 5.329 1.00 54.51 H new ATOM 0 HD13 LEU A 16 4.221 -3.272 3.723 1.00 54.51 H new ATOM 0 HD21 LEU A 16 5.813 -1.131 2.146 1.00 32.34 H new ATOM 0 HD22 LEU A 16 4.119 -1.518 1.763 1.00 32.34 H new ATOM 0 HD23 LEU A 16 4.587 0.159 2.127 1.00 32.34 H new ATOM 284 N LYS A 17 0.501 1.012 5.211 1.00 10.31 N ATOM 285 CA LYS A 17 -0.948 1.216 5.378 1.00 62.45 C ATOM 286 C LYS A 17 -1.377 2.572 4.772 1.00 60.11 C ATOM 287 O LYS A 17 -2.408 2.672 4.087 1.00 33.15 O ATOM 288 CB LYS A 17 -1.339 1.118 6.887 1.00 64.24 C ATOM 289 CG LYS A 17 -2.771 0.590 7.162 1.00 23.21 C ATOM 290 CD LYS A 17 -2.988 -0.855 6.642 1.00 70.01 C ATOM 291 CE LYS A 17 -1.921 -1.848 7.149 1.00 12.21 C ATOM 292 NZ LYS A 17 -1.861 -1.923 8.628 1.00 43.24 N ATOM 0 H LYS A 17 1.017 0.999 6.091 1.00 10.31 H new ATOM 0 HA LYS A 17 -1.479 0.429 4.842 1.00 62.45 H new ATOM 0 HB2 LYS A 17 -0.625 0.466 7.390 1.00 64.24 H new ATOM 0 HB3 LYS A 17 -1.240 2.106 7.337 1.00 64.24 H new ATOM 0 HG2 LYS A 17 -2.964 0.618 8.234 1.00 23.21 H new ATOM 0 HG3 LYS A 17 -3.495 1.254 6.690 1.00 23.21 H new ATOM 0 HD2 LYS A 17 -3.974 -1.202 6.951 1.00 70.01 H new ATOM 0 HD3 LYS A 17 -2.980 -0.847 5.552 1.00 70.01 H new ATOM 0 HE2 LYS A 17 -2.134 -2.839 6.748 1.00 12.21 H new ATOM 0 HE3 LYS A 17 -0.945 -1.552 6.765 1.00 12.21 H new ATOM 0 HZ1 LYS A 17 -0.972 -2.380 8.917 1.00 43.24 H new ATOM 0 HZ2 LYS A 17 -1.902 -0.963 9.026 1.00 43.24 H new ATOM 0 HZ3 LYS A 17 -2.666 -2.479 8.980 1.00 43.24 H new ATOM 306 N ALA A 18 -0.530 3.592 4.983 1.00 23.10 N ATOM 307 CA ALA A 18 -0.814 4.973 4.571 1.00 5.33 C ATOM 308 C ALA A 18 -0.735 5.097 3.047 1.00 40.22 C ATOM 309 O ALA A 18 -1.724 5.440 2.404 1.00 13.11 O ATOM 310 CB ALA A 18 0.159 5.939 5.259 1.00 54.30 C ATOM 0 H ALA A 18 0.372 3.480 5.445 1.00 23.10 H new ATOM 0 HA ALA A 18 -1.826 5.237 4.878 1.00 5.33 H new ATOM 0 HB1 ALA A 18 -0.060 6.960 4.947 1.00 54.30 H new ATOM 0 HB2 ALA A 18 0.048 5.859 6.340 1.00 54.30 H new ATOM 0 HB3 ALA A 18 1.182 5.686 4.980 1.00 54.30 H new ATOM 316 N GLN A 19 0.441 4.746 2.491 1.00 21.02 N ATOM 317 CA GLN A 19 0.730 4.853 1.051 1.00 5.15 C ATOM 318 C GLN A 19 -0.211 3.988 0.196 1.00 1.22 C ATOM 319 O GLN A 19 -0.528 4.375 -0.929 1.00 63.44 O ATOM 320 CB GLN A 19 2.210 4.478 0.797 1.00 4.23 C ATOM 321 CG GLN A 19 2.641 3.097 1.354 1.00 52.12 C ATOM 322 CD GLN A 19 2.665 1.946 0.348 1.00 5.33 C ATOM 323 OE1 GLN A 19 3.603 1.818 -0.426 1.00 5.45 O ATOM 324 NE2 GLN A 19 1.681 1.055 0.420 1.00 62.25 N ATOM 0 H GLN A 19 1.222 4.378 3.034 1.00 21.02 H new ATOM 0 HA GLN A 19 0.556 5.885 0.748 1.00 5.15 H new ATOM 0 HB2 GLN A 19 2.394 4.493 -0.277 1.00 4.23 H new ATOM 0 HB3 GLN A 19 2.845 5.246 1.240 1.00 4.23 H new ATOM 0 HG2 GLN A 19 3.637 3.196 1.786 1.00 52.12 H new ATOM 0 HG3 GLN A 19 1.966 2.829 2.167 1.00 52.12 H new ATOM 0 HE21 GLN A 19 0.914 1.194 1.078 1.00 62.25 H new ATOM 0 HE22 GLN A 19 1.693 0.232 -0.183 1.00 62.25 H new ATOM 333 N LEU A 20 -0.642 2.813 0.727 1.00 42.44 N ATOM 334 CA LEU A 20 -1.593 1.949 0.004 1.00 51.51 C ATOM 335 C LEU A 20 -2.929 2.672 -0.112 1.00 22.14 C ATOM 336 O LEU A 20 -3.529 2.679 -1.179 1.00 64.43 O ATOM 337 CB LEU A 20 -1.760 0.537 0.663 1.00 54.34 C ATOM 338 CG LEU A 20 -2.847 0.314 1.809 1.00 4.23 C ATOM 339 CD1 LEU A 20 -4.260 0.001 1.248 1.00 2.10 C ATOM 340 CD2 LEU A 20 -2.426 -0.791 2.799 1.00 24.53 C ATOM 0 H LEU A 20 -0.349 2.454 1.636 1.00 42.44 H new ATOM 0 HA LEU A 20 -1.190 1.759 -0.991 1.00 51.51 H new ATOM 0 HB2 LEU A 20 -1.983 -0.169 -0.137 1.00 54.34 H new ATOM 0 HB3 LEU A 20 -0.791 0.256 1.076 1.00 54.34 H new ATOM 0 HG LEU A 20 -2.901 1.263 2.343 1.00 4.23 H new ATOM 0 HD11 LEU A 20 -4.956 -0.141 2.074 1.00 2.10 H new ATOM 0 HD12 LEU A 20 -4.597 0.831 0.628 1.00 2.10 H new ATOM 0 HD13 LEU A 20 -4.220 -0.908 0.647 1.00 2.10 H new ATOM 0 HD21 LEU A 20 -3.196 -0.909 3.562 1.00 24.53 H new ATOM 0 HD22 LEU A 20 -2.300 -1.731 2.263 1.00 24.53 H new ATOM 0 HD23 LEU A 20 -1.484 -0.515 3.273 1.00 24.53 H new ATOM 352 N HIS A 21 -3.370 3.291 1.017 1.00 12.31 N ATOM 353 CA HIS A 21 -4.647 4.016 1.095 1.00 0.42 C ATOM 354 C HIS A 21 -4.662 5.152 0.068 1.00 54.23 C ATOM 355 O HIS A 21 -5.654 5.332 -0.632 1.00 44.25 O ATOM 356 CB HIS A 21 -4.873 4.556 2.531 1.00 15.55 C ATOM 357 CG HIS A 21 -6.191 5.263 2.735 1.00 45.32 C ATOM 358 ND1 HIS A 21 -7.294 4.651 3.286 1.00 40.31 N ATOM 359 CD2 HIS A 21 -6.577 6.536 2.468 1.00 41.01 C ATOM 360 CE1 HIS A 21 -8.288 5.508 3.348 1.00 62.44 C ATOM 361 NE2 HIS A 21 -7.878 6.654 2.857 1.00 72.34 N ATOM 0 H HIS A 21 -2.844 3.295 1.891 1.00 12.31 H new ATOM 0 HA HIS A 21 -5.464 3.332 0.863 1.00 0.42 H new ATOM 0 HB2 HIS A 21 -4.809 3.724 3.232 1.00 15.55 H new ATOM 0 HB3 HIS A 21 -4.064 5.244 2.778 1.00 15.55 H new ATOM 0 HD2 HIS A 21 -5.967 7.312 2.029 1.00 41.01 H new ATOM 0 HE1 HIS A 21 -9.275 5.304 3.737 1.00 62.44 H new ATOM 0 HE2 HIS A 21 -8.444 7.499 2.779 1.00 72.34 H new ATOM 370 N ASP A 22 -3.532 5.877 -0.023 1.00 44.41 N ATOM 371 CA ASP A 22 -3.345 6.961 -1.001 1.00 54.30 C ATOM 372 C ASP A 22 -3.411 6.432 -2.435 1.00 73.43 C ATOM 373 O ASP A 22 -4.031 7.066 -3.291 1.00 54.24 O ATOM 374 CB ASP A 22 -2.016 7.718 -0.753 1.00 14.33 C ATOM 375 CG ASP A 22 -2.070 8.584 0.515 1.00 43.35 C ATOM 376 OD1 ASP A 22 -1.616 8.136 1.579 1.00 2.14 O ATOM 377 OD2 ASP A 22 -2.581 9.728 0.449 1.00 55.23 O ATOM 0 H ASP A 22 -2.723 5.727 0.580 1.00 44.41 H new ATOM 0 HA ASP A 22 -4.164 7.668 -0.867 1.00 54.30 H new ATOM 0 HB2 ASP A 22 -1.201 6.999 -0.666 1.00 14.33 H new ATOM 0 HB3 ASP A 22 -1.793 8.349 -1.613 1.00 14.33 H new ATOM 382 N THR A 23 -2.794 5.249 -2.677 1.00 32.21 N ATOM 383 CA THR A 23 -2.803 4.606 -4.002 1.00 31.54 C ATOM 384 C THR A 23 -4.214 4.077 -4.349 1.00 52.31 C ATOM 385 O THR A 23 -4.575 4.029 -5.517 1.00 51.24 O ATOM 386 CB THR A 23 -1.738 3.460 -4.129 1.00 54.41 C ATOM 387 OG1 THR A 23 -0.447 3.960 -3.749 1.00 32.13 O ATOM 388 CG2 THR A 23 -1.649 2.908 -5.573 1.00 52.43 C ATOM 0 H THR A 23 -2.284 4.725 -1.966 1.00 32.21 H new ATOM 0 HA THR A 23 -2.527 5.376 -4.722 1.00 31.54 H new ATOM 0 HB THR A 23 -2.050 2.650 -3.470 1.00 54.41 H new ATOM 0 HG1 THR A 23 -0.435 4.135 -2.785 1.00 32.13 H new ATOM 0 HG21 THR A 23 -0.900 2.117 -5.615 1.00 52.43 H new ATOM 0 HG22 THR A 23 -2.618 2.506 -5.869 1.00 52.43 H new ATOM 0 HG23 THR A 23 -1.366 3.712 -6.253 1.00 52.43 H new ATOM 396 N ASN A 24 -5.008 3.714 -3.317 1.00 42.32 N ATOM 397 CA ASN A 24 -6.395 3.232 -3.491 1.00 12.13 C ATOM 398 C ASN A 24 -7.300 4.392 -3.941 1.00 71.44 C ATOM 399 O ASN A 24 -7.999 4.277 -4.944 1.00 62.33 O ATOM 400 CB ASN A 24 -6.943 2.587 -2.174 1.00 1.32 C ATOM 401 CG ASN A 24 -6.427 1.173 -1.860 1.00 53.21 C ATOM 402 OD1 ASN A 24 -5.197 0.848 -2.231 1.00 15.13 O flip ATOM 403 ND2 ASN A 24 -7.143 0.370 -1.252 1.00 32.02 N flip ATOM 0 H ASN A 24 -4.706 3.747 -2.343 1.00 42.32 H new ATOM 0 HA ASN A 24 -6.395 2.460 -4.261 1.00 12.13 H new ATOM 0 HB2 ASN A 24 -6.690 3.240 -1.339 1.00 1.32 H new ATOM 0 HB3 ASN A 24 -8.031 2.552 -2.233 1.00 1.32 H new ATOM 0 HD21 ASN A 24 -8.087 0.637 -0.974 1.00 32.02 H new ATOM 0 HD22 ASN A 24 -6.790 -0.560 -1.028 1.00 32.02 H new ATOM 410 N MET A 25 -7.262 5.507 -3.182 1.00 13.11 N ATOM 411 CA MET A 25 -8.053 6.717 -3.475 1.00 63.23 C ATOM 412 C MET A 25 -7.669 7.359 -4.821 1.00 73.44 C ATOM 413 O MET A 25 -8.555 7.823 -5.548 1.00 43.30 O ATOM 414 CB MET A 25 -7.912 7.754 -2.329 1.00 21.42 C ATOM 415 CG MET A 25 -8.192 7.178 -0.937 1.00 64.43 C ATOM 416 SD MET A 25 -8.538 8.432 0.315 1.00 63.00 S ATOM 417 CE MET A 25 -10.096 9.106 -0.260 1.00 13.30 C ATOM 0 H MET A 25 -6.681 5.592 -2.348 1.00 13.11 H new ATOM 0 HA MET A 25 -9.094 6.403 -3.550 1.00 63.23 H new ATOM 0 HB2 MET A 25 -6.903 8.165 -2.346 1.00 21.42 H new ATOM 0 HB3 MET A 25 -8.597 8.582 -2.514 1.00 21.42 H new ATOM 0 HG2 MET A 25 -9.041 6.497 -1.000 1.00 64.43 H new ATOM 0 HG3 MET A 25 -7.333 6.588 -0.619 1.00 64.43 H new ATOM 0 HE1 MET A 25 -10.615 9.583 0.571 1.00 13.30 H new ATOM 0 HE2 MET A 25 -9.908 9.843 -1.040 1.00 13.30 H new ATOM 0 HE3 MET A 25 -10.714 8.303 -0.661 1.00 13.30 H new ATOM 427 N GLU A 26 -6.356 7.385 -5.148 1.00 35.41 N ATOM 428 CA GLU A 26 -5.875 7.986 -6.411 1.00 74.50 C ATOM 429 C GLU A 26 -6.113 7.024 -7.586 1.00 3.50 C ATOM 430 O GLU A 26 -6.185 7.469 -8.720 1.00 22.43 O ATOM 431 CB GLU A 26 -4.379 8.400 -6.332 1.00 1.30 C ATOM 432 CG GLU A 26 -3.365 7.245 -6.481 1.00 5.34 C ATOM 433 CD GLU A 26 -1.893 7.675 -6.374 1.00 33.05 C ATOM 434 OE1 GLU A 26 -1.101 7.002 -5.678 1.00 1.23 O ATOM 435 OE2 GLU A 26 -1.514 8.691 -6.998 1.00 14.23 O ATOM 0 H GLU A 26 -5.617 7.000 -4.559 1.00 35.41 H new ATOM 0 HA GLU A 26 -6.449 8.897 -6.578 1.00 74.50 H new ATOM 0 HB2 GLU A 26 -4.182 9.137 -7.110 1.00 1.30 H new ATOM 0 HB3 GLU A 26 -4.206 8.892 -5.375 1.00 1.30 H new ATOM 0 HG2 GLU A 26 -3.569 6.497 -5.715 1.00 5.34 H new ATOM 0 HG3 GLU A 26 -3.521 6.763 -7.446 1.00 5.34 H new ATOM 442 N LEU A 27 -6.207 5.705 -7.308 1.00 44.43 N ATOM 443 CA LEU A 27 -6.606 4.710 -8.320 1.00 22.41 C ATOM 444 C LEU A 27 -8.092 4.876 -8.639 1.00 33.13 C ATOM 445 O LEU A 27 -8.481 4.792 -9.792 1.00 22.50 O ATOM 446 CB LEU A 27 -6.317 3.267 -7.836 1.00 63.13 C ATOM 447 CG LEU A 27 -6.815 2.099 -8.746 1.00 44.13 C ATOM 448 CD1 LEU A 27 -6.255 2.209 -10.182 1.00 52.40 C ATOM 449 CD2 LEU A 27 -6.486 0.738 -8.113 1.00 52.35 C ATOM 0 H LEU A 27 -6.011 5.307 -6.389 1.00 44.43 H new ATOM 0 HA LEU A 27 -6.018 4.879 -9.222 1.00 22.41 H new ATOM 0 HB2 LEU A 27 -5.239 3.162 -7.710 1.00 63.13 H new ATOM 0 HB3 LEU A 27 -6.767 3.144 -6.851 1.00 63.13 H new ATOM 0 HG LEU A 27 -7.899 2.180 -8.825 1.00 44.13 H new ATOM 0 HD11 LEU A 27 -6.626 1.378 -10.782 1.00 52.40 H new ATOM 0 HD12 LEU A 27 -6.578 3.150 -10.627 1.00 52.40 H new ATOM 0 HD13 LEU A 27 -5.166 2.177 -10.151 1.00 52.40 H new ATOM 0 HD21 LEU A 27 -6.842 -0.061 -8.763 1.00 52.35 H new ATOM 0 HD22 LEU A 27 -5.407 0.648 -7.984 1.00 52.35 H new ATOM 0 HD23 LEU A 27 -6.975 0.660 -7.142 1.00 52.35 H new ATOM 461 N THR A 28 -8.907 5.118 -7.596 1.00 14.11 N ATOM 462 CA THR A 28 -10.351 5.360 -7.735 1.00 61.14 C ATOM 463 C THR A 28 -10.599 6.703 -8.465 1.00 53.30 C ATOM 464 O THR A 28 -11.555 6.824 -9.237 1.00 20.05 O ATOM 465 CB THR A 28 -11.063 5.331 -6.335 1.00 43.15 C ATOM 466 OG1 THR A 28 -10.800 4.067 -5.695 1.00 42.40 O ATOM 467 CG2 THR A 28 -12.591 5.536 -6.436 1.00 32.54 C ATOM 0 H THR A 28 -8.579 5.151 -6.631 1.00 14.11 H new ATOM 0 HA THR A 28 -10.782 4.560 -8.337 1.00 61.14 H new ATOM 0 HB THR A 28 -10.660 6.159 -5.751 1.00 43.15 H new ATOM 0 HG1 THR A 28 -9.861 4.031 -5.416 1.00 42.40 H new ATOM 0 HG21 THR A 28 -13.029 5.506 -5.438 1.00 32.54 H new ATOM 0 HG22 THR A 28 -12.799 6.503 -6.895 1.00 32.54 H new ATOM 0 HG23 THR A 28 -13.025 4.744 -7.046 1.00 32.54 H new ATOM 475 N ASP A 29 -9.697 7.690 -8.231 1.00 31.33 N ATOM 476 CA ASP A 29 -9.673 8.964 -8.978 1.00 41.42 C ATOM 477 C ASP A 29 -9.394 8.672 -10.453 1.00 51.51 C ATOM 478 O ASP A 29 -10.260 8.913 -11.293 1.00 75.14 O ATOM 479 CB ASP A 29 -8.589 9.938 -8.414 1.00 53.25 C ATOM 480 CG ASP A 29 -8.428 11.234 -9.262 1.00 41.10 C ATOM 481 OD1 ASP A 29 -7.430 11.368 -10.022 1.00 52.44 O ATOM 482 OD2 ASP A 29 -9.305 12.120 -9.160 1.00 64.31 O ATOM 0 H ASP A 29 -8.969 7.621 -7.520 1.00 31.33 H new ATOM 0 HA ASP A 29 -10.643 9.449 -8.868 1.00 41.42 H new ATOM 0 HB2 ASP A 29 -8.851 10.211 -7.392 1.00 53.25 H new ATOM 0 HB3 ASP A 29 -7.631 9.419 -8.370 1.00 53.25 H new ATOM 487 N LEU A 30 -8.204 8.060 -10.711 1.00 22.14 N ATOM 488 CA LEU A 30 -7.687 7.753 -12.060 1.00 72.25 C ATOM 489 C LEU A 30 -8.710 6.979 -12.886 1.00 70.10 C ATOM 490 O LEU A 30 -8.934 7.318 -14.027 1.00 20.13 O ATOM 491 CB LEU A 30 -6.327 6.968 -11.973 1.00 23.31 C ATOM 492 CG LEU A 30 -5.012 7.816 -12.147 1.00 54.35 C ATOM 493 CD1 LEU A 30 -4.801 8.267 -13.617 1.00 22.51 C ATOM 494 CD2 LEU A 30 -4.982 9.030 -11.185 1.00 74.41 C ATOM 0 H LEU A 30 -7.572 7.764 -9.968 1.00 22.14 H new ATOM 0 HA LEU A 30 -7.502 8.700 -12.567 1.00 72.25 H new ATOM 0 HB2 LEU A 30 -6.284 6.467 -11.006 1.00 23.31 H new ATOM 0 HB3 LEU A 30 -6.334 6.189 -12.736 1.00 23.31 H new ATOM 0 HG LEU A 30 -4.181 7.162 -11.883 1.00 54.35 H new ATOM 0 HD11 LEU A 30 -3.882 8.849 -13.691 1.00 22.51 H new ATOM 0 HD12 LEU A 30 -4.727 7.390 -14.260 1.00 22.51 H new ATOM 0 HD13 LEU A 30 -5.645 8.879 -13.934 1.00 22.51 H new ATOM 0 HD21 LEU A 30 -4.059 9.590 -11.335 1.00 74.41 H new ATOM 0 HD22 LEU A 30 -5.836 9.676 -11.388 1.00 74.41 H new ATOM 0 HD23 LEU A 30 -5.030 8.679 -10.154 1.00 74.41 H new ATOM 506 N LYS A 31 -9.345 5.981 -12.259 1.00 71.05 N ATOM 507 CA LYS A 31 -10.346 5.088 -12.877 1.00 1.54 C ATOM 508 C LYS A 31 -11.583 5.898 -13.314 1.00 63.30 C ATOM 509 O LYS A 31 -11.985 5.844 -14.496 1.00 64.55 O ATOM 510 CB LYS A 31 -10.661 3.897 -11.872 1.00 41.35 C ATOM 511 CG LYS A 31 -12.133 3.664 -11.424 1.00 1.11 C ATOM 512 CD LYS A 31 -12.978 2.891 -12.463 1.00 54.43 C ATOM 513 CE LYS A 31 -14.435 2.711 -12.016 1.00 74.50 C ATOM 514 NZ LYS A 31 -15.229 1.957 -13.017 1.00 63.31 N ATOM 0 H LYS A 31 -9.175 5.762 -11.277 1.00 71.05 H new ATOM 0 HA LYS A 31 -9.962 4.634 -13.791 1.00 1.54 H new ATOM 0 HB2 LYS A 31 -10.306 2.975 -12.332 1.00 41.35 H new ATOM 0 HB3 LYS A 31 -10.064 4.056 -10.974 1.00 41.35 H new ATOM 0 HG2 LYS A 31 -12.135 3.114 -10.483 1.00 1.11 H new ATOM 0 HG3 LYS A 31 -12.603 4.628 -11.230 1.00 1.11 H new ATOM 0 HD2 LYS A 31 -12.956 3.424 -13.414 1.00 54.43 H new ATOM 0 HD3 LYS A 31 -12.530 1.912 -12.635 1.00 54.43 H new ATOM 0 HE2 LYS A 31 -14.460 2.185 -11.061 1.00 74.50 H new ATOM 0 HE3 LYS A 31 -14.889 3.689 -11.854 1.00 74.50 H new ATOM 0 HZ1 LYS A 31 -16.207 1.856 -12.679 1.00 63.31 H new ATOM 0 HZ2 LYS A 31 -15.226 2.471 -13.921 1.00 63.31 H new ATOM 0 HZ3 LYS A 31 -14.811 1.015 -13.153 1.00 63.31 H new ATOM 528 N LEU A 32 -12.112 6.691 -12.357 1.00 15.24 N ATOM 529 CA LEU A 32 -13.333 7.493 -12.518 1.00 14.01 C ATOM 530 C LEU A 32 -13.196 8.432 -13.720 1.00 1.04 C ATOM 531 O LEU A 32 -13.872 8.247 -14.733 1.00 25.13 O ATOM 532 CB LEU A 32 -13.585 8.286 -11.200 1.00 15.24 C ATOM 533 CG LEU A 32 -14.807 9.260 -11.165 1.00 34.22 C ATOM 534 CD1 LEU A 32 -16.134 8.510 -11.382 1.00 11.20 C ATOM 535 CD2 LEU A 32 -14.832 10.080 -9.854 1.00 53.41 C ATOM 0 H LEU A 32 -11.689 6.790 -11.434 1.00 15.24 H new ATOM 0 HA LEU A 32 -14.187 6.844 -12.710 1.00 14.01 H new ATOM 0 HB2 LEU A 32 -13.707 7.565 -10.392 1.00 15.24 H new ATOM 0 HB3 LEU A 32 -12.688 8.864 -10.979 1.00 15.24 H new ATOM 0 HG LEU A 32 -14.691 9.961 -11.992 1.00 34.22 H new ATOM 0 HD11 LEU A 32 -16.962 9.219 -11.351 1.00 11.20 H new ATOM 0 HD12 LEU A 32 -16.117 8.014 -12.352 1.00 11.20 H new ATOM 0 HD13 LEU A 32 -16.264 7.766 -10.596 1.00 11.20 H new ATOM 0 HD21 LEU A 32 -15.693 10.748 -9.859 1.00 53.41 H new ATOM 0 HD22 LEU A 32 -14.903 9.403 -9.003 1.00 53.41 H new ATOM 0 HD23 LEU A 32 -13.917 10.668 -9.775 1.00 53.41 H new ATOM 547 N GLN A 33 -12.247 9.370 -13.616 1.00 4.13 N ATOM 548 CA GLN A 33 -11.993 10.390 -14.638 1.00 4.23 C ATOM 549 C GLN A 33 -11.599 9.776 -15.999 1.00 73.20 C ATOM 550 O GLN A 33 -12.031 10.284 -17.048 1.00 55.32 O ATOM 551 CB GLN A 33 -10.885 11.369 -14.149 1.00 12.20 C ATOM 552 CG GLN A 33 -9.582 10.671 -13.663 1.00 51.42 C ATOM 553 CD GLN A 33 -8.280 11.340 -14.070 1.00 32.32 C ATOM 554 OE1 GLN A 33 -7.233 10.538 -14.153 1.00 32.31 O flip ATOM 555 NE2 GLN A 33 -8.208 12.549 -14.275 1.00 32.10 N flip ATOM 0 H GLN A 33 -11.627 9.442 -12.809 1.00 4.13 H new ATOM 0 HA GLN A 33 -12.924 10.935 -14.790 1.00 4.23 H new ATOM 0 HB2 GLN A 33 -10.636 12.052 -14.961 1.00 12.20 H new ATOM 0 HB3 GLN A 33 -11.285 11.974 -13.335 1.00 12.20 H new ATOM 0 HG2 GLN A 33 -9.611 10.607 -12.575 1.00 51.42 H new ATOM 0 HG3 GLN A 33 -9.577 9.649 -14.042 1.00 51.42 H new ATOM 0 HE21 GLN A 33 -9.043 13.130 -14.200 1.00 32.10 H new ATOM 0 HE22 GLN A 33 -7.313 12.972 -14.521 1.00 32.10 H new ATOM 564 N LEU A 34 -10.778 8.692 -15.969 1.00 1.21 N ATOM 565 CA LEU A 34 -10.233 8.056 -17.195 1.00 72.01 C ATOM 566 C LEU A 34 -11.348 7.728 -18.156 1.00 12.21 C ATOM 567 O LEU A 34 -11.375 8.305 -19.263 1.00 21.12 O ATOM 568 CB LEU A 34 -9.391 6.783 -16.850 1.00 74.43 C ATOM 569 CG LEU A 34 -8.740 5.934 -18.020 1.00 41.44 C ATOM 570 CD1 LEU A 34 -9.646 4.768 -18.499 1.00 51.24 C ATOM 571 CD2 LEU A 34 -8.290 6.822 -19.204 1.00 43.42 C ATOM 0 H LEU A 34 -10.479 8.241 -15.104 1.00 1.21 H new ATOM 0 HA LEU A 34 -9.562 8.767 -17.678 1.00 72.01 H new ATOM 0 HB2 LEU A 34 -8.585 7.095 -16.186 1.00 74.43 H new ATOM 0 HB3 LEU A 34 -10.033 6.112 -16.279 1.00 74.43 H new ATOM 0 HG LEU A 34 -7.846 5.479 -17.593 1.00 41.44 H new ATOM 0 HD11 LEU A 34 -9.146 4.224 -19.300 1.00 51.24 H new ATOM 0 HD12 LEU A 34 -9.839 4.091 -17.667 1.00 51.24 H new ATOM 0 HD13 LEU A 34 -10.591 5.169 -18.867 1.00 51.24 H new ATOM 0 HD21 LEU A 34 -7.850 6.197 -19.981 1.00 43.42 H new ATOM 0 HD22 LEU A 34 -9.152 7.352 -19.609 1.00 43.42 H new ATOM 0 HD23 LEU A 34 -7.550 7.544 -18.857 1.00 43.42 H new ATOM 774 N PHE B 102 7.978 -13.935 21.551 1.00 22.23 N ATOM 775 CA PHE B 102 8.119 -12.695 20.757 1.00 63.33 C ATOM 776 C PHE B 102 8.483 -13.030 19.305 1.00 64.13 C ATOM 777 O PHE B 102 8.334 -12.195 18.399 1.00 63.33 O ATOM 778 CB PHE B 102 9.223 -11.805 21.356 1.00 51.01 C ATOM 779 CG PHE B 102 8.995 -11.350 22.798 1.00 3.44 C ATOM 780 CD1 PHE B 102 9.493 -12.083 23.880 1.00 63.22 C ATOM 781 CD2 PHE B 102 8.323 -10.161 23.066 1.00 13.41 C ATOM 782 CE1 PHE B 102 9.319 -11.639 25.175 1.00 12.24 C ATOM 783 CE2 PHE B 102 8.147 -9.722 24.361 1.00 73.03 C ATOM 784 CZ PHE B 102 8.648 -10.456 25.414 1.00 35.44 C ATOM 0 HA PHE B 102 7.167 -12.165 20.780 1.00 63.33 H new ATOM 0 HB2 PHE B 102 10.167 -12.348 21.310 1.00 51.01 H new ATOM 0 HB3 PHE B 102 9.333 -10.921 20.728 1.00 51.01 H new ATOM 0 HD1 PHE B 102 10.020 -13.008 23.700 1.00 63.22 H new ATOM 0 HD2 PHE B 102 7.934 -9.574 22.248 1.00 13.41 H new ATOM 0 HE1 PHE B 102 9.707 -12.216 26.001 1.00 12.24 H new ATOM 0 HE2 PHE B 102 7.615 -8.801 24.550 1.00 73.03 H new ATOM 0 HZ PHE B 102 8.516 -10.106 26.427 1.00 35.44 H new ATOM 794 N LYS B 103 8.969 -14.272 19.090 1.00 21.21 N ATOM 795 CA LYS B 103 9.332 -14.780 17.752 1.00 2.01 C ATOM 796 C LYS B 103 8.113 -14.706 16.811 1.00 21.11 C ATOM 797 O LYS B 103 8.240 -14.436 15.612 1.00 12.32 O ATOM 798 CB LYS B 103 9.909 -16.236 17.860 1.00 53.13 C ATOM 799 CG LYS B 103 8.913 -17.429 18.090 1.00 51.25 C ATOM 800 CD LYS B 103 7.832 -17.213 19.197 1.00 2.34 C ATOM 801 CE LYS B 103 7.263 -18.517 19.768 1.00 35.42 C ATOM 802 NZ LYS B 103 8.275 -19.285 20.539 1.00 74.32 N ATOM 0 H LYS B 103 9.120 -14.948 19.839 1.00 21.21 H new ATOM 0 HA LYS B 103 10.115 -14.153 17.325 1.00 2.01 H new ATOM 0 HB2 LYS B 103 10.463 -16.440 16.944 1.00 53.13 H new ATOM 0 HB3 LYS B 103 10.630 -16.246 18.677 1.00 53.13 H new ATOM 0 HG2 LYS B 103 8.404 -17.639 17.149 1.00 51.25 H new ATOM 0 HG3 LYS B 103 9.492 -18.317 18.344 1.00 51.25 H new ATOM 0 HD2 LYS B 103 8.268 -16.631 20.009 1.00 2.34 H new ATOM 0 HD3 LYS B 103 7.015 -16.621 18.784 1.00 2.34 H new ATOM 0 HE2 LYS B 103 6.415 -18.289 20.413 1.00 35.42 H new ATOM 0 HE3 LYS B 103 6.886 -19.134 18.952 1.00 35.42 H new ATOM 0 HZ1 LYS B 103 7.798 -20.012 21.110 1.00 74.32 H new ATOM 0 HZ2 LYS B 103 8.939 -19.742 19.882 1.00 74.32 H new ATOM 0 HZ3 LYS B 103 8.797 -18.640 21.166 1.00 74.32 H new ATOM 816 N LYS B 104 6.928 -14.877 17.430 1.00 42.01 N ATOM 817 CA LYS B 104 5.649 -14.893 16.752 1.00 14.35 C ATOM 818 C LYS B 104 5.246 -13.472 16.354 1.00 43.21 C ATOM 819 O LYS B 104 4.701 -13.303 15.283 1.00 22.35 O ATOM 820 CB LYS B 104 4.582 -15.588 17.649 1.00 13.11 C ATOM 821 CG LYS B 104 4.269 -14.894 19.010 1.00 61.33 C ATOM 822 CD LYS B 104 3.092 -13.881 18.956 1.00 22.41 C ATOM 823 CE LYS B 104 1.743 -14.548 18.632 1.00 51.11 C ATOM 824 NZ LYS B 104 1.347 -15.533 19.675 1.00 61.53 N ATOM 0 H LYS B 104 6.849 -15.009 18.438 1.00 42.01 H new ATOM 0 HA LYS B 104 5.725 -15.472 15.832 1.00 14.35 H new ATOM 0 HB2 LYS B 104 3.654 -15.664 17.082 1.00 13.11 H new ATOM 0 HB3 LYS B 104 4.915 -16.606 17.852 1.00 13.11 H new ATOM 0 HG2 LYS B 104 4.040 -15.660 19.751 1.00 61.33 H new ATOM 0 HG3 LYS B 104 5.164 -14.375 19.354 1.00 61.33 H new ATOM 0 HD2 LYS B 104 3.017 -13.367 19.914 1.00 22.41 H new ATOM 0 HD3 LYS B 104 3.306 -13.122 18.204 1.00 22.41 H new ATOM 0 HE2 LYS B 104 0.972 -13.783 18.543 1.00 51.11 H new ATOM 0 HE3 LYS B 104 1.808 -15.048 17.666 1.00 51.11 H new ATOM 0 HZ1 LYS B 104 0.371 -15.847 19.503 1.00 61.53 H new ATOM 0 HZ2 LYS B 104 1.986 -16.353 19.639 1.00 61.53 H new ATOM 0 HZ3 LYS B 104 1.408 -15.088 20.613 1.00 61.53 H new ATOM 838 N LEU B 105 5.553 -12.443 17.212 1.00 52.12 N ATOM 839 CA LEU B 105 5.198 -11.036 16.908 1.00 32.41 C ATOM 840 C LEU B 105 5.920 -10.626 15.620 1.00 34.31 C ATOM 841 O LEU B 105 5.343 -9.956 14.756 1.00 65.14 O ATOM 842 CB LEU B 105 5.499 -10.046 18.119 1.00 12.31 C ATOM 843 CG LEU B 105 6.959 -9.417 18.302 1.00 74.42 C ATOM 844 CD1 LEU B 105 7.285 -8.283 17.306 1.00 42.14 C ATOM 845 CD2 LEU B 105 7.190 -8.905 19.739 1.00 51.32 C ATOM 0 H LEU B 105 6.037 -12.571 18.101 1.00 52.12 H new ATOM 0 HA LEU B 105 4.121 -10.964 16.759 1.00 32.41 H new ATOM 0 HB2 LEU B 105 4.797 -9.216 18.039 1.00 12.31 H new ATOM 0 HB3 LEU B 105 5.259 -10.579 19.039 1.00 12.31 H new ATOM 0 HG LEU B 105 7.637 -10.244 18.091 1.00 74.42 H new ATOM 0 HD11 LEU B 105 8.292 -7.910 17.496 1.00 42.14 H new ATOM 0 HD12 LEU B 105 7.226 -8.666 16.287 1.00 42.14 H new ATOM 0 HD13 LEU B 105 6.568 -7.472 17.431 1.00 42.14 H new ATOM 0 HD21 LEU B 105 8.193 -8.486 19.819 1.00 51.32 H new ATOM 0 HD22 LEU B 105 6.455 -8.135 19.973 1.00 51.32 H new ATOM 0 HD23 LEU B 105 7.085 -9.732 20.441 1.00 51.32 H new ATOM 857 N TYR B 106 7.211 -11.072 15.519 1.00 62.43 N ATOM 858 CA TYR B 106 8.040 -10.886 14.326 1.00 44.42 C ATOM 859 C TYR B 106 7.323 -11.495 13.106 1.00 25.54 C ATOM 860 O TYR B 106 7.107 -10.806 12.121 1.00 62.14 O ATOM 861 CB TYR B 106 9.446 -11.533 14.519 1.00 42.12 C ATOM 862 CG TYR B 106 10.468 -11.095 13.463 1.00 44.40 C ATOM 863 CD1 TYR B 106 11.032 -9.823 13.525 1.00 13.20 C ATOM 864 CD2 TYR B 106 10.852 -11.921 12.398 1.00 64.22 C ATOM 865 CE1 TYR B 106 11.926 -9.373 12.578 1.00 73.14 C ATOM 866 CE2 TYR B 106 11.756 -11.479 11.444 1.00 3.24 C ATOM 867 CZ TYR B 106 12.291 -10.203 11.541 1.00 11.40 C ATOM 868 OH TYR B 106 13.183 -9.756 10.588 1.00 32.21 O ATOM 0 H TYR B 106 7.688 -11.568 16.272 1.00 62.43 H new ATOM 0 HA TYR B 106 8.188 -9.819 14.159 1.00 44.42 H new ATOM 0 HB2 TYR B 106 9.824 -11.275 15.508 1.00 42.12 H new ATOM 0 HB3 TYR B 106 9.346 -12.618 14.489 1.00 42.12 H new ATOM 0 HD1 TYR B 106 10.760 -9.169 14.341 1.00 13.20 H new ATOM 0 HD2 TYR B 106 10.438 -12.915 12.319 1.00 64.22 H new ATOM 0 HE1 TYR B 106 12.337 -8.377 12.648 1.00 73.14 H new ATOM 0 HE2 TYR B 106 12.043 -12.126 10.628 1.00 3.24 H new ATOM 0 HH TYR B 106 13.336 -10.462 9.926 1.00 32.21 H new ATOM 878 N GLU B 107 6.888 -12.763 13.251 1.00 42.01 N ATOM 879 CA GLU B 107 6.231 -13.541 12.181 1.00 64.35 C ATOM 880 C GLU B 107 4.888 -12.928 11.728 1.00 52.31 C ATOM 881 O GLU B 107 4.608 -12.920 10.533 1.00 33.14 O ATOM 882 CB GLU B 107 6.020 -14.999 12.659 1.00 63.34 C ATOM 883 CG GLU B 107 7.325 -15.794 12.861 1.00 71.21 C ATOM 884 CD GLU B 107 7.079 -17.193 13.437 1.00 13.31 C ATOM 885 OE1 GLU B 107 6.791 -18.129 12.655 1.00 34.44 O ATOM 886 OE2 GLU B 107 7.137 -17.361 14.674 1.00 53.51 O ATOM 0 H GLU B 107 6.984 -13.281 14.124 1.00 42.01 H new ATOM 0 HA GLU B 107 6.890 -13.520 11.313 1.00 64.35 H new ATOM 0 HB2 GLU B 107 5.468 -14.985 13.598 1.00 63.34 H new ATOM 0 HB3 GLU B 107 5.399 -15.521 11.932 1.00 63.34 H new ATOM 0 HG2 GLU B 107 7.843 -15.884 11.906 1.00 71.21 H new ATOM 0 HG3 GLU B 107 7.984 -15.240 13.530 1.00 71.21 H new ATOM 893 N GLN B 108 4.075 -12.417 12.687 1.00 2.44 N ATOM 894 CA GLN B 108 2.711 -11.901 12.392 1.00 31.15 C ATOM 895 C GLN B 108 2.790 -10.620 11.562 1.00 4.43 C ATOM 896 O GLN B 108 2.219 -10.544 10.465 1.00 72.12 O ATOM 897 CB GLN B 108 1.863 -11.637 13.683 1.00 32.41 C ATOM 898 CG GLN B 108 1.744 -12.823 14.669 1.00 25.11 C ATOM 899 CD GLN B 108 1.513 -14.180 14.001 1.00 22.22 C ATOM 900 OE1 GLN B 108 0.378 -14.610 13.786 1.00 31.51 O ATOM 901 NE2 GLN B 108 2.598 -14.864 13.675 1.00 13.53 N ATOM 0 H GLN B 108 4.339 -12.351 13.670 1.00 2.44 H new ATOM 0 HA GLN B 108 2.205 -12.682 11.825 1.00 31.15 H new ATOM 0 HB2 GLN B 108 2.299 -10.791 14.214 1.00 32.41 H new ATOM 0 HB3 GLN B 108 0.859 -11.340 13.380 1.00 32.41 H new ATOM 0 HG2 GLN B 108 2.654 -12.876 15.266 1.00 25.11 H new ATOM 0 HG3 GLN B 108 0.922 -12.626 15.358 1.00 25.11 H new ATOM 0 HE21 GLN B 108 3.522 -14.477 13.868 1.00 13.53 H new ATOM 0 HE22 GLN B 108 2.510 -15.778 13.231 1.00 13.53 H new ATOM 910 N ILE B 109 3.510 -9.614 12.106 1.00 13.10 N ATOM 911 CA ILE B 109 3.612 -8.289 11.481 1.00 23.22 C ATOM 912 C ILE B 109 4.395 -8.367 10.149 1.00 31.55 C ATOM 913 O ILE B 109 4.041 -7.678 9.202 1.00 72.50 O ATOM 914 CB ILE B 109 4.290 -7.216 12.414 1.00 3.01 C ATOM 915 CG1 ILE B 109 3.746 -7.272 13.875 1.00 62.11 C ATOM 916 CG2 ILE B 109 4.091 -5.793 11.824 1.00 63.32 C ATOM 917 CD1 ILE B 109 4.500 -6.382 14.849 1.00 2.42 C ATOM 0 H ILE B 109 4.029 -9.701 12.980 1.00 13.10 H new ATOM 0 HA ILE B 109 2.587 -7.968 11.296 1.00 23.22 H new ATOM 0 HB ILE B 109 5.354 -7.449 12.456 1.00 3.01 H new ATOM 0 HG12 ILE B 109 2.695 -6.982 13.872 1.00 62.11 H new ATOM 0 HG13 ILE B 109 3.791 -8.302 14.230 1.00 62.11 H new ATOM 0 HG21 ILE B 109 4.564 -5.059 12.477 1.00 63.32 H new ATOM 0 HG22 ILE B 109 4.544 -5.743 10.834 1.00 63.32 H new ATOM 0 HG23 ILE B 109 3.025 -5.577 11.747 1.00 63.32 H new ATOM 0 HD11 ILE B 109 4.062 -6.477 15.843 1.00 2.42 H new ATOM 0 HD12 ILE B 109 5.546 -6.685 14.884 1.00 2.42 H new ATOM 0 HD13 ILE B 109 4.433 -5.345 14.521 1.00 2.42 H new ATOM 929 N LEU B 110 5.460 -9.206 10.100 1.00 41.11 N ATOM 930 CA LEU B 110 6.322 -9.373 8.893 1.00 5.12 C ATOM 931 C LEU B 110 5.545 -10.084 7.769 1.00 61.12 C ATOM 932 O LEU B 110 5.707 -9.732 6.598 1.00 45.52 O ATOM 933 CB LEU B 110 7.647 -10.136 9.250 1.00 64.41 C ATOM 934 CG LEU B 110 8.898 -9.982 8.296 1.00 40.33 C ATOM 935 CD1 LEU B 110 8.757 -10.764 6.968 1.00 21.12 C ATOM 936 CD2 LEU B 110 9.219 -8.486 8.038 1.00 15.32 C ATOM 0 H LEU B 110 5.748 -9.785 10.889 1.00 41.11 H new ATOM 0 HA LEU B 110 6.604 -8.384 8.531 1.00 5.12 H new ATOM 0 HB2 LEU B 110 7.952 -9.818 10.247 1.00 64.41 H new ATOM 0 HB3 LEU B 110 7.409 -11.198 9.313 1.00 64.41 H new ATOM 0 HG LEU B 110 9.740 -10.433 8.821 1.00 40.33 H new ATOM 0 HD11 LEU B 110 9.650 -10.615 6.361 1.00 21.12 H new ATOM 0 HD12 LEU B 110 8.637 -11.826 7.182 1.00 21.12 H new ATOM 0 HD13 LEU B 110 7.884 -10.403 6.424 1.00 21.12 H new ATOM 0 HD21 LEU B 110 10.084 -8.408 7.379 1.00 15.32 H new ATOM 0 HD22 LEU B 110 8.361 -8.005 7.569 1.00 15.32 H new ATOM 0 HD23 LEU B 110 9.439 -7.992 8.985 1.00 15.32 H new ATOM 948 N ALA B 111 4.703 -11.075 8.130 1.00 71.35 N ATOM 949 CA ALA B 111 3.833 -11.777 7.160 1.00 71.21 C ATOM 950 C ALA B 111 2.854 -10.785 6.504 1.00 43.52 C ATOM 951 O ALA B 111 2.653 -10.804 5.281 1.00 60.22 O ATOM 952 CB ALA B 111 3.073 -12.921 7.846 1.00 14.14 C ATOM 0 H ALA B 111 4.606 -11.409 9.089 1.00 71.35 H new ATOM 0 HA ALA B 111 4.460 -12.208 6.379 1.00 71.21 H new ATOM 0 HB1 ALA B 111 2.439 -13.425 7.117 1.00 14.14 H new ATOM 0 HB2 ALA B 111 3.786 -13.634 8.261 1.00 14.14 H new ATOM 0 HB3 ALA B 111 2.454 -12.518 8.648 1.00 14.14 H new ATOM 958 N GLU B 112 2.277 -9.912 7.353 1.00 10.33 N ATOM 959 CA GLU B 112 1.380 -8.827 6.939 1.00 43.31 C ATOM 960 C GLU B 112 2.144 -7.772 6.110 1.00 11.33 C ATOM 961 O GLU B 112 1.633 -7.280 5.122 1.00 54.02 O ATOM 962 CB GLU B 112 0.754 -8.159 8.188 1.00 50.15 C ATOM 963 CG GLU B 112 -0.249 -7.011 7.889 1.00 31.15 C ATOM 964 CD GLU B 112 -1.627 -7.423 7.348 1.00 42.55 C ATOM 965 OE1 GLU B 112 -1.938 -8.636 7.244 1.00 64.33 O ATOM 966 OE2 GLU B 112 -2.425 -6.518 7.022 1.00 71.51 O ATOM 0 H GLU B 112 2.427 -9.946 8.361 1.00 10.33 H new ATOM 0 HA GLU B 112 0.590 -9.249 6.318 1.00 43.31 H new ATOM 0 HB2 GLU B 112 0.243 -8.924 8.772 1.00 50.15 H new ATOM 0 HB3 GLU B 112 1.557 -7.766 8.811 1.00 50.15 H new ATOM 0 HG2 GLU B 112 -0.400 -6.443 8.807 1.00 31.15 H new ATOM 0 HG3 GLU B 112 0.212 -6.336 7.168 1.00 31.15 H new ATOM 973 N ASN B 113 3.386 -7.469 6.535 1.00 41.51 N ATOM 974 CA ASN B 113 4.265 -6.426 5.937 1.00 15.34 C ATOM 975 C ASN B 113 4.661 -6.807 4.497 1.00 61.20 C ATOM 976 O ASN B 113 4.684 -5.956 3.600 1.00 2.01 O ATOM 977 CB ASN B 113 5.524 -6.275 6.838 1.00 2.13 C ATOM 978 CG ASN B 113 6.569 -5.286 6.328 1.00 73.14 C ATOM 979 OD1 ASN B 113 7.453 -5.648 5.558 1.00 3.34 O ATOM 980 ND2 ASN B 113 6.502 -4.041 6.768 1.00 43.34 N ATOM 0 H ASN B 113 3.823 -7.950 7.321 1.00 41.51 H new ATOM 0 HA ASN B 113 3.733 -5.476 5.885 1.00 15.34 H new ATOM 0 HB2 ASN B 113 5.205 -5.962 7.832 1.00 2.13 H new ATOM 0 HB3 ASN B 113 5.994 -7.253 6.947 1.00 2.13 H new ATOM 0 HD21 ASN B 113 7.195 -3.356 6.468 1.00 43.34 H new ATOM 0 HD22 ASN B 113 5.757 -3.766 7.408 1.00 43.34 H new ATOM 987 N GLU B 114 4.967 -8.107 4.317 1.00 60.30 N ATOM 988 CA GLU B 114 5.223 -8.728 3.009 1.00 4.53 C ATOM 989 C GLU B 114 3.990 -8.583 2.112 1.00 61.41 C ATOM 990 O GLU B 114 4.094 -8.160 0.953 1.00 73.12 O ATOM 991 CB GLU B 114 5.598 -10.235 3.200 1.00 70.31 C ATOM 992 CG GLU B 114 5.217 -11.150 2.011 1.00 52.10 C ATOM 993 CD GLU B 114 5.890 -12.528 2.047 1.00 71.03 C ATOM 994 OE1 GLU B 114 7.138 -12.591 1.948 1.00 72.13 O ATOM 995 OE2 GLU B 114 5.186 -13.557 2.165 1.00 31.42 O ATOM 0 H GLU B 114 5.044 -8.764 5.093 1.00 60.30 H new ATOM 0 HA GLU B 114 6.060 -8.223 2.527 1.00 4.53 H new ATOM 0 HB2 GLU B 114 6.672 -10.310 3.369 1.00 70.31 H new ATOM 0 HB3 GLU B 114 5.107 -10.607 4.099 1.00 70.31 H new ATOM 0 HG2 GLU B 114 4.135 -11.285 2.001 1.00 52.10 H new ATOM 0 HG3 GLU B 114 5.485 -10.650 1.080 1.00 52.10 H new ATOM 1002 N LYS B 115 2.832 -8.968 2.674 1.00 32.53 N ATOM 1003 CA LYS B 115 1.545 -8.876 1.994 1.00 40.12 C ATOM 1004 C LYS B 115 1.254 -7.421 1.578 1.00 54.13 C ATOM 1005 O LYS B 115 0.736 -7.193 0.497 1.00 21.11 O ATOM 1006 CB LYS B 115 0.399 -9.375 2.904 1.00 2.41 C ATOM 1007 CG LYS B 115 -0.991 -9.387 2.207 1.00 53.01 C ATOM 1008 CD LYS B 115 -2.175 -9.231 3.178 1.00 52.14 C ATOM 1009 CE LYS B 115 -2.279 -7.805 3.747 1.00 40.10 C ATOM 1010 NZ LYS B 115 -3.423 -7.685 4.684 1.00 51.41 N ATOM 0 H LYS B 115 2.770 -9.352 3.617 1.00 32.53 H new ATOM 0 HA LYS B 115 1.599 -9.507 1.107 1.00 40.12 H new ATOM 0 HB2 LYS B 115 0.632 -10.383 3.248 1.00 2.41 H new ATOM 0 HB3 LYS B 115 0.347 -8.741 3.789 1.00 2.41 H new ATOM 0 HG2 LYS B 115 -1.026 -8.581 1.474 1.00 53.01 H new ATOM 0 HG3 LYS B 115 -1.104 -10.322 1.659 1.00 53.01 H new ATOM 0 HD2 LYS B 115 -3.101 -9.482 2.661 1.00 52.14 H new ATOM 0 HD3 LYS B 115 -2.065 -9.940 3.998 1.00 52.14 H new ATOM 0 HE2 LYS B 115 -1.354 -7.548 4.263 1.00 40.10 H new ATOM 0 HE3 LYS B 115 -2.397 -7.092 2.931 1.00 40.10 H new ATOM 0 HZ1 LYS B 115 -3.175 -7.030 5.453 1.00 51.41 H new ATOM 0 HZ2 LYS B 115 -4.253 -7.321 4.174 1.00 51.41 H new ATOM 0 HZ3 LYS B 115 -3.644 -8.620 5.083 1.00 51.41 H new ATOM 1024 N LEU B 116 1.620 -6.457 2.453 1.00 64.52 N ATOM 1025 CA LEU B 116 1.385 -5.018 2.226 1.00 14.31 C ATOM 1026 C LEU B 116 2.262 -4.485 1.088 1.00 65.50 C ATOM 1027 O LEU B 116 1.867 -3.575 0.357 1.00 10.33 O ATOM 1028 CB LEU B 116 1.597 -4.196 3.517 1.00 61.24 C ATOM 1029 CG LEU B 116 0.546 -4.418 4.643 1.00 52.05 C ATOM 1030 CD1 LEU B 116 0.932 -3.645 5.909 1.00 73.02 C ATOM 1031 CD2 LEU B 116 -0.882 -4.061 4.171 1.00 60.44 C ATOM 0 H LEU B 116 2.087 -6.658 3.337 1.00 64.52 H new ATOM 0 HA LEU B 116 0.342 -4.904 1.930 1.00 14.31 H new ATOM 0 HB2 LEU B 116 2.584 -4.430 3.916 1.00 61.24 H new ATOM 0 HB3 LEU B 116 1.602 -3.138 3.255 1.00 61.24 H new ATOM 0 HG LEU B 116 0.542 -5.480 4.888 1.00 52.05 H new ATOM 0 HD11 LEU B 116 0.183 -3.815 6.682 1.00 73.02 H new ATOM 0 HD12 LEU B 116 1.904 -3.989 6.263 1.00 73.02 H new ATOM 0 HD13 LEU B 116 0.984 -2.580 5.683 1.00 73.02 H new ATOM 0 HD21 LEU B 116 -1.587 -4.229 4.985 1.00 60.44 H new ATOM 0 HD22 LEU B 116 -0.915 -3.013 3.873 1.00 60.44 H new ATOM 0 HD23 LEU B 116 -1.152 -4.689 3.322 1.00 60.44 H new ATOM 1043 N LYS B 117 3.438 -5.082 0.941 1.00 23.42 N ATOM 1044 CA LYS B 117 4.370 -4.785 -0.148 1.00 4.12 C ATOM 1045 C LYS B 117 3.759 -5.281 -1.492 1.00 13.44 C ATOM 1046 O LYS B 117 3.826 -4.593 -2.524 1.00 54.12 O ATOM 1047 CB LYS B 117 5.736 -5.438 0.217 1.00 22.35 C ATOM 1048 CG LYS B 117 6.930 -5.225 -0.761 1.00 22.24 C ATOM 1049 CD LYS B 117 6.934 -6.184 -1.987 1.00 13.31 C ATOM 1050 CE LYS B 117 6.783 -7.668 -1.588 1.00 11.31 C ATOM 1051 NZ LYS B 117 6.952 -8.570 -2.750 1.00 14.12 N ATOM 0 H LYS B 117 3.780 -5.797 1.583 1.00 23.42 H new ATOM 0 HA LYS B 117 4.543 -3.717 -0.279 1.00 4.12 H new ATOM 0 HB2 LYS B 117 6.035 -5.063 1.196 1.00 22.35 H new ATOM 0 HB3 LYS B 117 5.576 -6.511 0.321 1.00 22.35 H new ATOM 0 HG2 LYS B 117 6.911 -4.196 -1.120 1.00 22.24 H new ATOM 0 HG3 LYS B 117 7.862 -5.354 -0.211 1.00 22.24 H new ATOM 0 HD2 LYS B 117 6.122 -5.909 -2.660 1.00 13.31 H new ATOM 0 HD3 LYS B 117 7.864 -6.054 -2.541 1.00 13.31 H new ATOM 0 HE2 LYS B 117 7.521 -7.916 -0.825 1.00 11.31 H new ATOM 0 HE3 LYS B 117 5.800 -7.827 -1.144 1.00 11.31 H new ATOM 0 HZ1 LYS B 117 6.844 -9.557 -2.442 1.00 14.12 H new ATOM 0 HZ2 LYS B 117 6.232 -8.350 -3.468 1.00 14.12 H new ATOM 0 HZ3 LYS B 117 7.899 -8.437 -3.158 1.00 14.12 H new ATOM 1065 N ALA B 118 3.110 -6.456 -1.435 1.00 72.23 N ATOM 1066 CA ALA B 118 2.531 -7.124 -2.611 1.00 3.14 C ATOM 1067 C ALA B 118 1.229 -6.440 -3.064 1.00 54.13 C ATOM 1068 O ALA B 118 1.042 -6.199 -4.252 1.00 33.13 O ATOM 1069 CB ALA B 118 2.283 -8.598 -2.290 1.00 74.43 C ATOM 0 H ALA B 118 2.972 -6.972 -0.566 1.00 72.23 H new ATOM 0 HA ALA B 118 3.240 -7.048 -3.436 1.00 3.14 H new ATOM 0 HB1 ALA B 118 1.854 -9.093 -3.161 1.00 74.43 H new ATOM 0 HB2 ALA B 118 3.226 -9.077 -2.028 1.00 74.43 H new ATOM 0 HB3 ALA B 118 1.591 -8.676 -1.451 1.00 74.43 H new ATOM 1075 N GLN B 119 0.357 -6.104 -2.099 1.00 60.11 N ATOM 1076 CA GLN B 119 -0.968 -5.518 -2.372 1.00 45.12 C ATOM 1077 C GLN B 119 -0.826 -4.084 -2.884 1.00 30.20 C ATOM 1078 O GLN B 119 -1.611 -3.661 -3.731 1.00 11.43 O ATOM 1079 CB GLN B 119 -1.884 -5.580 -1.107 1.00 43.45 C ATOM 1080 CG GLN B 119 -1.352 -4.831 0.137 1.00 32.20 C ATOM 1081 CD GLN B 119 -1.676 -3.341 0.225 1.00 4.34 C ATOM 1082 OE1 GLN B 119 -0.740 -2.575 0.761 1.00 64.34 O flip ATOM 1083 NE2 GLN B 119 -2.724 -2.878 -0.217 1.00 40.11 N flip ATOM 0 H GLN B 119 0.550 -6.231 -1.106 1.00 60.11 H new ATOM 0 HA GLN B 119 -1.447 -6.110 -3.152 1.00 45.12 H new ATOM 0 HB2 GLN B 119 -2.860 -5.170 -1.366 1.00 43.45 H new ATOM 0 HB3 GLN B 119 -2.037 -6.626 -0.842 1.00 43.45 H new ATOM 0 HG2 GLN B 119 -1.750 -5.320 1.026 1.00 32.20 H new ATOM 0 HG3 GLN B 119 -0.269 -4.947 0.168 1.00 32.20 H new ATOM 0 HE21 GLN B 119 -3.424 -3.498 -0.624 1.00 40.11 H new ATOM 0 HE22 GLN B 119 -2.894 -1.873 -0.178 1.00 40.11 H new ATOM 1092 N LEU B 120 0.176 -3.336 -2.348 1.00 42.00 N ATOM 1093 CA LEU B 120 0.461 -1.974 -2.817 1.00 75.24 C ATOM 1094 C LEU B 120 0.896 -2.053 -4.274 1.00 35.22 C ATOM 1095 O LEU B 120 0.408 -1.296 -5.096 1.00 15.10 O ATOM 1096 CB LEU B 120 1.531 -1.246 -1.929 1.00 75.41 C ATOM 1097 CG LEU B 120 3.078 -1.378 -2.291 1.00 64.14 C ATOM 1098 CD1 LEU B 120 3.552 -0.309 -3.312 1.00 44.45 C ATOM 1099 CD2 LEU B 120 3.961 -1.327 -1.042 1.00 23.10 C ATOM 0 H LEU B 120 0.788 -3.659 -1.599 1.00 42.00 H new ATOM 0 HA LEU B 120 -0.443 -1.371 -2.733 1.00 75.24 H new ATOM 0 HB2 LEU B 120 1.286 -0.184 -1.928 1.00 75.41 H new ATOM 0 HB3 LEU B 120 1.404 -1.603 -0.907 1.00 75.41 H new ATOM 0 HG LEU B 120 3.185 -2.356 -2.760 1.00 64.14 H new ATOM 0 HD11 LEU B 120 4.613 -0.449 -3.519 1.00 44.45 H new ATOM 0 HD12 LEU B 120 2.985 -0.412 -4.237 1.00 44.45 H new ATOM 0 HD13 LEU B 120 3.392 0.686 -2.897 1.00 44.45 H new ATOM 0 HD21 LEU B 120 5.008 -1.420 -1.332 1.00 23.10 H new ATOM 0 HD22 LEU B 120 3.810 -0.378 -0.528 1.00 23.10 H new ATOM 0 HD23 LEU B 120 3.695 -2.147 -0.375 1.00 23.10 H new ATOM 1111 N HIS B 121 1.809 -3.019 -4.569 1.00 15.10 N ATOM 1112 CA HIS B 121 2.338 -3.243 -5.916 1.00 3.44 C ATOM 1113 C HIS B 121 1.199 -3.588 -6.890 1.00 2.51 C ATOM 1114 O HIS B 121 1.193 -3.113 -8.014 1.00 64.13 O ATOM 1115 CB HIS B 121 3.420 -4.351 -5.907 1.00 30.55 C ATOM 1116 CG HIS B 121 3.944 -4.680 -7.281 1.00 10.51 C ATOM 1117 ND1 HIS B 121 3.843 -5.927 -7.848 1.00 65.13 N ATOM 1118 CD2 HIS B 121 4.526 -3.894 -8.221 1.00 73.32 C ATOM 1119 CE1 HIS B 121 4.343 -5.900 -9.058 1.00 33.54 C ATOM 1120 NE2 HIS B 121 4.764 -4.679 -9.310 1.00 51.13 N ATOM 0 H HIS B 121 2.190 -3.657 -3.870 1.00 15.10 H new ATOM 0 HA HIS B 121 2.810 -2.322 -6.258 1.00 3.44 H new ATOM 0 HB2 HIS B 121 4.250 -4.034 -5.275 1.00 30.55 H new ATOM 0 HB3 HIS B 121 3.004 -5.253 -5.458 1.00 30.55 H new ATOM 0 HD2 HIS B 121 4.757 -2.843 -8.125 1.00 73.32 H new ATOM 0 HE1 HIS B 121 4.400 -6.739 -9.735 1.00 33.54 H new ATOM 0 HE2 HIS B 121 5.198 -4.370 -10.180 1.00 51.13 H new ATOM 1129 N ASP B 122 0.229 -4.377 -6.406 1.00 11.34 N ATOM 1130 CA ASP B 122 -0.945 -4.809 -7.181 1.00 73.14 C ATOM 1131 C ASP B 122 -1.826 -3.594 -7.545 1.00 52.24 C ATOM 1132 O ASP B 122 -2.206 -3.414 -8.708 1.00 11.10 O ATOM 1133 CB ASP B 122 -1.738 -5.872 -6.364 1.00 2.41 C ATOM 1134 CG ASP B 122 -2.883 -6.516 -7.163 1.00 1.43 C ATOM 1135 OD1 ASP B 122 -2.593 -7.167 -8.193 1.00 2.41 O ATOM 1136 OD2 ASP B 122 -4.062 -6.423 -6.739 1.00 71.45 O ATOM 0 H ASP B 122 0.237 -4.738 -5.452 1.00 11.34 H new ATOM 0 HA ASP B 122 -0.622 -5.265 -8.117 1.00 73.14 H new ATOM 0 HB2 ASP B 122 -1.052 -6.651 -6.031 1.00 2.41 H new ATOM 0 HB3 ASP B 122 -2.147 -5.403 -5.469 1.00 2.41 H new ATOM 1141 N THR B 123 -2.056 -2.730 -6.537 1.00 55.12 N ATOM 1142 CA THR B 123 -2.832 -1.481 -6.674 1.00 0.11 C ATOM 1143 C THR B 123 -2.061 -0.445 -7.543 1.00 63.31 C ATOM 1144 O THR B 123 -2.668 0.391 -8.224 1.00 71.12 O ATOM 1145 CB THR B 123 -3.162 -0.899 -5.251 1.00 12.11 C ATOM 1146 OG1 THR B 123 -3.705 -1.951 -4.426 1.00 30.42 O ATOM 1147 CG2 THR B 123 -4.181 0.259 -5.307 1.00 71.22 C ATOM 0 H THR B 123 -1.703 -2.882 -5.592 1.00 55.12 H new ATOM 0 HA THR B 123 -3.771 -1.701 -7.183 1.00 0.11 H new ATOM 0 HB THR B 123 -2.233 -0.507 -4.836 1.00 12.11 H new ATOM 0 HG1 THR B 123 -2.981 -2.541 -4.130 1.00 30.42 H new ATOM 0 HG21 THR B 123 -4.373 0.624 -4.298 1.00 71.22 H new ATOM 0 HG22 THR B 123 -3.778 1.069 -5.915 1.00 71.22 H new ATOM 0 HG23 THR B 123 -5.112 -0.097 -5.748 1.00 71.22 H new ATOM 1155 N ASN B 124 -0.707 -0.542 -7.517 1.00 44.23 N ATOM 1156 CA ASN B 124 0.191 0.290 -8.345 1.00 75.44 C ATOM 1157 C ASN B 124 0.118 -0.140 -9.815 1.00 32.14 C ATOM 1158 O ASN B 124 0.147 0.715 -10.690 1.00 1.40 O ATOM 1159 CB ASN B 124 1.675 0.228 -7.853 1.00 14.34 C ATOM 1160 CG ASN B 124 1.998 1.091 -6.620 1.00 64.45 C ATOM 1161 OD1 ASN B 124 1.073 1.231 -5.682 1.00 13.33 O flip ATOM 1162 ND2 ASN B 124 3.111 1.604 -6.496 1.00 31.04 N flip ATOM 0 H ASN B 124 -0.211 -1.202 -6.918 1.00 44.23 H new ATOM 0 HA ASN B 124 -0.151 1.320 -8.247 1.00 75.44 H new ATOM 0 HB2 ASN B 124 1.921 -0.809 -7.624 1.00 14.34 H new ATOM 0 HB3 ASN B 124 2.325 0.537 -8.672 1.00 14.34 H new ATOM 0 HD21 ASN B 124 3.811 1.486 -7.228 1.00 31.04 H new ATOM 0 HD22 ASN B 124 3.332 2.147 -5.661 1.00 31.04 H new ATOM 1169 N MET B 125 0.032 -1.464 -10.073 1.00 55.24 N ATOM 1170 CA MET B 125 -0.085 -2.013 -11.437 1.00 33.03 C ATOM 1171 C MET B 125 -1.391 -1.557 -12.105 1.00 61.34 C ATOM 1172 O MET B 125 -1.404 -1.270 -13.308 1.00 74.23 O ATOM 1173 CB MET B 125 -0.015 -3.558 -11.399 1.00 62.53 C ATOM 1174 CG MET B 125 1.339 -4.112 -10.930 1.00 72.30 C ATOM 1175 SD MET B 125 2.698 -3.770 -12.078 1.00 63.13 S ATOM 1176 CE MET B 125 2.138 -4.581 -13.576 1.00 64.34 C ATOM 0 H MET B 125 0.042 -2.177 -9.343 1.00 55.24 H new ATOM 0 HA MET B 125 0.749 -1.634 -12.028 1.00 33.03 H new ATOM 0 HB2 MET B 125 -0.797 -3.930 -10.737 1.00 62.53 H new ATOM 0 HB3 MET B 125 -0.229 -3.946 -12.395 1.00 62.53 H new ATOM 0 HG2 MET B 125 1.580 -3.684 -9.957 1.00 72.30 H new ATOM 0 HG3 MET B 125 1.253 -5.190 -10.792 1.00 72.30 H new ATOM 0 HE1 MET B 125 2.984 -4.730 -14.247 1.00 64.34 H new ATOM 0 HE2 MET B 125 1.700 -5.547 -13.325 1.00 64.34 H new ATOM 0 HE3 MET B 125 1.390 -3.960 -14.068 1.00 64.34 H new ATOM 1186 N GLU B 126 -2.481 -1.504 -11.311 1.00 74.41 N ATOM 1187 CA GLU B 126 -3.772 -0.959 -11.773 1.00 31.45 C ATOM 1188 C GLU B 126 -3.605 0.535 -12.103 1.00 3.04 C ATOM 1189 O GLU B 126 -4.001 0.986 -13.163 1.00 23.24 O ATOM 1190 CB GLU B 126 -4.880 -1.150 -10.705 1.00 61.44 C ATOM 1191 CG GLU B 126 -4.959 -2.564 -10.117 1.00 12.52 C ATOM 1192 CD GLU B 126 -6.142 -2.771 -9.159 1.00 33.23 C ATOM 1193 OE1 GLU B 126 -5.977 -2.586 -7.935 1.00 11.53 O ATOM 1194 OE2 GLU B 126 -7.247 -3.125 -9.630 1.00 44.22 O ATOM 0 H GLU B 126 -2.491 -1.833 -10.346 1.00 74.41 H new ATOM 0 HA GLU B 126 -4.077 -1.502 -12.667 1.00 31.45 H new ATOM 0 HB2 GLU B 126 -4.711 -0.442 -9.894 1.00 61.44 H new ATOM 0 HB3 GLU B 126 -5.843 -0.901 -11.150 1.00 61.44 H new ATOM 0 HG2 GLU B 126 -5.034 -3.283 -10.933 1.00 12.52 H new ATOM 0 HG3 GLU B 126 -4.032 -2.779 -9.586 1.00 12.52 H new ATOM 1201 N LEU B 127 -2.953 1.269 -11.180 1.00 55.14 N ATOM 1202 CA LEU B 127 -2.675 2.717 -11.320 1.00 42.03 C ATOM 1203 C LEU B 127 -1.781 3.011 -12.560 1.00 5.10 C ATOM 1204 O LEU B 127 -1.913 4.064 -13.198 1.00 71.01 O ATOM 1205 CB LEU B 127 -2.007 3.228 -10.014 1.00 42.34 C ATOM 1206 CG LEU B 127 -1.717 4.760 -9.924 1.00 21.31 C ATOM 1207 CD1 LEU B 127 -3.025 5.578 -9.871 1.00 32.40 C ATOM 1208 CD2 LEU B 127 -0.799 5.078 -8.727 1.00 50.44 C ATOM 0 H LEU B 127 -2.601 0.873 -10.309 1.00 55.14 H new ATOM 0 HA LEU B 127 -3.615 3.246 -11.480 1.00 42.03 H new ATOM 0 HB2 LEU B 127 -2.647 2.954 -9.175 1.00 42.34 H new ATOM 0 HB3 LEU B 127 -1.065 2.696 -9.884 1.00 42.34 H new ATOM 0 HG LEU B 127 -1.190 5.055 -10.831 1.00 21.31 H new ATOM 0 HD11 LEU B 127 -2.788 6.640 -9.809 1.00 32.40 H new ATOM 0 HD12 LEU B 127 -3.609 5.389 -10.772 1.00 32.40 H new ATOM 0 HD13 LEU B 127 -3.603 5.283 -8.995 1.00 32.40 H new ATOM 0 HD21 LEU B 127 -0.612 6.151 -8.687 1.00 50.44 H new ATOM 0 HD22 LEU B 127 -1.282 4.759 -7.803 1.00 50.44 H new ATOM 0 HD23 LEU B 127 0.147 4.549 -8.844 1.00 50.44 H new ATOM 1220 N THR B 128 -0.897 2.044 -12.898 1.00 40.12 N ATOM 1221 CA THR B 128 0.016 2.137 -14.050 1.00 73.35 C ATOM 1222 C THR B 128 -0.743 1.813 -15.363 1.00 10.52 C ATOM 1223 O THR B 128 -0.470 2.403 -16.422 1.00 24.40 O ATOM 1224 CB THR B 128 1.261 1.207 -13.857 1.00 2.13 C ATOM 1225 OG1 THR B 128 1.927 1.545 -12.623 1.00 64.11 O ATOM 1226 CG2 THR B 128 2.271 1.329 -15.013 1.00 33.45 C ATOM 0 H THR B 128 -0.800 1.175 -12.373 1.00 40.12 H new ATOM 0 HA THR B 128 0.387 3.160 -14.119 1.00 73.35 H new ATOM 0 HB THR B 128 0.896 0.180 -13.836 1.00 2.13 H new ATOM 0 HG1 THR B 128 1.363 1.286 -11.865 1.00 64.11 H new ATOM 0 HG21 THR B 128 3.115 0.664 -14.830 1.00 33.45 H new ATOM 0 HG22 THR B 128 1.787 1.052 -15.950 1.00 33.45 H new ATOM 0 HG23 THR B 128 2.627 2.357 -15.078 1.00 33.45 H new ATOM 1234 N ASP B 129 -1.722 0.895 -15.268 1.00 2.23 N ATOM 1235 CA ASP B 129 -2.666 0.600 -16.363 1.00 72.44 C ATOM 1236 C ASP B 129 -3.510 1.854 -16.658 1.00 21.50 C ATOM 1237 O ASP B 129 -3.745 2.186 -17.812 1.00 32.13 O ATOM 1238 CB ASP B 129 -3.581 -0.606 -15.980 1.00 42.24 C ATOM 1239 CG ASP B 129 -4.668 -0.921 -17.038 1.00 64.11 C ATOM 1240 OD1 ASP B 129 -5.823 -0.451 -16.896 1.00 0.34 O ATOM 1241 OD2 ASP B 129 -4.369 -1.653 -18.006 1.00 53.33 O ATOM 0 H ASP B 129 -1.882 0.336 -14.430 1.00 2.23 H new ATOM 0 HA ASP B 129 -2.109 0.328 -17.260 1.00 72.44 H new ATOM 0 HB2 ASP B 129 -2.960 -1.490 -15.835 1.00 42.24 H new ATOM 0 HB3 ASP B 129 -4.065 -0.396 -15.026 1.00 42.24 H new ATOM 1246 N LEU B 130 -3.902 2.560 -15.586 1.00 74.24 N ATOM 1247 CA LEU B 130 -4.772 3.743 -15.659 1.00 60.41 C ATOM 1248 C LEU B 130 -4.044 4.981 -16.214 1.00 50.14 C ATOM 1249 O LEU B 130 -4.671 5.783 -16.915 1.00 42.40 O ATOM 1250 CB LEU B 130 -5.427 4.034 -14.266 1.00 3.14 C ATOM 1251 CG LEU B 130 -6.845 3.398 -14.033 1.00 13.10 C ATOM 1252 CD1 LEU B 130 -7.853 3.899 -15.084 1.00 73.34 C ATOM 1253 CD2 LEU B 130 -6.807 1.854 -14.003 1.00 75.45 C ATOM 0 H LEU B 130 -3.621 2.323 -14.635 1.00 74.24 H new ATOM 0 HA LEU B 130 -5.566 3.515 -16.370 1.00 60.41 H new ATOM 0 HB2 LEU B 130 -4.755 3.674 -13.487 1.00 3.14 H new ATOM 0 HB3 LEU B 130 -5.509 5.114 -14.142 1.00 3.14 H new ATOM 0 HG LEU B 130 -7.176 3.725 -13.047 1.00 13.10 H new ATOM 0 HD11 LEU B 130 -8.826 3.444 -14.901 1.00 73.34 H new ATOM 0 HD12 LEU B 130 -7.941 4.983 -15.016 1.00 73.34 H new ATOM 0 HD13 LEU B 130 -7.506 3.625 -16.080 1.00 73.34 H new ATOM 0 HD21 LEU B 130 -7.813 1.468 -13.839 1.00 75.45 H new ATOM 0 HD22 LEU B 130 -6.426 1.481 -14.954 1.00 75.45 H new ATOM 0 HD23 LEU B 130 -6.155 1.522 -13.195 1.00 75.45 H new ATOM 1265 N LYS B 131 -2.727 5.150 -15.909 1.00 42.32 N ATOM 1266 CA LYS B 131 -1.932 6.273 -16.480 1.00 62.42 C ATOM 1267 C LYS B 131 -1.607 6.001 -17.962 1.00 23.22 C ATOM 1268 O LYS B 131 -1.445 6.944 -18.748 1.00 22.33 O ATOM 1269 CB LYS B 131 -0.649 6.627 -15.634 1.00 34.10 C ATOM 1270 CG LYS B 131 0.395 5.500 -15.361 1.00 72.54 C ATOM 1271 CD LYS B 131 1.290 5.101 -16.572 1.00 20.41 C ATOM 1272 CE LYS B 131 2.224 6.225 -17.056 1.00 64.23 C ATOM 1273 NZ LYS B 131 3.289 6.537 -16.068 1.00 32.11 N ATOM 0 H LYS B 131 -2.203 4.537 -15.284 1.00 42.32 H new ATOM 0 HA LYS B 131 -2.553 7.167 -16.427 1.00 62.42 H new ATOM 0 HB2 LYS B 131 -0.132 7.442 -16.140 1.00 34.10 H new ATOM 0 HB3 LYS B 131 -0.983 7.011 -14.670 1.00 34.10 H new ATOM 0 HG2 LYS B 131 1.042 5.820 -14.544 1.00 72.54 H new ATOM 0 HG3 LYS B 131 -0.137 4.613 -15.018 1.00 72.54 H new ATOM 0 HD2 LYS B 131 1.892 4.235 -16.296 1.00 20.41 H new ATOM 0 HD3 LYS B 131 0.649 4.793 -17.399 1.00 20.41 H new ATOM 0 HE2 LYS B 131 2.682 5.932 -18.001 1.00 64.23 H new ATOM 0 HE3 LYS B 131 1.638 7.123 -17.251 1.00 64.23 H new ATOM 0 HZ1 LYS B 131 3.893 7.299 -16.437 1.00 32.11 H new ATOM 0 HZ2 LYS B 131 2.854 6.842 -15.174 1.00 32.11 H new ATOM 0 HZ3 LYS B 131 3.866 5.688 -15.900 1.00 32.11 H new ATOM 1287 N LEU B 132 -1.520 4.700 -18.319 1.00 55.10 N ATOM 1288 CA LEU B 132 -1.323 4.259 -19.708 1.00 23.22 C ATOM 1289 C LEU B 132 -2.581 4.558 -20.543 1.00 71.24 C ATOM 1290 O LEU B 132 -2.498 5.199 -21.594 1.00 60.11 O ATOM 1291 CB LEU B 132 -0.977 2.747 -19.741 1.00 44.34 C ATOM 1292 CG LEU B 132 -0.726 2.118 -21.154 1.00 3.25 C ATOM 1293 CD1 LEU B 132 0.407 2.839 -21.911 1.00 73.41 C ATOM 1294 CD2 LEU B 132 -0.443 0.607 -21.041 1.00 51.31 C ATOM 0 H LEU B 132 -1.585 3.932 -17.651 1.00 55.10 H new ATOM 0 HA LEU B 132 -0.489 4.809 -20.144 1.00 23.22 H new ATOM 0 HB2 LEU B 132 -0.086 2.588 -19.133 1.00 44.34 H new ATOM 0 HB3 LEU B 132 -1.790 2.200 -19.264 1.00 44.34 H new ATOM 0 HG LEU B 132 -1.638 2.252 -21.736 1.00 3.25 H new ATOM 0 HD11 LEU B 132 0.548 2.372 -22.885 1.00 73.41 H new ATOM 0 HD12 LEU B 132 0.144 3.888 -22.046 1.00 73.41 H new ATOM 0 HD13 LEU B 132 1.331 2.768 -21.337 1.00 73.41 H new ATOM 0 HD21 LEU B 132 -0.272 0.194 -22.035 1.00 51.31 H new ATOM 0 HD22 LEU B 132 0.442 0.448 -20.425 1.00 51.31 H new ATOM 0 HD23 LEU B 132 -1.298 0.110 -20.583 1.00 51.31 H new ATOM 1306 N GLN B 133 -3.757 4.117 -20.036 1.00 23.02 N ATOM 1307 CA GLN B 133 -5.058 4.402 -20.666 1.00 75.01 C ATOM 1308 C GLN B 133 -5.289 5.914 -20.765 1.00 24.24 C ATOM 1309 O GLN B 133 -5.962 6.368 -21.680 1.00 41.11 O ATOM 1310 CB GLN B 133 -6.239 3.785 -19.874 1.00 43.24 C ATOM 1311 CG GLN B 133 -6.241 2.261 -19.734 1.00 71.12 C ATOM 1312 CD GLN B 133 -7.498 1.761 -19.025 1.00 51.43 C ATOM 1313 OE1 GLN B 133 -7.538 1.914 -17.716 1.00 21.05 O flip ATOM 1314 NE2 GLN B 133 -8.462 1.332 -19.659 1.00 0.42 N flip ATOM 0 H GLN B 133 -3.825 3.558 -19.185 1.00 23.02 H new ATOM 0 HA GLN B 133 -5.024 3.953 -21.659 1.00 75.01 H new ATOM 0 HB2 GLN B 133 -6.245 4.220 -18.875 1.00 43.24 H new ATOM 0 HB3 GLN B 133 -7.169 4.085 -20.358 1.00 43.24 H new ATOM 0 HG2 GLN B 133 -6.174 1.805 -20.722 1.00 71.12 H new ATOM 0 HG3 GLN B 133 -5.359 1.945 -19.177 1.00 71.12 H new ATOM 0 HE21 GLN B 133 -8.400 1.225 -20.671 1.00 0.42 H new ATOM 0 HE22 GLN B 133 -9.323 1.084 -19.172 1.00 0.42 H new ATOM 1323 N LEU B 134 -4.749 6.662 -19.778 1.00 34.11 N ATOM 1324 CA LEU B 134 -4.879 8.129 -19.682 1.00 12.22 C ATOM 1325 C LEU B 134 -4.285 8.788 -20.933 1.00 24.51 C ATOM 1326 O LEU B 134 -4.992 9.443 -21.699 1.00 45.42 O ATOM 1327 CB LEU B 134 -4.156 8.647 -18.380 1.00 60.24 C ATOM 1328 CG LEU B 134 -4.913 9.703 -17.524 1.00 23.22 C ATOM 1329 CD1 LEU B 134 -5.221 10.990 -18.325 1.00 4.13 C ATOM 1330 CD2 LEU B 134 -6.191 9.084 -16.906 1.00 52.14 C ATOM 0 H LEU B 134 -4.204 6.257 -19.017 1.00 34.11 H new ATOM 0 HA LEU B 134 -5.934 8.395 -19.620 1.00 12.22 H new ATOM 0 HB2 LEU B 134 -3.943 7.786 -17.746 1.00 60.24 H new ATOM 0 HB3 LEU B 134 -3.196 9.073 -18.672 1.00 60.24 H new ATOM 0 HG LEU B 134 -4.257 10.004 -16.707 1.00 23.22 H new ATOM 0 HD11 LEU B 134 -5.750 11.698 -17.687 1.00 4.13 H new ATOM 0 HD12 LEU B 134 -4.288 11.437 -18.668 1.00 4.13 H new ATOM 0 HD13 LEU B 134 -5.842 10.743 -19.186 1.00 4.13 H new ATOM 0 HD21 LEU B 134 -6.708 9.836 -16.310 1.00 52.14 H new ATOM 0 HD22 LEU B 134 -6.849 8.737 -17.703 1.00 52.14 H new ATOM 0 HD23 LEU B 134 -5.917 8.243 -16.269 1.00 52.14 H new