USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=15 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: B 113 ASN : amide:sc= 0.423 K(o=1.1,f=-1.3) USER MOD Set 1.2: B 117 LYS NZ :NH3+ -119:sc= 0.651 (180deg=0.369) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 13 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.039) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= -0.207 (180deg=-0.228) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -2.29 K(o=-2.3,f=-3.9!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 88:sc= 1.29 USER MOD Single : A 24 ASN : amide:sc= -1.43! X(o=-1.4!,f=-1.2) USER MOD Single : A 25 MET CE :methyl -161:sc= -0.116 (180deg=-0.613) USER MOD Single : A 28 THR OG1 : rot 77:sc= 0.839 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.11) USER MOD Single : B 103 LYS NZ :NH3+ 156:sc= -0.601 (180deg=-1.48!) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.082) USER MOD Single : B 115 LYS NZ :NH3+ -156:sc= 0.629 (180deg=0.315) USER MOD Single : B 119 GLN :FLIP amide:sc= -1.55 F(o=-2.7!,f=-1.6) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : B 123 THR OG1 : rot 77:sc= 1.17 USER MOD Single : B 124 ASN :FLIP amide:sc= -1.28 F(o=-3.7!,f=-1.3) USER MOD Single : B 125 MET CE :methyl -166:sc= -0.0552 (180deg=-0.316) USER MOD Single : B 128 THR OG1 : rot 75:sc= 1.27 USER MOD Single : B 131 LYS NZ :NH3+ -167:sc= -0.534 (180deg=-0.746) USER MOD Single : B 133 GLN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 10.999 -6.744 22.776 1.00 73.51 N ATOM 36 CA LYS A 3 9.943 -5.718 22.645 1.00 44.11 C ATOM 37 C LYS A 3 10.164 -4.907 21.335 1.00 15.00 C ATOM 38 O LYS A 3 9.206 -4.521 20.652 1.00 12.33 O ATOM 39 CB LYS A 3 9.884 -4.768 23.903 1.00 11.30 C ATOM 40 CG LYS A 3 10.738 -3.470 23.838 1.00 13.23 C ATOM 41 CD LYS A 3 12.267 -3.677 24.037 1.00 61.21 C ATOM 42 CE LYS A 3 12.686 -3.784 25.518 1.00 11.12 C ATOM 43 NZ LYS A 3 14.165 -3.636 25.691 1.00 23.30 N ATOM 0 HA LYS A 3 8.979 -6.223 22.593 1.00 44.11 H new ATOM 0 HB2 LYS A 3 8.844 -4.484 24.066 1.00 11.30 H new ATOM 0 HB3 LYS A 3 10.199 -5.339 24.776 1.00 11.30 H new ATOM 0 HG2 LYS A 3 10.574 -2.993 22.871 1.00 13.23 H new ATOM 0 HG3 LYS A 3 10.378 -2.778 24.600 1.00 13.23 H new ATOM 0 HD2 LYS A 3 12.574 -4.583 23.514 1.00 61.21 H new ATOM 0 HD3 LYS A 3 12.801 -2.846 23.576 1.00 61.21 H new ATOM 0 HE2 LYS A 3 12.174 -3.015 26.097 1.00 11.12 H new ATOM 0 HE3 LYS A 3 12.368 -4.748 25.917 1.00 11.12 H new ATOM 0 HZ1 LYS A 3 14.406 -3.714 26.700 1.00 23.30 H new ATOM 0 HZ2 LYS A 3 14.653 -4.385 25.160 1.00 23.30 H new ATOM 0 HZ3 LYS A 3 14.465 -2.706 25.334 1.00 23.30 H new ATOM 57 N LYS A 4 11.463 -4.690 20.997 1.00 11.32 N ATOM 58 CA LYS A 4 11.874 -3.947 19.808 1.00 12.42 C ATOM 59 C LYS A 4 11.656 -4.791 18.540 1.00 74.22 C ATOM 60 O LYS A 4 11.426 -4.230 17.483 1.00 2.42 O ATOM 61 CB LYS A 4 13.362 -3.497 19.936 1.00 74.13 C ATOM 62 CG LYS A 4 14.431 -4.618 19.724 1.00 42.15 C ATOM 63 CD LYS A 4 15.183 -4.516 18.360 1.00 61.23 C ATOM 64 CE LYS A 4 15.813 -5.854 17.934 1.00 42.35 C ATOM 65 NZ LYS A 4 16.797 -5.714 16.812 1.00 71.34 N ATOM 0 H LYS A 4 12.246 -5.033 21.553 1.00 11.32 H new ATOM 0 HA LYS A 4 11.256 -3.053 19.724 1.00 12.42 H new ATOM 0 HB2 LYS A 4 13.546 -2.704 19.211 1.00 74.13 H new ATOM 0 HB3 LYS A 4 13.508 -3.065 20.926 1.00 74.13 H new ATOM 0 HG2 LYS A 4 15.158 -4.572 20.534 1.00 42.15 H new ATOM 0 HG3 LYS A 4 13.943 -5.590 19.788 1.00 42.15 H new ATOM 0 HD2 LYS A 4 14.488 -4.184 17.589 1.00 61.23 H new ATOM 0 HD3 LYS A 4 15.963 -3.758 18.434 1.00 61.23 H new ATOM 0 HE2 LYS A 4 16.313 -6.302 18.793 1.00 42.35 H new ATOM 0 HE3 LYS A 4 15.022 -6.540 17.631 1.00 42.35 H new ATOM 0 HZ1 LYS A 4 17.185 -6.649 16.572 1.00 71.34 H new ATOM 0 HZ2 LYS A 4 16.320 -5.313 15.980 1.00 71.34 H new ATOM 0 HZ3 LYS A 4 17.570 -5.083 17.105 1.00 71.34 H new ATOM 79 N LEU A 5 11.711 -6.145 18.668 1.00 40.14 N ATOM 80 CA LEU A 5 11.485 -7.069 17.531 1.00 61.05 C ATOM 81 C LEU A 5 10.094 -6.828 16.929 1.00 71.43 C ATOM 82 O LEU A 5 9.918 -6.793 15.693 1.00 32.13 O ATOM 83 CB LEU A 5 11.594 -8.552 17.973 1.00 33.34 C ATOM 84 CG LEU A 5 11.594 -9.577 16.795 1.00 4.14 C ATOM 85 CD1 LEU A 5 12.906 -9.474 15.993 1.00 14.22 C ATOM 86 CD2 LEU A 5 11.326 -11.016 17.275 1.00 25.54 C ATOM 0 H LEU A 5 11.910 -6.617 19.550 1.00 40.14 H new ATOM 0 HA LEU A 5 12.256 -6.871 16.787 1.00 61.05 H new ATOM 0 HB2 LEU A 5 12.510 -8.680 18.550 1.00 33.34 H new ATOM 0 HB3 LEU A 5 10.762 -8.782 18.639 1.00 33.34 H new ATOM 0 HG LEU A 5 10.769 -9.320 16.130 1.00 4.14 H new ATOM 0 HD11 LEU A 5 12.890 -10.195 15.176 1.00 14.22 H new ATOM 0 HD12 LEU A 5 13.006 -8.467 15.587 1.00 14.22 H new ATOM 0 HD13 LEU A 5 13.751 -9.687 16.648 1.00 14.22 H new ATOM 0 HD21 LEU A 5 11.336 -11.692 16.420 1.00 25.54 H new ATOM 0 HD22 LEU A 5 12.100 -11.314 17.982 1.00 25.54 H new ATOM 0 HD23 LEU A 5 10.352 -11.061 17.763 1.00 25.54 H new ATOM 98 N TYR A 6 9.129 -6.649 17.855 1.00 62.25 N ATOM 99 CA TYR A 6 7.762 -6.241 17.542 1.00 14.32 C ATOM 100 C TYR A 6 7.778 -4.935 16.741 1.00 43.23 C ATOM 101 O TYR A 6 7.279 -4.896 15.623 1.00 13.22 O ATOM 102 CB TYR A 6 6.957 -6.078 18.858 1.00 53.14 C ATOM 103 CG TYR A 6 5.439 -6.159 18.681 1.00 72.44 C ATOM 104 CD1 TYR A 6 4.766 -7.376 18.832 1.00 13.21 C ATOM 105 CD2 TYR A 6 4.678 -5.034 18.345 1.00 75.32 C ATOM 106 CE1 TYR A 6 3.403 -7.463 18.659 1.00 61.13 C ATOM 107 CE2 TYR A 6 3.310 -5.121 18.175 1.00 63.22 C ATOM 108 CZ TYR A 6 2.678 -6.337 18.333 1.00 51.14 C ATOM 109 OH TYR A 6 1.313 -6.430 18.156 1.00 13.05 O ATOM 0 H TYR A 6 9.290 -6.788 18.853 1.00 62.25 H new ATOM 0 HA TYR A 6 7.280 -7.006 16.933 1.00 14.32 H new ATOM 0 HB2 TYR A 6 7.271 -6.850 19.560 1.00 53.14 H new ATOM 0 HB3 TYR A 6 7.208 -5.117 19.307 1.00 53.14 H new ATOM 0 HD1 TYR A 6 5.326 -8.263 19.089 1.00 13.21 H new ATOM 0 HD2 TYR A 6 5.169 -4.081 18.216 1.00 75.32 H new ATOM 0 HE1 TYR A 6 2.902 -8.412 18.779 1.00 61.13 H new ATOM 0 HE2 TYR A 6 2.738 -4.241 17.920 1.00 63.22 H new ATOM 0 HH TYR A 6 0.951 -5.547 17.931 1.00 13.05 H new ATOM 119 N GLU A 7 8.451 -3.918 17.301 1.00 32.20 N ATOM 120 CA GLU A 7 8.521 -2.564 16.738 1.00 53.43 C ATOM 121 C GLU A 7 9.112 -2.538 15.320 1.00 13.25 C ATOM 122 O GLU A 7 8.687 -1.733 14.502 1.00 14.33 O ATOM 123 CB GLU A 7 9.381 -1.673 17.666 1.00 24.41 C ATOM 124 CG GLU A 7 8.857 -1.529 19.120 1.00 34.23 C ATOM 125 CD GLU A 7 7.325 -1.398 19.247 1.00 23.24 C ATOM 126 OE1 GLU A 7 6.783 -0.284 19.061 1.00 11.54 O ATOM 127 OE2 GLU A 7 6.653 -2.409 19.551 1.00 11.41 O ATOM 0 H GLU A 7 8.970 -4.017 18.173 1.00 32.20 H new ATOM 0 HA GLU A 7 7.501 -2.187 16.669 1.00 53.43 H new ATOM 0 HB2 GLU A 7 10.391 -2.081 17.700 1.00 24.41 H new ATOM 0 HB3 GLU A 7 9.453 -0.680 17.223 1.00 24.41 H new ATOM 0 HG2 GLU A 7 9.182 -2.396 19.696 1.00 34.23 H new ATOM 0 HG3 GLU A 7 9.321 -0.653 19.573 1.00 34.23 H new ATOM 134 N GLN A 8 10.102 -3.417 15.056 1.00 2.43 N ATOM 135 CA GLN A 8 10.815 -3.446 13.758 1.00 41.32 C ATOM 136 C GLN A 8 9.867 -3.819 12.608 1.00 54.21 C ATOM 137 O GLN A 8 9.649 -3.005 11.688 1.00 74.24 O ATOM 138 CB GLN A 8 12.040 -4.411 13.790 1.00 50.11 C ATOM 139 CG GLN A 8 13.108 -4.097 14.869 1.00 31.12 C ATOM 140 CD GLN A 8 13.349 -2.593 15.082 1.00 60.45 C ATOM 141 OE1 GLN A 8 14.198 -1.981 14.429 1.00 0.42 O ATOM 142 NE2 GLN A 8 12.578 -1.988 15.987 1.00 64.12 N ATOM 0 H GLN A 8 10.427 -4.117 15.724 1.00 2.43 H new ATOM 0 HA GLN A 8 11.190 -2.438 13.580 1.00 41.32 H new ATOM 0 HB2 GLN A 8 11.677 -5.426 13.948 1.00 50.11 H new ATOM 0 HB3 GLN A 8 12.521 -4.393 12.812 1.00 50.11 H new ATOM 0 HG2 GLN A 8 12.799 -4.544 15.814 1.00 31.12 H new ATOM 0 HG3 GLN A 8 14.048 -4.570 14.585 1.00 31.12 H new ATOM 0 HE21 GLN A 8 11.886 -2.526 16.509 1.00 64.12 H new ATOM 0 HE22 GLN A 8 12.680 -0.988 16.157 1.00 64.12 H new ATOM 151 N ILE A 9 9.303 -5.049 12.668 1.00 1.54 N ATOM 152 CA ILE A 9 8.356 -5.525 11.642 1.00 2.10 C ATOM 153 C ILE A 9 7.088 -4.640 11.601 1.00 5.12 C ATOM 154 O ILE A 9 6.659 -4.235 10.531 1.00 12.05 O ATOM 155 CB ILE A 9 7.894 -7.009 11.865 1.00 4.31 C ATOM 156 CG1 ILE A 9 9.054 -7.931 12.340 1.00 71.21 C ATOM 157 CG2 ILE A 9 7.250 -7.572 10.565 1.00 4.42 C ATOM 158 CD1 ILE A 9 8.565 -9.312 12.719 1.00 1.33 C ATOM 0 H ILE A 9 9.488 -5.722 13.412 1.00 1.54 H new ATOM 0 HA ILE A 9 8.903 -5.467 10.701 1.00 2.10 H new ATOM 0 HB ILE A 9 7.151 -6.998 12.663 1.00 4.31 H new ATOM 0 HG12 ILE A 9 9.797 -8.015 11.547 1.00 71.21 H new ATOM 0 HG13 ILE A 9 9.551 -7.475 13.196 1.00 71.21 H new ATOM 0 HG21 ILE A 9 6.934 -8.602 10.732 1.00 4.42 H new ATOM 0 HG22 ILE A 9 6.385 -6.966 10.295 1.00 4.42 H new ATOM 0 HG23 ILE A 9 7.980 -7.543 9.756 1.00 4.42 H new ATOM 0 HD11 ILE A 9 9.409 -9.920 13.044 1.00 1.33 H new ATOM 0 HD12 ILE A 9 7.842 -9.232 13.530 1.00 1.33 H new ATOM 0 HD13 ILE A 9 8.092 -9.780 11.856 1.00 1.33 H new ATOM 170 N LEU A 10 6.515 -4.358 12.800 1.00 71.32 N ATOM 171 CA LEU A 10 5.247 -3.600 12.962 1.00 64.12 C ATOM 172 C LEU A 10 5.404 -2.147 12.462 1.00 41.34 C ATOM 173 O LEU A 10 4.426 -1.542 12.049 1.00 12.13 O ATOM 174 CB LEU A 10 4.759 -3.662 14.456 1.00 53.14 C ATOM 175 CG LEU A 10 3.212 -3.543 14.761 1.00 2.25 C ATOM 176 CD1 LEU A 10 2.641 -2.120 14.553 1.00 24.34 C ATOM 177 CD2 LEU A 10 2.394 -4.596 13.966 1.00 63.34 C ATOM 0 H LEU A 10 6.923 -4.652 13.687 1.00 71.32 H new ATOM 0 HA LEU A 10 4.479 -4.066 12.346 1.00 64.12 H new ATOM 0 HB2 LEU A 10 5.106 -4.606 14.877 1.00 53.14 H new ATOM 0 HB3 LEU A 10 5.264 -2.865 15.001 1.00 53.14 H new ATOM 0 HG LEU A 10 3.108 -3.754 15.825 1.00 2.25 H new ATOM 0 HD11 LEU A 10 1.575 -2.119 14.782 1.00 24.34 H new ATOM 0 HD12 LEU A 10 3.155 -1.422 15.213 1.00 24.34 H new ATOM 0 HD13 LEU A 10 2.790 -1.816 13.517 1.00 24.34 H new ATOM 0 HD21 LEU A 10 1.335 -4.486 14.199 1.00 63.34 H new ATOM 0 HD22 LEU A 10 2.548 -4.445 12.897 1.00 63.34 H new ATOM 0 HD23 LEU A 10 2.724 -5.597 14.242 1.00 63.34 H new ATOM 189 N ALA A 11 6.639 -1.603 12.482 1.00 42.30 N ATOM 190 CA ALA A 11 6.923 -0.279 11.890 1.00 23.43 C ATOM 191 C ALA A 11 6.665 -0.309 10.381 1.00 35.35 C ATOM 192 O ALA A 11 5.958 0.555 9.849 1.00 3.50 O ATOM 193 CB ALA A 11 8.357 0.181 12.175 1.00 54.14 C ATOM 0 H ALA A 11 7.451 -2.057 12.899 1.00 42.30 H new ATOM 0 HA ALA A 11 6.251 0.441 12.357 1.00 23.43 H new ATOM 0 HB1 ALA A 11 8.522 1.158 11.722 1.00 54.14 H new ATOM 0 HB2 ALA A 11 8.510 0.250 13.252 1.00 54.14 H new ATOM 0 HB3 ALA A 11 9.060 -0.538 11.754 1.00 54.14 H new ATOM 199 N GLU A 12 7.223 -1.338 9.706 1.00 63.34 N ATOM 200 CA GLU A 12 7.019 -1.528 8.262 1.00 3.33 C ATOM 201 C GLU A 12 5.576 -1.986 7.984 1.00 54.21 C ATOM 202 O GLU A 12 4.998 -1.574 7.010 1.00 35.34 O ATOM 203 CB GLU A 12 8.031 -2.545 7.671 1.00 24.53 C ATOM 204 CG GLU A 12 7.959 -2.661 6.126 1.00 71.40 C ATOM 205 CD GLU A 12 8.968 -3.649 5.527 1.00 24.45 C ATOM 206 OE1 GLU A 12 8.611 -4.827 5.314 1.00 34.45 O ATOM 207 OE2 GLU A 12 10.127 -3.257 5.271 1.00 34.32 O ATOM 0 H GLU A 12 7.816 -2.045 10.141 1.00 63.34 H new ATOM 0 HA GLU A 12 7.190 -0.569 7.773 1.00 3.33 H new ATOM 0 HB2 GLU A 12 9.040 -2.251 7.959 1.00 24.53 H new ATOM 0 HB3 GLU A 12 7.847 -3.526 8.110 1.00 24.53 H new ATOM 0 HG2 GLU A 12 6.953 -2.968 5.841 1.00 71.40 H new ATOM 0 HG3 GLU A 12 8.127 -1.676 5.690 1.00 71.40 H new ATOM 214 N ASN A 13 4.995 -2.767 8.907 1.00 14.53 N ATOM 215 CA ASN A 13 3.666 -3.403 8.748 1.00 41.54 C ATOM 216 C ASN A 13 2.541 -2.344 8.815 1.00 60.14 C ATOM 217 O ASN A 13 1.619 -2.356 7.992 1.00 42.53 O ATOM 218 CB ASN A 13 3.484 -4.477 9.853 1.00 72.04 C ATOM 219 CG ASN A 13 2.144 -5.210 9.813 1.00 51.31 C ATOM 220 OD1 ASN A 13 1.152 -4.726 10.354 1.00 61.30 O ATOM 221 ND2 ASN A 13 2.102 -6.394 9.211 1.00 54.33 N ATOM 0 H ASN A 13 5.437 -2.982 9.801 1.00 14.53 H new ATOM 0 HA ASN A 13 3.607 -3.881 7.770 1.00 41.54 H new ATOM 0 HB2 ASN A 13 4.287 -5.209 9.765 1.00 72.04 H new ATOM 0 HB3 ASN A 13 3.593 -4.000 10.827 1.00 72.04 H new ATOM 0 HD21 ASN A 13 1.231 -6.925 9.190 1.00 54.33 H new ATOM 0 HD22 ASN A 13 2.940 -6.772 8.770 1.00 54.33 H new ATOM 228 N GLU A 14 2.656 -1.422 9.794 1.00 35.20 N ATOM 229 CA GLU A 14 1.763 -0.257 9.926 1.00 63.41 C ATOM 230 C GLU A 14 1.941 0.662 8.709 1.00 1.21 C ATOM 231 O GLU A 14 0.954 1.157 8.149 1.00 23.51 O ATOM 232 CB GLU A 14 2.030 0.512 11.274 1.00 32.44 C ATOM 233 CG GLU A 14 1.960 2.055 11.161 1.00 63.55 C ATOM 234 CD GLU A 14 1.985 2.797 12.505 1.00 21.24 C ATOM 235 OE1 GLU A 14 3.085 3.005 13.063 1.00 14.34 O ATOM 236 OE2 GLU A 14 0.911 3.201 12.996 1.00 40.01 O ATOM 0 H GLU A 14 3.374 -1.467 10.517 1.00 35.20 H new ATOM 0 HA GLU A 14 0.729 -0.601 9.956 1.00 63.41 H new ATOM 0 HB2 GLU A 14 1.303 0.182 12.016 1.00 32.44 H new ATOM 0 HB3 GLU A 14 3.015 0.233 11.647 1.00 32.44 H new ATOM 0 HG2 GLU A 14 2.798 2.400 10.555 1.00 63.55 H new ATOM 0 HG3 GLU A 14 1.048 2.326 10.628 1.00 63.55 H new ATOM 243 N LYS A 15 3.219 0.868 8.313 1.00 62.45 N ATOM 244 CA LYS A 15 3.564 1.635 7.112 1.00 34.21 C ATOM 245 C LYS A 15 2.879 1.028 5.879 1.00 20.32 C ATOM 246 O LYS A 15 2.294 1.751 5.099 1.00 12.12 O ATOM 247 CB LYS A 15 5.095 1.660 6.877 1.00 40.44 C ATOM 248 CG LYS A 15 5.542 2.447 5.607 1.00 3.54 C ATOM 249 CD LYS A 15 6.853 1.910 4.977 1.00 43.13 C ATOM 250 CE LYS A 15 6.689 0.502 4.360 1.00 34.21 C ATOM 251 NZ LYS A 15 7.969 0.015 3.758 1.00 21.43 N ATOM 0 H LYS A 15 4.028 0.507 8.818 1.00 62.45 H new ATOM 0 HA LYS A 15 3.216 2.657 7.265 1.00 34.21 H new ATOM 0 HB2 LYS A 15 5.577 2.100 7.750 1.00 40.44 H new ATOM 0 HB3 LYS A 15 5.454 0.634 6.798 1.00 40.44 H new ATOM 0 HG2 LYS A 15 4.746 2.403 4.863 1.00 3.54 H new ATOM 0 HG3 LYS A 15 5.677 3.497 5.868 1.00 3.54 H new ATOM 0 HD2 LYS A 15 7.190 2.602 4.206 1.00 43.13 H new ATOM 0 HD3 LYS A 15 7.631 1.879 5.740 1.00 43.13 H new ATOM 0 HE2 LYS A 15 6.358 -0.197 5.128 1.00 34.21 H new ATOM 0 HE3 LYS A 15 5.912 0.527 3.596 1.00 34.21 H new ATOM 0 HZ1 LYS A 15 7.838 -0.952 3.398 1.00 21.43 H new ATOM 0 HZ2 LYS A 15 8.245 0.641 2.975 1.00 21.43 H new ATOM 0 HZ3 LYS A 15 8.716 0.017 4.482 1.00 21.43 H new ATOM 265 N LEU A 16 2.909 -0.315 5.785 1.00 63.54 N ATOM 266 CA LEU A 16 2.343 -1.073 4.658 1.00 74.35 C ATOM 267 C LEU A 16 0.816 -0.941 4.622 1.00 4.05 C ATOM 268 O LEU A 16 0.225 -0.889 3.550 1.00 2.13 O ATOM 269 CB LEU A 16 2.762 -2.563 4.724 1.00 13.44 C ATOM 270 CG LEU A 16 4.258 -2.863 4.406 1.00 62.41 C ATOM 271 CD1 LEU A 16 4.612 -4.333 4.677 1.00 1.50 C ATOM 272 CD2 LEU A 16 4.603 -2.464 2.971 1.00 12.45 C ATOM 0 H LEU A 16 3.332 -0.909 6.498 1.00 63.54 H new ATOM 0 HA LEU A 16 2.743 -0.650 3.737 1.00 74.35 H new ATOM 0 HB2 LEU A 16 2.540 -2.939 5.723 1.00 13.44 H new ATOM 0 HB3 LEU A 16 2.142 -3.126 4.026 1.00 13.44 H new ATOM 0 HG LEU A 16 4.865 -2.256 5.078 1.00 62.41 H new ATOM 0 HD11 LEU A 16 5.663 -4.503 4.444 1.00 1.50 H new ATOM 0 HD12 LEU A 16 4.432 -4.563 5.727 1.00 1.50 H new ATOM 0 HD13 LEU A 16 3.993 -4.977 4.053 1.00 1.50 H new ATOM 0 HD21 LEU A 16 5.652 -2.684 2.775 1.00 12.45 H new ATOM 0 HD22 LEU A 16 3.979 -3.026 2.277 1.00 12.45 H new ATOM 0 HD23 LEU A 16 4.424 -1.397 2.837 1.00 12.45 H new ATOM 284 N LYS A 17 0.208 -0.852 5.807 1.00 33.15 N ATOM 285 CA LYS A 17 -1.231 -0.594 5.965 1.00 23.14 C ATOM 286 C LYS A 17 -1.556 0.837 5.466 1.00 4.55 C ATOM 287 O LYS A 17 -2.583 1.059 4.803 1.00 50.13 O ATOM 288 CB LYS A 17 -1.607 -0.842 7.461 1.00 15.32 C ATOM 289 CG LYS A 17 -3.072 -0.538 7.906 1.00 11.14 C ATOM 290 CD LYS A 17 -3.326 0.955 8.258 1.00 53.44 C ATOM 291 CE LYS A 17 -2.320 1.508 9.291 1.00 72.24 C ATOM 292 NZ LYS A 17 -2.648 2.905 9.697 1.00 33.14 N ATOM 0 H LYS A 17 0.702 -0.957 6.693 1.00 33.15 H new ATOM 0 HA LYS A 17 -1.836 -1.269 5.360 1.00 23.14 H new ATOM 0 HB2 LYS A 17 -1.398 -1.887 7.689 1.00 15.32 H new ATOM 0 HB3 LYS A 17 -0.939 -0.241 8.078 1.00 15.32 H new ATOM 0 HG2 LYS A 17 -3.753 -0.834 7.108 1.00 11.14 H new ATOM 0 HG3 LYS A 17 -3.313 -1.152 8.774 1.00 11.14 H new ATOM 0 HD2 LYS A 17 -3.270 1.552 7.348 1.00 53.44 H new ATOM 0 HD3 LYS A 17 -4.338 1.064 8.649 1.00 53.44 H new ATOM 0 HE2 LYS A 17 -2.315 0.866 10.172 1.00 72.24 H new ATOM 0 HE3 LYS A 17 -1.315 1.479 8.870 1.00 72.24 H new ATOM 0 HZ1 LYS A 17 -1.949 3.238 10.391 1.00 33.14 H new ATOM 0 HZ2 LYS A 17 -2.628 3.523 8.861 1.00 33.14 H new ATOM 0 HZ3 LYS A 17 -3.597 2.929 10.123 1.00 33.14 H new ATOM 306 N ALA A 18 -0.630 1.777 5.730 1.00 64.43 N ATOM 307 CA ALA A 18 -0.818 3.196 5.415 1.00 41.11 C ATOM 308 C ALA A 18 -0.718 3.424 3.901 1.00 33.30 C ATOM 309 O ALA A 18 -1.656 3.919 3.286 1.00 42.43 O ATOM 310 CB ALA A 18 0.216 4.050 6.172 1.00 15.21 C ATOM 0 H ALA A 18 0.268 1.569 6.168 1.00 64.43 H new ATOM 0 HA ALA A 18 -1.813 3.501 5.738 1.00 41.11 H new ATOM 0 HB1 ALA A 18 0.066 5.102 5.930 1.00 15.21 H new ATOM 0 HB2 ALA A 18 0.093 3.904 7.245 1.00 15.21 H new ATOM 0 HB3 ALA A 18 1.222 3.750 5.878 1.00 15.21 H new ATOM 316 N GLN A 19 0.413 3.001 3.320 1.00 55.14 N ATOM 317 CA GLN A 19 0.742 3.203 1.905 1.00 72.14 C ATOM 318 C GLN A 19 -0.174 2.408 0.982 1.00 1.52 C ATOM 319 O GLN A 19 -0.410 2.835 -0.141 1.00 70.33 O ATOM 320 CB GLN A 19 2.228 2.836 1.670 1.00 73.23 C ATOM 321 CG GLN A 19 2.630 1.405 2.123 1.00 45.02 C ATOM 322 CD GLN A 19 2.647 0.331 1.038 1.00 1.32 C ATOM 323 OE1 GLN A 19 3.576 0.256 0.241 1.00 62.14 O ATOM 324 NE2 GLN A 19 1.674 -0.575 1.067 1.00 2.23 N ATOM 0 H GLN A 19 1.138 2.499 3.832 1.00 55.14 H new ATOM 0 HA GLN A 19 0.585 4.254 1.662 1.00 72.14 H new ATOM 0 HB2 GLN A 19 2.449 2.940 0.608 1.00 73.23 H new ATOM 0 HB3 GLN A 19 2.853 3.557 2.198 1.00 73.23 H new ATOM 0 HG2 GLN A 19 3.622 1.454 2.571 1.00 45.02 H new ATOM 0 HG3 GLN A 19 1.942 1.088 2.907 1.00 45.02 H new ATOM 0 HE21 GLN A 19 0.914 -0.486 1.742 1.00 2.23 H new ATOM 0 HE22 GLN A 19 1.688 -1.359 0.415 1.00 2.23 H new ATOM 333 N LEU A 20 -0.673 1.236 1.451 1.00 34.35 N ATOM 334 CA LEU A 20 -1.663 0.461 0.671 1.00 12.41 C ATOM 335 C LEU A 20 -2.963 1.246 0.633 1.00 53.33 C ATOM 336 O LEU A 20 -3.611 1.308 -0.406 1.00 65.05 O ATOM 337 CB LEU A 20 -1.886 -0.990 1.221 1.00 2.53 C ATOM 338 CG LEU A 20 -2.989 -1.257 2.339 1.00 1.20 C ATOM 339 CD1 LEU A 20 -4.405 -1.451 1.739 1.00 65.31 C ATOM 340 CD2 LEU A 20 -2.635 -2.469 3.215 1.00 53.21 C ATOM 0 H LEU A 20 -0.412 0.817 2.344 1.00 34.35 H new ATOM 0 HA LEU A 20 -1.274 0.325 -0.338 1.00 12.41 H new ATOM 0 HB2 LEU A 20 -2.127 -1.626 0.369 1.00 2.53 H new ATOM 0 HB3 LEU A 20 -0.932 -1.337 1.618 1.00 2.53 H new ATOM 0 HG LEU A 20 -3.000 -0.362 2.961 1.00 1.20 H new ATOM 0 HD11 LEU A 20 -5.119 -1.630 2.543 1.00 65.31 H new ATOM 0 HD12 LEU A 20 -4.693 -0.555 1.190 1.00 65.31 H new ATOM 0 HD13 LEU A 20 -4.399 -2.305 1.062 1.00 65.31 H new ATOM 0 HD21 LEU A 20 -3.413 -2.616 3.964 1.00 53.21 H new ATOM 0 HD22 LEU A 20 -2.559 -3.359 2.591 1.00 53.21 H new ATOM 0 HD23 LEU A 20 -1.681 -2.292 3.712 1.00 53.21 H new ATOM 352 N HIS A 21 -3.336 1.830 1.803 1.00 44.13 N ATOM 353 CA HIS A 21 -4.557 2.628 1.935 1.00 44.00 C ATOM 354 C HIS A 21 -4.503 3.804 0.960 1.00 41.33 C ATOM 355 O HIS A 21 -5.468 4.041 0.256 1.00 51.31 O ATOM 356 CB HIS A 21 -4.764 3.111 3.394 1.00 53.32 C ATOM 357 CG HIS A 21 -6.016 3.927 3.589 1.00 12.35 C ATOM 358 ND1 HIS A 21 -6.006 5.300 3.691 1.00 71.01 N ATOM 359 CD2 HIS A 21 -7.320 3.561 3.695 1.00 25.14 C ATOM 360 CE1 HIS A 21 -7.234 5.739 3.850 1.00 73.55 C ATOM 361 NE2 HIS A 21 -8.047 4.710 3.856 1.00 13.20 N ATOM 0 H HIS A 21 -2.796 1.755 2.665 1.00 44.13 H new ATOM 0 HA HIS A 21 -5.415 2.003 1.687 1.00 44.00 H new ATOM 0 HB2 HIS A 21 -4.800 2.244 4.053 1.00 53.32 H new ATOM 0 HB3 HIS A 21 -3.902 3.706 3.696 1.00 53.32 H new ATOM 0 HD2 HIS A 21 -7.709 2.554 3.659 1.00 25.14 H new ATOM 0 HE1 HIS A 21 -7.525 6.773 3.958 1.00 73.55 H new ATOM 0 HE2 HIS A 21 -9.060 4.758 3.964 1.00 13.20 H new ATOM 370 N ASP A 22 -3.334 4.476 0.888 1.00 11.42 N ATOM 371 CA ASP A 22 -3.096 5.562 -0.077 1.00 72.02 C ATOM 372 C ASP A 22 -3.256 5.042 -1.512 1.00 14.52 C ATOM 373 O ASP A 22 -4.030 5.604 -2.281 1.00 43.42 O ATOM 374 CB ASP A 22 -1.684 6.179 0.097 1.00 61.33 C ATOM 375 CG ASP A 22 -1.498 6.904 1.433 1.00 73.21 C ATOM 376 OD1 ASP A 22 -0.721 6.432 2.281 1.00 52.13 O ATOM 377 OD2 ASP A 22 -2.144 7.948 1.649 1.00 62.41 O ATOM 0 H ASP A 22 -2.537 4.280 1.494 1.00 11.42 H new ATOM 0 HA ASP A 22 -3.835 6.340 0.115 1.00 72.02 H new ATOM 0 HB2 ASP A 22 -0.938 5.389 0.014 1.00 61.33 H new ATOM 0 HB3 ASP A 22 -1.499 6.880 -0.717 1.00 61.33 H new ATOM 382 N THR A 23 -2.559 3.921 -1.820 1.00 34.54 N ATOM 383 CA THR A 23 -2.529 3.323 -3.169 1.00 4.33 C ATOM 384 C THR A 23 -3.938 2.880 -3.629 1.00 61.53 C ATOM 385 O THR A 23 -4.241 2.935 -4.807 1.00 41.41 O ATOM 386 CB THR A 23 -1.523 2.128 -3.245 1.00 43.34 C ATOM 387 OG1 THR A 23 -0.231 2.553 -2.797 1.00 64.21 O ATOM 388 CG2 THR A 23 -1.390 1.567 -4.674 1.00 3.32 C ATOM 0 H THR A 23 -2.002 3.409 -1.136 1.00 34.54 H new ATOM 0 HA THR A 23 -2.183 4.099 -3.852 1.00 4.33 H new ATOM 0 HB THR A 23 -1.914 1.338 -2.604 1.00 43.34 H new ATOM 0 HG1 THR A 23 -0.170 2.444 -1.825 1.00 64.21 H new ATOM 0 HG21 THR A 23 -0.681 0.739 -4.675 1.00 3.32 H new ATOM 0 HG22 THR A 23 -2.362 1.213 -5.018 1.00 3.32 H new ATOM 0 HG23 THR A 23 -1.033 2.352 -5.341 1.00 3.32 H new ATOM 396 N ASN A 24 -4.785 2.494 -2.665 1.00 54.24 N ATOM 397 CA ASN A 24 -6.180 2.080 -2.906 1.00 42.22 C ATOM 398 C ASN A 24 -7.078 3.307 -3.140 1.00 74.11 C ATOM 399 O ASN A 24 -7.915 3.295 -4.045 1.00 71.03 O ATOM 400 CB ASN A 24 -6.695 1.215 -1.709 1.00 24.32 C ATOM 401 CG ASN A 24 -6.422 -0.287 -1.884 1.00 21.30 C ATOM 402 OD1 ASN A 24 -7.311 -1.043 -2.270 1.00 45.11 O ATOM 403 ND2 ASN A 24 -5.181 -0.713 -1.707 1.00 23.24 N ATOM 0 H ASN A 24 -4.520 2.459 -1.681 1.00 54.24 H new ATOM 0 HA ASN A 24 -6.218 1.470 -3.808 1.00 42.22 H new ATOM 0 HB2 ASN A 24 -6.220 1.559 -0.790 1.00 24.32 H new ATOM 0 HB3 ASN A 24 -7.767 1.371 -1.591 1.00 24.32 H new ATOM 0 HD21 ASN A 24 -4.945 -1.688 -1.892 1.00 23.24 H new ATOM 0 HD22 ASN A 24 -4.461 -0.066 -1.386 1.00 23.24 H new ATOM 410 N MET A 25 -6.888 4.367 -2.325 1.00 15.32 N ATOM 411 CA MET A 25 -7.638 5.635 -2.460 1.00 4.52 C ATOM 412 C MET A 25 -7.335 6.324 -3.800 1.00 34.02 C ATOM 413 O MET A 25 -8.240 6.874 -4.434 1.00 64.32 O ATOM 414 CB MET A 25 -7.293 6.586 -1.284 1.00 65.11 C ATOM 415 CG MET A 25 -7.696 6.050 0.098 1.00 32.33 C ATOM 416 SD MET A 25 -9.476 5.999 0.386 1.00 4.14 S ATOM 417 CE MET A 25 -9.921 7.724 0.236 1.00 61.44 C ATOM 0 H MET A 25 -6.214 4.369 -1.559 1.00 15.32 H new ATOM 0 HA MET A 25 -8.702 5.400 -2.434 1.00 4.52 H new ATOM 0 HB2 MET A 25 -6.220 6.777 -1.289 1.00 65.11 H new ATOM 0 HB3 MET A 25 -7.788 7.543 -1.448 1.00 65.11 H new ATOM 0 HG2 MET A 25 -7.292 5.045 0.217 1.00 32.33 H new ATOM 0 HG3 MET A 25 -7.234 6.672 0.865 1.00 32.33 H new ATOM 0 HE1 MET A 25 -10.888 7.893 0.709 1.00 61.44 H new ATOM 0 HE2 MET A 25 -9.166 8.339 0.726 1.00 61.44 H new ATOM 0 HE3 MET A 25 -9.981 7.994 -0.818 1.00 61.44 H new ATOM 427 N GLU A 26 -6.055 6.260 -4.220 1.00 73.54 N ATOM 428 CA GLU A 26 -5.577 6.898 -5.457 1.00 23.04 C ATOM 429 C GLU A 26 -5.797 5.970 -6.668 1.00 15.24 C ATOM 430 O GLU A 26 -5.828 6.442 -7.797 1.00 32.43 O ATOM 431 CB GLU A 26 -4.090 7.333 -5.306 1.00 70.20 C ATOM 432 CG GLU A 26 -3.060 6.187 -5.238 1.00 53.11 C ATOM 433 CD GLU A 26 -1.651 6.621 -4.766 1.00 43.31 C ATOM 434 OE1 GLU A 26 -1.505 6.974 -3.581 1.00 32.32 O ATOM 435 OE2 GLU A 26 -0.693 6.570 -5.559 1.00 14.11 O ATOM 0 H GLU A 26 -5.326 5.763 -3.708 1.00 73.54 H new ATOM 0 HA GLU A 26 -6.160 7.801 -5.639 1.00 23.04 H new ATOM 0 HB2 GLU A 26 -3.833 7.978 -6.146 1.00 70.20 H new ATOM 0 HB3 GLU A 26 -3.997 7.934 -4.402 1.00 70.20 H new ATOM 0 HG2 GLU A 26 -3.435 5.417 -4.563 1.00 53.11 H new ATOM 0 HG3 GLU A 26 -2.975 5.732 -6.225 1.00 53.11 H new ATOM 442 N LEU A 27 -5.965 4.650 -6.420 1.00 35.10 N ATOM 443 CA LEU A 27 -6.425 3.696 -7.443 1.00 25.12 C ATOM 444 C LEU A 27 -7.870 4.033 -7.818 1.00 52.04 C ATOM 445 O LEU A 27 -8.197 4.121 -8.993 1.00 3.13 O ATOM 446 CB LEU A 27 -6.303 2.256 -6.878 1.00 31.22 C ATOM 447 CG LEU A 27 -6.533 1.033 -7.836 1.00 64.35 C ATOM 448 CD1 LEU A 27 -5.947 -0.232 -7.197 1.00 11.33 C ATOM 449 CD2 LEU A 27 -8.025 0.791 -8.188 1.00 11.23 C ATOM 0 H LEU A 27 -5.786 4.224 -5.511 1.00 35.10 H new ATOM 0 HA LEU A 27 -5.813 3.762 -8.343 1.00 25.12 H new ATOM 0 HB2 LEU A 27 -5.305 2.155 -6.451 1.00 31.22 H new ATOM 0 HB3 LEU A 27 -7.012 2.166 -6.055 1.00 31.22 H new ATOM 0 HG LEU A 27 -6.027 1.269 -8.772 1.00 64.35 H new ATOM 0 HD11 LEU A 27 -6.106 -1.082 -7.861 1.00 11.33 H new ATOM 0 HD12 LEU A 27 -4.878 -0.095 -7.032 1.00 11.33 H new ATOM 0 HD13 LEU A 27 -6.440 -0.420 -6.243 1.00 11.33 H new ATOM 0 HD21 LEU A 27 -8.107 -0.069 -8.853 1.00 11.23 H new ATOM 0 HD22 LEU A 27 -8.588 0.599 -7.275 1.00 11.23 H new ATOM 0 HD23 LEU A 27 -8.429 1.673 -8.684 1.00 11.23 H new ATOM 461 N THR A 28 -8.719 4.229 -6.785 1.00 61.23 N ATOM 462 CA THR A 28 -10.160 4.493 -6.953 1.00 40.03 C ATOM 463 C THR A 28 -10.399 5.935 -7.461 1.00 35.32 C ATOM 464 O THR A 28 -11.369 6.200 -8.183 1.00 23.32 O ATOM 465 CB THR A 28 -10.917 4.237 -5.609 1.00 24.31 C ATOM 466 OG1 THR A 28 -10.558 2.936 -5.107 1.00 64.25 O ATOM 467 CG2 THR A 28 -12.453 4.303 -5.765 1.00 73.42 C ATOM 0 H THR A 28 -8.421 4.208 -5.810 1.00 61.23 H new ATOM 0 HA THR A 28 -10.554 3.808 -7.704 1.00 40.03 H new ATOM 0 HB THR A 28 -10.622 5.026 -4.917 1.00 24.31 H new ATOM 0 HG1 THR A 28 -9.663 2.974 -4.709 1.00 64.25 H new ATOM 0 HG21 THR A 28 -12.925 4.118 -4.800 1.00 73.42 H new ATOM 0 HG22 THR A 28 -12.740 5.291 -6.126 1.00 73.42 H new ATOM 0 HG23 THR A 28 -12.779 3.547 -6.480 1.00 73.42 H new ATOM 475 N ASP A 29 -9.477 6.843 -7.080 1.00 42.05 N ATOM 476 CA ASP A 29 -9.425 8.225 -7.582 1.00 5.31 C ATOM 477 C ASP A 29 -9.193 8.209 -9.098 1.00 74.20 C ATOM 478 O ASP A 29 -10.044 8.683 -9.868 1.00 14.44 O ATOM 479 CB ASP A 29 -8.288 9.015 -6.863 1.00 30.13 C ATOM 480 CG ASP A 29 -8.053 10.431 -7.425 1.00 31.02 C ATOM 481 OD1 ASP A 29 -8.936 11.298 -7.242 1.00 32.41 O ATOM 482 OD2 ASP A 29 -6.982 10.695 -8.029 1.00 71.23 O ATOM 0 H ASP A 29 -8.740 6.631 -6.407 1.00 42.05 H new ATOM 0 HA ASP A 29 -10.372 8.722 -7.373 1.00 5.31 H new ATOM 0 HB2 ASP A 29 -8.528 9.092 -5.803 1.00 30.13 H new ATOM 0 HB3 ASP A 29 -7.361 8.447 -6.940 1.00 30.13 H new ATOM 487 N LEU A 30 -8.048 7.605 -9.499 1.00 42.31 N ATOM 488 CA LEU A 30 -7.660 7.457 -10.910 1.00 22.32 C ATOM 489 C LEU A 30 -8.745 6.712 -11.714 1.00 74.12 C ATOM 490 O LEU A 30 -9.054 7.129 -12.801 1.00 3.43 O ATOM 491 CB LEU A 30 -6.273 6.754 -11.052 1.00 54.40 C ATOM 492 CG LEU A 30 -5.020 7.687 -11.160 1.00 50.20 C ATOM 493 CD1 LEU A 30 -4.841 8.556 -9.903 1.00 61.50 C ATOM 494 CD2 LEU A 30 -3.749 6.868 -11.469 1.00 4.14 C ATOM 0 H LEU A 30 -7.371 7.209 -8.847 1.00 42.31 H new ATOM 0 HA LEU A 30 -7.565 8.459 -11.328 1.00 22.32 H new ATOM 0 HB2 LEU A 30 -6.135 6.097 -10.193 1.00 54.40 H new ATOM 0 HB3 LEU A 30 -6.302 6.119 -11.938 1.00 54.40 H new ATOM 0 HG LEU A 30 -5.190 8.369 -11.993 1.00 50.20 H new ATOM 0 HD11 LEU A 30 -3.961 9.188 -10.020 1.00 61.50 H new ATOM 0 HD12 LEU A 30 -5.722 9.183 -9.766 1.00 61.50 H new ATOM 0 HD13 LEU A 30 -4.713 7.914 -9.032 1.00 61.50 H new ATOM 0 HD21 LEU A 30 -2.892 7.538 -11.539 1.00 4.14 H new ATOM 0 HD22 LEU A 30 -3.579 6.145 -10.671 1.00 4.14 H new ATOM 0 HD23 LEU A 30 -3.876 6.342 -12.415 1.00 4.14 H new ATOM 506 N LYS A 31 -9.333 5.651 -11.122 1.00 30.43 N ATOM 507 CA LYS A 31 -10.427 4.835 -11.717 1.00 5.54 C ATOM 508 C LYS A 31 -11.607 5.720 -12.173 1.00 21.22 C ATOM 509 O LYS A 31 -11.995 5.712 -13.372 1.00 63.13 O ATOM 510 CB LYS A 31 -10.854 3.774 -10.632 1.00 50.32 C ATOM 511 CG LYS A 31 -12.284 3.186 -10.707 1.00 72.33 C ATOM 512 CD LYS A 31 -12.521 2.277 -11.928 1.00 42.04 C ATOM 513 CE LYS A 31 -13.955 1.729 -11.971 1.00 41.50 C ATOM 514 NZ LYS A 31 -14.205 0.939 -13.205 1.00 1.15 N ATOM 0 H LYS A 31 -9.058 5.326 -10.195 1.00 30.43 H new ATOM 0 HA LYS A 31 -10.086 4.325 -12.618 1.00 5.54 H new ATOM 0 HB2 LYS A 31 -10.150 2.944 -10.683 1.00 50.32 H new ATOM 0 HB3 LYS A 31 -10.734 4.234 -9.651 1.00 50.32 H new ATOM 0 HG2 LYS A 31 -12.480 2.616 -9.799 1.00 72.33 H new ATOM 0 HG3 LYS A 31 -13.003 4.005 -10.731 1.00 72.33 H new ATOM 0 HD2 LYS A 31 -12.320 2.837 -12.841 1.00 42.04 H new ATOM 0 HD3 LYS A 31 -11.816 1.446 -11.903 1.00 42.04 H new ATOM 0 HE2 LYS A 31 -14.132 1.103 -11.096 1.00 41.50 H new ATOM 0 HE3 LYS A 31 -14.663 2.557 -11.919 1.00 41.50 H new ATOM 0 HZ1 LYS A 31 -15.183 0.585 -13.199 1.00 1.15 H new ATOM 0 HZ2 LYS A 31 -14.061 1.543 -14.039 1.00 1.15 H new ATOM 0 HZ3 LYS A 31 -13.546 0.135 -13.242 1.00 1.15 H new ATOM 528 N LEU A 32 -12.086 6.538 -11.219 1.00 3.21 N ATOM 529 CA LEU A 32 -13.278 7.376 -11.369 1.00 74.03 C ATOM 530 C LEU A 32 -13.094 8.365 -12.529 1.00 14.20 C ATOM 531 O LEU A 32 -13.829 8.325 -13.532 1.00 34.20 O ATOM 532 CB LEU A 32 -13.533 8.129 -10.032 1.00 2.02 C ATOM 533 CG LEU A 32 -14.858 8.947 -9.929 1.00 73.22 C ATOM 534 CD1 LEU A 32 -16.087 8.018 -9.976 1.00 4.45 C ATOM 535 CD2 LEU A 32 -14.868 9.832 -8.663 1.00 3.34 C ATOM 0 H LEU A 32 -11.643 6.633 -10.305 1.00 3.21 H new ATOM 0 HA LEU A 32 -14.141 6.752 -11.601 1.00 74.03 H new ATOM 0 HB2 LEU A 32 -13.520 7.399 -9.223 1.00 2.02 H new ATOM 0 HB3 LEU A 32 -12.699 8.810 -9.861 1.00 2.02 H new ATOM 0 HG LEU A 32 -14.912 9.609 -10.793 1.00 73.22 H new ATOM 0 HD11 LEU A 32 -16.997 8.614 -9.902 1.00 4.45 H new ATOM 0 HD12 LEU A 32 -16.090 7.466 -10.916 1.00 4.45 H new ATOM 0 HD13 LEU A 32 -16.045 7.316 -9.143 1.00 4.45 H new ATOM 0 HD21 LEU A 32 -15.803 10.391 -8.617 1.00 3.34 H new ATOM 0 HD22 LEU A 32 -14.778 9.202 -7.778 1.00 3.34 H new ATOM 0 HD23 LEU A 32 -14.030 10.529 -8.699 1.00 3.34 H new ATOM 547 N GLN A 33 -12.037 9.182 -12.420 1.00 22.22 N ATOM 548 CA GLN A 33 -11.715 10.205 -13.420 1.00 35.44 C ATOM 549 C GLN A 33 -11.312 9.579 -14.779 1.00 55.42 C ATOM 550 O GLN A 33 -11.639 10.143 -15.841 1.00 43.24 O ATOM 551 CB GLN A 33 -10.582 11.123 -12.896 1.00 14.41 C ATOM 552 CG GLN A 33 -9.289 10.367 -12.551 1.00 13.12 C ATOM 553 CD GLN A 33 -8.038 11.217 -12.420 1.00 54.24 C ATOM 554 OE1 GLN A 33 -8.081 12.393 -12.055 1.00 53.42 O ATOM 555 NE2 GLN A 33 -6.908 10.588 -12.680 1.00 52.24 N ATOM 0 H GLN A 33 -11.384 9.151 -11.637 1.00 22.22 H new ATOM 0 HA GLN A 33 -12.614 10.798 -13.587 1.00 35.44 H new ATOM 0 HB2 GLN A 33 -10.361 11.880 -13.649 1.00 14.41 H new ATOM 0 HB3 GLN A 33 -10.933 11.650 -12.009 1.00 14.41 H new ATOM 0 HG2 GLN A 33 -9.442 9.834 -11.613 1.00 13.12 H new ATOM 0 HG3 GLN A 33 -9.115 9.615 -13.320 1.00 13.12 H new ATOM 0 HE21 GLN A 33 -6.924 9.613 -12.980 1.00 52.24 H new ATOM 0 HE22 GLN A 33 -6.018 11.077 -12.581 1.00 52.24 H new ATOM 564 N LEU A 34 -10.658 8.387 -14.736 1.00 30.13 N ATOM 565 CA LEU A 34 -10.115 7.712 -15.940 1.00 70.13 C ATOM 566 C LEU A 34 -11.211 7.579 -16.967 1.00 21.14 C ATOM 567 O LEU A 34 -11.134 8.237 -18.019 1.00 61.14 O ATOM 568 CB LEU A 34 -9.508 6.313 -15.577 1.00 52.13 C ATOM 569 CG LEU A 34 -8.789 5.461 -16.694 1.00 30.15 C ATOM 570 CD1 LEU A 34 -9.723 4.449 -17.398 1.00 21.41 C ATOM 571 CD2 LEU A 34 -8.086 6.362 -17.719 1.00 40.42 C ATOM 0 H LEU A 34 -10.495 7.872 -13.871 1.00 30.13 H new ATOM 0 HA LEU A 34 -9.307 8.314 -16.355 1.00 70.13 H new ATOM 0 HB2 LEU A 34 -8.789 6.468 -14.772 1.00 52.13 H new ATOM 0 HB3 LEU A 34 -10.315 5.703 -15.171 1.00 52.13 H new ATOM 0 HG LEU A 34 -8.036 4.869 -16.174 1.00 30.15 H new ATOM 0 HD11 LEU A 34 -9.161 3.899 -18.153 1.00 21.41 H new ATOM 0 HD12 LEU A 34 -10.123 3.750 -16.663 1.00 21.41 H new ATOM 0 HD13 LEU A 34 -10.545 4.983 -17.875 1.00 21.41 H new ATOM 0 HD21 LEU A 34 -7.601 5.744 -18.474 1.00 40.42 H new ATOM 0 HD22 LEU A 34 -8.820 7.010 -18.197 1.00 40.42 H new ATOM 0 HD23 LEU A 34 -7.337 6.972 -17.214 1.00 40.42 H new ATOM 774 N PHE B 102 9.144 -15.648 21.663 1.00 10.11 N ATOM 775 CA PHE B 102 8.946 -14.466 20.805 1.00 4.22 C ATOM 776 C PHE B 102 9.146 -14.761 19.303 1.00 14.20 C ATOM 777 O PHE B 102 8.878 -13.887 18.464 1.00 54.13 O ATOM 778 CB PHE B 102 9.906 -13.347 21.259 1.00 60.34 C ATOM 779 CG PHE B 102 9.717 -12.881 22.712 1.00 42.44 C ATOM 780 CD1 PHE B 102 10.424 -13.477 23.761 1.00 12.23 C ATOM 781 CD2 PHE B 102 8.857 -11.826 23.026 1.00 32.21 C ATOM 782 CE1 PHE B 102 10.269 -13.043 25.063 1.00 41.31 C ATOM 783 CE2 PHE B 102 8.704 -11.395 24.326 1.00 52.32 C ATOM 784 CZ PHE B 102 9.413 -12.000 25.345 1.00 54.23 C ATOM 0 HA PHE B 102 7.908 -14.153 20.918 1.00 4.22 H new ATOM 0 HB2 PHE B 102 10.931 -13.696 21.135 1.00 60.34 H new ATOM 0 HB3 PHE B 102 9.779 -12.489 20.598 1.00 60.34 H new ATOM 0 HD1 PHE B 102 11.103 -14.290 23.550 1.00 12.23 H new ATOM 0 HD2 PHE B 102 8.303 -11.340 22.237 1.00 32.21 H new ATOM 0 HE1 PHE B 102 10.819 -13.521 25.860 1.00 41.31 H new ATOM 0 HE2 PHE B 102 8.028 -10.582 24.548 1.00 52.32 H new ATOM 0 HZ PHE B 102 9.297 -11.656 26.362 1.00 54.23 H new ATOM 794 N LYS B 103 9.602 -15.988 18.957 1.00 43.50 N ATOM 795 CA LYS B 103 9.768 -16.387 17.549 1.00 74.01 C ATOM 796 C LYS B 103 8.413 -16.323 16.816 1.00 35.52 C ATOM 797 O LYS B 103 8.367 -15.954 15.639 1.00 64.54 O ATOM 798 CB LYS B 103 10.427 -17.794 17.395 1.00 24.24 C ATOM 799 CG LYS B 103 9.501 -19.021 17.605 1.00 54.53 C ATOM 800 CD LYS B 103 9.091 -19.292 19.075 1.00 40.35 C ATOM 801 CE LYS B 103 10.147 -20.101 19.859 1.00 4.21 C ATOM 802 NZ LYS B 103 11.446 -19.381 20.036 1.00 4.22 N ATOM 0 H LYS B 103 9.858 -16.710 19.631 1.00 43.50 H new ATOM 0 HA LYS B 103 10.455 -15.677 17.088 1.00 74.01 H new ATOM 0 HB2 LYS B 103 10.859 -17.860 16.397 1.00 24.24 H new ATOM 0 HB3 LYS B 103 11.251 -17.864 18.105 1.00 24.24 H new ATOM 0 HG2 LYS B 103 8.597 -18.880 17.012 1.00 54.53 H new ATOM 0 HG3 LYS B 103 10.003 -19.906 17.215 1.00 54.53 H new ATOM 0 HD2 LYS B 103 8.922 -18.341 19.580 1.00 40.35 H new ATOM 0 HD3 LYS B 103 8.145 -19.832 19.088 1.00 40.35 H new ATOM 0 HE2 LYS B 103 9.744 -20.352 20.840 1.00 4.21 H new ATOM 0 HE3 LYS B 103 10.331 -21.041 19.339 1.00 4.21 H new ATOM 0 HZ1 LYS B 103 11.942 -19.759 20.869 1.00 4.22 H new ATOM 0 HZ2 LYS B 103 12.036 -19.517 19.191 1.00 4.22 H new ATOM 0 HZ3 LYS B 103 11.265 -18.366 20.172 1.00 4.22 H new ATOM 816 N LYS B 104 7.309 -16.653 17.542 1.00 21.05 N ATOM 817 CA LYS B 104 5.960 -16.552 16.977 1.00 10.14 C ATOM 818 C LYS B 104 5.610 -15.091 16.649 1.00 44.43 C ATOM 819 O LYS B 104 4.992 -14.861 15.620 1.00 55.54 O ATOM 820 CB LYS B 104 4.874 -17.178 17.893 1.00 74.34 C ATOM 821 CG LYS B 104 4.628 -16.476 19.269 1.00 44.35 C ATOM 822 CD LYS B 104 3.165 -15.963 19.471 1.00 70.13 C ATOM 823 CE LYS B 104 2.825 -14.705 18.651 1.00 25.35 C ATOM 824 NZ LYS B 104 1.432 -14.221 18.890 1.00 20.23 N ATOM 0 H LYS B 104 7.339 -16.986 18.506 1.00 21.05 H new ATOM 0 HA LYS B 104 5.968 -17.131 16.054 1.00 10.14 H new ATOM 0 HB2 LYS B 104 3.932 -17.192 17.344 1.00 74.34 H new ATOM 0 HB3 LYS B 104 5.147 -18.216 18.084 1.00 74.34 H new ATOM 0 HG2 LYS B 104 4.870 -17.175 20.070 1.00 44.35 H new ATOM 0 HG3 LYS B 104 5.313 -15.634 19.363 1.00 44.35 H new ATOM 0 HD2 LYS B 104 2.471 -16.759 19.201 1.00 70.13 H new ATOM 0 HD3 LYS B 104 3.009 -15.749 20.528 1.00 70.13 H new ATOM 0 HE2 LYS B 104 3.529 -13.912 18.902 1.00 25.35 H new ATOM 0 HE3 LYS B 104 2.953 -14.922 17.590 1.00 25.35 H new ATOM 0 HZ1 LYS B 104 1.255 -13.373 18.314 1.00 20.23 H new ATOM 0 HZ2 LYS B 104 0.756 -14.966 18.626 1.00 20.23 H new ATOM 0 HZ3 LYS B 104 1.314 -13.987 19.896 1.00 20.23 H new ATOM 838 N LEU B 105 6.010 -14.108 17.521 1.00 14.32 N ATOM 839 CA LEU B 105 5.669 -12.678 17.297 1.00 2.41 C ATOM 840 C LEU B 105 6.253 -12.255 15.955 1.00 75.42 C ATOM 841 O LEU B 105 5.574 -11.582 15.156 1.00 35.33 O ATOM 842 CB LEU B 105 6.124 -11.736 18.500 1.00 4.55 C ATOM 843 CG LEU B 105 7.524 -10.974 18.449 1.00 63.15 C ATOM 844 CD1 LEU B 105 7.534 -9.761 17.488 1.00 53.22 C ATOM 845 CD2 LEU B 105 7.957 -10.501 19.843 1.00 35.43 C ATOM 0 H LEU B 105 6.556 -14.283 18.364 1.00 14.32 H new ATOM 0 HA LEU B 105 4.585 -12.566 17.268 1.00 2.41 H new ATOM 0 HB2 LEU B 105 5.350 -10.979 18.625 1.00 4.55 H new ATOM 0 HB3 LEU B 105 6.123 -12.346 19.404 1.00 4.55 H new ATOM 0 HG LEU B 105 8.230 -11.710 18.066 1.00 63.15 H new ATOM 0 HD11 LEU B 105 8.518 -9.292 17.505 1.00 53.22 H new ATOM 0 HD12 LEU B 105 7.309 -10.097 16.476 1.00 53.22 H new ATOM 0 HD13 LEU B 105 6.782 -9.039 17.806 1.00 53.22 H new ATOM 0 HD21 LEU B 105 8.915 -9.986 19.771 1.00 35.43 H new ATOM 0 HD22 LEU B 105 7.208 -9.819 20.245 1.00 35.43 H new ATOM 0 HD23 LEU B 105 8.057 -11.362 20.505 1.00 35.43 H new ATOM 857 N TYR B 106 7.522 -12.693 15.719 1.00 35.40 N ATOM 858 CA TYR B 106 8.223 -12.430 14.466 1.00 33.21 C ATOM 859 C TYR B 106 7.391 -12.967 13.293 1.00 34.51 C ATOM 860 O TYR B 106 6.985 -12.204 12.438 1.00 41.21 O ATOM 861 CB TYR B 106 9.646 -13.052 14.469 1.00 22.42 C ATOM 862 CG TYR B 106 10.550 -12.544 13.330 1.00 1.43 C ATOM 863 CD1 TYR B 106 11.241 -11.343 13.461 1.00 53.43 C ATOM 864 CD2 TYR B 106 10.704 -13.245 12.129 1.00 4.33 C ATOM 865 CE1 TYR B 106 12.049 -10.853 12.457 1.00 12.22 C ATOM 866 CE2 TYR B 106 11.519 -12.764 11.118 1.00 71.44 C ATOM 867 CZ TYR B 106 12.190 -11.567 11.286 1.00 74.11 C ATOM 868 OH TYR B 106 13.006 -11.090 10.280 1.00 44.42 O ATOM 0 H TYR B 106 8.067 -13.230 16.394 1.00 35.40 H new ATOM 0 HA TYR B 106 8.346 -11.353 14.355 1.00 33.21 H new ATOM 0 HB2 TYR B 106 10.125 -12.836 15.424 1.00 22.42 H new ATOM 0 HB3 TYR B 106 9.559 -14.136 14.395 1.00 22.42 H new ATOM 0 HD1 TYR B 106 11.141 -10.778 14.376 1.00 53.43 H new ATOM 0 HD2 TYR B 106 10.178 -14.178 11.988 1.00 4.33 H new ATOM 0 HE1 TYR B 106 12.569 -9.915 12.587 1.00 12.22 H new ATOM 0 HE2 TYR B 106 11.630 -13.323 10.200 1.00 71.44 H new ATOM 0 HH TYR B 106 12.994 -11.715 9.525 1.00 44.42 H new ATOM 878 N GLU B 107 7.067 -14.263 13.351 1.00 63.01 N ATOM 879 CA GLU B 107 6.412 -14.999 12.259 1.00 2.22 C ATOM 880 C GLU B 107 5.004 -14.472 11.934 1.00 43.50 C ATOM 881 O GLU B 107 4.621 -14.461 10.770 1.00 52.30 O ATOM 882 CB GLU B 107 6.346 -16.498 12.639 1.00 15.31 C ATOM 883 CG GLU B 107 7.715 -17.197 12.756 1.00 40.00 C ATOM 884 CD GLU B 107 8.573 -17.158 11.472 1.00 4.31 C ATOM 885 OE1 GLU B 107 9.461 -16.281 11.349 1.00 23.10 O ATOM 886 OE2 GLU B 107 8.382 -18.027 10.592 1.00 1.42 O ATOM 0 H GLU B 107 7.255 -14.841 14.170 1.00 63.01 H new ATOM 0 HA GLU B 107 7.007 -14.853 11.357 1.00 2.22 H new ATOM 0 HB2 GLU B 107 5.822 -16.594 13.590 1.00 15.31 H new ATOM 0 HB3 GLU B 107 5.749 -17.022 11.892 1.00 15.31 H new ATOM 0 HG2 GLU B 107 8.277 -16.732 13.566 1.00 40.00 H new ATOM 0 HG3 GLU B 107 7.553 -18.238 13.037 1.00 40.00 H new ATOM 893 N GLN B 108 4.234 -14.069 12.967 1.00 21.51 N ATOM 894 CA GLN B 108 2.836 -13.604 12.782 1.00 35.15 C ATOM 895 C GLN B 108 2.791 -12.243 12.075 1.00 53.25 C ATOM 896 O GLN B 108 2.123 -12.111 11.035 1.00 11.11 O ATOM 897 CB GLN B 108 2.047 -13.518 14.121 1.00 42.22 C ATOM 898 CG GLN B 108 1.969 -14.823 14.952 1.00 20.25 C ATOM 899 CD GLN B 108 1.828 -16.103 14.125 1.00 51.11 C ATOM 900 OE1 GLN B 108 0.724 -16.555 13.816 1.00 20.54 O ATOM 901 NE2 GLN B 108 2.965 -16.692 13.765 1.00 21.44 N ATOM 0 H GLN B 108 4.552 -14.055 13.936 1.00 21.51 H new ATOM 0 HA GLN B 108 2.352 -14.355 12.157 1.00 35.15 H new ATOM 0 HB2 GLN B 108 2.503 -12.745 14.739 1.00 42.22 H new ATOM 0 HB3 GLN B 108 1.031 -13.191 13.900 1.00 42.22 H new ATOM 0 HG2 GLN B 108 2.867 -14.901 15.566 1.00 20.25 H new ATOM 0 HG3 GLN B 108 1.122 -14.753 15.634 1.00 20.25 H new ATOM 0 HE21 GLN B 108 3.859 -16.286 14.041 1.00 21.44 H new ATOM 0 HE22 GLN B 108 2.943 -17.549 13.213 1.00 21.44 H new ATOM 910 N ILE B 109 3.494 -11.229 12.654 1.00 75.31 N ATOM 911 CA ILE B 109 3.548 -9.878 12.059 1.00 2.51 C ATOM 912 C ILE B 109 4.190 -9.941 10.652 1.00 34.40 C ATOM 913 O ILE B 109 3.745 -9.256 9.743 1.00 31.45 O ATOM 914 CB ILE B 109 4.351 -8.841 12.934 1.00 21.23 C ATOM 915 CG1 ILE B 109 3.923 -8.871 14.433 1.00 24.34 C ATOM 916 CG2 ILE B 109 4.185 -7.404 12.368 1.00 33.51 C ATOM 917 CD1 ILE B 109 4.779 -7.982 15.320 1.00 11.25 C ATOM 0 H ILE B 109 4.022 -11.327 13.521 1.00 75.31 H new ATOM 0 HA ILE B 109 2.516 -9.532 12.002 1.00 2.51 H new ATOM 0 HB ILE B 109 5.400 -9.133 12.884 1.00 21.23 H new ATOM 0 HG12 ILE B 109 2.882 -8.558 14.513 1.00 24.34 H new ATOM 0 HG13 ILE B 109 3.976 -9.897 14.799 1.00 24.34 H new ATOM 0 HG21 ILE B 109 4.746 -6.703 12.985 1.00 33.51 H new ATOM 0 HG22 ILE B 109 4.562 -7.370 11.346 1.00 33.51 H new ATOM 0 HG23 ILE B 109 3.130 -7.130 12.375 1.00 33.51 H new ATOM 0 HD11 ILE B 109 4.428 -8.049 16.350 1.00 11.25 H new ATOM 0 HD12 ILE B 109 5.818 -8.309 15.269 1.00 11.25 H new ATOM 0 HD13 ILE B 109 4.706 -6.949 14.979 1.00 11.25 H new ATOM 929 N LEU B 110 5.232 -10.797 10.507 1.00 61.31 N ATOM 930 CA LEU B 110 5.994 -10.969 9.247 1.00 23.22 C ATOM 931 C LEU B 110 5.148 -11.711 8.200 1.00 74.52 C ATOM 932 O LEU B 110 5.307 -11.463 7.017 1.00 21.32 O ATOM 933 CB LEU B 110 7.357 -11.697 9.528 1.00 13.14 C ATOM 934 CG LEU B 110 8.508 -11.595 8.457 1.00 3.40 C ATOM 935 CD1 LEU B 110 8.319 -12.565 7.266 1.00 3.41 C ATOM 936 CD2 LEU B 110 8.686 -10.135 7.972 1.00 43.31 C ATOM 0 H LEU B 110 5.568 -11.390 11.266 1.00 61.31 H new ATOM 0 HA LEU B 110 6.227 -9.987 8.836 1.00 23.22 H new ATOM 0 HB2 LEU B 110 7.748 -11.313 10.470 1.00 13.14 H new ATOM 0 HB3 LEU B 110 7.141 -12.754 9.680 1.00 13.14 H new ATOM 0 HG LEU B 110 9.425 -11.907 8.958 1.00 3.40 H new ATOM 0 HD11 LEU B 110 9.145 -12.445 6.565 1.00 3.41 H new ATOM 0 HD12 LEU B 110 8.300 -13.591 7.632 1.00 3.41 H new ATOM 0 HD13 LEU B 110 7.379 -12.342 6.761 1.00 3.41 H new ATOM 0 HD21 LEU B 110 9.486 -10.092 7.233 1.00 43.31 H new ATOM 0 HD22 LEU B 110 7.757 -9.786 7.521 1.00 43.31 H new ATOM 0 HD23 LEU B 110 8.940 -9.498 8.820 1.00 43.31 H new ATOM 948 N ALA B 111 4.252 -12.610 8.644 1.00 61.12 N ATOM 949 CA ALA B 111 3.297 -13.289 7.739 1.00 70.54 C ATOM 950 C ALA B 111 2.361 -12.253 7.083 1.00 73.21 C ATOM 951 O ALA B 111 2.162 -12.265 5.862 1.00 72.34 O ATOM 952 CB ALA B 111 2.489 -14.357 8.495 1.00 34.35 C ATOM 0 H ALA B 111 4.166 -12.886 9.622 1.00 61.12 H new ATOM 0 HA ALA B 111 3.861 -13.793 6.954 1.00 70.54 H new ATOM 0 HB1 ALA B 111 1.795 -14.841 7.809 1.00 34.35 H new ATOM 0 HB2 ALA B 111 3.169 -15.102 8.909 1.00 34.35 H new ATOM 0 HB3 ALA B 111 1.930 -13.886 9.304 1.00 34.35 H new ATOM 958 N GLU B 112 1.828 -11.333 7.920 1.00 44.54 N ATOM 959 CA GLU B 112 0.974 -10.228 7.455 1.00 75.45 C ATOM 960 C GLU B 112 1.792 -9.236 6.593 1.00 33.34 C ATOM 961 O GLU B 112 1.336 -8.802 5.554 1.00 23.33 O ATOM 962 CB GLU B 112 0.344 -9.473 8.657 1.00 30.03 C ATOM 963 CG GLU B 112 -0.698 -8.382 8.270 1.00 22.03 C ATOM 964 CD GLU B 112 -2.116 -8.920 7.983 1.00 3.11 C ATOM 965 OE1 GLU B 112 -3.087 -8.450 8.613 1.00 14.33 O ATOM 966 OE2 GLU B 112 -2.269 -9.817 7.136 1.00 24.41 O ATOM 0 H GLU B 112 1.979 -11.340 8.929 1.00 44.54 H new ATOM 0 HA GLU B 112 0.175 -10.656 6.849 1.00 75.45 H new ATOM 0 HB2 GLU B 112 -0.138 -10.199 9.312 1.00 30.03 H new ATOM 0 HB3 GLU B 112 1.142 -9.005 9.233 1.00 30.03 H new ATOM 0 HG2 GLU B 112 -0.757 -7.652 9.078 1.00 22.03 H new ATOM 0 HG3 GLU B 112 -0.339 -7.852 7.387 1.00 22.03 H new ATOM 973 N ASN B 113 3.017 -8.936 7.049 1.00 22.45 N ATOM 974 CA ASN B 113 3.945 -7.948 6.436 1.00 62.23 C ATOM 975 C ASN B 113 4.355 -8.374 5.005 1.00 21.04 C ATOM 976 O ASN B 113 4.327 -7.563 4.067 1.00 55.11 O ATOM 977 CB ASN B 113 5.177 -7.828 7.375 1.00 34.23 C ATOM 978 CG ASN B 113 6.303 -6.919 6.888 1.00 42.44 C ATOM 979 OD1 ASN B 113 7.217 -7.370 6.206 1.00 65.45 O ATOM 980 ND2 ASN B 113 6.272 -5.644 7.257 1.00 13.30 N ATOM 0 H ASN B 113 3.410 -9.382 7.878 1.00 22.45 H new ATOM 0 HA ASN B 113 3.457 -6.979 6.332 1.00 62.23 H new ATOM 0 HB2 ASN B 113 4.836 -7.464 8.344 1.00 34.23 H new ATOM 0 HB3 ASN B 113 5.586 -8.826 7.535 1.00 34.23 H new ATOM 0 HD21 ASN B 113 7.021 -5.013 6.973 1.00 13.30 H new ATOM 0 HD22 ASN B 113 5.499 -5.296 7.824 1.00 13.30 H new ATOM 987 N GLU B 114 4.706 -9.666 4.874 1.00 70.12 N ATOM 988 CA GLU B 114 4.957 -10.347 3.590 1.00 63.52 C ATOM 989 C GLU B 114 3.744 -10.199 2.663 1.00 34.24 C ATOM 990 O GLU B 114 3.883 -9.804 1.497 1.00 50.14 O ATOM 991 CB GLU B 114 5.280 -11.861 3.863 1.00 73.11 C ATOM 992 CG GLU B 114 4.776 -12.850 2.789 1.00 4.32 C ATOM 993 CD GLU B 114 5.216 -14.301 3.038 1.00 63.41 C ATOM 994 OE1 GLU B 114 4.513 -15.020 3.778 1.00 2.52 O ATOM 995 OE2 GLU B 114 6.263 -14.726 2.510 1.00 32.34 O ATOM 0 H GLU B 114 4.826 -10.281 5.678 1.00 70.12 H new ATOM 0 HA GLU B 114 5.812 -9.889 3.092 1.00 63.52 H new ATOM 0 HB2 GLU B 114 6.360 -11.973 3.958 1.00 73.11 H new ATOM 0 HB3 GLU B 114 4.845 -12.140 4.823 1.00 73.11 H new ATOM 0 HG2 GLU B 114 3.687 -12.810 2.752 1.00 4.32 H new ATOM 0 HG3 GLU B 114 5.140 -12.531 1.813 1.00 4.32 H new ATOM 1002 N LYS B 115 2.555 -10.506 3.221 1.00 72.44 N ATOM 1003 CA LYS B 115 1.289 -10.425 2.495 1.00 64.10 C ATOM 1004 C LYS B 115 1.015 -8.979 2.053 1.00 24.12 C ATOM 1005 O LYS B 115 0.519 -8.754 0.957 1.00 63.41 O ATOM 1006 CB LYS B 115 0.113 -10.919 3.372 1.00 11.13 C ATOM 1007 CG LYS B 115 -1.259 -10.971 2.628 1.00 72.11 C ATOM 1008 CD LYS B 115 -2.468 -10.639 3.532 1.00 35.14 C ATOM 1009 CE LYS B 115 -2.470 -9.164 3.969 1.00 33.02 C ATOM 1010 NZ LYS B 115 -3.668 -8.835 4.789 1.00 33.34 N ATOM 0 H LYS B 115 2.455 -10.816 4.188 1.00 72.44 H new ATOM 0 HA LYS B 115 1.370 -11.066 1.617 1.00 64.10 H new ATOM 0 HB2 LYS B 115 0.348 -11.915 3.749 1.00 11.13 H new ATOM 0 HB3 LYS B 115 0.020 -10.264 4.238 1.00 11.13 H new ATOM 0 HG2 LYS B 115 -1.237 -10.270 1.794 1.00 72.11 H new ATOM 0 HG3 LYS B 115 -1.395 -11.966 2.205 1.00 72.11 H new ATOM 0 HD2 LYS B 115 -3.392 -10.861 2.998 1.00 35.14 H new ATOM 0 HD3 LYS B 115 -2.448 -11.279 4.414 1.00 35.14 H new ATOM 0 HE2 LYS B 115 -1.567 -8.953 4.542 1.00 33.02 H new ATOM 0 HE3 LYS B 115 -2.445 -8.523 3.088 1.00 33.02 H new ATOM 0 HZ1 LYS B 115 -3.862 -7.815 4.727 1.00 33.34 H new ATOM 0 HZ2 LYS B 115 -4.489 -9.366 4.433 1.00 33.34 H new ATOM 0 HZ3 LYS B 115 -3.492 -9.094 5.781 1.00 33.34 H new ATOM 1024 N LEU B 116 1.390 -8.014 2.916 1.00 65.55 N ATOM 1025 CA LEU B 116 1.145 -6.589 2.681 1.00 34.43 C ATOM 1026 C LEU B 116 2.059 -6.041 1.563 1.00 72.34 C ATOM 1027 O LEU B 116 1.717 -5.062 0.902 1.00 54.00 O ATOM 1028 CB LEU B 116 1.278 -5.766 3.991 1.00 51.03 C ATOM 1029 CG LEU B 116 0.159 -5.984 5.066 1.00 44.02 C ATOM 1030 CD1 LEU B 116 0.445 -5.178 6.354 1.00 71.45 C ATOM 1031 CD2 LEU B 116 -1.239 -5.653 4.508 1.00 62.42 C ATOM 0 H LEU B 116 1.871 -8.207 3.794 1.00 65.55 H new ATOM 0 HA LEU B 116 0.115 -6.482 2.339 1.00 34.43 H new ATOM 0 HB2 LEU B 116 2.240 -6.001 4.446 1.00 51.03 H new ATOM 0 HB3 LEU B 116 1.299 -4.708 3.729 1.00 51.03 H new ATOM 0 HG LEU B 116 0.169 -7.042 5.326 1.00 44.02 H new ATOM 0 HD11 LEU B 116 -0.351 -5.353 7.077 1.00 71.45 H new ATOM 0 HD12 LEU B 116 1.397 -5.496 6.778 1.00 71.45 H new ATOM 0 HD13 LEU B 116 0.491 -4.115 6.116 1.00 71.45 H new ATOM 0 HD21 LEU B 116 -1.988 -5.816 5.283 1.00 62.42 H new ATOM 0 HD22 LEU B 116 -1.267 -4.611 4.191 1.00 62.42 H new ATOM 0 HD23 LEU B 116 -1.452 -6.298 3.655 1.00 62.42 H new ATOM 1043 N LYS B 117 3.202 -6.699 1.337 1.00 11.52 N ATOM 1044 CA LYS B 117 4.100 -6.374 0.204 1.00 60.42 C ATOM 1045 C LYS B 117 3.617 -7.038 -1.101 1.00 52.44 C ATOM 1046 O LYS B 117 3.789 -6.473 -2.194 1.00 32.24 O ATOM 1047 CB LYS B 117 5.573 -6.723 0.566 1.00 51.20 C ATOM 1048 CG LYS B 117 6.202 -5.684 1.539 1.00 42.44 C ATOM 1049 CD LYS B 117 7.584 -6.073 2.106 1.00 21.52 C ATOM 1050 CE LYS B 117 7.532 -7.320 2.999 1.00 54.35 C ATOM 1051 NZ LYS B 117 8.785 -7.480 3.781 1.00 73.21 N ATOM 0 H LYS B 117 3.535 -7.465 1.923 1.00 11.52 H new ATOM 0 HA LYS B 117 4.067 -5.300 0.019 1.00 60.42 H new ATOM 0 HB2 LYS B 117 5.609 -7.713 1.022 1.00 51.20 H new ATOM 0 HB3 LYS B 117 6.168 -6.770 -0.346 1.00 51.20 H new ATOM 0 HG2 LYS B 117 6.295 -4.731 1.018 1.00 42.44 H new ATOM 0 HG3 LYS B 117 5.516 -5.527 2.371 1.00 42.44 H new ATOM 0 HD2 LYS B 117 8.273 -6.252 1.280 1.00 21.52 H new ATOM 0 HD3 LYS B 117 7.984 -5.237 2.680 1.00 21.52 H new ATOM 0 HE2 LYS B 117 6.684 -7.247 3.679 1.00 54.35 H new ATOM 0 HE3 LYS B 117 7.371 -8.204 2.382 1.00 54.35 H new ATOM 0 HZ1 LYS B 117 9.239 -8.381 3.528 1.00 73.21 H new ATOM 0 HZ2 LYS B 117 9.431 -6.694 3.566 1.00 73.21 H new ATOM 0 HZ3 LYS B 117 8.563 -7.478 4.797 1.00 73.21 H new ATOM 1065 N ALA B 118 2.947 -8.196 -0.968 1.00 24.01 N ATOM 1066 CA ALA B 118 2.373 -8.934 -2.112 1.00 61.44 C ATOM 1067 C ALA B 118 1.134 -8.202 -2.659 1.00 33.14 C ATOM 1068 O ALA B 118 0.985 -8.021 -3.878 1.00 55.03 O ATOM 1069 CB ALA B 118 2.020 -10.366 -1.672 1.00 30.15 C ATOM 0 H ALA B 118 2.787 -8.648 -0.068 1.00 24.01 H new ATOM 0 HA ALA B 118 3.108 -8.985 -2.915 1.00 61.44 H new ATOM 0 HB1 ALA B 118 1.596 -10.912 -2.515 1.00 30.15 H new ATOM 0 HB2 ALA B 118 2.921 -10.873 -1.327 1.00 30.15 H new ATOM 0 HB3 ALA B 118 1.292 -10.329 -0.861 1.00 30.15 H new ATOM 1075 N GLN B 119 0.263 -7.766 -1.731 1.00 12.34 N ATOM 1076 CA GLN B 119 -0.994 -7.094 -2.062 1.00 72.51 C ATOM 1077 C GLN B 119 -0.738 -5.664 -2.549 1.00 4.32 C ATOM 1078 O GLN B 119 -1.437 -5.207 -3.444 1.00 33.53 O ATOM 1079 CB GLN B 119 -1.970 -7.122 -0.845 1.00 64.05 C ATOM 1080 CG GLN B 119 -1.480 -6.377 0.419 1.00 11.41 C ATOM 1081 CD GLN B 119 -1.787 -4.882 0.472 1.00 35.22 C ATOM 1082 OE1 GLN B 119 -0.893 -4.124 1.080 1.00 70.40 O flip ATOM 1083 NE2 GLN B 119 -2.792 -4.405 -0.041 1.00 40.21 N flip ATOM 0 H GLN B 119 0.417 -7.873 -0.728 1.00 12.34 H new ATOM 0 HA GLN B 119 -1.470 -7.636 -2.880 1.00 72.51 H new ATOM 0 HB2 GLN B 119 -2.921 -6.689 -1.155 1.00 64.05 H new ATOM 0 HB3 GLN B 119 -2.164 -8.162 -0.581 1.00 64.05 H new ATOM 0 HG2 GLN B 119 -1.927 -6.851 1.293 1.00 11.41 H new ATOM 0 HG3 GLN B 119 -0.401 -6.510 0.500 1.00 11.41 H new ATOM 0 HE21 GLN B 119 -3.466 -5.014 -0.504 1.00 40.21 H new ATOM 0 HE22 GLN B 119 -2.955 -3.399 -0.005 1.00 40.21 H new ATOM 1092 N LEU B 120 0.262 -4.953 -1.941 1.00 45.40 N ATOM 1093 CA LEU B 120 0.613 -3.584 -2.382 1.00 12.33 C ATOM 1094 C LEU B 120 1.119 -3.643 -3.822 1.00 74.33 C ATOM 1095 O LEU B 120 0.779 -2.782 -4.623 1.00 41.22 O ATOM 1096 CB LEU B 120 1.651 -2.885 -1.425 1.00 73.14 C ATOM 1097 CG LEU B 120 3.208 -2.962 -1.756 1.00 25.34 C ATOM 1098 CD1 LEU B 120 3.663 -1.869 -2.758 1.00 32.52 C ATOM 1099 CD2 LEU B 120 4.069 -2.874 -0.490 1.00 51.33 C ATOM 0 H LEU B 120 0.821 -5.304 -1.163 1.00 45.40 H new ATOM 0 HA LEU B 120 -0.283 -2.965 -2.337 1.00 12.33 H new ATOM 0 HB2 LEU B 120 1.382 -1.830 -1.368 1.00 73.14 H new ATOM 0 HB3 LEU B 120 1.509 -3.304 -0.429 1.00 73.14 H new ATOM 0 HG LEU B 120 3.355 -3.937 -2.222 1.00 25.34 H new ATOM 0 HD11 LEU B 120 4.732 -1.970 -2.946 1.00 32.52 H new ATOM 0 HD12 LEU B 120 3.117 -1.984 -3.695 1.00 32.52 H new ATOM 0 HD13 LEU B 120 3.460 -0.884 -2.339 1.00 32.52 H new ATOM 0 HD21 LEU B 120 5.123 -2.930 -0.762 1.00 51.33 H new ATOM 0 HD22 LEU B 120 3.875 -1.929 0.017 1.00 51.33 H new ATOM 0 HD23 LEU B 120 3.822 -3.700 0.176 1.00 51.33 H new ATOM 1111 N HIS B 121 1.928 -4.691 -4.125 1.00 30.33 N ATOM 1112 CA HIS B 121 2.476 -4.926 -5.466 1.00 45.25 C ATOM 1113 C HIS B 121 1.335 -5.062 -6.484 1.00 63.14 C ATOM 1114 O HIS B 121 1.374 -4.434 -7.539 1.00 23.13 O ATOM 1115 CB HIS B 121 3.382 -6.188 -5.462 1.00 30.20 C ATOM 1116 CG HIS B 121 3.905 -6.575 -6.823 1.00 43.00 C ATOM 1117 ND1 HIS B 121 3.530 -7.730 -7.476 1.00 53.22 N ATOM 1118 CD2 HIS B 121 4.775 -5.953 -7.654 1.00 64.13 C ATOM 1119 CE1 HIS B 121 4.149 -7.802 -8.634 1.00 71.02 C ATOM 1120 NE2 HIS B 121 4.904 -6.738 -8.768 1.00 25.44 N ATOM 0 H HIS B 121 2.212 -5.391 -3.439 1.00 30.33 H new ATOM 0 HA HIS B 121 3.090 -4.074 -5.757 1.00 45.25 H new ATOM 0 HB2 HIS B 121 4.227 -6.013 -4.796 1.00 30.20 H new ATOM 0 HB3 HIS B 121 2.819 -7.025 -5.049 1.00 30.20 H new ATOM 0 HD2 HIS B 121 5.274 -5.013 -7.472 1.00 64.13 H new ATOM 0 HE1 HIS B 121 4.052 -8.602 -9.353 1.00 71.02 H new ATOM 0 HE2 HIS B 121 5.493 -6.529 -9.574 1.00 25.44 H new ATOM 1129 N ASP B 122 0.307 -5.853 -6.105 1.00 14.31 N ATOM 1130 CA ASP B 122 -0.904 -6.077 -6.914 1.00 73.44 C ATOM 1131 C ASP B 122 -1.648 -4.745 -7.174 1.00 3.11 C ATOM 1132 O ASP B 122 -1.968 -4.421 -8.320 1.00 55.44 O ATOM 1133 CB ASP B 122 -1.832 -7.104 -6.197 1.00 15.44 C ATOM 1134 CG ASP B 122 -3.103 -7.447 -7.002 1.00 53.11 C ATOM 1135 OD1 ASP B 122 -3.071 -8.402 -7.810 1.00 43.21 O ATOM 1136 OD2 ASP B 122 -4.138 -6.774 -6.830 1.00 33.35 O ATOM 0 H ASP B 122 0.298 -6.358 -5.219 1.00 14.31 H new ATOM 0 HA ASP B 122 -0.611 -6.484 -7.882 1.00 73.44 H new ATOM 0 HB2 ASP B 122 -1.272 -8.020 -6.009 1.00 15.44 H new ATOM 0 HB3 ASP B 122 -2.123 -6.704 -5.226 1.00 15.44 H new ATOM 1141 N THR B 123 -1.855 -3.974 -6.090 1.00 30.22 N ATOM 1142 CA THR B 123 -2.568 -2.682 -6.110 1.00 34.30 C ATOM 1143 C THR B 123 -1.775 -1.619 -6.916 1.00 15.55 C ATOM 1144 O THR B 123 -2.362 -0.716 -7.524 1.00 11.32 O ATOM 1145 CB THR B 123 -2.808 -2.175 -4.640 1.00 53.52 C ATOM 1146 OG1 THR B 123 -3.297 -3.252 -3.828 1.00 2.13 O ATOM 1147 CG2 THR B 123 -3.812 -1.009 -4.560 1.00 31.51 C ATOM 0 H THR B 123 -1.526 -4.235 -5.160 1.00 30.22 H new ATOM 0 HA THR B 123 -3.530 -2.833 -6.600 1.00 34.30 H new ATOM 0 HB THR B 123 -1.846 -1.813 -4.278 1.00 53.52 H new ATOM 0 HG1 THR B 123 -2.554 -3.845 -3.589 1.00 2.13 H new ATOM 0 HG21 THR B 123 -3.934 -0.705 -3.520 1.00 31.51 H new ATOM 0 HG22 THR B 123 -3.439 -0.167 -5.143 1.00 31.51 H new ATOM 0 HG23 THR B 123 -4.774 -1.329 -4.960 1.00 31.51 H new ATOM 1155 N ASN B 124 -0.432 -1.757 -6.922 1.00 71.41 N ATOM 1156 CA ASN B 124 0.469 -0.871 -7.680 1.00 52.05 C ATOM 1157 C ASN B 124 0.401 -1.188 -9.175 1.00 72.32 C ATOM 1158 O ASN B 124 0.505 -0.280 -9.990 1.00 60.34 O ATOM 1159 CB ASN B 124 1.938 -0.981 -7.177 1.00 53.15 C ATOM 1160 CG ASN B 124 2.253 -0.219 -5.876 1.00 42.20 C ATOM 1161 OD1 ASN B 124 1.316 -0.143 -4.939 1.00 31.24 O flip ATOM 1162 ND2 ASN B 124 3.362 0.289 -5.704 1.00 30.41 N flip ATOM 0 H ASN B 124 0.055 -2.486 -6.401 1.00 71.41 H new ATOM 0 HA ASN B 124 0.134 0.153 -7.517 1.00 52.05 H new ATOM 0 HB2 ASN B 124 2.174 -2.034 -7.027 1.00 53.15 H new ATOM 0 HB3 ASN B 124 2.600 -0.615 -7.961 1.00 53.15 H new ATOM 0 HD21 ASN B 124 4.072 0.222 -6.433 1.00 30.41 H new ATOM 0 HD22 ASN B 124 3.570 0.776 -4.832 1.00 30.41 H new ATOM 1169 N MET B 125 0.234 -2.479 -9.527 1.00 22.13 N ATOM 1170 CA MET B 125 0.029 -2.906 -10.924 1.00 31.01 C ATOM 1171 C MET B 125 -1.294 -2.345 -11.476 1.00 1.11 C ATOM 1172 O MET B 125 -1.366 -1.946 -12.643 1.00 12.21 O ATOM 1173 CB MET B 125 0.025 -4.450 -11.019 1.00 1.23 C ATOM 1174 CG MET B 125 1.338 -5.113 -10.583 1.00 35.15 C ATOM 1175 SD MET B 125 2.747 -4.711 -11.639 1.00 62.44 S ATOM 1176 CE MET B 125 2.250 -5.385 -13.228 1.00 23.24 C ATOM 0 H MET B 125 0.237 -3.248 -8.857 1.00 22.13 H new ATOM 0 HA MET B 125 0.851 -2.515 -11.523 1.00 31.01 H new ATOM 0 HB2 MET B 125 -0.786 -4.838 -10.403 1.00 1.23 H new ATOM 0 HB3 MET B 125 -0.190 -4.738 -12.048 1.00 1.23 H new ATOM 0 HG2 MET B 125 1.565 -4.810 -9.561 1.00 35.15 H new ATOM 0 HG3 MET B 125 1.201 -6.194 -10.572 1.00 35.15 H new ATOM 0 HE1 MET B 125 3.114 -5.428 -13.891 1.00 23.24 H new ATOM 0 HE2 MET B 125 1.850 -6.389 -13.088 1.00 23.24 H new ATOM 0 HE3 MET B 125 1.484 -4.748 -13.670 1.00 23.24 H new ATOM 1186 N GLU B 126 -2.326 -2.307 -10.611 1.00 23.54 N ATOM 1187 CA GLU B 126 -3.629 -1.714 -10.948 1.00 14.04 C ATOM 1188 C GLU B 126 -3.488 -0.191 -11.152 1.00 20.04 C ATOM 1189 O GLU B 126 -3.998 0.358 -12.116 1.00 52.31 O ATOM 1190 CB GLU B 126 -4.657 -1.997 -9.832 1.00 10.22 C ATOM 1191 CG GLU B 126 -4.859 -3.475 -9.463 1.00 34.44 C ATOM 1192 CD GLU B 126 -5.983 -3.693 -8.433 1.00 70.32 C ATOM 1193 OE1 GLU B 126 -5.702 -3.682 -7.218 1.00 43.42 O ATOM 1194 OE2 GLU B 126 -7.159 -3.851 -8.842 1.00 33.10 O ATOM 0 H GLU B 126 -2.278 -2.685 -9.665 1.00 23.54 H new ATOM 0 HA GLU B 126 -3.981 -2.167 -11.875 1.00 14.04 H new ATOM 0 HB2 GLU B 126 -4.349 -1.458 -8.936 1.00 10.22 H new ATOM 0 HB3 GLU B 126 -5.619 -1.584 -10.138 1.00 10.22 H new ATOM 0 HG2 GLU B 126 -5.087 -4.041 -10.366 1.00 34.44 H new ATOM 0 HG3 GLU B 126 -3.927 -3.874 -9.064 1.00 34.44 H new ATOM 1201 N LEU B 127 -2.747 0.465 -10.240 1.00 15.31 N ATOM 1202 CA LEU B 127 -2.462 1.917 -10.306 1.00 55.50 C ATOM 1203 C LEU B 127 -1.701 2.269 -11.616 1.00 63.11 C ATOM 1204 O LEU B 127 -1.982 3.292 -12.265 1.00 13.12 O ATOM 1205 CB LEU B 127 -1.638 2.331 -9.056 1.00 53.31 C ATOM 1206 CG LEU B 127 -1.321 3.852 -8.904 1.00 3.12 C ATOM 1207 CD1 LEU B 127 -2.605 4.672 -8.668 1.00 45.13 C ATOM 1208 CD2 LEU B 127 -0.287 4.089 -7.786 1.00 71.12 C ATOM 0 H LEU B 127 -2.326 0.005 -9.433 1.00 15.31 H new ATOM 0 HA LEU B 127 -3.401 2.470 -10.314 1.00 55.50 H new ATOM 0 HB2 LEU B 127 -2.178 2.005 -8.168 1.00 53.31 H new ATOM 0 HB3 LEU B 127 -0.694 1.786 -9.073 1.00 53.31 H new ATOM 0 HG LEU B 127 -0.883 4.198 -9.840 1.00 3.12 H new ATOM 0 HD11 LEU B 127 -2.350 5.727 -8.566 1.00 45.13 H new ATOM 0 HD12 LEU B 127 -3.280 4.542 -9.514 1.00 45.13 H new ATOM 0 HD13 LEU B 127 -3.094 4.328 -7.757 1.00 45.13 H new ATOM 0 HD21 LEU B 127 -0.083 5.156 -7.700 1.00 71.12 H new ATOM 0 HD22 LEU B 127 -0.682 3.717 -6.840 1.00 71.12 H new ATOM 0 HD23 LEU B 127 0.636 3.561 -8.026 1.00 71.12 H new ATOM 1220 N THR B 128 -0.767 1.368 -12.000 1.00 23.21 N ATOM 1221 CA THR B 128 -0.001 1.451 -13.258 1.00 22.11 C ATOM 1222 C THR B 128 -0.948 1.337 -14.479 1.00 74.12 C ATOM 1223 O THR B 128 -0.761 2.023 -15.483 1.00 11.21 O ATOM 1224 CB THR B 128 1.094 0.326 -13.323 1.00 31.44 C ATOM 1225 OG1 THR B 128 1.973 0.433 -12.193 1.00 71.10 O ATOM 1226 CG2 THR B 128 1.931 0.373 -14.617 1.00 42.15 C ATOM 0 H THR B 128 -0.524 0.554 -11.435 1.00 23.21 H new ATOM 0 HA THR B 128 0.496 2.421 -13.285 1.00 22.11 H new ATOM 0 HB THR B 128 0.563 -0.626 -13.311 1.00 31.44 H new ATOM 0 HG1 THR B 128 1.519 0.097 -11.392 1.00 71.10 H new ATOM 0 HG21 THR B 128 2.669 -0.429 -14.602 1.00 42.15 H new ATOM 0 HG22 THR B 128 1.276 0.247 -15.479 1.00 42.15 H new ATOM 0 HG23 THR B 128 2.440 1.334 -14.686 1.00 42.15 H new ATOM 1234 N ASP B 129 -1.969 0.475 -14.351 1.00 21.32 N ATOM 1235 CA ASP B 129 -2.999 0.274 -15.380 1.00 74.31 C ATOM 1236 C ASP B 129 -3.815 1.560 -15.598 1.00 32.51 C ATOM 1237 O ASP B 129 -4.032 1.948 -16.740 1.00 52.31 O ATOM 1238 CB ASP B 129 -3.917 -0.917 -14.981 1.00 64.22 C ATOM 1239 CG ASP B 129 -5.195 -1.040 -15.834 1.00 70.24 C ATOM 1240 OD1 ASP B 129 -5.140 -1.615 -16.940 1.00 43.15 O ATOM 1241 OD2 ASP B 129 -6.261 -0.573 -15.392 1.00 5.15 O ATOM 0 H ASP B 129 -2.103 -0.106 -13.524 1.00 21.32 H new ATOM 0 HA ASP B 129 -2.512 0.034 -16.325 1.00 74.31 H new ATOM 0 HB2 ASP B 129 -3.348 -1.843 -15.062 1.00 64.22 H new ATOM 0 HB3 ASP B 129 -4.201 -0.808 -13.934 1.00 64.22 H new ATOM 1246 N LEU B 130 -4.234 2.233 -14.498 1.00 25.12 N ATOM 1247 CA LEU B 130 -5.062 3.453 -14.588 1.00 23.32 C ATOM 1248 C LEU B 130 -4.315 4.600 -15.289 1.00 20.41 C ATOM 1249 O LEU B 130 -4.895 5.267 -16.160 1.00 53.21 O ATOM 1250 CB LEU B 130 -5.572 3.927 -13.193 1.00 54.15 C ATOM 1251 CG LEU B 130 -6.878 3.252 -12.634 1.00 33.33 C ATOM 1252 CD1 LEU B 130 -7.956 3.078 -13.733 1.00 55.15 C ATOM 1253 CD2 LEU B 130 -6.601 1.935 -11.888 1.00 62.14 C ATOM 0 H LEU B 130 -4.011 1.950 -13.544 1.00 25.12 H new ATOM 0 HA LEU B 130 -5.929 3.183 -15.191 1.00 23.32 H new ATOM 0 HB2 LEU B 130 -4.773 3.766 -12.469 1.00 54.15 H new ATOM 0 HB3 LEU B 130 -5.744 5.002 -13.244 1.00 54.15 H new ATOM 0 HG LEU B 130 -7.280 3.942 -11.892 1.00 33.33 H new ATOM 0 HD11 LEU B 130 -8.841 2.608 -13.304 1.00 55.15 H new ATOM 0 HD12 LEU B 130 -8.224 4.054 -14.138 1.00 55.15 H new ATOM 0 HD13 LEU B 130 -7.563 2.449 -14.532 1.00 55.15 H new ATOM 0 HD21 LEU B 130 -7.540 1.517 -11.526 1.00 62.14 H new ATOM 0 HD22 LEU B 130 -6.126 1.226 -12.566 1.00 62.14 H new ATOM 0 HD23 LEU B 130 -5.940 2.128 -11.043 1.00 62.14 H new ATOM 1265 N LYS B 131 -3.038 4.829 -14.904 1.00 24.20 N ATOM 1266 CA LYS B 131 -2.212 5.904 -15.504 1.00 32.42 C ATOM 1267 C LYS B 131 -1.896 5.575 -16.983 1.00 3.21 C ATOM 1268 O LYS B 131 -1.747 6.485 -17.808 1.00 72.34 O ATOM 1269 CB LYS B 131 -0.911 6.190 -14.661 1.00 44.42 C ATOM 1270 CG LYS B 131 0.196 5.093 -14.680 1.00 3.44 C ATOM 1271 CD LYS B 131 1.162 5.208 -15.894 1.00 13.14 C ATOM 1272 CE LYS B 131 2.040 3.964 -16.079 1.00 25.11 C ATOM 1273 NZ LYS B 131 2.976 3.743 -14.941 1.00 22.33 N ATOM 0 H LYS B 131 -2.559 4.287 -14.185 1.00 24.20 H new ATOM 0 HA LYS B 131 -2.789 6.828 -15.484 1.00 32.42 H new ATOM 0 HB2 LYS B 131 -0.472 7.121 -15.019 1.00 44.42 H new ATOM 0 HB3 LYS B 131 -1.207 6.355 -13.625 1.00 44.42 H new ATOM 0 HG2 LYS B 131 0.774 5.156 -13.758 1.00 3.44 H new ATOM 0 HG3 LYS B 131 -0.277 4.111 -14.694 1.00 3.44 H new ATOM 0 HD2 LYS B 131 0.580 5.374 -16.801 1.00 13.14 H new ATOM 0 HD3 LYS B 131 1.801 6.081 -15.762 1.00 13.14 H new ATOM 0 HE2 LYS B 131 1.401 3.088 -16.194 1.00 25.11 H new ATOM 0 HE3 LYS B 131 2.613 4.063 -17.001 1.00 25.11 H new ATOM 0 HZ1 LYS B 131 3.687 3.033 -15.209 1.00 22.33 H new ATOM 0 HZ2 LYS B 131 3.451 4.637 -14.704 1.00 22.33 H new ATOM 0 HZ3 LYS B 131 2.444 3.404 -14.114 1.00 22.33 H new ATOM 1287 N LEU B 132 -1.798 4.259 -17.299 1.00 75.45 N ATOM 1288 CA LEU B 132 -1.528 3.779 -18.662 1.00 12.01 C ATOM 1289 C LEU B 132 -2.762 3.985 -19.550 1.00 75.41 C ATOM 1290 O LEU B 132 -2.640 4.358 -20.712 1.00 55.22 O ATOM 1291 CB LEU B 132 -1.103 2.289 -18.656 1.00 0.22 C ATOM 1292 CG LEU B 132 -0.704 1.688 -20.047 1.00 74.41 C ATOM 1293 CD1 LEU B 132 0.505 2.425 -20.668 1.00 22.22 C ATOM 1294 CD2 LEU B 132 -0.440 0.175 -19.950 1.00 64.03 C ATOM 0 H LEU B 132 -1.905 3.511 -16.614 1.00 75.45 H new ATOM 0 HA LEU B 132 -0.701 4.360 -19.070 1.00 12.01 H new ATOM 0 HB2 LEU B 132 -0.259 2.174 -17.976 1.00 0.22 H new ATOM 0 HB3 LEU B 132 -1.923 1.698 -18.248 1.00 0.22 H new ATOM 0 HG LEU B 132 -1.553 1.837 -20.714 1.00 74.41 H new ATOM 0 HD11 LEU B 132 0.749 1.977 -21.631 1.00 22.22 H new ATOM 0 HD12 LEU B 132 0.256 3.477 -20.810 1.00 22.22 H new ATOM 0 HD13 LEU B 132 1.363 2.342 -20.002 1.00 22.22 H new ATOM 0 HD21 LEU B 132 -0.166 -0.210 -20.932 1.00 64.03 H new ATOM 0 HD22 LEU B 132 0.374 -0.008 -19.248 1.00 64.03 H new ATOM 0 HD23 LEU B 132 -1.341 -0.330 -19.601 1.00 64.03 H new ATOM 1306 N GLN B 133 -3.957 3.766 -18.983 1.00 0.13 N ATOM 1307 CA GLN B 133 -5.216 4.011 -19.697 1.00 64.20 C ATOM 1308 C GLN B 133 -5.491 5.522 -19.787 1.00 74.32 C ATOM 1309 O GLN B 133 -6.258 5.942 -20.630 1.00 55.41 O ATOM 1310 CB GLN B 133 -6.415 3.284 -19.020 1.00 1.24 C ATOM 1311 CG GLN B 133 -6.295 1.750 -18.924 1.00 74.41 C ATOM 1312 CD GLN B 133 -7.588 1.083 -18.453 1.00 64.13 C ATOM 1313 OE1 GLN B 133 -8.401 0.625 -19.260 1.00 45.32 O ATOM 1314 NE2 GLN B 133 -7.832 1.105 -17.155 1.00 63.12 N ATOM 0 H GLN B 133 -4.077 3.419 -18.031 1.00 0.13 H new ATOM 0 HA GLN B 133 -5.110 3.605 -20.703 1.00 64.20 H new ATOM 0 HB2 GLN B 133 -6.539 3.685 -18.014 1.00 1.24 H new ATOM 0 HB3 GLN B 133 -7.323 3.526 -19.573 1.00 1.24 H new ATOM 0 HG2 GLN B 133 -6.020 1.350 -19.900 1.00 74.41 H new ATOM 0 HG3 GLN B 133 -5.489 1.495 -18.236 1.00 74.41 H new ATOM 0 HE21 GLN B 133 -7.140 1.490 -16.512 1.00 63.12 H new ATOM 0 HE22 GLN B 133 -8.713 0.737 -16.795 1.00 63.12 H new ATOM 1323 N LEU B 134 -4.869 6.311 -18.881 1.00 45.02 N ATOM 1324 CA LEU B 134 -5.030 7.788 -18.799 1.00 12.20 C ATOM 1325 C LEU B 134 -4.383 8.436 -20.044 1.00 2.13 C ATOM 1326 O LEU B 134 -4.965 9.322 -20.708 1.00 3.21 O ATOM 1327 CB LEU B 134 -4.362 8.284 -17.467 1.00 61.14 C ATOM 1328 CG LEU B 134 -4.865 9.621 -16.828 1.00 4.43 C ATOM 1329 CD1 LEU B 134 -6.342 9.524 -16.383 1.00 62.24 C ATOM 1330 CD2 LEU B 134 -3.959 10.029 -15.637 1.00 4.20 C ATOM 0 H LEU B 134 -4.233 5.939 -18.176 1.00 45.02 H new ATOM 0 HA LEU B 134 -6.082 8.073 -18.785 1.00 12.20 H new ATOM 0 HB2 LEU B 134 -4.482 7.496 -16.723 1.00 61.14 H new ATOM 0 HB3 LEU B 134 -3.293 8.387 -17.652 1.00 61.14 H new ATOM 0 HG LEU B 134 -4.806 10.395 -17.594 1.00 4.43 H new ATOM 0 HD11 LEU B 134 -6.653 10.472 -15.945 1.00 62.24 H new ATOM 0 HD12 LEU B 134 -6.968 9.301 -17.247 1.00 62.24 H new ATOM 0 HD13 LEU B 134 -6.448 8.730 -15.643 1.00 62.24 H new ATOM 0 HD21 LEU B 134 -4.324 10.961 -15.205 1.00 4.20 H new ATOM 0 HD22 LEU B 134 -3.979 9.245 -14.879 1.00 4.20 H new ATOM 0 HD23 LEU B 134 -2.937 10.168 -15.988 1.00 4.20 H new