USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 566 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 22 THR OG1 : rot -59:sc= -4.37! USER MOD Set 1.2: A 56 MET CE :methyl -168:sc= -8.34! (180deg=-8.05!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ -112:sc= 0.253 (180deg=-0.00424) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 53:sc= -0.0129 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= -0.114 (180deg=-1.02) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 157:sc= -1.93 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc=-0.00462 (180deg=-0.0204) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= -2.84 K(o=-2.8,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0608) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -44:sc= 1.16 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 0.331 (180deg=-0.817!) USER MOD Single : A 65 SER OG : rot -72:sc= -1.1 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 69 MET CE :methyl 175:sc= -0.373 (180deg=-0.428) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 3.406 -2.028 -1.379 1.00 41.22 N ATOM 19 CA GLN A 2 3.425 -3.485 -1.430 1.00 5.14 C ATOM 20 C GLN A 2 3.047 -3.987 -2.819 1.00 44.43 C ATOM 21 O GLN A 2 2.279 -3.343 -3.534 1.00 52.12 O ATOM 22 CB GLN A 2 2.468 -4.065 -0.387 1.00 62.00 C ATOM 23 CG GLN A 2 2.870 -5.445 0.107 1.00 64.31 C ATOM 24 CD GLN A 2 1.728 -6.180 0.780 1.00 71.23 C ATOM 25 OE1 GLN A 2 0.639 -6.305 0.219 1.00 13.50 O ATOM 26 NE2 GLN A 2 1.971 -6.672 1.989 1.00 72.51 N ATOM 0 HA GLN A 2 4.439 -3.818 -1.208 1.00 5.14 H new ATOM 0 HB2 GLN A 2 2.415 -3.385 0.463 1.00 62.00 H new ATOM 0 HB3 GLN A 2 1.467 -4.119 -0.815 1.00 62.00 H new ATOM 0 HG2 GLN A 2 3.232 -6.036 -0.734 1.00 64.31 H new ATOM 0 HG3 GLN A 2 3.698 -5.348 0.809 1.00 64.31 H new ATOM 0 HE21 GLN A 2 2.888 -6.545 2.416 1.00 72.51 H new ATOM 0 HE22 GLN A 2 1.240 -7.177 2.490 1.00 72.51 H new ATOM 35 N ILE A 3 3.592 -5.139 -3.196 1.00 4.55 N ATOM 36 CA ILE A 3 3.311 -5.726 -4.499 1.00 63.34 C ATOM 37 C ILE A 3 3.237 -7.247 -4.412 1.00 55.24 C ATOM 38 O ILE A 3 3.580 -7.839 -3.389 1.00 3.51 O ATOM 39 CB ILE A 3 4.381 -5.335 -5.536 1.00 10.41 C ATOM 40 CG1 ILE A 3 5.628 -6.206 -5.369 1.00 14.13 C ATOM 41 CG2 ILE A 3 4.736 -3.861 -5.400 1.00 73.41 C ATOM 42 CD1 ILE A 3 6.239 -6.127 -3.987 1.00 70.24 C ATOM 0 H ILE A 3 4.231 -5.684 -2.617 1.00 4.55 H new ATOM 0 HA ILE A 3 2.346 -5.334 -4.819 1.00 63.34 H new ATOM 0 HB ILE A 3 3.976 -5.501 -6.534 1.00 10.41 H new ATOM 0 HG12 ILE A 3 5.369 -7.243 -5.584 1.00 14.13 H new ATOM 0 HG13 ILE A 3 6.373 -5.904 -6.105 1.00 14.13 H new ATOM 0 HG21 ILE A 3 5.493 -3.599 -6.139 1.00 73.41 H new ATOM 0 HG22 ILE A 3 3.845 -3.255 -5.564 1.00 73.41 H new ATOM 0 HG23 ILE A 3 5.125 -3.671 -4.400 1.00 73.41 H new ATOM 0 HD11 ILE A 3 7.119 -6.769 -3.941 1.00 70.24 H new ATOM 0 HD12 ILE A 3 6.530 -5.098 -3.776 1.00 70.24 H new ATOM 0 HD13 ILE A 3 5.510 -6.457 -3.247 1.00 70.24 H new ATOM 54 N PHE A 4 2.787 -7.874 -5.494 1.00 35.51 N ATOM 55 CA PHE A 4 2.667 -9.327 -5.541 1.00 23.13 C ATOM 56 C PHE A 4 3.830 -9.944 -6.313 1.00 1.42 C ATOM 57 O PHE A 4 4.238 -9.431 -7.355 1.00 51.34 O ATOM 58 CB PHE A 4 1.340 -9.731 -6.187 1.00 3.43 C ATOM 59 CG PHE A 4 0.191 -9.768 -5.221 1.00 75.41 C ATOM 60 CD1 PHE A 4 -0.213 -8.621 -4.558 1.00 4.31 C ATOM 61 CD2 PHE A 4 -0.487 -10.952 -4.976 1.00 61.11 C ATOM 62 CE1 PHE A 4 -1.271 -8.652 -3.669 1.00 5.11 C ATOM 63 CE2 PHE A 4 -1.546 -10.989 -4.089 1.00 23.43 C ATOM 64 CZ PHE A 4 -1.937 -9.838 -3.433 1.00 72.33 C ATOM 0 H PHE A 4 2.500 -7.399 -6.350 1.00 35.51 H new ATOM 0 HA PHE A 4 2.693 -9.701 -4.518 1.00 23.13 H new ATOM 0 HB2 PHE A 4 1.107 -9.031 -6.989 1.00 3.43 H new ATOM 0 HB3 PHE A 4 1.452 -10.714 -6.644 1.00 3.43 H new ATOM 0 HD1 PHE A 4 0.305 -7.691 -4.738 1.00 4.31 H new ATOM 0 HD2 PHE A 4 -0.184 -11.856 -5.484 1.00 61.11 H new ATOM 0 HE1 PHE A 4 -1.576 -7.750 -3.160 1.00 5.11 H new ATOM 0 HE2 PHE A 4 -2.068 -11.917 -3.909 1.00 23.43 H new ATOM 0 HZ PHE A 4 -2.762 -9.866 -2.737 1.00 72.33 H new ATOM 74 N ILE A 5 4.359 -11.046 -5.793 1.00 62.11 N ATOM 75 CA ILE A 5 5.474 -11.733 -6.433 1.00 41.22 C ATOM 76 C ILE A 5 5.207 -13.230 -6.545 1.00 14.11 C ATOM 77 O ILE A 5 4.611 -13.834 -5.653 1.00 11.14 O ATOM 78 CB ILE A 5 6.788 -11.514 -5.661 1.00 4.12 C ATOM 79 CG1 ILE A 5 7.126 -10.023 -5.598 1.00 11.25 C ATOM 80 CG2 ILE A 5 7.922 -12.292 -6.313 1.00 12.23 C ATOM 81 CD1 ILE A 5 6.800 -9.386 -4.265 1.00 0.41 C ATOM 0 H ILE A 5 4.034 -11.482 -4.930 1.00 62.11 H new ATOM 0 HA ILE A 5 5.574 -11.309 -7.432 1.00 41.22 H new ATOM 0 HB ILE A 5 6.659 -11.882 -4.643 1.00 4.12 H new ATOM 0 HG12 ILE A 5 8.188 -9.890 -5.805 1.00 11.25 H new ATOM 0 HG13 ILE A 5 6.580 -9.501 -6.384 1.00 11.25 H new ATOM 0 HG21 ILE A 5 8.844 -12.127 -5.756 1.00 12.23 H new ATOM 0 HG22 ILE A 5 7.682 -13.355 -6.311 1.00 12.23 H new ATOM 0 HG23 ILE A 5 8.053 -11.952 -7.340 1.00 12.23 H new ATOM 0 HD11 ILE A 5 7.065 -8.329 -4.292 1.00 0.41 H new ATOM 0 HD12 ILE A 5 5.733 -9.487 -4.065 1.00 0.41 H new ATOM 0 HD13 ILE A 5 7.366 -9.882 -3.477 1.00 0.41 H new ATOM 93 N LYS A 6 5.652 -13.824 -7.646 1.00 64.53 N ATOM 94 CA LYS A 6 5.465 -15.252 -7.875 1.00 72.21 C ATOM 95 C LYS A 6 6.749 -15.894 -8.390 1.00 22.10 C ATOM 96 O LYS A 6 7.227 -15.567 -9.477 1.00 2.02 O ATOM 97 CB LYS A 6 4.330 -15.485 -8.875 1.00 14.42 C ATOM 98 CG LYS A 6 2.969 -15.656 -8.221 1.00 63.04 C ATOM 99 CD LYS A 6 2.245 -14.327 -8.084 1.00 62.21 C ATOM 100 CE LYS A 6 1.563 -13.927 -9.383 1.00 60.34 C ATOM 101 NZ LYS A 6 0.285 -14.664 -9.588 1.00 41.24 N ATOM 0 H LYS A 6 6.145 -13.338 -8.395 1.00 64.53 H new ATOM 0 HA LYS A 6 5.204 -15.715 -6.923 1.00 72.21 H new ATOM 0 HB2 LYS A 6 4.288 -14.644 -9.567 1.00 14.42 H new ATOM 0 HB3 LYS A 6 4.554 -16.373 -9.466 1.00 14.42 H new ATOM 0 HG2 LYS A 6 2.363 -16.342 -8.813 1.00 63.04 H new ATOM 0 HG3 LYS A 6 3.092 -16.108 -7.237 1.00 63.04 H new ATOM 0 HD2 LYS A 6 1.503 -14.396 -7.289 1.00 62.21 H new ATOM 0 HD3 LYS A 6 2.955 -13.553 -7.791 1.00 62.21 H new ATOM 0 HE2 LYS A 6 1.367 -12.855 -9.375 1.00 60.34 H new ATOM 0 HE3 LYS A 6 2.233 -14.122 -10.220 1.00 60.34 H new ATOM 0 HZ1 LYS A 6 -0.149 -14.363 -10.484 1.00 41.24 H new ATOM 0 HZ2 LYS A 6 0.475 -15.686 -9.621 1.00 41.24 H new ATOM 0 HZ3 LYS A 6 -0.364 -14.458 -8.802 1.00 41.24 H new ATOM 115 N THR A 7 7.304 -16.811 -7.603 1.00 72.23 N ATOM 116 CA THR A 7 8.532 -17.499 -7.980 1.00 23.12 C ATOM 117 C THR A 7 8.247 -18.648 -8.940 1.00 51.14 C ATOM 118 O THR A 7 7.090 -18.992 -9.187 1.00 40.42 O ATOM 119 CB THR A 7 9.269 -18.049 -6.744 1.00 63.32 C ATOM 120 OG1 THR A 7 10.548 -18.569 -7.127 1.00 54.32 O ATOM 121 CG2 THR A 7 8.454 -19.142 -6.070 1.00 12.15 C ATOM 0 H THR A 7 6.922 -17.094 -6.701 1.00 72.23 H new ATOM 0 HA THR A 7 9.166 -16.764 -8.476 1.00 23.12 H new ATOM 0 HB THR A 7 9.406 -17.231 -6.037 1.00 63.32 H new ATOM 0 HG1 THR A 7 11.038 -17.890 -7.635 1.00 54.32 H new ATOM 0 HG21 THR A 7 8.995 -19.515 -5.200 1.00 12.15 H new ATOM 0 HG22 THR A 7 7.493 -18.737 -5.754 1.00 12.15 H new ATOM 0 HG23 THR A 7 8.290 -19.959 -6.773 1.00 12.15 H new ATOM 129 N LEU A 8 9.307 -19.239 -9.480 1.00 22.24 N ATOM 130 CA LEU A 8 9.170 -20.351 -10.414 1.00 25.44 C ATOM 131 C LEU A 8 8.442 -21.523 -9.763 1.00 0.23 C ATOM 132 O LEU A 8 7.896 -22.388 -10.449 1.00 3.14 O ATOM 133 CB LEU A 8 10.547 -20.802 -10.906 1.00 0.03 C ATOM 134 CG LEU A 8 10.555 -21.733 -12.119 1.00 15.22 C ATOM 135 CD1 LEU A 8 11.822 -21.535 -12.936 1.00 0.14 C ATOM 136 CD2 LEU A 8 10.422 -23.183 -11.679 1.00 25.53 C ATOM 0 H LEU A 8 10.271 -18.967 -9.287 1.00 22.24 H new ATOM 0 HA LEU A 8 8.581 -20.008 -11.264 1.00 25.44 H new ATOM 0 HB2 LEU A 8 11.132 -19.915 -11.150 1.00 0.03 H new ATOM 0 HB3 LEU A 8 11.058 -21.304 -10.084 1.00 0.03 H new ATOM 0 HG LEU A 8 9.700 -21.486 -12.748 1.00 15.22 H new ATOM 0 HD11 LEU A 8 11.810 -22.206 -13.795 1.00 0.14 H new ATOM 0 HD12 LEU A 8 11.874 -20.503 -13.283 1.00 0.14 H new ATOM 0 HD13 LEU A 8 12.692 -21.754 -12.317 1.00 0.14 H new ATOM 0 HD21 LEU A 8 10.430 -23.831 -12.555 1.00 25.53 H new ATOM 0 HD22 LEU A 8 11.256 -23.444 -11.028 1.00 25.53 H new ATOM 0 HD23 LEU A 8 9.485 -23.315 -11.138 1.00 25.53 H new ATOM 148 N THR A 9 8.435 -21.544 -8.433 1.00 41.14 N ATOM 149 CA THR A 9 7.773 -22.608 -7.689 1.00 40.33 C ATOM 150 C THR A 9 6.260 -22.424 -7.696 1.00 12.44 C ATOM 151 O THR A 9 5.515 -23.307 -7.272 1.00 4.43 O ATOM 152 CB THR A 9 8.266 -22.664 -6.231 1.00 32.01 C ATOM 153 OG1 THR A 9 9.686 -22.488 -6.187 1.00 1.14 O ATOM 154 CG2 THR A 9 7.894 -23.990 -5.585 1.00 13.02 C ATOM 0 H THR A 9 8.881 -20.836 -7.850 1.00 41.14 H new ATOM 0 HA THR A 9 8.024 -23.545 -8.186 1.00 40.33 H new ATOM 0 HB THR A 9 7.783 -21.859 -5.676 1.00 32.01 H new ATOM 0 HG1 THR A 9 9.991 -22.523 -5.256 1.00 1.14 H new ATOM 0 HG21 THR A 9 8.252 -24.007 -4.556 1.00 13.02 H new ATOM 0 HG22 THR A 9 6.810 -24.108 -5.594 1.00 13.02 H new ATOM 0 HG23 THR A 9 8.352 -24.807 -6.142 1.00 13.02 H new ATOM 162 N GLY A 10 5.811 -21.270 -8.180 1.00 55.24 N ATOM 163 CA GLY A 10 4.387 -20.991 -8.233 1.00 62.43 C ATOM 164 C GLY A 10 3.835 -20.540 -6.896 1.00 33.01 C ATOM 165 O GLY A 10 2.628 -20.603 -6.661 1.00 12.13 O ATOM 0 H GLY A 10 6.407 -20.523 -8.536 1.00 55.24 H new ATOM 0 HA2 GLY A 10 4.199 -20.219 -8.979 1.00 62.43 H new ATOM 0 HA3 GLY A 10 3.856 -21.886 -8.559 1.00 62.43 H new ATOM 169 N LYS A 11 4.719 -20.085 -6.015 1.00 43.33 N ATOM 170 CA LYS A 11 4.315 -19.621 -4.693 1.00 72.14 C ATOM 171 C LYS A 11 4.001 -18.129 -4.713 1.00 15.42 C ATOM 172 O LYS A 11 4.624 -17.361 -5.447 1.00 70.31 O ATOM 173 CB LYS A 11 5.416 -19.908 -3.671 1.00 4.25 C ATOM 174 CG LYS A 11 5.029 -19.556 -2.245 1.00 2.43 C ATOM 175 CD LYS A 11 6.033 -20.102 -1.243 1.00 73.11 C ATOM 176 CE LYS A 11 5.649 -21.497 -0.774 1.00 70.22 C ATOM 177 NZ LYS A 11 6.155 -22.551 -1.696 1.00 64.13 N ATOM 0 H LYS A 11 5.722 -20.028 -6.193 1.00 43.33 H new ATOM 0 HA LYS A 11 3.412 -20.160 -4.406 1.00 72.14 H new ATOM 0 HB2 LYS A 11 5.676 -20.965 -3.717 1.00 4.25 H new ATOM 0 HB3 LYS A 11 6.310 -19.347 -3.945 1.00 4.25 H new ATOM 0 HG2 LYS A 11 4.963 -18.473 -2.142 1.00 2.43 H new ATOM 0 HG3 LYS A 11 4.040 -19.958 -2.026 1.00 2.43 H new ATOM 0 HD2 LYS A 11 7.024 -20.129 -1.697 1.00 73.11 H new ATOM 0 HD3 LYS A 11 6.094 -19.432 -0.385 1.00 73.11 H new ATOM 0 HE2 LYS A 11 6.049 -21.667 0.226 1.00 70.22 H new ATOM 0 HE3 LYS A 11 4.564 -21.569 -0.700 1.00 70.22 H new ATOM 0 HZ1 LYS A 11 6.293 -23.437 -1.168 1.00 64.13 H new ATOM 0 HZ2 LYS A 11 5.465 -22.706 -2.458 1.00 64.13 H new ATOM 0 HZ3 LYS A 11 7.061 -22.247 -2.106 1.00 64.13 H new ATOM 191 N THR A 12 3.030 -17.722 -3.900 1.00 2.01 N ATOM 192 CA THR A 12 2.634 -16.322 -3.824 1.00 13.43 C ATOM 193 C THR A 12 3.353 -15.608 -2.685 1.00 13.14 C ATOM 194 O THR A 12 3.148 -15.927 -1.513 1.00 3.31 O ATOM 195 CB THR A 12 1.113 -16.178 -3.625 1.00 71.44 C ATOM 196 OG1 THR A 12 0.417 -16.779 -4.723 1.00 40.25 O ATOM 197 CG2 THR A 12 0.718 -14.714 -3.508 1.00 41.01 C ATOM 0 H THR A 12 2.504 -18.343 -3.285 1.00 2.01 H new ATOM 0 HA THR A 12 2.914 -15.863 -4.772 1.00 13.43 H new ATOM 0 HB THR A 12 0.840 -16.686 -2.700 1.00 71.44 H new ATOM 0 HG1 THR A 12 -0.549 -16.685 -4.589 1.00 40.25 H new ATOM 0 HG21 THR A 12 -0.360 -14.638 -3.368 1.00 41.01 H new ATOM 0 HG22 THR A 12 1.227 -14.267 -2.654 1.00 41.01 H new ATOM 0 HG23 THR A 12 1.004 -14.186 -4.418 1.00 41.01 H new ATOM 205 N ILE A 13 4.194 -14.641 -3.036 1.00 31.22 N ATOM 206 CA ILE A 13 4.941 -13.881 -2.042 1.00 24.23 C ATOM 207 C ILE A 13 4.630 -12.392 -2.140 1.00 40.31 C ATOM 208 O ILE A 13 4.844 -11.768 -3.180 1.00 61.13 O ATOM 209 CB ILE A 13 6.459 -14.088 -2.199 1.00 64.44 C ATOM 210 CG1 ILE A 13 6.782 -15.578 -2.329 1.00 60.43 C ATOM 211 CG2 ILE A 13 7.202 -13.481 -1.019 1.00 3.02 C ATOM 212 CD1 ILE A 13 8.258 -15.865 -2.494 1.00 2.11 C ATOM 0 H ILE A 13 4.375 -14.365 -4.001 1.00 31.22 H new ATOM 0 HA ILE A 13 4.631 -14.251 -1.065 1.00 24.23 H new ATOM 0 HB ILE A 13 6.787 -13.583 -3.108 1.00 64.44 H new ATOM 0 HG12 ILE A 13 6.416 -16.099 -1.445 1.00 60.43 H new ATOM 0 HG13 ILE A 13 6.243 -15.985 -3.185 1.00 60.43 H new ATOM 0 HG21 ILE A 13 8.274 -13.636 -1.145 1.00 3.02 H new ATOM 0 HG22 ILE A 13 6.993 -12.412 -0.968 1.00 3.02 H new ATOM 0 HG23 ILE A 13 6.872 -13.959 -0.097 1.00 3.02 H new ATOM 0 HD11 ILE A 13 8.412 -16.941 -2.580 1.00 2.11 H new ATOM 0 HD12 ILE A 13 8.626 -15.373 -3.394 1.00 2.11 H new ATOM 0 HD13 ILE A 13 8.801 -15.489 -1.627 1.00 2.11 H new ATOM 224 N THR A 14 4.124 -11.825 -1.049 1.00 3.01 N ATOM 225 CA THR A 14 3.784 -10.408 -1.011 1.00 72.42 C ATOM 226 C THR A 14 4.323 -9.747 0.252 1.00 41.22 C ATOM 227 O THR A 14 4.146 -10.260 1.356 1.00 3.33 O ATOM 228 CB THR A 14 2.260 -10.195 -1.078 1.00 52.13 C ATOM 229 OG1 THR A 14 1.637 -10.736 0.092 1.00 4.33 O ATOM 230 CG2 THR A 14 1.675 -10.853 -2.319 1.00 44.54 C ATOM 0 H THR A 14 3.941 -12.326 -0.180 1.00 3.01 H new ATOM 0 HA THR A 14 4.247 -9.948 -1.884 1.00 72.42 H new ATOM 0 HB THR A 14 2.068 -9.123 -1.129 1.00 52.13 H new ATOM 0 HG1 THR A 14 0.669 -10.595 0.042 1.00 4.33 H new ATOM 0 HG21 THR A 14 0.598 -10.689 -2.344 1.00 44.54 H new ATOM 0 HG22 THR A 14 2.129 -10.419 -3.210 1.00 44.54 H new ATOM 0 HG23 THR A 14 1.879 -11.924 -2.293 1.00 44.54 H new ATOM 238 N ALA A 15 4.981 -8.605 0.081 1.00 11.32 N ATOM 239 CA ALA A 15 5.544 -7.872 1.208 1.00 15.54 C ATOM 240 C ALA A 15 5.927 -6.452 0.804 1.00 65.34 C ATOM 241 O ALA A 15 6.184 -6.180 -0.369 1.00 32.03 O ATOM 242 CB ALA A 15 6.752 -8.608 1.767 1.00 71.30 C ATOM 0 H ALA A 15 5.137 -8.168 -0.827 1.00 11.32 H new ATOM 0 HA ALA A 15 4.781 -7.807 1.984 1.00 15.54 H new ATOM 0 HB1 ALA A 15 7.162 -8.049 2.608 1.00 71.30 H new ATOM 0 HB2 ALA A 15 6.450 -9.600 2.103 1.00 71.30 H new ATOM 0 HB3 ALA A 15 7.511 -8.704 0.991 1.00 71.30 H new ATOM 248 N GLU A 16 5.964 -5.552 1.781 1.00 21.33 N ATOM 249 CA GLU A 16 6.315 -4.161 1.525 1.00 44.53 C ATOM 250 C GLU A 16 7.827 -3.996 1.393 1.00 31.32 C ATOM 251 O GLU A 16 8.598 -4.659 2.088 1.00 63.14 O ATOM 252 CB GLU A 16 5.790 -3.263 2.647 1.00 34.31 C ATOM 253 CG GLU A 16 6.504 -3.465 3.973 1.00 71.31 C ATOM 254 CD GLU A 16 5.643 -3.087 5.163 1.00 44.33 C ATOM 255 OE1 GLU A 16 6.117 -3.237 6.308 1.00 5.45 O ATOM 256 OE2 GLU A 16 4.497 -2.641 4.949 1.00 72.24 O ATOM 0 H GLU A 16 5.755 -5.762 2.757 1.00 21.33 H new ATOM 0 HA GLU A 16 5.850 -3.864 0.585 1.00 44.53 H new ATOM 0 HB2 GLU A 16 5.892 -2.221 2.344 1.00 34.31 H new ATOM 0 HB3 GLU A 16 4.725 -3.453 2.785 1.00 34.31 H new ATOM 0 HG2 GLU A 16 6.805 -4.509 4.064 1.00 71.31 H new ATOM 0 HG3 GLU A 16 7.416 -2.868 3.985 1.00 71.31 H new ATOM 263 N THR A 17 8.244 -3.108 0.496 1.00 10.13 N ATOM 264 CA THR A 17 9.662 -2.857 0.271 1.00 12.14 C ATOM 265 C THR A 17 9.965 -1.363 0.288 1.00 61.10 C ATOM 266 O THR A 17 9.055 -0.536 0.258 1.00 13.20 O ATOM 267 CB THR A 17 10.131 -3.450 -1.071 1.00 4.44 C ATOM 268 OG1 THR A 17 11.561 -3.414 -1.149 1.00 13.43 O ATOM 269 CG2 THR A 17 9.535 -2.681 -2.240 1.00 11.11 C ATOM 0 H THR A 17 7.619 -2.550 -0.087 1.00 10.13 H new ATOM 0 HA THR A 17 10.202 -3.343 1.083 1.00 12.14 H new ATOM 0 HB THR A 17 9.790 -4.484 -1.125 1.00 4.44 H new ATOM 0 HG1 THR A 17 11.871 -4.091 -1.786 1.00 13.43 H new ATOM 0 HG21 THR A 17 9.880 -3.118 -3.177 1.00 11.11 H new ATOM 0 HG22 THR A 17 8.447 -2.734 -2.194 1.00 11.11 H new ATOM 0 HG23 THR A 17 9.850 -1.639 -2.188 1.00 11.11 H new ATOM 277 N GLU A 18 11.250 -1.025 0.335 1.00 30.12 N ATOM 278 CA GLU A 18 11.672 0.371 0.356 1.00 72.53 C ATOM 279 C GLU A 18 11.648 0.967 -1.049 1.00 31.13 C ATOM 280 O GLU A 18 12.054 0.337 -2.025 1.00 65.41 O ATOM 281 CB GLU A 18 13.077 0.493 0.950 1.00 55.21 C ATOM 282 CG GLU A 18 13.132 1.340 2.210 1.00 25.02 C ATOM 283 CD GLU A 18 12.109 0.914 3.245 1.00 2.20 C ATOM 284 OE1 GLU A 18 11.863 -0.304 3.369 1.00 4.01 O ATOM 285 OE2 GLU A 18 11.554 1.798 3.930 1.00 2.32 O ATOM 0 H GLU A 18 12.016 -1.698 0.359 1.00 30.12 H new ATOM 0 HA GLU A 18 10.972 0.927 0.980 1.00 72.53 H new ATOM 0 HB2 GLU A 18 13.455 -0.504 1.176 1.00 55.21 H new ATOM 0 HB3 GLU A 18 13.742 0.925 0.202 1.00 55.21 H new ATOM 0 HG2 GLU A 18 14.130 1.275 2.643 1.00 25.02 H new ATOM 0 HG3 GLU A 18 12.965 2.385 1.948 1.00 25.02 H new ATOM 292 N PRO A 19 11.159 2.212 -1.154 1.00 64.43 N ATOM 293 CA PRO A 19 11.070 2.921 -2.434 1.00 1.10 C ATOM 294 C PRO A 19 12.441 3.308 -2.979 1.00 73.53 C ATOM 295 O PRO A 19 12.563 3.745 -4.123 1.00 1.41 O ATOM 296 CB PRO A 19 10.259 4.173 -2.090 1.00 22.13 C ATOM 297 CG PRO A 19 10.498 4.391 -0.635 1.00 72.34 C ATOM 298 CD PRO A 19 10.657 3.022 -0.032 1.00 41.44 C ATOM 0 HA PRO A 19 10.619 2.304 -3.211 1.00 1.10 H new ATOM 0 HB2 PRO A 19 10.586 5.031 -2.678 1.00 22.13 H new ATOM 0 HB3 PRO A 19 9.199 4.028 -2.300 1.00 22.13 H new ATOM 0 HG2 PRO A 19 11.391 4.995 -0.472 1.00 72.34 H new ATOM 0 HG3 PRO A 19 9.664 4.924 -0.178 1.00 72.34 H new ATOM 0 HD2 PRO A 19 11.357 3.030 0.803 1.00 41.44 H new ATOM 0 HD3 PRO A 19 9.711 2.638 0.349 1.00 41.44 H new ATOM 306 N ALA A 20 13.469 3.142 -2.154 1.00 0.21 N ATOM 307 CA ALA A 20 14.831 3.471 -2.555 1.00 1.51 C ATOM 308 C ALA A 20 15.572 2.234 -3.051 1.00 12.12 C ATOM 309 O ALA A 20 16.495 2.335 -3.858 1.00 74.24 O ATOM 310 CB ALA A 20 15.583 4.110 -1.396 1.00 73.13 C ATOM 0 H ALA A 20 13.385 2.782 -1.204 1.00 0.21 H new ATOM 0 HA ALA A 20 14.778 4.185 -3.377 1.00 1.51 H new ATOM 0 HB1 ALA A 20 16.599 4.350 -1.710 1.00 73.13 H new ATOM 0 HB2 ALA A 20 15.072 5.023 -1.090 1.00 73.13 H new ATOM 0 HB3 ALA A 20 15.617 3.415 -0.557 1.00 73.13 H new ATOM 316 N GLU A 21 15.161 1.068 -2.561 1.00 42.41 N ATOM 317 CA GLU A 21 15.788 -0.188 -2.954 1.00 42.04 C ATOM 318 C GLU A 21 14.784 -1.336 -2.907 1.00 14.41 C ATOM 319 O GLU A 21 14.753 -2.111 -1.951 1.00 23.13 O ATOM 320 CB GLU A 21 16.977 -0.498 -2.042 1.00 72.01 C ATOM 321 CG GLU A 21 18.283 0.120 -2.513 1.00 13.04 C ATOM 322 CD GLU A 21 19.488 -0.433 -1.777 1.00 1.40 C ATOM 323 OE1 GLU A 21 19.376 -0.680 -0.558 1.00 22.11 O ATOM 324 OE2 GLU A 21 20.543 -0.617 -2.420 1.00 34.44 O ATOM 0 H GLU A 21 14.398 0.968 -1.892 1.00 42.41 H new ATOM 0 HA GLU A 21 16.144 -0.081 -3.979 1.00 42.04 H new ATOM 0 HB2 GLU A 21 16.756 -0.139 -1.037 1.00 72.01 H new ATOM 0 HB3 GLU A 21 17.100 -1.579 -1.974 1.00 72.01 H new ATOM 0 HG2 GLU A 21 18.401 -0.059 -3.582 1.00 13.04 H new ATOM 0 HG3 GLU A 21 18.241 1.200 -2.373 1.00 13.04 H new ATOM 331 N THR A 22 13.961 -1.438 -3.946 1.00 51.33 N ATOM 332 CA THR A 22 12.954 -2.488 -4.024 1.00 33.24 C ATOM 333 C THR A 22 13.586 -3.831 -4.371 1.00 74.23 C ATOM 334 O THR A 22 13.123 -4.881 -3.923 1.00 45.33 O ATOM 335 CB THR A 22 11.874 -2.155 -5.071 1.00 30.45 C ATOM 336 OG1 THR A 22 10.720 -2.976 -4.862 1.00 35.43 O ATOM 337 CG2 THR A 22 12.404 -2.366 -6.481 1.00 22.43 C ATOM 0 H THR A 22 13.973 -0.805 -4.746 1.00 51.33 H new ATOM 0 HA THR A 22 12.488 -2.552 -3.041 1.00 33.24 H new ATOM 0 HB THR A 22 11.599 -1.106 -4.956 1.00 30.45 H new ATOM 0 HG1 THR A 22 10.973 -3.920 -4.932 1.00 35.43 H new ATOM 0 HG21 THR A 22 11.624 -2.125 -7.203 1.00 22.43 H new ATOM 0 HG22 THR A 22 13.265 -1.718 -6.647 1.00 22.43 H new ATOM 0 HG23 THR A 22 12.704 -3.407 -6.605 1.00 22.43 H new ATOM 345 N VAL A 23 14.646 -3.792 -5.172 1.00 53.43 N ATOM 346 CA VAL A 23 15.343 -5.006 -5.579 1.00 34.13 C ATOM 347 C VAL A 23 16.195 -5.557 -4.441 1.00 63.14 C ATOM 348 O VAL A 23 16.074 -6.724 -4.070 1.00 63.24 O ATOM 349 CB VAL A 23 16.241 -4.754 -6.804 1.00 22.30 C ATOM 350 CG1 VAL A 23 17.023 -6.009 -7.160 1.00 24.43 C ATOM 351 CG2 VAL A 23 15.409 -4.282 -7.986 1.00 51.24 C ATOM 0 H VAL A 23 15.041 -2.932 -5.552 1.00 53.43 H new ATOM 0 HA VAL A 23 14.579 -5.737 -5.844 1.00 34.13 H new ATOM 0 HB VAL A 23 16.954 -3.969 -6.554 1.00 22.30 H new ATOM 0 HG11 VAL A 23 17.652 -5.812 -8.028 1.00 24.43 H new ATOM 0 HG12 VAL A 23 17.649 -6.299 -6.316 1.00 24.43 H new ATOM 0 HG13 VAL A 23 16.329 -6.817 -7.391 1.00 24.43 H new ATOM 0 HG21 VAL A 23 16.060 -4.109 -8.843 1.00 51.24 H new ATOM 0 HG22 VAL A 23 14.671 -5.043 -8.239 1.00 51.24 H new ATOM 0 HG23 VAL A 23 14.899 -3.355 -7.725 1.00 51.24 H new ATOM 361 N ALA A 24 17.058 -4.709 -3.891 1.00 52.33 N ATOM 362 CA ALA A 24 17.930 -5.110 -2.794 1.00 15.30 C ATOM 363 C ALA A 24 17.125 -5.702 -1.642 1.00 71.31 C ATOM 364 O ALA A 24 17.496 -6.731 -1.078 1.00 24.52 O ATOM 365 CB ALA A 24 18.750 -3.923 -2.311 1.00 64.14 C ATOM 0 H ALA A 24 17.172 -3.740 -4.187 1.00 52.33 H new ATOM 0 HA ALA A 24 18.607 -5.880 -3.164 1.00 15.30 H new ATOM 0 HB1 ALA A 24 19.397 -4.237 -1.492 1.00 64.14 H new ATOM 0 HB2 ALA A 24 19.361 -3.545 -3.131 1.00 64.14 H new ATOM 0 HB3 ALA A 24 18.081 -3.136 -1.964 1.00 64.14 H new ATOM 371 N ASP A 25 16.022 -5.046 -1.298 1.00 24.22 N ATOM 372 CA ASP A 25 15.165 -5.509 -0.213 1.00 13.42 C ATOM 373 C ASP A 25 14.691 -6.936 -0.465 1.00 71.55 C ATOM 374 O ASP A 25 14.636 -7.756 0.453 1.00 41.51 O ATOM 375 CB ASP A 25 13.961 -4.579 -0.054 1.00 54.04 C ATOM 376 CG ASP A 25 14.187 -3.513 0.999 1.00 11.24 C ATOM 377 OD1 ASP A 25 13.199 -3.086 1.634 1.00 43.12 O ATOM 378 OD2 ASP A 25 15.352 -3.106 1.190 1.00 12.05 O ATOM 0 H ASP A 25 15.701 -4.192 -1.755 1.00 24.22 H new ATOM 0 HA ASP A 25 15.748 -5.497 0.708 1.00 13.42 H new ATOM 0 HB2 ASP A 25 13.746 -4.101 -1.010 1.00 54.04 H new ATOM 0 HB3 ASP A 25 13.083 -5.168 0.212 1.00 54.04 H new ATOM 383 N LEU A 26 14.349 -7.228 -1.715 1.00 75.14 N ATOM 384 CA LEU A 26 13.878 -8.557 -2.089 1.00 71.35 C ATOM 385 C LEU A 26 15.040 -9.541 -2.181 1.00 3.22 C ATOM 386 O LEU A 26 14.899 -10.718 -1.850 1.00 23.32 O ATOM 387 CB LEU A 26 13.137 -8.500 -3.427 1.00 22.14 C ATOM 388 CG LEU A 26 11.975 -9.479 -3.592 1.00 74.34 C ATOM 389 CD1 LEU A 26 12.451 -10.911 -3.399 1.00 14.33 C ATOM 390 CD2 LEU A 26 10.856 -9.150 -2.614 1.00 65.21 C ATOM 0 H LEU A 26 14.389 -6.562 -2.487 1.00 75.14 H new ATOM 0 HA LEU A 26 13.193 -8.903 -1.315 1.00 71.35 H new ATOM 0 HB2 LEU A 26 12.756 -7.488 -3.566 1.00 22.14 H new ATOM 0 HB3 LEU A 26 13.856 -8.682 -4.226 1.00 22.14 H new ATOM 0 HG LEU A 26 11.585 -9.381 -4.605 1.00 74.34 H new ATOM 0 HD11 LEU A 26 11.610 -11.593 -3.520 1.00 14.33 H new ATOM 0 HD12 LEU A 26 13.216 -11.143 -4.140 1.00 14.33 H new ATOM 0 HD13 LEU A 26 12.869 -11.024 -2.398 1.00 14.33 H new ATOM 0 HD21 LEU A 26 10.037 -9.858 -2.746 1.00 65.21 H new ATOM 0 HD22 LEU A 26 11.233 -9.218 -1.594 1.00 65.21 H new ATOM 0 HD23 LEU A 26 10.495 -8.139 -2.801 1.00 65.21 H new ATOM 402 N LYS A 27 16.190 -9.050 -2.630 1.00 42.40 N ATOM 403 CA LYS A 27 17.379 -9.883 -2.762 1.00 4.01 C ATOM 404 C LYS A 27 17.774 -10.484 -1.417 1.00 24.12 C ATOM 405 O LYS A 27 18.035 -11.683 -1.316 1.00 2.52 O ATOM 406 CB LYS A 27 18.542 -9.063 -3.327 1.00 75.42 C ATOM 407 CG LYS A 27 18.325 -8.609 -4.760 1.00 61.44 C ATOM 408 CD LYS A 27 19.557 -8.855 -5.615 1.00 61.23 C ATOM 409 CE LYS A 27 20.482 -7.647 -5.621 1.00 34.42 C ATOM 410 NZ LYS A 27 21.488 -7.714 -4.525 1.00 32.10 N ATOM 0 H LYS A 27 16.324 -8.078 -2.909 1.00 42.40 H new ATOM 0 HA LYS A 27 17.148 -10.696 -3.450 1.00 4.01 H new ATOM 0 HB2 LYS A 27 18.698 -8.187 -2.697 1.00 75.42 H new ATOM 0 HB3 LYS A 27 19.454 -9.658 -3.277 1.00 75.42 H new ATOM 0 HG2 LYS A 27 17.473 -9.140 -5.186 1.00 61.44 H new ATOM 0 HG3 LYS A 27 18.078 -7.547 -4.773 1.00 61.44 H new ATOM 0 HD2 LYS A 27 20.095 -9.725 -5.238 1.00 61.23 H new ATOM 0 HD3 LYS A 27 19.252 -9.086 -6.636 1.00 61.23 H new ATOM 0 HE2 LYS A 27 20.994 -7.587 -6.581 1.00 34.42 H new ATOM 0 HE3 LYS A 27 19.891 -6.737 -5.517 1.00 34.42 H new ATOM 0 HZ1 LYS A 27 22.066 -6.850 -4.531 1.00 32.10 H new ATOM 0 HZ2 LYS A 27 21.000 -7.797 -3.610 1.00 32.10 H new ATOM 0 HZ3 LYS A 27 22.101 -8.542 -4.667 1.00 32.10 H new ATOM 424 N GLN A 28 17.815 -9.644 -0.387 1.00 74.44 N ATOM 425 CA GLN A 28 18.177 -10.095 0.951 1.00 1.43 C ATOM 426 C GLN A 28 17.153 -11.090 1.487 1.00 51.41 C ATOM 427 O GLN A 28 17.496 -12.016 2.221 1.00 24.22 O ATOM 428 CB GLN A 28 18.290 -8.900 1.901 1.00 64.54 C ATOM 429 CG GLN A 28 19.062 -9.207 3.174 1.00 1.30 C ATOM 430 CD GLN A 28 19.021 -8.065 4.170 1.00 1.32 C ATOM 431 OE1 GLN A 28 18.116 -7.230 4.139 1.00 61.34 O ATOM 432 NE2 GLN A 28 20.004 -8.021 5.062 1.00 33.43 N ATOM 0 H GLN A 28 17.602 -8.649 -0.454 1.00 74.44 H new ATOM 0 HA GLN A 28 19.144 -10.595 0.889 1.00 1.43 H new ATOM 0 HB2 GLN A 28 18.778 -8.077 1.380 1.00 64.54 H new ATOM 0 HB3 GLN A 28 17.289 -8.561 2.166 1.00 64.54 H new ATOM 0 HG2 GLN A 28 18.650 -10.103 3.637 1.00 1.30 H new ATOM 0 HG3 GLN A 28 20.099 -9.427 2.921 1.00 1.30 H new ATOM 0 HE21 GLN A 28 20.734 -8.733 5.052 1.00 33.43 H new ATOM 0 HE22 GLN A 28 20.029 -7.275 5.757 1.00 33.43 H new ATOM 441 N LYS A 29 15.893 -10.892 1.115 1.00 13.21 N ATOM 442 CA LYS A 29 14.817 -11.772 1.557 1.00 41.44 C ATOM 443 C LYS A 29 15.080 -13.211 1.125 1.00 13.03 C ATOM 444 O LYS A 29 15.023 -14.133 1.940 1.00 55.23 O ATOM 445 CB LYS A 29 13.477 -11.295 0.992 1.00 33.42 C ATOM 446 CG LYS A 29 12.296 -11.586 1.902 1.00 12.34 C ATOM 447 CD LYS A 29 11.830 -13.026 1.769 1.00 54.22 C ATOM 448 CE LYS A 29 10.734 -13.352 2.772 1.00 74.14 C ATOM 449 NZ LYS A 29 11.286 -13.630 4.126 1.00 1.44 N ATOM 0 H LYS A 29 15.591 -10.130 0.508 1.00 13.21 H new ATOM 0 HA LYS A 29 14.778 -11.740 2.646 1.00 41.44 H new ATOM 0 HB2 LYS A 29 13.530 -10.221 0.811 1.00 33.42 H new ATOM 0 HB3 LYS A 29 13.308 -11.773 0.027 1.00 33.42 H new ATOM 0 HG2 LYS A 29 12.575 -11.387 2.937 1.00 12.34 H new ATOM 0 HG3 LYS A 29 11.474 -10.913 1.659 1.00 12.34 H new ATOM 0 HD2 LYS A 29 11.462 -13.199 0.758 1.00 54.22 H new ATOM 0 HD3 LYS A 29 12.675 -13.698 1.920 1.00 54.22 H new ATOM 0 HE2 LYS A 29 10.034 -12.518 2.829 1.00 74.14 H new ATOM 0 HE3 LYS A 29 10.170 -14.218 2.425 1.00 74.14 H new ATOM 0 HZ1 LYS A 29 10.507 -13.848 4.780 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 11.934 -14.442 4.077 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 11.803 -12.795 4.468 1.00 1.44 H new ATOM 463 N ILE A 30 15.369 -13.396 -0.158 1.00 52.33 N ATOM 464 CA ILE A 30 15.643 -14.723 -0.696 1.00 12.42 C ATOM 465 C ILE A 30 17.027 -15.209 -0.279 1.00 74.44 C ATOM 466 O ILE A 30 17.247 -16.407 -0.101 1.00 52.12 O ATOM 467 CB ILE A 30 15.546 -14.738 -2.233 1.00 24.31 C ATOM 468 CG1 ILE A 30 14.178 -14.225 -2.685 1.00 51.21 C ATOM 469 CG2 ILE A 30 15.794 -16.142 -2.765 1.00 32.03 C ATOM 470 CD1 ILE A 30 14.103 -13.930 -4.167 1.00 14.02 C ATOM 0 H ILE A 30 15.420 -12.644 -0.845 1.00 52.33 H new ATOM 0 HA ILE A 30 14.887 -15.393 -0.287 1.00 12.42 H new ATOM 0 HB ILE A 30 16.312 -14.076 -2.637 1.00 24.31 H new ATOM 0 HG12 ILE A 30 13.419 -14.965 -2.431 1.00 51.21 H new ATOM 0 HG13 ILE A 30 13.937 -13.319 -2.130 1.00 51.21 H new ATOM 0 HG21 ILE A 30 15.722 -16.137 -3.853 1.00 32.03 H new ATOM 0 HG22 ILE A 30 16.789 -16.473 -2.469 1.00 32.03 H new ATOM 0 HG23 ILE A 30 15.048 -16.823 -2.355 1.00 32.03 H new ATOM 0 HD11 ILE A 30 13.105 -13.570 -4.416 1.00 14.02 H new ATOM 0 HD12 ILE A 30 14.838 -13.167 -4.424 1.00 14.02 H new ATOM 0 HD13 ILE A 30 14.312 -14.840 -4.730 1.00 14.02 H new ATOM 482 N ALA A 31 17.956 -14.272 -0.124 1.00 52.14 N ATOM 483 CA ALA A 31 19.318 -14.605 0.275 1.00 15.30 C ATOM 484 C ALA A 31 19.327 -15.430 1.557 1.00 23.03 C ATOM 485 O ALA A 31 19.958 -16.485 1.623 1.00 70.33 O ATOM 486 CB ALA A 31 20.140 -13.337 0.455 1.00 75.03 C ATOM 0 H ALA A 31 17.790 -13.276 -0.269 1.00 52.14 H new ATOM 0 HA ALA A 31 19.766 -15.206 -0.516 1.00 15.30 H new ATOM 0 HB1 ALA A 31 21.155 -13.601 0.753 1.00 75.03 H new ATOM 0 HB2 ALA A 31 20.169 -12.786 -0.485 1.00 75.03 H new ATOM 0 HB3 ALA A 31 19.685 -12.715 1.226 1.00 75.03 H new ATOM 492 N ASP A 32 18.626 -14.942 2.574 1.00 34.44 N ATOM 493 CA ASP A 32 18.553 -15.636 3.855 1.00 3.54 C ATOM 494 C ASP A 32 17.597 -16.822 3.778 1.00 1.33 C ATOM 495 O ASP A 32 17.711 -17.776 4.548 1.00 14.21 O ATOM 496 CB ASP A 32 18.104 -14.673 4.956 1.00 53.13 C ATOM 497 CG ASP A 32 18.966 -13.427 5.023 1.00 74.50 C ATOM 498 OD1 ASP A 32 20.145 -13.542 5.417 1.00 23.52 O ATOM 499 OD2 ASP A 32 18.461 -12.338 4.681 1.00 51.04 O ATOM 0 H ASP A 32 18.100 -14.069 2.537 1.00 34.44 H new ATOM 0 HA ASP A 32 19.548 -16.011 4.094 1.00 3.54 H new ATOM 0 HB2 ASP A 32 17.067 -14.385 4.782 1.00 53.13 H new ATOM 0 HB3 ASP A 32 18.136 -15.185 5.918 1.00 53.13 H new ATOM 504 N LYS A 33 16.654 -16.755 2.845 1.00 70.03 N ATOM 505 CA LYS A 33 15.677 -17.823 2.666 1.00 42.43 C ATOM 506 C LYS A 33 16.340 -19.078 2.107 1.00 35.13 C ATOM 507 O LYS A 33 16.102 -20.184 2.593 1.00 40.44 O ATOM 508 CB LYS A 33 14.557 -17.365 1.729 1.00 14.13 C ATOM 509 CG LYS A 33 13.461 -18.400 1.540 1.00 2.12 C ATOM 510 CD LYS A 33 12.602 -18.536 2.786 1.00 60.50 C ATOM 511 CE LYS A 33 12.075 -19.954 2.947 1.00 24.32 C ATOM 512 NZ LYS A 33 11.048 -20.284 1.921 1.00 35.24 N ATOM 0 H LYS A 33 16.545 -15.972 2.200 1.00 70.03 H new ATOM 0 HA LYS A 33 15.252 -18.061 3.641 1.00 42.43 H new ATOM 0 HB2 LYS A 33 14.116 -16.449 2.123 1.00 14.13 H new ATOM 0 HB3 LYS A 33 14.985 -17.120 0.757 1.00 14.13 H new ATOM 0 HG2 LYS A 33 12.834 -18.117 0.694 1.00 2.12 H new ATOM 0 HG3 LYS A 33 13.908 -19.364 1.298 1.00 2.12 H new ATOM 0 HD2 LYS A 33 13.187 -18.262 3.664 1.00 60.50 H new ATOM 0 HD3 LYS A 33 11.765 -17.840 2.730 1.00 60.50 H new ATOM 0 HE2 LYS A 33 12.902 -20.660 2.872 1.00 24.32 H new ATOM 0 HE3 LYS A 33 11.645 -20.071 3.942 1.00 24.32 H new ATOM 0 HZ1 LYS A 33 10.714 -21.258 2.065 1.00 35.24 H new ATOM 0 HZ2 LYS A 33 10.247 -19.627 2.008 1.00 35.24 H new ATOM 0 HZ3 LYS A 33 11.465 -20.197 0.972 1.00 35.24 H new ATOM 526 N GLU A 34 17.172 -18.899 1.086 1.00 14.42 N ATOM 527 CA GLU A 34 17.868 -20.018 0.463 1.00 22.14 C ATOM 528 C GLU A 34 19.257 -20.200 1.069 1.00 10.42 C ATOM 529 O GLU A 34 19.914 -21.216 0.850 1.00 72.50 O ATOM 530 CB GLU A 34 17.983 -19.800 -1.047 1.00 1.33 C ATOM 531 CG GLU A 34 16.640 -19.698 -1.751 1.00 25.22 C ATOM 532 CD GLU A 34 15.942 -21.039 -1.872 1.00 3.12 C ATOM 533 OE1 GLU A 34 14.820 -21.075 -2.419 1.00 64.55 O ATOM 534 OE2 GLU A 34 16.517 -22.051 -1.419 1.00 11.30 O ATOM 0 H GLU A 34 17.380 -17.990 0.673 1.00 14.42 H new ATOM 0 HA GLU A 34 17.288 -20.922 0.649 1.00 22.14 H new ATOM 0 HB2 GLU A 34 18.551 -18.888 -1.232 1.00 1.33 H new ATOM 0 HB3 GLU A 34 18.550 -20.623 -1.482 1.00 1.33 H new ATOM 0 HG2 GLU A 34 15.999 -19.007 -1.204 1.00 25.22 H new ATOM 0 HG3 GLU A 34 16.786 -19.278 -2.746 1.00 25.22 H new ATOM 541 N GLY A 35 19.698 -19.204 1.833 1.00 70.41 N ATOM 542 CA GLY A 35 21.006 -19.273 2.458 1.00 12.51 C ATOM 543 C GLY A 35 22.130 -18.988 1.483 1.00 44.25 C ATOM 544 O GLY A 35 23.284 -19.337 1.734 1.00 32.11 O ATOM 0 H GLY A 35 19.173 -18.352 2.030 1.00 70.41 H new ATOM 0 HA2 GLY A 35 21.051 -18.557 3.279 1.00 12.51 H new ATOM 0 HA3 GLY A 35 21.147 -20.264 2.891 1.00 12.51 H new ATOM 548 N VAL A 36 21.795 -18.353 0.364 1.00 11.40 N ATOM 549 CA VAL A 36 22.785 -18.022 -0.654 1.00 2.44 C ATOM 550 C VAL A 36 22.971 -16.513 -0.769 1.00 51.25 C ATOM 551 O VAL A 36 22.090 -15.725 -0.422 1.00 63.53 O ATOM 552 CB VAL A 36 22.386 -18.586 -2.030 1.00 52.20 C ATOM 553 CG1 VAL A 36 22.674 -20.078 -2.100 1.00 14.24 C ATOM 554 CG2 VAL A 36 20.919 -18.304 -2.316 1.00 15.44 C ATOM 0 H VAL A 36 20.845 -18.057 0.140 1.00 11.40 H new ATOM 0 HA VAL A 36 23.725 -18.478 -0.342 1.00 2.44 H new ATOM 0 HB VAL A 36 22.984 -18.089 -2.794 1.00 52.20 H new ATOM 0 HG11 VAL A 36 22.385 -20.459 -3.080 1.00 14.24 H new ATOM 0 HG12 VAL A 36 23.739 -20.251 -1.943 1.00 14.24 H new ATOM 0 HG13 VAL A 36 22.105 -20.595 -1.328 1.00 14.24 H new ATOM 0 HG21 VAL A 36 20.654 -18.710 -3.292 1.00 15.44 H new ATOM 0 HG22 VAL A 36 20.302 -18.773 -1.549 1.00 15.44 H new ATOM 0 HG23 VAL A 36 20.748 -17.228 -2.312 1.00 15.44 H new ATOM 564 N PRO A 37 24.144 -16.098 -1.270 1.00 1.21 N ATOM 565 CA PRO A 37 24.473 -14.680 -1.444 1.00 61.05 C ATOM 566 C PRO A 37 23.657 -14.028 -2.555 1.00 60.15 C ATOM 567 O PRO A 37 23.480 -14.604 -3.629 1.00 44.43 O ATOM 568 CB PRO A 37 25.958 -14.703 -1.815 1.00 61.51 C ATOM 569 CG PRO A 37 26.176 -16.047 -2.420 1.00 63.31 C ATOM 570 CD PRO A 37 25.240 -16.981 -1.704 1.00 54.33 C ATOM 0 HA PRO A 37 24.252 -14.098 -0.549 1.00 61.05 H new ATOM 0 HB2 PRO A 37 26.203 -13.908 -2.519 1.00 61.51 H new ATOM 0 HB3 PRO A 37 26.588 -14.557 -0.937 1.00 61.51 H new ATOM 0 HG2 PRO A 37 25.969 -16.031 -3.490 1.00 63.31 H new ATOM 0 HG3 PRO A 37 27.212 -16.365 -2.301 1.00 63.31 H new ATOM 0 HD2 PRO A 37 24.882 -17.773 -2.361 1.00 54.33 H new ATOM 0 HD3 PRO A 37 25.726 -17.465 -0.857 1.00 54.33 H new ATOM 578 N VAL A 38 23.162 -12.823 -2.291 1.00 35.44 N ATOM 579 CA VAL A 38 22.365 -12.092 -3.269 1.00 22.30 C ATOM 580 C VAL A 38 23.158 -11.843 -4.547 1.00 41.00 C ATOM 581 O VAL A 38 22.584 -11.599 -5.608 1.00 51.04 O ATOM 582 CB VAL A 38 21.884 -10.742 -2.705 1.00 30.21 C ATOM 583 CG1 VAL A 38 20.922 -10.960 -1.547 1.00 2.43 C ATOM 584 CG2 VAL A 38 23.070 -9.893 -2.272 1.00 34.21 C ATOM 0 H VAL A 38 23.299 -12.332 -1.407 1.00 35.44 H new ATOM 0 HA VAL A 38 21.498 -12.711 -3.497 1.00 22.30 H new ATOM 0 HB VAL A 38 21.352 -10.207 -3.492 1.00 30.21 H new ATOM 0 HG11 VAL A 38 20.593 -9.995 -1.161 1.00 2.43 H new ATOM 0 HG12 VAL A 38 20.058 -11.526 -1.894 1.00 2.43 H new ATOM 0 HG13 VAL A 38 21.425 -11.515 -0.755 1.00 2.43 H new ATOM 0 HG21 VAL A 38 22.712 -8.943 -1.876 1.00 34.21 H new ATOM 0 HG22 VAL A 38 23.632 -10.419 -1.500 1.00 34.21 H new ATOM 0 HG23 VAL A 38 23.717 -9.708 -3.129 1.00 34.21 H new ATOM 594 N ASP A 39 24.480 -11.906 -4.438 1.00 25.50 N ATOM 595 CA ASP A 39 25.354 -11.689 -5.586 1.00 34.24 C ATOM 596 C ASP A 39 25.207 -12.818 -6.602 1.00 13.35 C ATOM 597 O ASP A 39 25.669 -12.707 -7.737 1.00 23.15 O ATOM 598 CB ASP A 39 26.810 -11.581 -5.132 1.00 23.10 C ATOM 599 CG ASP A 39 27.695 -10.928 -6.176 1.00 32.02 C ATOM 600 OD1 ASP A 39 28.734 -11.524 -6.531 1.00 13.25 O ATOM 601 OD2 ASP A 39 27.348 -9.822 -6.639 1.00 13.42 O ATOM 0 H ASP A 39 24.971 -12.106 -3.566 1.00 25.50 H new ATOM 0 HA ASP A 39 25.060 -10.754 -6.064 1.00 34.24 H new ATOM 0 HB2 ASP A 39 26.858 -11.005 -4.208 1.00 23.10 H new ATOM 0 HB3 ASP A 39 27.192 -12.577 -4.907 1.00 23.10 H new ATOM 606 N GLN A 40 24.561 -13.902 -6.185 1.00 22.14 N ATOM 607 CA GLN A 40 24.355 -15.051 -7.058 1.00 65.32 C ATOM 608 C GLN A 40 22.944 -15.051 -7.635 1.00 53.21 C ATOM 609 O GLN A 40 22.668 -15.729 -8.624 1.00 52.12 O ATOM 610 CB GLN A 40 24.606 -16.352 -6.293 1.00 10.22 C ATOM 611 CG GLN A 40 26.067 -16.769 -6.265 1.00 24.25 C ATOM 612 CD GLN A 40 26.286 -18.080 -5.534 1.00 41.51 C ATOM 613 OE1 GLN A 40 25.527 -18.435 -4.632 1.00 72.13 O ATOM 614 NE2 GLN A 40 27.328 -18.806 -5.921 1.00 20.34 N ATOM 0 H GLN A 40 24.171 -14.008 -5.248 1.00 22.14 H new ATOM 0 HA GLN A 40 25.065 -14.980 -7.882 1.00 65.32 H new ATOM 0 HB2 GLN A 40 24.250 -16.236 -5.269 1.00 10.22 H new ATOM 0 HB3 GLN A 40 24.018 -17.150 -6.747 1.00 10.22 H new ATOM 0 HG2 GLN A 40 26.434 -16.862 -7.287 1.00 24.25 H new ATOM 0 HG3 GLN A 40 26.655 -15.987 -5.785 1.00 24.25 H new ATOM 0 HE21 GLN A 40 27.931 -18.473 -6.673 1.00 20.34 H new ATOM 0 HE22 GLN A 40 27.526 -19.697 -5.466 1.00 20.34 H new ATOM 623 N GLN A 41 22.055 -14.286 -7.010 1.00 15.03 N ATOM 624 CA GLN A 41 20.671 -14.199 -7.461 1.00 52.12 C ATOM 625 C GLN A 41 20.412 -12.874 -8.170 1.00 51.33 C ATOM 626 O GLN A 41 21.046 -11.863 -7.868 1.00 51.40 O ATOM 627 CB GLN A 41 19.715 -14.352 -6.277 1.00 21.33 C ATOM 628 CG GLN A 41 19.610 -13.105 -5.415 1.00 14.34 C ATOM 629 CD GLN A 41 19.023 -13.389 -4.046 1.00 52.00 C ATOM 630 OE1 GLN A 41 18.010 -12.806 -3.659 1.00 14.00 O ATOM 631 NE2 GLN A 41 19.658 -14.289 -3.305 1.00 32.33 N ATOM 0 H GLN A 41 22.268 -13.718 -6.190 1.00 15.03 H new ATOM 0 HA GLN A 41 20.495 -15.010 -8.168 1.00 52.12 H new ATOM 0 HB2 GLN A 41 18.724 -14.609 -6.652 1.00 21.33 H new ATOM 0 HB3 GLN A 41 20.048 -15.185 -5.657 1.00 21.33 H new ATOM 0 HG2 GLN A 41 20.600 -12.665 -5.297 1.00 14.34 H new ATOM 0 HG3 GLN A 41 18.992 -12.366 -5.925 1.00 14.34 H new ATOM 0 HE21 GLN A 41 20.494 -14.748 -3.666 1.00 32.33 H new ATOM 0 HE22 GLN A 41 19.309 -14.521 -2.375 1.00 32.33 H new ATOM 640 N ARG A 42 19.477 -12.886 -9.115 1.00 21.41 N ATOM 641 CA ARG A 42 19.136 -11.686 -9.868 1.00 53.22 C ATOM 642 C ARG A 42 17.622 -11.510 -9.954 1.00 5.30 C ATOM 643 O ARG A 42 16.875 -12.487 -10.010 1.00 60.21 O ATOM 644 CB ARG A 42 19.733 -11.754 -11.275 1.00 54.21 C ATOM 645 CG ARG A 42 20.025 -10.390 -11.879 1.00 75.04 C ATOM 646 CD ARG A 42 20.807 -10.512 -13.177 1.00 43.14 C ATOM 647 NE ARG A 42 20.845 -9.252 -13.914 1.00 53.44 N ATOM 648 CZ ARG A 42 21.656 -8.245 -13.609 1.00 20.23 C ATOM 649 NH1 ARG A 42 22.493 -8.351 -12.586 1.00 21.40 N ATOM 650 NH2 ARG A 42 21.631 -7.130 -14.327 1.00 45.10 N ATOM 0 H ARG A 42 18.942 -13.714 -9.377 1.00 21.41 H new ATOM 0 HA ARG A 42 19.555 -10.827 -9.344 1.00 53.22 H new ATOM 0 HB2 ARG A 42 20.656 -12.332 -11.241 1.00 54.21 H new ATOM 0 HB3 ARG A 42 19.044 -12.291 -11.927 1.00 54.21 H new ATOM 0 HG2 ARG A 42 19.088 -9.865 -12.065 1.00 75.04 H new ATOM 0 HG3 ARG A 42 20.591 -9.789 -11.167 1.00 75.04 H new ATOM 0 HD2 ARG A 42 21.825 -10.835 -12.958 1.00 43.14 H new ATOM 0 HD3 ARG A 42 20.356 -11.283 -13.801 1.00 43.14 H new ATOM 0 HE ARG A 42 20.214 -9.139 -14.707 1.00 53.44 H new ATOM 0 HH11 ARG A 42 22.515 -9.207 -12.032 1.00 21.40 H new ATOM 0 HH12 ARG A 42 23.115 -7.577 -12.354 1.00 21.40 H new ATOM 0 HH21 ARG A 42 20.988 -7.045 -15.115 1.00 45.10 H new ATOM 0 HH22 ARG A 42 22.254 -6.358 -14.092 1.00 45.10 H new ATOM 664 N LEU A 43 17.177 -10.258 -9.963 1.00 64.12 N ATOM 665 CA LEU A 43 15.753 -9.953 -10.042 1.00 20.14 C ATOM 666 C LEU A 43 15.318 -9.753 -11.490 1.00 32.41 C ATOM 667 O LEU A 43 16.025 -9.127 -12.280 1.00 13.33 O ATOM 668 CB LEU A 43 15.434 -8.700 -9.224 1.00 32.41 C ATOM 669 CG LEU A 43 13.979 -8.540 -8.782 1.00 53.23 C ATOM 670 CD1 LEU A 43 13.892 -7.681 -7.530 1.00 45.13 C ATOM 671 CD2 LEU A 43 13.145 -7.937 -9.903 1.00 75.13 C ATOM 0 H LEU A 43 17.782 -9.438 -9.917 1.00 64.12 H new ATOM 0 HA LEU A 43 15.202 -10.799 -9.630 1.00 20.14 H new ATOM 0 HB2 LEU A 43 16.065 -8.700 -8.335 1.00 32.41 H new ATOM 0 HB3 LEU A 43 15.712 -7.826 -9.812 1.00 32.41 H new ATOM 0 HG LEU A 43 13.580 -9.527 -8.549 1.00 53.23 H new ATOM 0 HD11 LEU A 43 12.849 -7.579 -7.231 1.00 45.13 H new ATOM 0 HD12 LEU A 43 14.456 -8.153 -6.725 1.00 45.13 H new ATOM 0 HD13 LEU A 43 14.309 -6.695 -7.735 1.00 45.13 H new ATOM 0 HD21 LEU A 43 12.112 -7.830 -9.571 1.00 75.13 H new ATOM 0 HD22 LEU A 43 13.544 -6.958 -10.167 1.00 75.13 H new ATOM 0 HD23 LEU A 43 13.180 -8.591 -10.775 1.00 75.13 H new ATOM 683 N ILE A 44 14.150 -10.288 -11.830 1.00 62.34 N ATOM 684 CA ILE A 44 13.620 -10.166 -13.183 1.00 13.25 C ATOM 685 C ILE A 44 12.142 -9.789 -13.161 1.00 42.03 C ATOM 686 O ILE A 44 11.381 -10.266 -12.319 1.00 51.33 O ATOM 687 CB ILE A 44 13.793 -11.474 -13.976 1.00 32.40 C ATOM 688 CG1 ILE A 44 15.242 -11.957 -13.895 1.00 64.32 C ATOM 689 CG2 ILE A 44 13.375 -11.274 -15.425 1.00 65.22 C ATOM 690 CD1 ILE A 44 15.465 -13.311 -14.533 1.00 51.45 C ATOM 0 H ILE A 44 13.553 -10.810 -11.188 1.00 62.34 H new ATOM 0 HA ILE A 44 14.188 -9.376 -13.675 1.00 13.25 H new ATOM 0 HB ILE A 44 13.151 -12.237 -13.535 1.00 32.40 H new ATOM 0 HG12 ILE A 44 15.888 -11.225 -14.380 1.00 64.32 H new ATOM 0 HG13 ILE A 44 15.543 -12.004 -12.848 1.00 64.32 H new ATOM 0 HG21 ILE A 44 13.503 -12.208 -15.973 1.00 65.22 H new ATOM 0 HG22 ILE A 44 12.329 -10.971 -15.463 1.00 65.22 H new ATOM 0 HG23 ILE A 44 13.994 -10.499 -15.879 1.00 65.22 H new ATOM 0 HD11 ILE A 44 16.515 -13.590 -14.438 1.00 51.45 H new ATOM 0 HD12 ILE A 44 14.845 -14.055 -14.033 1.00 51.45 H new ATOM 0 HD13 ILE A 44 15.196 -13.265 -15.588 1.00 51.45 H new ATOM 702 N PHE A 45 11.743 -8.931 -14.094 1.00 75.44 N ATOM 703 CA PHE A 45 10.355 -8.491 -14.184 1.00 3.30 C ATOM 704 C PHE A 45 9.823 -8.655 -15.605 1.00 2.44 C ATOM 705 O PHE A 45 10.183 -7.897 -16.505 1.00 4.00 O ATOM 706 CB PHE A 45 10.233 -7.029 -13.747 1.00 30.51 C ATOM 707 CG PHE A 45 8.832 -6.495 -13.827 1.00 74.04 C ATOM 708 CD1 PHE A 45 8.021 -6.467 -12.704 1.00 42.40 C ATOM 709 CD2 PHE A 45 8.325 -6.022 -15.027 1.00 14.51 C ATOM 710 CE1 PHE A 45 6.731 -5.975 -12.775 1.00 22.14 C ATOM 711 CE2 PHE A 45 7.036 -5.528 -15.103 1.00 73.54 C ATOM 712 CZ PHE A 45 6.238 -5.506 -13.976 1.00 74.42 C ATOM 0 H PHE A 45 12.360 -8.527 -14.798 1.00 75.44 H new ATOM 0 HA PHE A 45 9.758 -9.114 -13.518 1.00 3.30 H new ATOM 0 HB2 PHE A 45 10.592 -6.933 -12.722 1.00 30.51 H new ATOM 0 HB3 PHE A 45 10.883 -6.416 -14.371 1.00 30.51 H new ATOM 0 HD1 PHE A 45 8.401 -6.834 -11.762 1.00 42.40 H new ATOM 0 HD2 PHE A 45 8.943 -6.040 -15.912 1.00 14.51 H new ATOM 0 HE1 PHE A 45 6.110 -5.958 -11.892 1.00 22.14 H new ATOM 0 HE2 PHE A 45 6.653 -5.159 -16.043 1.00 73.54 H new ATOM 0 HZ PHE A 45 5.230 -5.123 -14.034 1.00 74.42 H new ATOM 722 N ALA A 46 8.964 -9.650 -15.797 1.00 61.11 N ATOM 723 CA ALA A 46 8.381 -9.913 -17.107 1.00 31.53 C ATOM 724 C ALA A 46 9.461 -10.012 -18.179 1.00 12.22 C ATOM 725 O ALA A 46 9.241 -9.640 -19.331 1.00 4.33 O ATOM 726 CB ALA A 46 7.376 -8.828 -17.465 1.00 21.51 C ATOM 0 H ALA A 46 8.656 -10.287 -15.062 1.00 61.11 H new ATOM 0 HA ALA A 46 7.863 -10.871 -17.061 1.00 31.53 H new ATOM 0 HB1 ALA A 46 6.949 -9.037 -18.446 1.00 21.51 H new ATOM 0 HB2 ALA A 46 6.581 -8.808 -16.719 1.00 21.51 H new ATOM 0 HB3 ALA A 46 7.877 -7.860 -17.487 1.00 21.51 H new ATOM 732 N GLY A 47 10.629 -10.515 -17.791 1.00 60.25 N ATOM 733 CA GLY A 47 11.726 -10.652 -18.732 1.00 20.34 C ATOM 734 C GLY A 47 12.642 -9.445 -18.733 1.00 43.25 C ATOM 735 O GLY A 47 13.417 -9.245 -19.669 1.00 61.02 O ATOM 0 H GLY A 47 10.835 -10.830 -16.843 1.00 60.25 H new ATOM 0 HA2 GLY A 47 12.304 -11.543 -18.485 1.00 20.34 H new ATOM 0 HA3 GLY A 47 11.325 -10.801 -19.734 1.00 20.34 H new ATOM 739 N LYS A 48 12.554 -8.635 -17.684 1.00 32.35 N ATOM 740 CA LYS A 48 13.381 -7.440 -17.566 1.00 73.15 C ATOM 741 C LYS A 48 14.352 -7.563 -16.397 1.00 13.34 C ATOM 742 O LYS A 48 13.937 -7.719 -15.249 1.00 31.04 O ATOM 743 CB LYS A 48 12.500 -6.202 -17.385 1.00 2.44 C ATOM 744 CG LYS A 48 11.596 -5.918 -18.572 1.00 22.41 C ATOM 745 CD LYS A 48 12.346 -5.209 -19.687 1.00 11.42 C ATOM 746 CE LYS A 48 11.395 -4.686 -20.753 1.00 63.21 C ATOM 747 NZ LYS A 48 10.641 -3.490 -20.286 1.00 44.01 N ATOM 0 H LYS A 48 11.917 -8.785 -16.902 1.00 32.35 H new ATOM 0 HA LYS A 48 13.959 -7.336 -18.484 1.00 73.15 H new ATOM 0 HB2 LYS A 48 11.885 -6.331 -16.494 1.00 2.44 H new ATOM 0 HB3 LYS A 48 13.138 -5.336 -17.209 1.00 2.44 H new ATOM 0 HG2 LYS A 48 11.183 -6.854 -18.948 1.00 22.41 H new ATOM 0 HG3 LYS A 48 10.754 -5.304 -18.251 1.00 22.41 H new ATOM 0 HD2 LYS A 48 12.920 -4.381 -19.272 1.00 11.42 H new ATOM 0 HD3 LYS A 48 13.061 -5.896 -20.141 1.00 11.42 H new ATOM 0 HE2 LYS A 48 11.960 -4.432 -21.650 1.00 63.21 H new ATOM 0 HE3 LYS A 48 10.693 -5.472 -21.030 1.00 63.21 H new ATOM 0 HZ1 LYS A 48 10.134 -3.064 -21.088 1.00 44.01 H new ATOM 0 HZ2 LYS A 48 9.957 -3.774 -19.556 1.00 44.01 H new ATOM 0 HZ3 LYS A 48 11.304 -2.795 -19.887 1.00 44.01 H new ATOM 761 N GLN A 49 15.645 -7.489 -16.696 1.00 75.33 N ATOM 762 CA GLN A 49 16.673 -7.591 -15.668 1.00 65.42 C ATOM 763 C GLN A 49 16.768 -6.300 -14.862 1.00 73.21 C ATOM 764 O GLN A 49 17.132 -5.250 -15.393 1.00 15.32 O ATOM 765 CB GLN A 49 18.028 -7.911 -16.303 1.00 3.53 C ATOM 766 CG GLN A 49 18.040 -9.211 -17.090 1.00 41.34 C ATOM 767 CD GLN A 49 19.357 -9.450 -17.802 1.00 22.23 C ATOM 768 OE1 GLN A 49 19.711 -8.731 -18.737 1.00 34.31 O ATOM 769 NE2 GLN A 49 20.092 -10.465 -17.361 1.00 43.42 N ATOM 0 H GLN A 49 16.005 -7.359 -17.641 1.00 75.33 H new ATOM 0 HA GLN A 49 16.396 -8.400 -14.992 1.00 65.42 H new ATOM 0 HB2 GLN A 49 18.312 -7.093 -16.965 1.00 3.53 H new ATOM 0 HB3 GLN A 49 18.784 -7.964 -15.519 1.00 3.53 H new ATOM 0 HG2 GLN A 49 17.841 -10.042 -16.414 1.00 41.34 H new ATOM 0 HG3 GLN A 49 17.233 -9.195 -17.822 1.00 41.34 H new ATOM 0 HE21 GLN A 49 19.760 -11.035 -16.583 1.00 43.42 H new ATOM 0 HE22 GLN A 49 20.988 -10.674 -17.800 1.00 43.42 H new ATOM 778 N LEU A 50 16.438 -6.385 -13.578 1.00 54.22 N ATOM 779 CA LEU A 50 16.485 -5.222 -12.698 1.00 34.41 C ATOM 780 C LEU A 50 17.771 -5.212 -11.878 1.00 33.11 C ATOM 781 O LEU A 50 18.367 -6.259 -11.629 1.00 65.14 O ATOM 782 CB LEU A 50 15.272 -5.215 -11.766 1.00 12.33 C ATOM 783 CG LEU A 50 13.924 -4.910 -12.420 1.00 40.43 C ATOM 784 CD1 LEU A 50 13.252 -6.193 -12.881 1.00 73.43 C ATOM 785 CD2 LEU A 50 13.023 -4.150 -11.457 1.00 44.34 C ATOM 0 H LEU A 50 16.135 -7.246 -13.123 1.00 54.22 H new ATOM 0 HA LEU A 50 16.464 -4.326 -13.318 1.00 34.41 H new ATOM 0 HB2 LEU A 50 15.206 -6.189 -11.281 1.00 12.33 H new ATOM 0 HB3 LEU A 50 15.447 -4.480 -10.981 1.00 12.33 H new ATOM 0 HG LEU A 50 14.100 -4.282 -13.293 1.00 40.43 H new ATOM 0 HD11 LEU A 50 12.294 -5.956 -13.344 1.00 73.43 H new ATOM 0 HD12 LEU A 50 13.890 -6.698 -13.606 1.00 73.43 H new ATOM 0 HD13 LEU A 50 13.089 -6.847 -12.024 1.00 73.43 H new ATOM 0 HD21 LEU A 50 12.068 -3.942 -11.940 1.00 44.34 H new ATOM 0 HD22 LEU A 50 12.855 -4.752 -10.564 1.00 44.34 H new ATOM 0 HD23 LEU A 50 13.500 -3.211 -11.176 1.00 44.34 H new ATOM 797 N GLU A 51 18.190 -4.022 -11.459 1.00 60.11 N ATOM 798 CA GLU A 51 19.405 -3.877 -10.666 1.00 13.34 C ATOM 799 C GLU A 51 19.069 -3.636 -9.197 1.00 24.25 C ATOM 800 O GLU A 51 17.960 -3.219 -8.862 1.00 45.22 O ATOM 801 CB GLU A 51 20.255 -2.723 -11.201 1.00 65.34 C ATOM 802 CG GLU A 51 21.219 -3.137 -12.301 1.00 74.13 C ATOM 803 CD GLU A 51 22.346 -4.013 -11.790 1.00 44.53 C ATOM 804 OE1 GLU A 51 22.532 -4.079 -10.557 1.00 64.41 O ATOM 805 OE2 GLU A 51 23.043 -4.630 -12.623 1.00 33.14 O ATOM 0 H GLU A 51 17.707 -3.146 -11.655 1.00 60.11 H new ATOM 0 HA GLU A 51 19.973 -4.804 -10.745 1.00 13.34 H new ATOM 0 HB2 GLU A 51 19.596 -1.943 -11.582 1.00 65.34 H new ATOM 0 HB3 GLU A 51 20.821 -2.288 -10.378 1.00 65.34 H new ATOM 0 HG2 GLU A 51 20.671 -3.672 -13.077 1.00 74.13 H new ATOM 0 HG3 GLU A 51 21.639 -2.245 -12.765 1.00 74.13 H new ATOM 812 N ASP A 52 20.035 -3.903 -8.324 1.00 61.02 N ATOM 813 CA ASP A 52 19.844 -3.716 -6.891 1.00 13.43 C ATOM 814 C ASP A 52 19.709 -2.235 -6.549 1.00 44.24 C ATOM 815 O ASP A 52 19.189 -1.876 -5.494 1.00 15.35 O ATOM 816 CB ASP A 52 21.011 -4.327 -6.114 1.00 43.25 C ATOM 817 CG ASP A 52 22.274 -3.494 -6.217 1.00 51.20 C ATOM 818 OD1 ASP A 52 22.708 -2.945 -5.183 1.00 4.42 O ATOM 819 OD2 ASP A 52 22.828 -3.392 -7.331 1.00 50.23 O ATOM 0 H ASP A 52 20.958 -4.250 -8.584 1.00 61.02 H new ATOM 0 HA ASP A 52 18.922 -4.222 -6.604 1.00 13.43 H new ATOM 0 HB2 ASP A 52 20.731 -4.430 -5.065 1.00 43.25 H new ATOM 0 HB3 ASP A 52 21.209 -5.330 -6.491 1.00 43.25 H new ATOM 824 N SER A 53 20.184 -1.380 -7.450 1.00 11.22 N ATOM 825 CA SER A 53 20.121 0.062 -7.242 1.00 3.10 C ATOM 826 C SER A 53 18.909 0.661 -7.949 1.00 32.35 C ATOM 827 O SER A 53 18.906 1.836 -8.314 1.00 12.51 O ATOM 828 CB SER A 53 21.402 0.728 -7.750 1.00 32.14 C ATOM 829 OG SER A 53 21.372 2.127 -7.527 1.00 53.13 O ATOM 0 H SER A 53 20.616 -1.661 -8.330 1.00 11.22 H new ATOM 0 HA SER A 53 20.023 0.246 -6.172 1.00 3.10 H new ATOM 0 HB2 SER A 53 22.266 0.295 -7.246 1.00 32.14 H new ATOM 0 HB3 SER A 53 21.522 0.529 -8.815 1.00 32.14 H new ATOM 0 HG SER A 53 20.489 2.478 -7.769 1.00 53.13 H new ATOM 835 N LYS A 54 17.879 -0.157 -8.138 1.00 60.20 N ATOM 836 CA LYS A 54 16.659 0.289 -8.799 1.00 75.14 C ATOM 837 C LYS A 54 15.482 0.288 -7.829 1.00 30.44 C ATOM 838 O LYS A 54 15.601 -0.171 -6.692 1.00 5.01 O ATOM 839 CB LYS A 54 16.346 -0.610 -9.998 1.00 14.12 C ATOM 840 CG LYS A 54 17.398 -0.554 -11.092 1.00 1.55 C ATOM 841 CD LYS A 54 17.382 0.784 -11.813 1.00 32.23 C ATOM 842 CE LYS A 54 16.303 0.826 -12.884 1.00 43.05 C ATOM 843 NZ LYS A 54 16.719 0.103 -14.118 1.00 72.31 N ATOM 0 H LYS A 54 17.865 -1.133 -7.842 1.00 60.20 H new ATOM 0 HA LYS A 54 16.818 1.309 -9.149 1.00 75.14 H new ATOM 0 HB2 LYS A 54 16.247 -1.639 -9.653 1.00 14.12 H new ATOM 0 HB3 LYS A 54 15.382 -0.320 -10.417 1.00 14.12 H new ATOM 0 HG2 LYS A 54 18.384 -0.723 -10.659 1.00 1.55 H new ATOM 0 HG3 LYS A 54 17.222 -1.357 -11.808 1.00 1.55 H new ATOM 0 HD2 LYS A 54 17.213 1.585 -11.093 1.00 32.23 H new ATOM 0 HD3 LYS A 54 18.356 0.965 -12.268 1.00 32.23 H new ATOM 0 HE2 LYS A 54 15.387 0.382 -12.494 1.00 43.05 H new ATOM 0 HE3 LYS A 54 16.075 1.863 -13.130 1.00 43.05 H new ATOM 0 HZ1 LYS A 54 16.851 0.785 -14.892 1.00 72.31 H new ATOM 0 HZ2 LYS A 54 17.613 -0.399 -13.942 1.00 72.31 H new ATOM 0 HZ3 LYS A 54 15.984 -0.583 -14.383 1.00 72.31 H new ATOM 857 N THR A 55 14.344 0.803 -8.284 1.00 60.51 N ATOM 858 CA THR A 55 13.146 0.860 -7.456 1.00 51.33 C ATOM 859 C THR A 55 11.889 0.645 -8.292 1.00 43.10 C ATOM 860 O THR A 55 11.941 0.654 -9.522 1.00 25.25 O ATOM 861 CB THR A 55 13.035 2.210 -6.722 1.00 22.44 C ATOM 862 OG1 THR A 55 12.627 3.233 -7.636 1.00 1.30 O ATOM 863 CG2 THR A 55 14.364 2.590 -6.086 1.00 51.53 C ATOM 0 H THR A 55 14.227 1.187 -9.222 1.00 60.51 H new ATOM 0 HA THR A 55 13.231 0.060 -6.721 1.00 51.33 H new ATOM 0 HB THR A 55 12.288 2.110 -5.934 1.00 22.44 H new ATOM 0 HG1 THR A 55 12.557 4.087 -7.161 1.00 1.30 H new ATOM 0 HG21 THR A 55 14.262 3.547 -5.573 1.00 51.53 H new ATOM 0 HG22 THR A 55 14.656 1.823 -5.369 1.00 51.53 H new ATOM 0 HG23 THR A 55 15.127 2.673 -6.860 1.00 51.53 H new ATOM 871 N MET A 56 10.761 0.453 -7.617 1.00 31.22 N ATOM 872 CA MET A 56 9.490 0.237 -8.299 1.00 0.33 C ATOM 873 C MET A 56 9.052 1.495 -9.043 1.00 65.43 C ATOM 874 O MET A 56 8.502 1.417 -10.141 1.00 44.03 O ATOM 875 CB MET A 56 8.412 -0.176 -7.295 1.00 30.30 C ATOM 876 CG MET A 56 8.665 -1.532 -6.655 1.00 40.14 C ATOM 877 SD MET A 56 8.273 -2.904 -7.758 1.00 13.14 S ATOM 878 CE MET A 56 9.840 -3.770 -7.791 1.00 61.11 C ATOM 0 H MET A 56 10.701 0.443 -6.599 1.00 31.22 H new ATOM 0 HA MET A 56 9.627 -0.565 -9.025 1.00 0.33 H new ATOM 0 HB2 MET A 56 8.347 0.580 -6.512 1.00 30.30 H new ATOM 0 HB3 MET A 56 7.446 -0.196 -7.799 1.00 30.30 H new ATOM 0 HG2 MET A 56 9.711 -1.599 -6.356 1.00 40.14 H new ATOM 0 HG3 MET A 56 8.068 -1.618 -5.747 1.00 40.14 H new ATOM 0 HE1 MET A 56 9.828 -4.514 -8.588 1.00 61.11 H new ATOM 0 HE2 MET A 56 10.645 -3.058 -7.971 1.00 61.11 H new ATOM 0 HE3 MET A 56 10.002 -4.266 -6.834 1.00 61.11 H new ATOM 888 N ALA A 57 9.300 2.652 -8.438 1.00 63.33 N ATOM 889 CA ALA A 57 8.933 3.925 -9.045 1.00 43.12 C ATOM 890 C ALA A 57 9.730 4.175 -10.321 1.00 70.23 C ATOM 891 O ALA A 57 9.292 4.914 -11.203 1.00 71.43 O ATOM 892 CB ALA A 57 9.146 5.062 -8.057 1.00 25.24 C ATOM 0 H ALA A 57 9.754 2.734 -7.528 1.00 63.33 H new ATOM 0 HA ALA A 57 7.877 3.881 -9.310 1.00 43.12 H new ATOM 0 HB1 ALA A 57 8.868 6.007 -8.524 1.00 25.24 H new ATOM 0 HB2 ALA A 57 8.528 4.898 -7.174 1.00 25.24 H new ATOM 0 HB3 ALA A 57 10.195 5.097 -7.764 1.00 25.24 H new ATOM 898 N ASP A 58 10.902 3.555 -10.412 1.00 54.43 N ATOM 899 CA ASP A 58 11.760 3.710 -11.581 1.00 54.43 C ATOM 900 C ASP A 58 11.138 3.043 -12.804 1.00 52.11 C ATOM 901 O ASP A 58 11.087 3.630 -13.885 1.00 72.14 O ATOM 902 CB ASP A 58 13.142 3.116 -11.308 1.00 61.12 C ATOM 903 CG ASP A 58 14.025 3.115 -12.540 1.00 64.42 C ATOM 904 OD1 ASP A 58 14.975 3.925 -12.591 1.00 73.20 O ATOM 905 OD2 ASP A 58 13.768 2.303 -13.453 1.00 62.33 O ATOM 0 H ASP A 58 11.279 2.941 -9.690 1.00 54.43 H new ATOM 0 HA ASP A 58 11.865 4.776 -11.785 1.00 54.43 H new ATOM 0 HB2 ASP A 58 13.629 3.685 -10.516 1.00 61.12 H new ATOM 0 HB3 ASP A 58 13.030 2.095 -10.944 1.00 61.12 H new ATOM 910 N TYR A 59 10.667 1.814 -12.626 1.00 24.24 N ATOM 911 CA TYR A 59 10.052 1.065 -13.715 1.00 43.11 C ATOM 912 C TYR A 59 8.568 1.399 -13.836 1.00 25.02 C ATOM 913 O TYR A 59 7.894 0.951 -14.762 1.00 15.04 O ATOM 914 CB TYR A 59 10.232 -0.438 -13.494 1.00 51.23 C ATOM 915 CG TYR A 59 11.514 -0.986 -14.078 1.00 23.41 C ATOM 916 CD1 TYR A 59 12.637 -1.179 -13.281 1.00 55.33 C ATOM 917 CD2 TYR A 59 11.604 -1.312 -15.426 1.00 3.43 C ATOM 918 CE1 TYR A 59 13.811 -1.679 -13.810 1.00 74.12 C ATOM 919 CE2 TYR A 59 12.774 -1.814 -15.963 1.00 13.13 C ATOM 920 CZ TYR A 59 13.874 -1.996 -15.151 1.00 41.41 C ATOM 921 OH TYR A 59 15.041 -2.494 -15.683 1.00 23.44 O ATOM 0 H TYR A 59 10.699 1.315 -11.737 1.00 24.24 H new ATOM 0 HA TYR A 59 10.547 1.351 -14.643 1.00 43.11 H new ATOM 0 HB2 TYR A 59 10.213 -0.644 -12.424 1.00 51.23 H new ATOM 0 HB3 TYR A 59 9.387 -0.966 -13.936 1.00 51.23 H new ATOM 0 HD1 TYR A 59 12.591 -0.934 -12.230 1.00 55.33 H new ATOM 0 HD2 TYR A 59 10.745 -1.171 -16.065 1.00 3.43 H new ATOM 0 HE1 TYR A 59 14.675 -1.821 -13.177 1.00 74.12 H new ATOM 0 HE2 TYR A 59 12.827 -2.062 -17.013 1.00 13.13 H new ATOM 0 HH TYR A 59 14.917 -2.666 -16.640 1.00 23.44 H new ATOM 931 N ASN A 60 8.068 2.190 -12.892 1.00 41.24 N ATOM 932 CA ASN A 60 6.664 2.585 -12.892 1.00 2.43 C ATOM 933 C ASN A 60 5.757 1.370 -12.723 1.00 41.40 C ATOM 934 O ASN A 60 4.644 1.337 -13.248 1.00 71.33 O ATOM 935 CB ASN A 60 6.318 3.318 -14.190 1.00 24.22 C ATOM 936 CG ASN A 60 7.312 4.416 -14.516 1.00 52.12 C ATOM 937 OD1 ASN A 60 7.220 5.527 -13.994 1.00 12.02 O ATOM 938 ND2 ASN A 60 8.268 4.109 -15.385 1.00 5.43 N ATOM 0 H ASN A 60 8.613 2.570 -12.118 1.00 41.24 H new ATOM 0 HA ASN A 60 6.502 3.257 -12.049 1.00 2.43 H new ATOM 0 HB2 ASN A 60 6.289 2.602 -15.012 1.00 24.22 H new ATOM 0 HB3 ASN A 60 5.320 3.748 -14.106 1.00 24.22 H new ATOM 0 HD21 ASN A 60 8.965 4.807 -15.645 1.00 5.43 H new ATOM 0 HD22 ASN A 60 8.306 3.175 -15.793 1.00 5.43 H new ATOM 945 N ILE A 61 6.241 0.376 -11.987 1.00 33.41 N ATOM 946 CA ILE A 61 5.473 -0.840 -11.748 1.00 21.24 C ATOM 947 C ILE A 61 4.996 -0.913 -10.301 1.00 72.22 C ATOM 948 O ILE A 61 5.800 -1.032 -9.378 1.00 24.33 O ATOM 949 CB ILE A 61 6.299 -2.100 -12.068 1.00 43.10 C ATOM 950 CG1 ILE A 61 7.715 -1.964 -11.505 1.00 25.30 C ATOM 951 CG2 ILE A 61 6.341 -2.338 -13.570 1.00 41.00 C ATOM 952 CD1 ILE A 61 8.551 -3.216 -11.662 1.00 15.21 C ATOM 0 H ILE A 61 7.161 0.388 -11.546 1.00 33.41 H new ATOM 0 HA ILE A 61 4.609 -0.803 -12.412 1.00 21.24 H new ATOM 0 HB ILE A 61 5.822 -2.959 -11.597 1.00 43.10 H new ATOM 0 HG12 ILE A 61 8.218 -1.136 -12.005 1.00 25.30 H new ATOM 0 HG13 ILE A 61 7.654 -1.708 -10.447 1.00 25.30 H new ATOM 0 HG21 ILE A 61 6.928 -3.232 -13.780 1.00 41.00 H new ATOM 0 HG22 ILE A 61 5.327 -2.474 -13.945 1.00 41.00 H new ATOM 0 HG23 ILE A 61 6.798 -1.479 -14.062 1.00 41.00 H new ATOM 0 HD11 ILE A 61 9.542 -3.047 -11.241 1.00 15.21 H new ATOM 0 HD12 ILE A 61 8.070 -4.042 -11.138 1.00 15.21 H new ATOM 0 HD13 ILE A 61 8.643 -3.461 -12.720 1.00 15.21 H new ATOM 964 N GLN A 62 3.682 -0.843 -10.113 1.00 51.21 N ATOM 965 CA GLN A 62 3.098 -0.902 -8.779 1.00 35.24 C ATOM 966 C GLN A 62 1.641 -1.350 -8.842 1.00 30.04 C ATOM 967 O GLN A 62 1.126 -1.677 -9.911 1.00 65.51 O ATOM 968 CB GLN A 62 3.195 0.463 -8.095 1.00 74.21 C ATOM 969 CG GLN A 62 4.551 0.732 -7.463 1.00 72.40 C ATOM 970 CD GLN A 62 4.529 1.916 -6.518 1.00 5.54 C ATOM 971 OE1 GLN A 62 3.523 2.617 -6.405 1.00 3.42 O ATOM 972 NE2 GLN A 62 5.643 2.147 -5.831 1.00 72.25 N ATOM 0 H GLN A 62 3.002 -0.745 -10.867 1.00 51.21 H new ATOM 0 HA GLN A 62 3.659 -1.633 -8.196 1.00 35.24 H new ATOM 0 HB2 GLN A 62 2.984 1.243 -8.827 1.00 74.21 H new ATOM 0 HB3 GLN A 62 2.425 0.530 -7.326 1.00 74.21 H new ATOM 0 HG2 GLN A 62 4.877 -0.155 -6.920 1.00 72.40 H new ATOM 0 HG3 GLN A 62 5.285 0.913 -8.249 1.00 72.40 H new ATOM 0 HE21 GLN A 62 6.454 1.541 -5.955 1.00 72.25 H new ATOM 0 HE22 GLN A 62 5.687 2.931 -5.179 1.00 72.25 H new ATOM 981 N LYS A 63 0.981 -1.363 -7.689 1.00 13.54 N ATOM 982 CA LYS A 63 -0.417 -1.769 -7.611 1.00 74.24 C ATOM 983 C LYS A 63 -0.589 -3.216 -8.064 1.00 51.43 C ATOM 984 O LYS A 63 -0.997 -3.476 -9.195 1.00 61.55 O ATOM 985 CB LYS A 63 -1.286 -0.848 -8.471 1.00 31.00 C ATOM 986 CG LYS A 63 -1.179 0.619 -8.091 1.00 25.42 C ATOM 987 CD LYS A 63 -1.504 1.525 -9.266 1.00 75.43 C ATOM 988 CE LYS A 63 -0.277 1.785 -10.126 1.00 53.23 C ATOM 989 NZ LYS A 63 -0.091 0.730 -11.161 1.00 2.33 N ATOM 0 H LYS A 63 1.393 -1.097 -6.795 1.00 13.54 H new ATOM 0 HA LYS A 63 -0.734 -1.691 -6.571 1.00 74.24 H new ATOM 0 HB2 LYS A 63 -1.001 -0.966 -9.517 1.00 31.00 H new ATOM 0 HB3 LYS A 63 -2.327 -1.161 -8.387 1.00 31.00 H new ATOM 0 HG2 LYS A 63 -1.859 0.833 -7.267 1.00 25.42 H new ATOM 0 HG3 LYS A 63 -0.171 0.831 -7.735 1.00 25.42 H new ATOM 0 HD2 LYS A 63 -2.285 1.068 -9.874 1.00 75.43 H new ATOM 0 HD3 LYS A 63 -1.899 2.472 -8.898 1.00 75.43 H new ATOM 0 HE2 LYS A 63 -0.373 2.757 -10.611 1.00 53.23 H new ATOM 0 HE3 LYS A 63 0.608 1.831 -9.491 1.00 53.23 H new ATOM 0 HZ1 LYS A 63 0.477 1.109 -11.945 1.00 2.33 H new ATOM 0 HZ2 LYS A 63 0.399 -0.086 -10.741 1.00 2.33 H new ATOM 0 HZ3 LYS A 63 -1.019 0.429 -11.520 1.00 2.33 H new ATOM 1003 N GLU A 64 -0.276 -4.151 -7.173 1.00 74.20 N ATOM 1004 CA GLU A 64 -0.397 -5.571 -7.483 1.00 14.04 C ATOM 1005 C GLU A 64 0.538 -5.961 -8.624 1.00 11.33 C ATOM 1006 O GLU A 64 0.307 -6.949 -9.320 1.00 32.11 O ATOM 1007 CB GLU A 64 -1.842 -5.914 -7.853 1.00 1.30 C ATOM 1008 CG GLU A 64 -2.874 -5.244 -6.962 1.00 11.33 C ATOM 1009 CD GLU A 64 -4.202 -5.975 -6.956 1.00 34.04 C ATOM 1010 OE1 GLU A 64 -4.504 -6.663 -7.953 1.00 75.31 O ATOM 1011 OE2 GLU A 64 -4.940 -5.859 -5.955 1.00 24.25 O ATOM 0 H GLU A 64 0.063 -3.952 -6.232 1.00 74.20 H new ATOM 0 HA GLU A 64 -0.113 -6.136 -6.595 1.00 14.04 H new ATOM 0 HB2 GLU A 64 -2.023 -5.621 -8.887 1.00 1.30 H new ATOM 0 HB3 GLU A 64 -1.975 -6.995 -7.800 1.00 1.30 H new ATOM 0 HG2 GLU A 64 -2.489 -5.190 -5.944 1.00 11.33 H new ATOM 0 HG3 GLU A 64 -3.029 -4.219 -7.299 1.00 11.33 H new ATOM 1018 N SER A 65 1.595 -5.176 -8.809 1.00 54.11 N ATOM 1019 CA SER A 65 2.563 -5.435 -9.868 1.00 20.30 C ATOM 1020 C SER A 65 3.087 -6.866 -9.786 1.00 42.22 C ATOM 1021 O SER A 65 3.485 -7.334 -8.719 1.00 64.41 O ATOM 1022 CB SER A 65 3.728 -4.447 -9.776 1.00 74.43 C ATOM 1023 OG SER A 65 3.672 -3.495 -10.824 1.00 14.53 O ATOM 0 H SER A 65 1.802 -4.356 -8.239 1.00 54.11 H new ATOM 0 HA SER A 65 2.060 -5.305 -10.826 1.00 20.30 H new ATOM 0 HB2 SER A 65 3.700 -3.936 -8.814 1.00 74.43 H new ATOM 0 HB3 SER A 65 4.673 -4.988 -9.822 1.00 74.43 H new ATOM 0 HG SER A 65 3.911 -3.926 -11.671 1.00 14.53 H new ATOM 1029 N THR A 66 3.084 -7.556 -10.922 1.00 61.42 N ATOM 1030 CA THR A 66 3.557 -8.934 -10.981 1.00 5.42 C ATOM 1031 C THR A 66 5.070 -8.988 -11.161 1.00 42.22 C ATOM 1032 O THR A 66 5.599 -8.562 -12.189 1.00 72.53 O ATOM 1033 CB THR A 66 2.887 -9.710 -12.130 1.00 13.13 C ATOM 1034 OG1 THR A 66 3.460 -11.017 -12.238 1.00 65.32 O ATOM 1035 CG2 THR A 66 3.046 -8.969 -13.449 1.00 25.31 C ATOM 0 H THR A 66 2.759 -7.183 -11.814 1.00 61.42 H new ATOM 0 HA THR A 66 3.289 -9.401 -10.033 1.00 5.42 H new ATOM 0 HB THR A 66 1.824 -9.798 -11.908 1.00 13.13 H new ATOM 0 HG1 THR A 66 3.027 -11.504 -12.970 1.00 65.32 H new ATOM 0 HG21 THR A 66 2.565 -9.537 -14.245 1.00 25.31 H new ATOM 0 HG22 THR A 66 2.582 -7.986 -13.372 1.00 25.31 H new ATOM 0 HG23 THR A 66 4.106 -8.853 -13.676 1.00 25.31 H new ATOM 1043 N LEU A 67 5.763 -9.514 -10.157 1.00 15.11 N ATOM 1044 CA LEU A 67 7.216 -9.625 -10.205 1.00 43.32 C ATOM 1045 C LEU A 67 7.647 -11.082 -10.331 1.00 64.41 C ATOM 1046 O LEU A 67 6.865 -11.997 -10.072 1.00 14.04 O ATOM 1047 CB LEU A 67 7.837 -9.004 -8.952 1.00 53.03 C ATOM 1048 CG LEU A 67 8.474 -7.626 -9.131 1.00 52.52 C ATOM 1049 CD1 LEU A 67 8.471 -6.861 -7.816 1.00 72.34 C ATOM 1050 CD2 LEU A 67 9.891 -7.759 -9.669 1.00 51.25 C ATOM 0 H LEU A 67 5.341 -9.870 -9.299 1.00 15.11 H new ATOM 0 HA LEU A 67 7.568 -9.084 -11.083 1.00 43.32 H new ATOM 0 HB2 LEU A 67 7.064 -8.928 -8.187 1.00 53.03 H new ATOM 0 HB3 LEU A 67 8.597 -9.687 -8.571 1.00 53.03 H new ATOM 0 HG LEU A 67 7.883 -7.065 -9.855 1.00 52.52 H new ATOM 0 HD11 LEU A 67 8.928 -5.883 -7.963 1.00 72.34 H new ATOM 0 HD12 LEU A 67 7.445 -6.734 -7.471 1.00 72.34 H new ATOM 0 HD13 LEU A 67 9.038 -7.418 -7.070 1.00 72.34 H new ATOM 0 HD21 LEU A 67 10.329 -6.768 -9.790 1.00 51.25 H new ATOM 0 HD22 LEU A 67 10.493 -8.339 -8.969 1.00 51.25 H new ATOM 0 HD23 LEU A 67 9.868 -8.266 -10.634 1.00 51.25 H new ATOM 1062 N HIS A 68 8.898 -11.292 -10.729 1.00 63.02 N ATOM 1063 CA HIS A 68 9.435 -12.639 -10.887 1.00 31.23 C ATOM 1064 C HIS A 68 10.776 -12.777 -10.172 1.00 52.21 C ATOM 1065 O HIS A 68 11.778 -12.201 -10.596 1.00 74.50 O ATOM 1066 CB HIS A 68 9.597 -12.976 -12.369 1.00 72.32 C ATOM 1067 CG HIS A 68 8.296 -13.169 -13.085 1.00 55.23 C ATOM 1068 ND1 HIS A 68 7.878 -14.389 -13.573 1.00 22.33 N ATOM 1069 CD2 HIS A 68 7.316 -12.287 -13.394 1.00 30.21 C ATOM 1070 CE1 HIS A 68 6.699 -14.250 -14.152 1.00 0.32 C ATOM 1071 NE2 HIS A 68 6.335 -12.984 -14.056 1.00 43.45 N ATOM 0 H HIS A 68 9.559 -10.546 -10.948 1.00 63.02 H new ATOM 0 HA HIS A 68 8.730 -13.339 -10.438 1.00 31.23 H new ATOM 0 HB2 HIS A 68 10.155 -12.176 -12.856 1.00 72.32 H new ATOM 0 HB3 HIS A 68 10.193 -13.884 -12.464 1.00 72.32 H new ATOM 0 HD2 HIS A 68 7.307 -11.232 -13.163 1.00 30.21 H new ATOM 0 HE1 HIS A 68 6.130 -15.037 -14.624 1.00 0.32 H new ATOM 0 HE2 HIS A 68 5.466 -12.588 -14.415 1.00 43.45 H new ATOM 1079 N MET A 69 10.786 -13.542 -9.086 1.00 21.23 N ATOM 1080 CA MET A 69 12.004 -13.755 -8.313 1.00 24.21 C ATOM 1081 C MET A 69 12.529 -15.175 -8.505 1.00 51.30 C ATOM 1082 O MET A 69 11.753 -16.123 -8.626 1.00 10.25 O ATOM 1083 CB MET A 69 11.745 -13.492 -6.828 1.00 52.54 C ATOM 1084 CG MET A 69 10.836 -14.522 -6.178 1.00 1.00 C ATOM 1085 SD MET A 69 10.737 -14.329 -4.388 1.00 14.00 S ATOM 1086 CE MET A 69 11.314 -15.934 -3.842 1.00 5.02 C ATOM 0 H MET A 69 9.965 -14.025 -8.721 1.00 21.23 H new ATOM 0 HA MET A 69 12.759 -13.055 -8.672 1.00 24.21 H new ATOM 0 HB2 MET A 69 12.698 -13.475 -6.299 1.00 52.54 H new ATOM 0 HB3 MET A 69 11.300 -12.504 -6.715 1.00 52.54 H new ATOM 0 HG2 MET A 69 9.836 -14.439 -6.604 1.00 1.00 H new ATOM 0 HG3 MET A 69 11.201 -15.522 -6.412 1.00 1.00 H new ATOM 0 HE1 MET A 69 11.395 -15.941 -2.755 1.00 5.02 H new ATOM 0 HE2 MET A 69 10.608 -16.702 -4.159 1.00 5.02 H new ATOM 0 HE3 MET A 69 12.291 -16.137 -4.280 1.00 5.02 H new ATOM 1096 N VAL A 70 13.851 -15.314 -8.533 1.00 54.21 N ATOM 1097 CA VAL A 70 14.478 -16.618 -8.710 1.00 5.32 C ATOM 1098 C VAL A 70 15.244 -17.033 -7.459 1.00 21.23 C ATOM 1099 O VAL A 70 15.765 -16.190 -6.728 1.00 3.24 O ATOM 1100 CB VAL A 70 15.442 -16.619 -9.912 1.00 13.53 C ATOM 1101 CG1 VAL A 70 14.669 -16.493 -11.216 1.00 12.33 C ATOM 1102 CG2 VAL A 70 16.462 -15.498 -9.777 1.00 21.31 C ATOM 0 H VAL A 70 14.508 -14.540 -8.435 1.00 54.21 H new ATOM 0 HA VAL A 70 13.676 -17.332 -8.896 1.00 5.32 H new ATOM 0 HB VAL A 70 15.978 -17.568 -9.925 1.00 13.53 H new ATOM 0 HG11 VAL A 70 15.366 -16.495 -12.054 1.00 12.33 H new ATOM 0 HG12 VAL A 70 13.981 -17.333 -11.314 1.00 12.33 H new ATOM 0 HG13 VAL A 70 14.105 -15.560 -11.216 1.00 12.33 H new ATOM 0 HG21 VAL A 70 17.135 -15.513 -10.634 1.00 21.31 H new ATOM 0 HG22 VAL A 70 15.946 -14.539 -9.738 1.00 21.31 H new ATOM 0 HG23 VAL A 70 17.037 -15.638 -8.862 1.00 21.31 H new ATOM 1112 N LEU A 71 15.309 -18.338 -7.218 1.00 11.14 N ATOM 1113 CA LEU A 71 16.012 -18.867 -6.054 1.00 1.10 C ATOM 1114 C LEU A 71 17.152 -19.787 -6.479 1.00 32.44 C ATOM 1115 O LEU A 71 17.014 -20.569 -7.420 1.00 31.03 O ATOM 1116 CB LEU A 71 15.040 -19.624 -5.147 1.00 65.32 C ATOM 1117 CG LEU A 71 14.175 -20.685 -5.828 1.00 54.33 C ATOM 1118 CD1 LEU A 71 14.905 -22.018 -5.880 1.00 42.52 C ATOM 1119 CD2 LEU A 71 12.844 -20.832 -5.105 1.00 52.41 C ATOM 0 H LEU A 71 14.884 -19.049 -7.813 1.00 11.14 H new ATOM 0 HA LEU A 71 16.434 -18.027 -5.502 1.00 1.10 H new ATOM 0 HB2 LEU A 71 15.613 -20.105 -4.355 1.00 65.32 H new ATOM 0 HB3 LEU A 71 14.381 -18.899 -4.669 1.00 65.32 H new ATOM 0 HG LEU A 71 13.978 -20.363 -6.850 1.00 54.33 H new ATOM 0 HD11 LEU A 71 14.273 -22.760 -6.368 1.00 42.52 H new ATOM 0 HD12 LEU A 71 15.832 -21.904 -6.443 1.00 42.52 H new ATOM 0 HD13 LEU A 71 15.134 -22.347 -4.866 1.00 42.52 H new ATOM 0 HD21 LEU A 71 12.241 -21.591 -5.603 1.00 52.41 H new ATOM 0 HD22 LEU A 71 13.022 -21.130 -4.072 1.00 52.41 H new ATOM 0 HD23 LEU A 71 12.314 -19.880 -5.121 1.00 52.41 H new