USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 18 THR OG1 : rot -57:sc= 0.393 USER MOD Set 1.2: A 20 ASN : amide:sc= 0 X(o=0.39,f=0.39) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00242 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 3 MET CE :methyl -134:sc= -0.142 (180deg=-0.588) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0027 X(o=-0.0027,f=-0.014) USER MOD Single : A 8 LYS NZ :NH3+ -146:sc= 0.404 (180deg=0.0874) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -170:sc= -0.841 USER MOD Single : A 30 GLN : amide:sc= 0.175 X(o=0.18,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0408) USER MOD Single : A 38 THR OG1 : rot 166:sc= 0.463 USER MOD Single : A 41 TYR OH : rot -142:sc= 0.48 USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= 0.154 (180deg=-0.138) USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= 1.35 (180deg=-0.21) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.531 K(o=-0.53,f=-4.4!) USER MOD Single : A 52 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.1) USER MOD Single : A 54 SER OG : rot -26:sc= 0.225 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0337 X(o=-0.034,f=-0.034) USER MOD Single : A 61 MET CE :methyl 171:sc= 0 (180deg=-0.0745) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 0.465 (180deg=0.394) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.0221 (180deg=-0.268) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.167 13.806 14.857 1.00 42.21 N ATOM 2 CA SER A 1 5.132 14.294 13.891 1.00 10.44 C ATOM 3 C SER A 1 5.787 14.927 12.644 1.00 22.31 C ATOM 4 O SER A 1 5.628 14.410 11.530 1.00 24.11 O ATOM 5 CB SER A 1 4.174 15.304 14.580 1.00 1.33 C ATOM 6 OG SER A 1 4.874 16.423 15.109 1.00 23.40 O ATOM 0 H1 SER A 1 5.698 13.386 15.685 1.00 42.21 H new ATOM 0 H2 SER A 1 6.762 13.089 14.395 1.00 42.21 H new ATOM 0 H3 SER A 1 6.760 14.604 15.163 1.00 42.21 H new ATOM 0 HA SER A 1 4.548 13.434 13.562 1.00 10.44 H new ATOM 0 HB2 SER A 1 3.431 15.648 13.861 1.00 1.33 H new ATOM 0 HB3 SER A 1 3.633 14.802 15.382 1.00 1.33 H new ATOM 0 HG SER A 1 4.238 17.036 15.533 1.00 23.40 H new ATOM 14 N HIS A 2 6.522 16.046 12.838 1.00 71.33 N ATOM 15 CA HIS A 2 7.273 16.723 11.752 1.00 51.12 C ATOM 16 C HIS A 2 8.392 15.808 11.192 1.00 41.02 C ATOM 17 O HIS A 2 8.386 15.473 9.998 1.00 33.21 O ATOM 18 CB HIS A 2 7.879 18.061 12.250 1.00 65.33 C ATOM 19 CG HIS A 2 6.867 19.129 12.581 1.00 23.42 C ATOM 20 ND1 HIS A 2 6.763 19.721 13.825 1.00 44.44 N ATOM 21 CD2 HIS A 2 5.930 19.735 11.807 1.00 12.54 C ATOM 22 CE1 HIS A 2 5.822 20.639 13.800 1.00 41.45 C ATOM 23 NE2 HIS A 2 5.301 20.667 12.591 1.00 64.14 N ATOM 0 H HIS A 2 6.612 16.504 13.745 1.00 71.33 H new ATOM 0 HA HIS A 2 6.568 16.937 10.948 1.00 51.12 H new ATOM 0 HB2 HIS A 2 8.481 17.863 13.137 1.00 65.33 H new ATOM 0 HB3 HIS A 2 8.554 18.445 11.485 1.00 65.33 H new ATOM 0 HD2 HIS A 2 5.720 19.523 10.769 1.00 12.54 H new ATOM 0 HE1 HIS A 2 5.527 21.264 14.630 1.00 41.45 H new ATOM 0 HE2 HIS A 2 4.549 21.284 12.286 1.00 64.14 H new ATOM 32 N MET A 3 9.334 15.406 12.088 1.00 50.41 N ATOM 33 CA MET A 3 10.459 14.484 11.766 1.00 21.55 C ATOM 34 C MET A 3 11.413 15.053 10.678 1.00 3.53 C ATOM 35 O MET A 3 11.274 16.202 10.232 1.00 32.31 O ATOM 36 CB MET A 3 9.914 13.079 11.350 1.00 32.35 C ATOM 37 CG MET A 3 9.014 12.411 12.399 1.00 73.53 C ATOM 38 SD MET A 3 8.287 10.857 11.818 1.00 11.44 S ATOM 39 CE MET A 3 7.292 11.407 10.428 1.00 25.44 C ATOM 0 H MET A 3 9.334 15.714 13.060 1.00 50.41 H new ATOM 0 HA MET A 3 11.053 14.380 12.674 1.00 21.55 H new ATOM 0 HB2 MET A 3 9.354 13.181 10.421 1.00 32.35 H new ATOM 0 HB3 MET A 3 10.759 12.422 11.143 1.00 32.35 H new ATOM 0 HG2 MET A 3 9.596 12.219 13.300 1.00 73.53 H new ATOM 0 HG3 MET A 3 8.215 13.099 12.676 1.00 73.53 H new ATOM 0 HE1 MET A 3 6.306 10.946 10.482 1.00 25.44 H new ATOM 0 HE2 MET A 3 7.188 12.492 10.461 1.00 25.44 H new ATOM 0 HE3 MET A 3 7.777 11.117 9.496 1.00 25.44 H new ATOM 49 N LYS A 4 12.407 14.235 10.283 1.00 53.13 N ATOM 50 CA LYS A 4 13.331 14.554 9.179 1.00 71.01 C ATOM 51 C LYS A 4 13.962 13.245 8.649 1.00 71.32 C ATOM 52 O LYS A 4 14.997 12.784 9.139 1.00 43.41 O ATOM 53 CB LYS A 4 14.406 15.586 9.648 1.00 61.40 C ATOM 54 CG LYS A 4 15.288 16.166 8.521 1.00 0.51 C ATOM 55 CD LYS A 4 16.208 17.311 9.015 1.00 55.25 C ATOM 56 CE LYS A 4 15.417 18.537 9.524 1.00 65.31 C ATOM 57 NZ LYS A 4 16.307 19.659 9.921 1.00 54.51 N ATOM 0 H LYS A 4 12.592 13.333 10.722 1.00 53.13 H new ATOM 0 HA LYS A 4 12.786 15.021 8.359 1.00 71.01 H new ATOM 0 HB2 LYS A 4 13.902 16.409 10.154 1.00 61.40 H new ATOM 0 HB3 LYS A 4 15.051 15.107 10.384 1.00 61.40 H new ATOM 0 HG2 LYS A 4 15.900 15.370 8.097 1.00 0.51 H new ATOM 0 HG3 LYS A 4 14.650 16.538 7.720 1.00 0.51 H new ATOM 0 HD2 LYS A 4 16.846 16.938 9.816 1.00 55.25 H new ATOM 0 HD3 LYS A 4 16.865 17.620 8.202 1.00 55.25 H new ATOM 0 HE2 LYS A 4 14.735 18.876 8.744 1.00 65.31 H new ATOM 0 HE3 LYS A 4 14.805 18.243 10.377 1.00 65.31 H new ATOM 0 HZ1 LYS A 4 15.731 20.458 10.255 1.00 54.51 H new ATOM 0 HZ2 LYS A 4 16.941 19.346 10.684 1.00 54.51 H new ATOM 0 HZ3 LYS A 4 16.873 19.959 9.102 1.00 54.51 H new ATOM 71 N ASN A 5 13.273 12.623 7.676 1.00 62.15 N ATOM 72 CA ASN A 5 13.698 11.342 7.044 1.00 22.21 C ATOM 73 C ASN A 5 13.896 11.554 5.511 1.00 25.52 C ATOM 74 O ASN A 5 13.975 10.613 4.726 1.00 52.35 O ATOM 75 CB ASN A 5 12.620 10.257 7.368 1.00 41.20 C ATOM 76 CG ASN A 5 13.056 8.818 7.059 1.00 51.21 C ATOM 77 OD1 ASN A 5 12.774 8.277 5.996 1.00 70.14 O ATOM 78 ND2 ASN A 5 13.753 8.192 7.992 1.00 30.22 N ATOM 0 H ASN A 5 12.400 12.989 7.297 1.00 62.15 H new ATOM 0 HA ASN A 5 14.655 11.002 7.440 1.00 22.21 H new ATOM 0 HB2 ASN A 5 12.359 10.326 8.424 1.00 41.20 H new ATOM 0 HB3 ASN A 5 11.716 10.480 6.801 1.00 41.20 H new ATOM 0 HD21 ASN A 5 14.070 7.235 7.836 1.00 30.22 H new ATOM 0 HD22 ASN A 5 13.974 8.666 8.868 1.00 30.22 H new ATOM 85 N VAL A 6 14.047 12.835 5.120 1.00 20.24 N ATOM 86 CA VAL A 6 14.156 13.272 3.702 1.00 53.15 C ATOM 87 C VAL A 6 15.637 13.379 3.234 1.00 60.24 C ATOM 88 O VAL A 6 15.933 14.040 2.229 1.00 61.13 O ATOM 89 CB VAL A 6 13.423 14.661 3.520 1.00 55.12 C ATOM 90 CG1 VAL A 6 11.911 14.535 3.824 1.00 51.02 C ATOM 91 CG2 VAL A 6 14.068 15.768 4.399 1.00 15.43 C ATOM 0 H VAL A 6 14.098 13.609 5.783 1.00 20.24 H new ATOM 0 HA VAL A 6 13.677 12.516 3.080 1.00 53.15 H new ATOM 0 HB VAL A 6 13.540 14.955 2.477 1.00 55.12 H new ATOM 0 HG11 VAL A 6 11.431 15.505 3.691 1.00 51.02 H new ATOM 0 HG12 VAL A 6 11.462 13.812 3.143 1.00 51.02 H new ATOM 0 HG13 VAL A 6 11.773 14.200 4.852 1.00 51.02 H new ATOM 0 HG21 VAL A 6 13.538 16.708 4.247 1.00 15.43 H new ATOM 0 HG22 VAL A 6 14.006 15.481 5.449 1.00 15.43 H new ATOM 0 HG23 VAL A 6 15.114 15.892 4.118 1.00 15.43 H new ATOM 101 N ILE A 7 16.547 12.683 3.945 1.00 71.15 N ATOM 102 CA ILE A 7 18.009 12.797 3.734 1.00 31.41 C ATOM 103 C ILE A 7 18.436 12.070 2.426 1.00 12.52 C ATOM 104 O ILE A 7 18.657 10.850 2.410 1.00 5.45 O ATOM 105 CB ILE A 7 18.840 12.281 4.995 1.00 63.33 C ATOM 106 CG1 ILE A 7 18.656 13.228 6.239 1.00 14.34 C ATOM 107 CG2 ILE A 7 20.353 12.128 4.674 1.00 62.13 C ATOM 108 CD1 ILE A 7 17.268 13.274 6.849 1.00 64.54 C ATOM 0 H ILE A 7 16.292 12.026 4.682 1.00 71.15 H new ATOM 0 HA ILE A 7 18.243 13.856 3.622 1.00 31.41 H new ATOM 0 HB ILE A 7 18.440 11.297 5.241 1.00 63.33 H new ATOM 0 HG12 ILE A 7 19.359 12.918 7.012 1.00 14.34 H new ATOM 0 HG13 ILE A 7 18.933 14.240 5.943 1.00 14.34 H new ATOM 0 HG21 ILE A 7 20.879 11.775 5.561 1.00 62.13 H new ATOM 0 HG22 ILE A 7 20.482 11.409 3.865 1.00 62.13 H new ATOM 0 HG23 ILE A 7 20.760 13.093 4.371 1.00 62.13 H new ATOM 0 HD11 ILE A 7 17.266 13.959 7.697 1.00 64.54 H new ATOM 0 HD12 ILE A 7 16.553 13.619 6.102 1.00 64.54 H new ATOM 0 HD13 ILE A 7 16.986 12.277 7.187 1.00 64.54 H new ATOM 120 N LYS A 8 18.470 12.851 1.322 1.00 5.41 N ATOM 121 CA LYS A 8 18.898 12.399 -0.021 1.00 44.32 C ATOM 122 C LYS A 8 19.042 13.605 -0.985 1.00 53.52 C ATOM 123 O LYS A 8 18.522 14.693 -0.713 1.00 62.31 O ATOM 124 CB LYS A 8 17.925 11.305 -0.599 1.00 44.13 C ATOM 125 CG LYS A 8 16.409 11.677 -0.671 1.00 3.13 C ATOM 126 CD LYS A 8 16.028 12.489 -1.933 1.00 3.34 C ATOM 127 CE LYS A 8 14.519 12.770 -2.042 1.00 55.23 C ATOM 128 NZ LYS A 8 14.183 13.516 -3.284 1.00 53.31 N ATOM 0 H LYS A 8 18.195 13.833 1.341 1.00 5.41 H new ATOM 0 HA LYS A 8 19.878 11.932 0.077 1.00 44.32 H new ATOM 0 HB2 LYS A 8 18.260 11.049 -1.604 1.00 44.13 H new ATOM 0 HB3 LYS A 8 18.026 10.406 0.009 1.00 44.13 H new ATOM 0 HG2 LYS A 8 15.818 10.762 -0.646 1.00 3.13 H new ATOM 0 HG3 LYS A 8 16.143 12.253 0.215 1.00 3.13 H new ATOM 0 HD2 LYS A 8 16.567 13.436 -1.924 1.00 3.34 H new ATOM 0 HD3 LYS A 8 16.354 11.945 -2.819 1.00 3.34 H new ATOM 0 HE2 LYS A 8 13.972 11.827 -2.025 1.00 55.23 H new ATOM 0 HE3 LYS A 8 14.193 13.343 -1.174 1.00 55.23 H new ATOM 0 HZ1 LYS A 8 13.389 14.161 -3.097 1.00 53.31 H new ATOM 0 HZ2 LYS A 8 15.010 14.066 -3.593 1.00 53.31 H new ATOM 0 HZ3 LYS A 8 13.915 12.844 -4.031 1.00 53.31 H new ATOM 142 N LYS A 9 19.744 13.402 -2.121 1.00 14.04 N ATOM 143 CA LYS A 9 19.907 14.442 -3.171 1.00 73.52 C ATOM 144 C LYS A 9 19.778 13.776 -4.571 1.00 44.14 C ATOM 145 O LYS A 9 20.743 13.726 -5.347 1.00 74.42 O ATOM 146 CB LYS A 9 21.276 15.196 -2.990 1.00 60.43 C ATOM 147 CG LYS A 9 21.283 16.700 -3.394 1.00 61.02 C ATOM 148 CD LYS A 9 20.984 16.960 -4.892 1.00 31.41 C ATOM 149 CE LYS A 9 20.988 18.458 -5.251 1.00 55.34 C ATOM 150 NZ LYS A 9 20.608 18.699 -6.669 1.00 35.12 N ATOM 0 H LYS A 9 20.212 12.522 -2.339 1.00 14.04 H new ATOM 0 HA LYS A 9 19.122 15.193 -3.080 1.00 73.52 H new ATOM 0 HB2 LYS A 9 21.575 15.119 -1.945 1.00 60.43 H new ATOM 0 HB3 LYS A 9 22.034 14.678 -3.578 1.00 60.43 H new ATOM 0 HG2 LYS A 9 20.545 17.229 -2.791 1.00 61.02 H new ATOM 0 HG3 LYS A 9 22.257 17.125 -3.151 1.00 61.02 H new ATOM 0 HD2 LYS A 9 21.726 16.443 -5.501 1.00 31.41 H new ATOM 0 HD3 LYS A 9 20.013 16.534 -5.143 1.00 31.41 H new ATOM 0 HE2 LYS A 9 20.296 18.988 -4.596 1.00 55.34 H new ATOM 0 HE3 LYS A 9 21.980 18.871 -5.068 1.00 55.34 H new ATOM 0 HZ1 LYS A 9 20.625 19.720 -6.864 1.00 35.12 H new ATOM 0 HZ2 LYS A 9 21.282 18.216 -7.296 1.00 35.12 H new ATOM 0 HZ3 LYS A 9 19.651 18.330 -6.840 1.00 35.12 H new ATOM 164 N LYS A 10 18.570 13.256 -4.852 1.00 33.23 N ATOM 165 CA LYS A 10 18.220 12.599 -6.141 1.00 31.24 C ATOM 166 C LYS A 10 16.719 12.211 -6.143 1.00 13.12 C ATOM 167 O LYS A 10 16.154 11.915 -5.088 1.00 62.31 O ATOM 168 CB LYS A 10 19.107 11.338 -6.390 1.00 73.31 C ATOM 169 CG LYS A 10 18.916 10.672 -7.771 1.00 52.22 C ATOM 170 CD LYS A 10 19.912 9.519 -8.023 1.00 73.44 C ATOM 171 CE LYS A 10 19.730 8.871 -9.406 1.00 42.32 C ATOM 172 NZ LYS A 10 20.762 7.839 -9.676 1.00 12.34 N ATOM 0 H LYS A 10 17.795 13.276 -4.189 1.00 33.23 H new ATOM 0 HA LYS A 10 18.409 13.305 -6.949 1.00 31.24 H new ATOM 0 HB2 LYS A 10 20.154 11.621 -6.281 1.00 73.31 H new ATOM 0 HB3 LYS A 10 18.893 10.602 -5.615 1.00 73.31 H new ATOM 0 HG2 LYS A 10 17.898 10.290 -7.847 1.00 52.22 H new ATOM 0 HG3 LYS A 10 19.033 11.424 -8.551 1.00 52.22 H new ATOM 0 HD2 LYS A 10 20.930 9.898 -7.935 1.00 73.44 H new ATOM 0 HD3 LYS A 10 19.786 8.760 -7.251 1.00 73.44 H new ATOM 0 HE2 LYS A 10 18.740 8.419 -9.467 1.00 42.32 H new ATOM 0 HE3 LYS A 10 19.777 9.641 -10.176 1.00 42.32 H new ATOM 0 HZ1 LYS A 10 20.603 7.427 -10.618 1.00 12.34 H new ATOM 0 HZ2 LYS A 10 21.706 8.275 -9.643 1.00 12.34 H new ATOM 0 HZ3 LYS A 10 20.701 7.091 -8.956 1.00 12.34 H new ATOM 186 N GLY A 11 16.086 12.216 -7.331 1.00 52.22 N ATOM 187 CA GLY A 11 14.653 11.906 -7.458 1.00 3.41 C ATOM 188 C GLY A 11 13.763 13.088 -7.072 1.00 51.45 C ATOM 189 O GLY A 11 13.376 13.236 -5.908 1.00 31.42 O ATOM 0 H GLY A 11 16.546 12.432 -8.216 1.00 52.22 H new ATOM 0 HA2 GLY A 11 14.437 11.613 -8.486 1.00 3.41 H new ATOM 0 HA3 GLY A 11 14.412 11.052 -6.826 1.00 3.41 H new ATOM 193 N GLU A 12 13.405 13.909 -8.071 1.00 52.12 N ATOM 194 CA GLU A 12 12.695 15.200 -7.875 1.00 51.43 C ATOM 195 C GLU A 12 11.169 15.025 -7.597 1.00 33.35 C ATOM 196 O GLU A 12 10.415 16.007 -7.621 1.00 65.42 O ATOM 197 CB GLU A 12 12.940 16.089 -9.131 1.00 53.31 C ATOM 198 CG GLU A 12 14.438 16.336 -9.443 1.00 41.32 C ATOM 199 CD GLU A 12 14.678 17.079 -10.773 1.00 20.34 C ATOM 200 OE1 GLU A 12 14.516 18.316 -10.812 1.00 11.44 O ATOM 201 OE2 GLU A 12 15.022 16.429 -11.786 1.00 54.40 O ATOM 0 H GLU A 12 13.598 13.701 -9.051 1.00 52.12 H new ATOM 0 HA GLU A 12 13.097 15.681 -6.983 1.00 51.43 H new ATOM 0 HB2 GLU A 12 12.472 15.617 -9.995 1.00 53.31 H new ATOM 0 HB3 GLU A 12 12.446 17.050 -8.986 1.00 53.31 H new ATOM 0 HG2 GLU A 12 14.880 16.912 -8.630 1.00 41.32 H new ATOM 0 HG3 GLU A 12 14.957 15.378 -9.473 1.00 41.32 H new ATOM 208 N ILE A 13 10.731 13.777 -7.320 1.00 10.35 N ATOM 209 CA ILE A 13 9.329 13.467 -6.951 1.00 32.02 C ATOM 210 C ILE A 13 9.020 14.049 -5.546 1.00 13.21 C ATOM 211 O ILE A 13 9.679 13.714 -4.563 1.00 30.43 O ATOM 212 CB ILE A 13 9.004 11.912 -6.966 1.00 14.33 C ATOM 213 CG1 ILE A 13 9.246 11.259 -8.379 1.00 34.13 C ATOM 214 CG2 ILE A 13 7.545 11.639 -6.489 1.00 1.12 C ATOM 215 CD1 ILE A 13 10.702 11.041 -8.785 1.00 42.12 C ATOM 0 H ILE A 13 11.337 12.957 -7.345 1.00 10.35 H new ATOM 0 HA ILE A 13 8.695 13.929 -7.708 1.00 32.02 H new ATOM 0 HB ILE A 13 9.698 11.444 -6.267 1.00 14.33 H new ATOM 0 HG12 ILE A 13 8.737 10.296 -8.402 1.00 34.13 H new ATOM 0 HG13 ILE A 13 8.772 11.888 -9.132 1.00 34.13 H new ATOM 0 HG21 ILE A 13 7.350 10.567 -6.509 1.00 1.12 H new ATOM 0 HG22 ILE A 13 7.419 12.011 -5.472 1.00 1.12 H new ATOM 0 HG23 ILE A 13 6.844 12.148 -7.151 1.00 1.12 H new ATOM 0 HD11 ILE A 13 10.740 10.586 -9.775 1.00 42.12 H new ATOM 0 HD12 ILE A 13 11.221 11.999 -8.806 1.00 42.12 H new ATOM 0 HD13 ILE A 13 11.186 10.382 -8.064 1.00 42.12 H new ATOM 227 N ILE A 14 7.993 14.903 -5.483 1.00 52.21 N ATOM 228 CA ILE A 14 7.663 15.718 -4.279 1.00 4.40 C ATOM 229 C ILE A 14 6.959 14.911 -3.149 1.00 55.22 C ATOM 230 O ILE A 14 6.769 15.428 -2.043 1.00 1.32 O ATOM 231 CB ILE A 14 6.778 16.958 -4.691 1.00 64.45 C ATOM 232 CG1 ILE A 14 5.441 16.488 -5.362 1.00 34.13 C ATOM 233 CG2 ILE A 14 7.571 17.907 -5.628 1.00 1.31 C ATOM 234 CD1 ILE A 14 4.496 17.604 -5.785 1.00 5.50 C ATOM 0 H ILE A 14 7.355 15.059 -6.264 1.00 52.21 H new ATOM 0 HA ILE A 14 8.615 16.054 -3.867 1.00 4.40 H new ATOM 0 HB ILE A 14 6.521 17.513 -3.789 1.00 64.45 H new ATOM 0 HG12 ILE A 14 5.685 15.890 -6.240 1.00 34.13 H new ATOM 0 HG13 ILE A 14 4.915 15.834 -4.666 1.00 34.13 H new ATOM 0 HG21 ILE A 14 6.944 18.756 -5.901 1.00 1.31 H new ATOM 0 HG22 ILE A 14 8.463 18.265 -5.113 1.00 1.31 H new ATOM 0 HG23 ILE A 14 7.864 17.368 -6.529 1.00 1.31 H new ATOM 0 HD11 ILE A 14 3.603 17.173 -6.237 1.00 5.50 H new ATOM 0 HD12 ILE A 14 4.213 18.192 -4.912 1.00 5.50 H new ATOM 0 HD13 ILE A 14 4.995 18.248 -6.509 1.00 5.50 H new ATOM 246 N ILE A 15 6.569 13.658 -3.435 1.00 75.23 N ATOM 247 CA ILE A 15 5.894 12.768 -2.453 1.00 13.24 C ATOM 248 C ILE A 15 6.915 11.784 -1.821 1.00 61.45 C ATOM 249 O ILE A 15 7.537 10.984 -2.532 1.00 24.43 O ATOM 250 CB ILE A 15 4.708 11.973 -3.133 1.00 2.42 C ATOM 251 CG1 ILE A 15 3.660 12.978 -3.725 1.00 21.41 C ATOM 252 CG2 ILE A 15 4.039 10.981 -2.136 1.00 73.31 C ATOM 253 CD1 ILE A 15 2.477 12.342 -4.441 1.00 72.31 C ATOM 0 H ILE A 15 6.708 13.227 -4.349 1.00 75.23 H new ATOM 0 HA ILE A 15 5.476 13.391 -1.662 1.00 13.24 H new ATOM 0 HB ILE A 15 5.118 11.377 -3.948 1.00 2.42 H new ATOM 0 HG12 ILE A 15 3.281 13.600 -2.914 1.00 21.41 H new ATOM 0 HG13 ILE A 15 4.172 13.641 -4.423 1.00 21.41 H new ATOM 0 HG21 ILE A 15 3.228 10.452 -2.638 1.00 73.31 H new ATOM 0 HG22 ILE A 15 4.780 10.262 -1.786 1.00 73.31 H new ATOM 0 HG23 ILE A 15 3.640 11.534 -1.285 1.00 73.31 H new ATOM 0 HD11 ILE A 15 1.813 13.123 -4.812 1.00 72.31 H new ATOM 0 HD12 ILE A 15 2.837 11.744 -5.278 1.00 72.31 H new ATOM 0 HD13 ILE A 15 1.932 11.703 -3.746 1.00 72.31 H new ATOM 265 N LEU A 16 7.094 11.878 -0.485 1.00 14.12 N ATOM 266 CA LEU A 16 7.998 10.989 0.281 1.00 11.33 C ATOM 267 C LEU A 16 7.297 9.651 0.632 1.00 51.25 C ATOM 268 O LEU A 16 6.294 9.631 1.358 1.00 45.34 O ATOM 269 CB LEU A 16 8.489 11.692 1.584 1.00 33.11 C ATOM 270 CG LEU A 16 9.469 10.858 2.482 1.00 2.12 C ATOM 271 CD1 LEU A 16 10.818 10.599 1.771 1.00 1.31 C ATOM 272 CD2 LEU A 16 9.683 11.525 3.858 1.00 63.41 C ATOM 0 H LEU A 16 6.617 12.571 0.093 1.00 14.12 H new ATOM 0 HA LEU A 16 8.861 10.772 -0.348 1.00 11.33 H new ATOM 0 HB2 LEU A 16 8.983 12.623 1.308 1.00 33.11 H new ATOM 0 HB3 LEU A 16 7.617 11.959 2.181 1.00 33.11 H new ATOM 0 HG LEU A 16 8.999 9.890 2.653 1.00 2.12 H new ATOM 0 HD11 LEU A 16 11.469 10.019 2.425 1.00 1.31 H new ATOM 0 HD12 LEU A 16 10.643 10.045 0.849 1.00 1.31 H new ATOM 0 HD13 LEU A 16 11.295 11.551 1.537 1.00 1.31 H new ATOM 0 HD21 LEU A 16 10.367 10.920 4.453 1.00 63.41 H new ATOM 0 HD22 LEU A 16 10.106 12.520 3.718 1.00 63.41 H new ATOM 0 HD23 LEU A 16 8.727 11.607 4.375 1.00 63.41 H new ATOM 284 N TRP A 17 7.826 8.546 0.086 1.00 74.41 N ATOM 285 CA TRP A 17 7.404 7.173 0.432 1.00 52.55 C ATOM 286 C TRP A 17 8.462 6.512 1.347 1.00 13.10 C ATOM 287 O TRP A 17 9.587 6.242 0.910 1.00 32.13 O ATOM 288 CB TRP A 17 7.191 6.332 -0.859 1.00 10.04 C ATOM 289 CG TRP A 17 5.883 6.612 -1.562 1.00 64.13 C ATOM 290 CD1 TRP A 17 5.669 7.343 -2.699 1.00 11.12 C ATOM 291 CD2 TRP A 17 4.600 6.148 -1.137 1.00 11.30 C ATOM 292 NE1 TRP A 17 4.330 7.331 -3.015 1.00 60.22 N ATOM 293 CE2 TRP A 17 3.656 6.602 -2.065 1.00 53.52 C ATOM 294 CE3 TRP A 17 4.169 5.379 -0.059 1.00 13.13 C ATOM 295 CZ2 TRP A 17 2.300 6.318 -1.939 1.00 62.30 C ATOM 296 CZ3 TRP A 17 2.830 5.090 0.064 1.00 12.02 C ATOM 297 CH2 TRP A 17 1.904 5.557 -0.874 1.00 51.34 C ATOM 0 H TRP A 17 8.566 8.577 -0.615 1.00 74.41 H new ATOM 0 HA TRP A 17 6.457 7.217 0.970 1.00 52.55 H new ATOM 0 HB2 TRP A 17 8.012 6.528 -1.548 1.00 10.04 H new ATOM 0 HB3 TRP A 17 7.236 5.273 -0.603 1.00 10.04 H new ATOM 0 HD1 TRP A 17 6.436 7.853 -3.263 1.00 11.12 H new ATOM 0 HE1 TRP A 17 3.907 7.788 -3.822 1.00 60.22 H new ATOM 0 HE3 TRP A 17 4.877 5.014 0.671 1.00 13.13 H new ATOM 0 HZ2 TRP A 17 1.584 6.686 -2.658 1.00 62.30 H new ATOM 0 HZ3 TRP A 17 2.489 4.494 0.897 1.00 12.02 H new ATOM 0 HH2 TRP A 17 0.859 5.313 -0.755 1.00 51.34 H new ATOM 308 N THR A 18 8.095 6.261 2.617 1.00 13.33 N ATOM 309 CA THR A 18 9.017 5.667 3.619 1.00 43.41 C ATOM 310 C THR A 18 8.808 4.146 3.721 1.00 31.44 C ATOM 311 O THR A 18 7.758 3.627 3.326 1.00 14.31 O ATOM 312 CB THR A 18 8.819 6.288 5.048 1.00 11.43 C ATOM 313 OG1 THR A 18 7.531 5.928 5.579 1.00 13.10 O ATOM 314 CG2 THR A 18 8.958 7.821 5.042 1.00 51.13 C ATOM 0 H THR A 18 7.163 6.459 2.981 1.00 13.33 H new ATOM 0 HA THR A 18 10.027 5.888 3.274 1.00 43.41 H new ATOM 0 HB THR A 18 9.608 5.881 5.681 1.00 11.43 H new ATOM 0 HG1 THR A 18 6.829 6.222 4.962 1.00 13.10 H new ATOM 0 HG21 THR A 18 8.813 8.203 6.052 1.00 51.13 H new ATOM 0 HG22 THR A 18 9.952 8.095 4.690 1.00 51.13 H new ATOM 0 HG23 THR A 18 8.207 8.252 4.380 1.00 51.13 H new ATOM 322 N ARG A 19 9.813 3.448 4.286 1.00 74.45 N ATOM 323 CA ARG A 19 9.720 2.002 4.626 1.00 14.20 C ATOM 324 C ARG A 19 8.537 1.708 5.595 1.00 22.41 C ATOM 325 O ARG A 19 8.036 0.583 5.656 1.00 1.25 O ATOM 326 CB ARG A 19 11.057 1.521 5.254 1.00 52.42 C ATOM 327 CG ARG A 19 11.460 2.281 6.543 1.00 12.41 C ATOM 328 CD ARG A 19 12.813 1.822 7.121 1.00 64.54 C ATOM 329 NE ARG A 19 13.208 2.623 8.293 1.00 74.14 N ATOM 330 CZ ARG A 19 14.408 2.656 8.828 1.00 52.32 C ATOM 331 NH1 ARG A 19 15.380 1.935 8.361 1.00 72.43 N ATOM 332 NH2 ARG A 19 14.623 3.422 9.837 1.00 41.14 N ATOM 0 H ARG A 19 10.714 3.864 4.522 1.00 74.45 H new ATOM 0 HA ARG A 19 9.531 1.455 3.703 1.00 14.20 H new ATOM 0 HB2 ARG A 19 10.977 0.458 5.482 1.00 52.42 H new ATOM 0 HB3 ARG A 19 11.852 1.630 4.517 1.00 52.42 H new ATOM 0 HG2 ARG A 19 11.508 3.348 6.328 1.00 12.41 H new ATOM 0 HG3 ARG A 19 10.685 2.142 7.296 1.00 12.41 H new ATOM 0 HD2 ARG A 19 12.750 0.771 7.404 1.00 64.54 H new ATOM 0 HD3 ARG A 19 13.582 1.899 6.352 1.00 64.54 H new ATOM 0 HE ARG A 19 12.488 3.202 8.726 1.00 74.14 H new ATOM 0 HH11 ARG A 19 15.222 1.324 7.560 1.00 72.43 H new ATOM 0 HH12 ARG A 19 16.302 1.979 8.795 1.00 72.43 H new ATOM 0 HH21 ARG A 19 13.867 3.995 10.213 1.00 41.14 H new ATOM 0 HH22 ARG A 19 15.550 3.457 10.262 1.00 41.14 H new ATOM 346 N ASN A 20 8.110 2.747 6.344 1.00 5.30 N ATOM 347 CA ASN A 20 6.944 2.687 7.246 1.00 2.45 C ATOM 348 C ASN A 20 5.628 2.586 6.435 1.00 42.41 C ATOM 349 O ASN A 20 4.772 1.755 6.743 1.00 71.53 O ATOM 350 CB ASN A 20 6.921 3.939 8.151 1.00 63.01 C ATOM 351 CG ASN A 20 8.190 4.086 8.985 1.00 11.20 C ATOM 352 OD1 ASN A 20 9.159 4.715 8.566 1.00 41.05 O ATOM 353 ND2 ASN A 20 8.202 3.500 10.169 1.00 75.44 N ATOM 0 H ASN A 20 8.570 3.657 6.338 1.00 5.30 H new ATOM 0 HA ASN A 20 7.028 1.796 7.868 1.00 2.45 H new ATOM 0 HB2 ASN A 20 6.793 4.827 7.532 1.00 63.01 H new ATOM 0 HB3 ASN A 20 6.059 3.886 8.815 1.00 63.01 H new ATOM 0 HD21 ASN A 20 9.030 3.563 10.761 1.00 75.44 H new ATOM 0 HD22 ASN A 20 7.383 2.984 10.491 1.00 75.44 H new ATOM 360 N ASP A 21 5.495 3.439 5.384 1.00 0.40 N ATOM 361 CA ASP A 21 4.351 3.383 4.434 1.00 53.13 C ATOM 362 C ASP A 21 4.263 2.000 3.743 1.00 34.34 C ATOM 363 O ASP A 21 3.187 1.394 3.677 1.00 40.21 O ATOM 364 CB ASP A 21 4.465 4.486 3.350 1.00 13.35 C ATOM 365 CG ASP A 21 4.285 5.907 3.896 1.00 14.22 C ATOM 366 OD1 ASP A 21 3.155 6.255 4.302 1.00 51.33 O ATOM 367 OD2 ASP A 21 5.261 6.688 3.926 1.00 43.45 O ATOM 0 H ASP A 21 6.168 4.176 5.173 1.00 0.40 H new ATOM 0 HA ASP A 21 3.446 3.549 5.018 1.00 53.13 H new ATOM 0 HB2 ASP A 21 5.441 4.412 2.870 1.00 13.35 H new ATOM 0 HB3 ASP A 21 3.716 4.305 2.579 1.00 13.35 H new ATOM 372 N ASP A 22 5.426 1.523 3.254 1.00 65.14 N ATOM 373 CA ASP A 22 5.578 0.193 2.617 1.00 75.25 C ATOM 374 C ASP A 22 5.107 -0.955 3.539 1.00 14.15 C ATOM 375 O ASP A 22 4.344 -1.829 3.111 1.00 32.42 O ATOM 376 CB ASP A 22 7.058 -0.031 2.206 1.00 14.30 C ATOM 377 CG ASP A 22 7.518 0.919 1.091 1.00 61.53 C ATOM 378 OD1 ASP A 22 6.921 0.888 0.003 1.00 42.21 O ATOM 379 OD2 ASP A 22 8.487 1.687 1.284 1.00 64.44 O ATOM 0 H ASP A 22 6.296 2.054 3.289 1.00 65.14 H new ATOM 0 HA ASP A 22 4.943 0.181 1.731 1.00 75.25 H new ATOM 0 HB2 ASP A 22 7.697 0.105 3.079 1.00 14.30 H new ATOM 0 HB3 ASP A 22 7.186 -1.061 1.874 1.00 14.30 H new ATOM 384 N ARG A 23 5.548 -0.919 4.809 1.00 13.42 N ATOM 385 CA ARG A 23 5.183 -1.941 5.817 1.00 40.21 C ATOM 386 C ARG A 23 3.655 -1.983 6.075 1.00 64.21 C ATOM 387 O ARG A 23 3.087 -3.064 6.176 1.00 51.14 O ATOM 388 CB ARG A 23 5.973 -1.716 7.141 1.00 65.50 C ATOM 389 CG ARG A 23 5.578 -2.663 8.307 1.00 42.44 C ATOM 390 CD ARG A 23 6.629 -2.724 9.434 1.00 64.43 C ATOM 391 NE ARG A 23 7.848 -3.439 9.009 1.00 43.21 N ATOM 392 CZ ARG A 23 8.835 -3.815 9.793 1.00 72.51 C ATOM 393 NH1 ARG A 23 8.873 -3.487 11.052 1.00 62.12 N ATOM 394 NH2 ARG A 23 9.799 -4.513 9.301 1.00 42.51 N ATOM 0 H ARG A 23 6.163 -0.188 5.168 1.00 13.42 H new ATOM 0 HA ARG A 23 5.463 -2.914 5.413 1.00 40.21 H new ATOM 0 HB2 ARG A 23 7.037 -1.838 6.938 1.00 65.50 H new ATOM 0 HB3 ARG A 23 5.826 -0.685 7.464 1.00 65.50 H new ATOM 0 HG2 ARG A 23 4.627 -2.334 8.726 1.00 42.44 H new ATOM 0 HG3 ARG A 23 5.422 -3.667 7.912 1.00 42.44 H new ATOM 0 HD2 ARG A 23 6.890 -1.712 9.742 1.00 64.43 H new ATOM 0 HD3 ARG A 23 6.200 -3.222 10.304 1.00 64.43 H new ATOM 0 HE ARG A 23 7.933 -3.662 8.017 1.00 43.21 H new ATOM 0 HH11 ARG A 23 8.124 -2.924 11.455 1.00 62.12 H new ATOM 0 HH12 ARG A 23 9.651 -3.793 11.636 1.00 62.12 H new ATOM 0 HH21 ARG A 23 9.792 -4.768 8.313 1.00 42.51 H new ATOM 0 HH22 ARG A 23 10.570 -4.811 9.899 1.00 42.51 H new ATOM 408 N VAL A 24 2.999 -0.805 6.131 1.00 24.51 N ATOM 409 CA VAL A 24 1.530 -0.712 6.343 1.00 60.33 C ATOM 410 C VAL A 24 0.740 -1.231 5.112 1.00 64.35 C ATOM 411 O VAL A 24 -0.264 -1.928 5.279 1.00 72.45 O ATOM 412 CB VAL A 24 1.078 0.750 6.696 1.00 41.24 C ATOM 413 CG1 VAL A 24 -0.459 0.848 6.891 1.00 31.32 C ATOM 414 CG2 VAL A 24 1.818 1.273 7.951 1.00 11.52 C ATOM 0 H VAL A 24 3.460 0.099 6.033 1.00 24.51 H new ATOM 0 HA VAL A 24 1.301 -1.352 7.195 1.00 60.33 H new ATOM 0 HB VAL A 24 1.345 1.381 5.848 1.00 41.24 H new ATOM 0 HG11 VAL A 24 -0.730 1.875 7.134 1.00 31.32 H new ATOM 0 HG12 VAL A 24 -0.962 0.547 5.972 1.00 31.32 H new ATOM 0 HG13 VAL A 24 -0.765 0.190 7.704 1.00 31.32 H new ATOM 0 HG21 VAL A 24 1.486 2.287 8.173 1.00 11.52 H new ATOM 0 HG22 VAL A 24 1.598 0.625 8.800 1.00 11.52 H new ATOM 0 HG23 VAL A 24 2.892 1.275 7.766 1.00 11.52 H new ATOM 424 N ILE A 25 1.211 -0.916 3.886 1.00 25.14 N ATOM 425 CA ILE A 25 0.589 -1.431 2.636 1.00 31.32 C ATOM 426 C ILE A 25 0.598 -2.979 2.609 1.00 54.23 C ATOM 427 O ILE A 25 -0.415 -3.614 2.294 1.00 25.25 O ATOM 428 CB ILE A 25 1.271 -0.834 1.340 1.00 33.00 C ATOM 429 CG1 ILE A 25 0.981 0.699 1.237 1.00 1.43 C ATOM 430 CG2 ILE A 25 0.815 -1.567 0.046 1.00 4.14 C ATOM 431 CD1 ILE A 25 1.674 1.418 0.087 1.00 24.05 C ATOM 0 H ILE A 25 2.017 -0.310 3.730 1.00 25.14 H new ATOM 0 HA ILE A 25 -0.448 -1.096 2.632 1.00 31.32 H new ATOM 0 HB ILE A 25 2.346 -0.990 1.432 1.00 33.00 H new ATOM 0 HG12 ILE A 25 -0.095 0.842 1.137 1.00 1.43 H new ATOM 0 HG13 ILE A 25 1.280 1.172 2.172 1.00 1.43 H new ATOM 0 HG21 ILE A 25 1.310 -1.122 -0.818 1.00 4.14 H new ATOM 0 HG22 ILE A 25 1.080 -2.622 0.113 1.00 4.14 H new ATOM 0 HG23 ILE A 25 -0.265 -1.471 -0.065 1.00 4.14 H new ATOM 0 HD11 ILE A 25 1.407 2.475 0.105 1.00 24.05 H new ATOM 0 HD12 ILE A 25 2.754 1.315 0.191 1.00 24.05 H new ATOM 0 HD13 ILE A 25 1.357 0.980 -0.860 1.00 24.05 H new ATOM 443 N LEU A 26 1.734 -3.564 3.004 1.00 51.44 N ATOM 444 CA LEU A 26 1.894 -5.028 3.121 1.00 21.03 C ATOM 445 C LEU A 26 1.089 -5.600 4.322 1.00 10.12 C ATOM 446 O LEU A 26 0.532 -6.692 4.235 1.00 73.53 O ATOM 447 CB LEU A 26 3.402 -5.373 3.246 1.00 61.05 C ATOM 448 CG LEU A 26 4.293 -4.909 2.052 1.00 73.32 C ATOM 449 CD1 LEU A 26 5.783 -5.218 2.306 1.00 15.33 C ATOM 450 CD2 LEU A 26 3.802 -5.517 0.720 1.00 51.23 C ATOM 0 H LEU A 26 2.573 -3.040 3.253 1.00 51.44 H new ATOM 0 HA LEU A 26 1.492 -5.494 2.221 1.00 21.03 H new ATOM 0 HB2 LEU A 26 3.786 -4.923 4.161 1.00 61.05 H new ATOM 0 HB3 LEU A 26 3.503 -6.453 3.355 1.00 61.05 H new ATOM 0 HG LEU A 26 4.200 -3.826 1.970 1.00 73.32 H new ATOM 0 HD11 LEU A 26 6.375 -4.882 1.455 1.00 15.33 H new ATOM 0 HD12 LEU A 26 6.114 -4.699 3.206 1.00 15.33 H new ATOM 0 HD13 LEU A 26 5.915 -6.292 2.438 1.00 15.33 H new ATOM 0 HD21 LEU A 26 4.442 -5.176 -0.094 1.00 51.23 H new ATOM 0 HD22 LEU A 26 3.841 -6.605 0.780 1.00 51.23 H new ATOM 0 HD23 LEU A 26 2.776 -5.200 0.532 1.00 51.23 H new ATOM 462 N LEU A 27 1.007 -4.823 5.416 1.00 71.34 N ATOM 463 CA LEU A 27 0.347 -5.241 6.682 1.00 22.31 C ATOM 464 C LEU A 27 -1.185 -5.400 6.505 1.00 0.13 C ATOM 465 O LEU A 27 -1.757 -6.450 6.828 1.00 21.24 O ATOM 466 CB LEU A 27 0.672 -4.198 7.789 1.00 52.34 C ATOM 467 CG LEU A 27 0.245 -4.541 9.251 1.00 1.24 C ATOM 468 CD1 LEU A 27 0.876 -5.864 9.727 1.00 24.53 C ATOM 469 CD2 LEU A 27 0.600 -3.380 10.212 1.00 2.44 C ATOM 0 H LEU A 27 1.396 -3.881 5.455 1.00 71.34 H new ATOM 0 HA LEU A 27 0.733 -6.218 6.974 1.00 22.31 H new ATOM 0 HB2 LEU A 27 1.749 -4.027 7.784 1.00 52.34 H new ATOM 0 HB3 LEU A 27 0.199 -3.256 7.513 1.00 52.34 H new ATOM 0 HG LEU A 27 -0.837 -4.673 9.259 1.00 1.24 H new ATOM 0 HD11 LEU A 27 0.558 -6.072 10.748 1.00 24.53 H new ATOM 0 HD12 LEU A 27 0.555 -6.676 9.074 1.00 24.53 H new ATOM 0 HD13 LEU A 27 1.962 -5.781 9.695 1.00 24.53 H new ATOM 0 HD21 LEU A 27 0.294 -3.640 11.225 1.00 2.44 H new ATOM 0 HD22 LEU A 27 1.676 -3.207 10.191 1.00 2.44 H new ATOM 0 HD23 LEU A 27 0.080 -2.475 9.897 1.00 2.44 H new ATOM 481 N GLU A 28 -1.836 -4.357 5.961 1.00 63.14 N ATOM 482 CA GLU A 28 -3.299 -4.349 5.726 1.00 62.13 C ATOM 483 C GLU A 28 -3.690 -5.238 4.517 1.00 12.33 C ATOM 484 O GLU A 28 -4.848 -5.652 4.392 1.00 53.34 O ATOM 485 CB GLU A 28 -3.817 -2.905 5.523 1.00 2.23 C ATOM 486 CG GLU A 28 -3.311 -1.855 6.549 1.00 65.13 C ATOM 487 CD GLU A 28 -3.525 -2.225 8.027 1.00 42.34 C ATOM 488 OE1 GLU A 28 -4.623 -1.989 8.562 1.00 65.15 O ATOM 489 OE2 GLU A 28 -2.583 -2.734 8.672 1.00 4.13 O ATOM 0 H GLU A 28 -1.370 -3.497 5.671 1.00 63.14 H new ATOM 0 HA GLU A 28 -3.772 -4.768 6.614 1.00 62.13 H new ATOM 0 HB2 GLU A 28 -3.534 -2.575 4.524 1.00 2.23 H new ATOM 0 HB3 GLU A 28 -4.906 -2.922 5.556 1.00 2.23 H new ATOM 0 HG2 GLU A 28 -2.246 -1.692 6.383 1.00 65.13 H new ATOM 0 HG3 GLU A 28 -3.813 -0.908 6.352 1.00 65.13 H new ATOM 496 N CYS A 29 -2.713 -5.517 3.631 1.00 63.23 N ATOM 497 CA CYS A 29 -2.879 -6.502 2.533 1.00 15.12 C ATOM 498 C CYS A 29 -2.894 -7.951 3.079 1.00 12.44 C ATOM 499 O CYS A 29 -3.596 -8.810 2.561 1.00 72.23 O ATOM 500 CB CYS A 29 -1.757 -6.339 1.488 1.00 15.12 C ATOM 501 SG CYS A 29 -1.863 -7.469 0.082 1.00 51.34 S ATOM 0 H CYS A 29 -1.795 -5.074 3.652 1.00 63.23 H new ATOM 0 HA CYS A 29 -3.839 -6.309 2.054 1.00 15.12 H new ATOM 0 HB2 CYS A 29 -1.773 -5.315 1.115 1.00 15.12 H new ATOM 0 HB3 CYS A 29 -0.796 -6.484 1.981 1.00 15.12 H new ATOM 0 HG CYS A 29 -0.771 -7.393 -0.619 1.00 51.34 H new ATOM 507 N GLN A 30 -2.106 -8.213 4.141 1.00 12.55 N ATOM 508 CA GLN A 30 -2.126 -9.511 4.869 1.00 3.02 C ATOM 509 C GLN A 30 -3.324 -9.589 5.859 1.00 32.30 C ATOM 510 O GLN A 30 -3.668 -10.666 6.356 1.00 34.40 O ATOM 511 CB GLN A 30 -0.777 -9.719 5.615 1.00 33.54 C ATOM 512 CG GLN A 30 0.453 -9.822 4.683 1.00 64.22 C ATOM 513 CD GLN A 30 1.786 -9.864 5.437 1.00 50.15 C ATOM 514 OE1 GLN A 30 2.293 -10.928 5.776 1.00 72.53 O ATOM 515 NE2 GLN A 30 2.360 -8.707 5.716 1.00 13.52 N ATOM 0 H GLN A 30 -1.440 -7.540 4.521 1.00 12.55 H new ATOM 0 HA GLN A 30 -2.255 -10.311 4.140 1.00 3.02 H new ATOM 0 HB2 GLN A 30 -0.626 -8.891 6.307 1.00 33.54 H new ATOM 0 HB3 GLN A 30 -0.842 -10.627 6.214 1.00 33.54 H new ATOM 0 HG2 GLN A 30 0.362 -10.719 4.071 1.00 64.22 H new ATOM 0 HG3 GLN A 30 0.456 -8.971 4.002 1.00 64.22 H new ATOM 0 HE21 GLN A 30 1.919 -7.835 5.423 1.00 13.52 H new ATOM 0 HE22 GLN A 30 3.244 -8.686 6.224 1.00 13.52 H new ATOM 524 N LYS A 31 -3.932 -8.422 6.151 1.00 4.04 N ATOM 525 CA LYS A 31 -5.138 -8.315 7.002 1.00 51.25 C ATOM 526 C LYS A 31 -6.420 -8.648 6.192 1.00 15.41 C ATOM 527 O LYS A 31 -7.268 -9.428 6.640 1.00 32.24 O ATOM 528 CB LYS A 31 -5.229 -6.878 7.583 1.00 23.11 C ATOM 529 CG LYS A 31 -6.328 -6.653 8.644 1.00 43.42 C ATOM 530 CD LYS A 31 -6.051 -7.418 9.960 1.00 11.11 C ATOM 531 CE LYS A 31 -7.087 -7.101 11.051 1.00 64.32 C ATOM 532 NZ LYS A 31 -6.761 -7.758 12.341 1.00 25.22 N ATOM 0 H LYS A 31 -3.600 -7.522 5.803 1.00 4.04 H new ATOM 0 HA LYS A 31 -5.060 -9.035 7.817 1.00 51.25 H new ATOM 0 HB2 LYS A 31 -4.266 -6.623 8.025 1.00 23.11 H new ATOM 0 HB3 LYS A 31 -5.396 -6.183 6.760 1.00 23.11 H new ATOM 0 HG2 LYS A 31 -6.408 -5.587 8.858 1.00 43.42 H new ATOM 0 HG3 LYS A 31 -7.289 -6.970 8.239 1.00 43.42 H new ATOM 0 HD2 LYS A 31 -6.053 -8.490 9.761 1.00 11.11 H new ATOM 0 HD3 LYS A 31 -5.055 -7.163 10.323 1.00 11.11 H new ATOM 0 HE2 LYS A 31 -7.139 -6.022 11.198 1.00 64.32 H new ATOM 0 HE3 LYS A 31 -8.073 -7.426 10.719 1.00 64.32 H new ATOM 0 HZ1 LYS A 31 -7.486 -7.516 13.047 1.00 25.22 H new ATOM 0 HZ2 LYS A 31 -6.736 -8.789 12.209 1.00 25.22 H new ATOM 0 HZ3 LYS A 31 -5.832 -7.429 12.673 1.00 25.22 H new ATOM 546 N ARG A 32 -6.546 -8.032 5.000 1.00 63.31 N ATOM 547 CA ARG A 32 -7.717 -8.203 4.103 1.00 53.33 C ATOM 548 C ARG A 32 -7.366 -9.078 2.874 1.00 5.52 C ATOM 549 O ARG A 32 -7.919 -10.171 2.690 1.00 24.12 O ATOM 550 CB ARG A 32 -8.223 -6.816 3.619 1.00 25.32 C ATOM 551 CG ARG A 32 -8.726 -5.878 4.736 1.00 75.43 C ATOM 552 CD ARG A 32 -9.265 -4.551 4.177 1.00 35.22 C ATOM 553 NE ARG A 32 -9.907 -3.720 5.211 1.00 10.13 N ATOM 554 CZ ARG A 32 -11.069 -3.109 5.086 1.00 71.00 C ATOM 555 NH1 ARG A 32 -11.792 -3.249 4.019 1.00 42.21 N ATOM 556 NH2 ARG A 32 -11.506 -2.376 6.049 1.00 64.24 N ATOM 0 H ARG A 32 -5.839 -7.399 4.627 1.00 63.31 H new ATOM 0 HA ARG A 32 -8.499 -8.706 4.671 1.00 53.33 H new ATOM 0 HB2 ARG A 32 -7.415 -6.318 3.084 1.00 25.32 H new ATOM 0 HB3 ARG A 32 -9.031 -6.970 2.904 1.00 25.32 H new ATOM 0 HG2 ARG A 32 -9.512 -6.378 5.302 1.00 75.43 H new ATOM 0 HG3 ARG A 32 -7.912 -5.674 5.432 1.00 75.43 H new ATOM 0 HD2 ARG A 32 -8.446 -3.992 3.724 1.00 35.22 H new ATOM 0 HD3 ARG A 32 -9.985 -4.760 3.385 1.00 35.22 H new ATOM 0 HE ARG A 32 -9.412 -3.608 6.096 1.00 10.13 H new ATOM 0 HH11 ARG A 32 -11.465 -3.841 3.255 1.00 42.21 H new ATOM 0 HH12 ARG A 32 -12.688 -2.767 3.943 1.00 42.21 H new ATOM 0 HH21 ARG A 32 -10.955 -2.271 6.901 1.00 64.24 H new ATOM 0 HH22 ARG A 32 -12.404 -1.900 5.961 1.00 64.24 H new ATOM 570 N GLY A 33 -6.438 -8.571 2.044 1.00 0.23 N ATOM 571 CA GLY A 33 -6.099 -9.177 0.745 1.00 32.11 C ATOM 572 C GLY A 33 -5.954 -8.114 -0.358 1.00 71.12 C ATOM 573 O GLY A 33 -6.551 -7.041 -0.239 1.00 70.13 O ATOM 0 H GLY A 33 -5.902 -7.729 2.255 1.00 0.23 H new ATOM 0 HA2 GLY A 33 -5.168 -9.736 0.836 1.00 32.11 H new ATOM 0 HA3 GLY A 33 -6.873 -9.891 0.463 1.00 32.11 H new ATOM 577 N PRO A 34 -5.156 -8.372 -1.446 1.00 32.40 N ATOM 578 CA PRO A 34 -5.020 -7.432 -2.601 1.00 1.34 C ATOM 579 C PRO A 34 -6.380 -7.105 -3.289 1.00 12.02 C ATOM 580 O PRO A 34 -6.980 -7.968 -3.945 1.00 44.31 O ATOM 581 CB PRO A 34 -4.064 -8.186 -3.569 1.00 21.44 C ATOM 582 CG PRO A 34 -3.314 -9.141 -2.691 1.00 42.10 C ATOM 583 CD PRO A 34 -4.305 -9.576 -1.629 1.00 34.35 C ATOM 0 HA PRO A 34 -4.644 -6.458 -2.287 1.00 1.34 H new ATOM 0 HB2 PRO A 34 -4.620 -8.713 -4.344 1.00 21.44 H new ATOM 0 HB3 PRO A 34 -3.387 -7.497 -4.074 1.00 21.44 H new ATOM 0 HG2 PRO A 34 -2.949 -9.995 -3.261 1.00 42.10 H new ATOM 0 HG3 PRO A 34 -2.443 -8.662 -2.243 1.00 42.10 H new ATOM 0 HD2 PRO A 34 -4.890 -10.437 -1.952 1.00 34.35 H new ATOM 0 HD3 PRO A 34 -3.805 -9.860 -0.703 1.00 34.35 H new ATOM 591 N SER A 35 -6.857 -5.860 -3.105 1.00 31.45 N ATOM 592 CA SER A 35 -8.157 -5.396 -3.651 1.00 22.43 C ATOM 593 C SER A 35 -8.186 -3.869 -3.805 1.00 40.34 C ATOM 594 O SER A 35 -7.471 -3.155 -3.099 1.00 61.42 O ATOM 595 CB SER A 35 -9.322 -5.833 -2.727 1.00 13.34 C ATOM 596 OG SER A 35 -10.585 -5.382 -3.215 1.00 71.43 O ATOM 0 H SER A 35 -6.358 -5.145 -2.576 1.00 31.45 H new ATOM 0 HA SER A 35 -8.277 -5.852 -4.634 1.00 22.43 H new ATOM 0 HB2 SER A 35 -9.332 -6.920 -2.644 1.00 13.34 H new ATOM 0 HB3 SER A 35 -9.158 -5.438 -1.724 1.00 13.34 H new ATOM 0 HG SER A 35 -11.295 -5.678 -2.608 1.00 71.43 H new ATOM 602 N SER A 36 -9.040 -3.383 -4.722 1.00 53.52 N ATOM 603 CA SER A 36 -9.324 -1.936 -4.893 1.00 23.33 C ATOM 604 C SER A 36 -9.975 -1.338 -3.621 1.00 45.01 C ATOM 605 O SER A 36 -9.728 -0.175 -3.273 1.00 73.31 O ATOM 606 CB SER A 36 -10.235 -1.718 -6.122 1.00 11.22 C ATOM 607 OG SER A 36 -11.432 -2.477 -6.021 1.00 3.34 O ATOM 0 H SER A 36 -9.557 -3.978 -5.369 1.00 53.52 H new ATOM 0 HA SER A 36 -8.378 -1.419 -5.056 1.00 23.33 H new ATOM 0 HB2 SER A 36 -10.480 -0.660 -6.212 1.00 11.22 H new ATOM 0 HB3 SER A 36 -9.699 -2.000 -7.029 1.00 11.22 H new ATOM 0 HG SER A 36 -11.988 -2.317 -6.812 1.00 3.34 H new ATOM 613 N LYS A 37 -10.788 -2.162 -2.927 1.00 71.34 N ATOM 614 CA LYS A 37 -11.383 -1.811 -1.616 1.00 23.24 C ATOM 615 C LYS A 37 -10.286 -1.623 -0.537 1.00 42.32 C ATOM 616 O LYS A 37 -10.401 -0.774 0.351 1.00 25.34 O ATOM 617 CB LYS A 37 -12.371 -2.911 -1.150 1.00 52.23 C ATOM 618 CG LYS A 37 -13.551 -3.189 -2.109 1.00 53.45 C ATOM 619 CD LYS A 37 -14.528 -4.247 -1.541 1.00 73.35 C ATOM 620 CE LYS A 37 -15.695 -4.565 -2.493 1.00 4.22 C ATOM 621 NZ LYS A 37 -16.499 -3.357 -2.834 1.00 3.45 N ATOM 0 H LYS A 37 -11.052 -3.090 -3.258 1.00 71.34 H new ATOM 0 HA LYS A 37 -11.920 -0.871 -1.744 1.00 23.24 H new ATOM 0 HB2 LYS A 37 -11.815 -3.838 -1.006 1.00 52.23 H new ATOM 0 HB3 LYS A 37 -12.774 -2.626 -0.178 1.00 52.23 H new ATOM 0 HG2 LYS A 37 -14.091 -2.261 -2.296 1.00 53.45 H new ATOM 0 HG3 LYS A 37 -13.164 -3.532 -3.069 1.00 53.45 H new ATOM 0 HD2 LYS A 37 -13.978 -5.164 -1.331 1.00 73.35 H new ATOM 0 HD3 LYS A 37 -14.928 -3.891 -0.592 1.00 73.35 H new ATOM 0 HE2 LYS A 37 -15.302 -5.007 -3.409 1.00 4.22 H new ATOM 0 HE3 LYS A 37 -16.343 -5.310 -2.032 1.00 4.22 H new ATOM 0 HZ1 LYS A 37 -17.329 -3.639 -3.393 1.00 3.45 H new ATOM 0 HZ2 LYS A 37 -16.813 -2.891 -1.959 1.00 3.45 H new ATOM 0 HZ3 LYS A 37 -15.916 -2.697 -3.388 1.00 3.45 H new ATOM 635 N THR A 38 -9.205 -2.415 -0.656 1.00 55.42 N ATOM 636 CA THR A 38 -8.094 -2.422 0.318 1.00 41.44 C ATOM 637 C THR A 38 -7.103 -1.281 0.004 1.00 12.20 C ATOM 638 O THR A 38 -6.455 -0.753 0.899 1.00 50.42 O ATOM 639 CB THR A 38 -7.366 -3.810 0.332 1.00 32.35 C ATOM 640 OG1 THR A 38 -8.341 -4.849 0.559 1.00 24.04 O ATOM 641 CG2 THR A 38 -6.274 -3.909 1.421 1.00 53.24 C ATOM 0 H THR A 38 -9.075 -3.068 -1.429 1.00 55.42 H new ATOM 0 HA THR A 38 -8.507 -2.257 1.313 1.00 41.44 H new ATOM 0 HB THR A 38 -6.875 -3.925 -0.634 1.00 32.35 H new ATOM 0 HG1 THR A 38 -7.946 -5.720 0.345 1.00 24.04 H new ATOM 0 HG21 THR A 38 -5.807 -4.893 1.380 1.00 53.24 H new ATOM 0 HG22 THR A 38 -5.519 -3.142 1.250 1.00 53.24 H new ATOM 0 HG23 THR A 38 -6.725 -3.762 2.403 1.00 53.24 H new ATOM 649 N PHE A 39 -7.025 -0.888 -1.284 1.00 55.23 N ATOM 650 CA PHE A 39 -6.249 0.294 -1.727 1.00 42.40 C ATOM 651 C PHE A 39 -6.911 1.601 -1.238 1.00 32.21 C ATOM 652 O PHE A 39 -6.228 2.568 -0.899 1.00 32.33 O ATOM 653 CB PHE A 39 -6.116 0.316 -3.274 1.00 63.34 C ATOM 654 CG PHE A 39 -5.378 -0.878 -3.889 1.00 44.14 C ATOM 655 CD1 PHE A 39 -4.386 -1.559 -3.185 1.00 31.03 C ATOM 656 CD2 PHE A 39 -5.681 -1.313 -5.183 1.00 23.14 C ATOM 657 CE1 PHE A 39 -3.733 -2.634 -3.746 1.00 23.24 C ATOM 658 CE2 PHE A 39 -5.021 -2.391 -5.744 1.00 62.10 C ATOM 659 CZ PHE A 39 -4.049 -3.050 -5.024 1.00 33.32 C ATOM 0 H PHE A 39 -7.495 -1.377 -2.045 1.00 55.23 H new ATOM 0 HA PHE A 39 -5.253 0.222 -1.290 1.00 42.40 H new ATOM 0 HB2 PHE A 39 -7.115 0.365 -3.707 1.00 63.34 H new ATOM 0 HB3 PHE A 39 -5.598 1.230 -3.564 1.00 63.34 H new ATOM 0 HD1 PHE A 39 -4.126 -1.239 -2.187 1.00 31.03 H new ATOM 0 HD2 PHE A 39 -6.442 -0.800 -5.753 1.00 23.14 H new ATOM 0 HE1 PHE A 39 -2.971 -3.154 -3.184 1.00 23.24 H new ATOM 0 HE2 PHE A 39 -5.267 -2.715 -6.744 1.00 62.10 H new ATOM 0 HZ PHE A 39 -3.533 -3.893 -5.460 1.00 33.32 H new ATOM 669 N ALA A 40 -8.256 1.606 -1.225 1.00 11.30 N ATOM 670 CA ALA A 40 -9.062 2.713 -0.665 1.00 73.20 C ATOM 671 C ALA A 40 -8.880 2.808 0.874 1.00 30.53 C ATOM 672 O ALA A 40 -8.795 3.900 1.448 1.00 64.32 O ATOM 673 CB ALA A 40 -10.537 2.492 -1.018 1.00 73.14 C ATOM 0 H ALA A 40 -8.818 0.843 -1.602 1.00 11.30 H new ATOM 0 HA ALA A 40 -8.722 3.654 -1.098 1.00 73.20 H new ATOM 0 HB1 ALA A 40 -11.135 3.305 -0.607 1.00 73.14 H new ATOM 0 HB2 ALA A 40 -10.652 2.468 -2.102 1.00 73.14 H new ATOM 0 HB3 ALA A 40 -10.874 1.545 -0.596 1.00 73.14 H new ATOM 679 N TYR A 41 -8.826 1.631 1.515 1.00 34.35 N ATOM 680 CA TYR A 41 -8.579 1.479 2.969 1.00 52.13 C ATOM 681 C TYR A 41 -7.149 1.950 3.367 1.00 73.12 C ATOM 682 O TYR A 41 -6.955 2.569 4.414 1.00 53.33 O ATOM 683 CB TYR A 41 -8.816 -0.006 3.336 1.00 5.04 C ATOM 684 CG TYR A 41 -8.468 -0.414 4.773 1.00 44.12 C ATOM 685 CD1 TYR A 41 -9.114 0.167 5.870 1.00 62.12 C ATOM 686 CD2 TYR A 41 -7.506 -1.395 5.032 1.00 10.43 C ATOM 687 CE1 TYR A 41 -8.823 -0.228 7.162 1.00 22.45 C ATOM 688 CE2 TYR A 41 -7.213 -1.784 6.320 1.00 4.45 C ATOM 689 CZ TYR A 41 -7.866 -1.196 7.381 1.00 53.21 C ATOM 690 OH TYR A 41 -7.585 -1.605 8.669 1.00 33.24 O ATOM 0 H TYR A 41 -8.954 0.740 1.036 1.00 34.35 H new ATOM 0 HA TYR A 41 -9.265 2.115 3.529 1.00 52.13 H new ATOM 0 HB2 TYR A 41 -9.866 -0.239 3.159 1.00 5.04 H new ATOM 0 HB3 TYR A 41 -8.233 -0.624 2.654 1.00 5.04 H new ATOM 0 HD1 TYR A 41 -9.853 0.937 5.704 1.00 62.12 H new ATOM 0 HD2 TYR A 41 -6.983 -1.856 4.207 1.00 10.43 H new ATOM 0 HE1 TYR A 41 -9.343 0.220 7.996 1.00 22.45 H new ATOM 0 HE2 TYR A 41 -6.472 -2.549 6.498 1.00 4.45 H new ATOM 0 HH TYR A 41 -6.623 -1.766 8.758 1.00 33.24 H new ATOM 700 N LEU A 42 -6.167 1.635 2.512 1.00 45.21 N ATOM 701 CA LEU A 42 -4.756 2.070 2.666 1.00 60.52 C ATOM 702 C LEU A 42 -4.568 3.567 2.345 1.00 71.03 C ATOM 703 O LEU A 42 -3.665 4.218 2.887 1.00 72.14 O ATOM 704 CB LEU A 42 -3.854 1.197 1.766 1.00 15.23 C ATOM 705 CG LEU A 42 -3.549 -0.221 2.324 1.00 62.43 C ATOM 706 CD1 LEU A 42 -2.921 -1.142 1.254 1.00 12.42 C ATOM 707 CD2 LEU A 42 -2.650 -0.094 3.570 1.00 64.14 C ATOM 0 H LEU A 42 -6.323 1.064 1.681 1.00 45.21 H new ATOM 0 HA LEU A 42 -4.471 1.939 3.710 1.00 60.52 H new ATOM 0 HB2 LEU A 42 -4.330 1.093 0.791 1.00 15.23 H new ATOM 0 HB3 LEU A 42 -2.911 1.719 1.606 1.00 15.23 H new ATOM 0 HG LEU A 42 -4.488 -0.693 2.612 1.00 62.43 H new ATOM 0 HD11 LEU A 42 -2.724 -2.122 1.688 1.00 12.42 H new ATOM 0 HD12 LEU A 42 -3.609 -1.248 0.415 1.00 12.42 H new ATOM 0 HD13 LEU A 42 -1.985 -0.707 0.903 1.00 12.42 H new ATOM 0 HD21 LEU A 42 -2.433 -1.087 3.965 1.00 64.14 H new ATOM 0 HD22 LEU A 42 -1.717 0.399 3.297 1.00 64.14 H new ATOM 0 HD23 LEU A 42 -3.163 0.495 4.330 1.00 64.14 H new ATOM 719 N ALA A 43 -5.419 4.097 1.449 1.00 51.33 N ATOM 720 CA ALA A 43 -5.490 5.548 1.170 1.00 15.31 C ATOM 721 C ALA A 43 -5.941 6.315 2.428 1.00 55.25 C ATOM 722 O ALA A 43 -5.432 7.397 2.728 1.00 1.52 O ATOM 723 CB ALA A 43 -6.443 5.818 -0.002 1.00 12.54 C ATOM 0 H ALA A 43 -6.073 3.539 0.900 1.00 51.33 H new ATOM 0 HA ALA A 43 -4.496 5.901 0.893 1.00 15.31 H new ATOM 0 HB1 ALA A 43 -6.486 6.890 -0.197 1.00 12.54 H new ATOM 0 HB2 ALA A 43 -6.081 5.302 -0.891 1.00 12.54 H new ATOM 0 HB3 ALA A 43 -7.440 5.455 0.248 1.00 12.54 H new ATOM 729 N ALA A 44 -6.895 5.721 3.163 1.00 13.43 N ATOM 730 CA ALA A 44 -7.382 6.254 4.454 1.00 23.21 C ATOM 731 C ALA A 44 -6.328 6.098 5.582 1.00 43.33 C ATOM 732 O ALA A 44 -6.103 7.026 6.366 1.00 10.24 O ATOM 733 CB ALA A 44 -8.689 5.547 4.847 1.00 11.41 C ATOM 0 H ALA A 44 -7.354 4.855 2.881 1.00 13.43 H new ATOM 0 HA ALA A 44 -7.565 7.321 4.327 1.00 23.21 H new ATOM 0 HB1 ALA A 44 -9.045 5.942 5.799 1.00 11.41 H new ATOM 0 HB2 ALA A 44 -9.442 5.720 4.078 1.00 11.41 H new ATOM 0 HB3 ALA A 44 -8.509 4.476 4.944 1.00 11.41 H new ATOM 739 N LYS A 45 -5.684 4.917 5.632 1.00 12.02 N ATOM 740 CA LYS A 45 -4.754 4.524 6.724 1.00 31.13 C ATOM 741 C LYS A 45 -3.430 5.337 6.685 1.00 24.33 C ATOM 742 O LYS A 45 -2.903 5.736 7.728 1.00 14.55 O ATOM 743 CB LYS A 45 -4.471 2.987 6.636 1.00 21.52 C ATOM 744 CG LYS A 45 -3.799 2.359 7.884 1.00 71.14 C ATOM 745 CD LYS A 45 -4.661 2.505 9.164 1.00 41.33 C ATOM 746 CE LYS A 45 -4.061 1.779 10.382 1.00 22.23 C ATOM 747 NZ LYS A 45 -3.971 0.309 10.180 1.00 31.15 N ATOM 0 H LYS A 45 -5.790 4.200 4.915 1.00 12.02 H new ATOM 0 HA LYS A 45 -5.230 4.751 7.678 1.00 31.13 H new ATOM 0 HB2 LYS A 45 -5.414 2.472 6.455 1.00 21.52 H new ATOM 0 HB3 LYS A 45 -3.835 2.801 5.770 1.00 21.52 H new ATOM 0 HG2 LYS A 45 -3.610 1.302 7.697 1.00 71.14 H new ATOM 0 HG3 LYS A 45 -2.831 2.832 8.047 1.00 71.14 H new ATOM 0 HD2 LYS A 45 -4.775 3.563 9.399 1.00 41.33 H new ATOM 0 HD3 LYS A 45 -5.659 2.112 8.970 1.00 41.33 H new ATOM 0 HE2 LYS A 45 -3.066 2.176 10.584 1.00 22.23 H new ATOM 0 HE3 LYS A 45 -4.672 1.985 11.261 1.00 22.23 H new ATOM 0 HZ1 LYS A 45 -4.403 -0.180 10.990 1.00 31.15 H new ATOM 0 HZ2 LYS A 45 -4.474 0.047 9.309 1.00 31.15 H new ATOM 0 HZ3 LYS A 45 -2.972 0.030 10.100 1.00 31.15 H new ATOM 761 N LEU A 46 -2.905 5.578 5.471 1.00 1.45 N ATOM 762 CA LEU A 46 -1.643 6.339 5.255 1.00 40.35 C ATOM 763 C LEU A 46 -1.888 7.807 4.837 1.00 75.43 C ATOM 764 O LEU A 46 -0.917 8.561 4.656 1.00 51.15 O ATOM 765 CB LEU A 46 -0.788 5.625 4.173 1.00 10.35 C ATOM 766 CG LEU A 46 -0.215 4.235 4.571 1.00 72.23 C ATOM 767 CD1 LEU A 46 0.545 3.592 3.397 1.00 72.21 C ATOM 768 CD2 LEU A 46 0.684 4.356 5.825 1.00 61.10 C ATOM 0 H LEU A 46 -3.337 5.254 4.606 1.00 1.45 H new ATOM 0 HA LEU A 46 -1.115 6.363 6.208 1.00 40.35 H new ATOM 0 HB2 LEU A 46 -1.398 5.503 3.278 1.00 10.35 H new ATOM 0 HB3 LEU A 46 0.044 6.277 3.906 1.00 10.35 H new ATOM 0 HG LEU A 46 -1.050 3.580 4.817 1.00 72.23 H new ATOM 0 HD11 LEU A 46 0.935 2.621 3.704 1.00 72.21 H new ATOM 0 HD12 LEU A 46 -0.132 3.461 2.553 1.00 72.21 H new ATOM 0 HD13 LEU A 46 1.372 4.238 3.101 1.00 72.21 H new ATOM 0 HD21 LEU A 46 1.076 3.373 6.088 1.00 61.10 H new ATOM 0 HD22 LEU A 46 1.512 5.032 5.615 1.00 61.10 H new ATOM 0 HD23 LEU A 46 0.098 4.748 6.656 1.00 61.10 H new ATOM 780 N ASP A 47 -3.178 8.186 4.652 1.00 72.44 N ATOM 781 CA ASP A 47 -3.597 9.542 4.191 1.00 62.41 C ATOM 782 C ASP A 47 -3.018 9.895 2.787 1.00 71.33 C ATOM 783 O ASP A 47 -2.888 11.070 2.422 1.00 4.31 O ATOM 784 CB ASP A 47 -3.246 10.616 5.256 1.00 42.12 C ATOM 785 CG ASP A 47 -3.942 10.344 6.600 1.00 23.24 C ATOM 786 OD1 ASP A 47 -5.125 10.723 6.758 1.00 42.23 O ATOM 787 OD2 ASP A 47 -3.320 9.738 7.504 1.00 4.10 O ATOM 0 H ASP A 47 -3.964 7.558 4.819 1.00 72.44 H new ATOM 0 HA ASP A 47 -4.681 9.530 4.075 1.00 62.41 H new ATOM 0 HB2 ASP A 47 -2.166 10.639 5.405 1.00 42.12 H new ATOM 0 HB3 ASP A 47 -3.539 11.600 4.889 1.00 42.12 H new ATOM 792 N LYS A 48 -2.714 8.845 1.998 1.00 52.31 N ATOM 793 CA LYS A 48 -2.207 8.965 0.609 1.00 32.24 C ATOM 794 C LYS A 48 -3.380 8.877 -0.401 1.00 22.53 C ATOM 795 O LYS A 48 -4.515 8.581 -0.018 1.00 14.22 O ATOM 796 CB LYS A 48 -1.177 7.830 0.325 1.00 71.15 C ATOM 797 CG LYS A 48 0.042 7.785 1.278 1.00 5.32 C ATOM 798 CD LYS A 48 0.961 9.025 1.166 1.00 22.12 C ATOM 799 CE LYS A 48 2.242 8.891 2.015 1.00 3.20 C ATOM 800 NZ LYS A 48 1.946 8.685 3.463 1.00 60.31 N ATOM 0 H LYS A 48 -2.813 7.878 2.307 1.00 52.31 H new ATOM 0 HA LYS A 48 -1.718 9.932 0.494 1.00 32.24 H new ATOM 0 HB2 LYS A 48 -1.694 6.872 0.379 1.00 71.15 H new ATOM 0 HB3 LYS A 48 -0.814 7.940 -0.697 1.00 71.15 H new ATOM 0 HG2 LYS A 48 -0.313 7.698 2.305 1.00 5.32 H new ATOM 0 HG3 LYS A 48 0.626 6.890 1.065 1.00 5.32 H new ATOM 0 HD2 LYS A 48 1.235 9.176 0.122 1.00 22.12 H new ATOM 0 HD3 LYS A 48 0.410 9.911 1.483 1.00 22.12 H new ATOM 0 HE2 LYS A 48 2.834 8.054 1.645 1.00 3.20 H new ATOM 0 HE3 LYS A 48 2.849 9.788 1.895 1.00 3.20 H new ATOM 0 HZ1 LYS A 48 2.435 9.411 4.024 1.00 60.31 H new ATOM 0 HZ2 LYS A 48 0.921 8.758 3.622 1.00 60.31 H new ATOM 0 HZ3 LYS A 48 2.275 7.742 3.754 1.00 60.31 H new ATOM 814 N ASN A 49 -3.106 9.136 -1.694 1.00 31.41 N ATOM 815 CA ASN A 49 -4.118 8.964 -2.768 1.00 43.44 C ATOM 816 C ASN A 49 -4.307 7.455 -3.088 1.00 33.24 C ATOM 817 O ASN A 49 -3.329 6.705 -3.029 1.00 13.01 O ATOM 818 CB ASN A 49 -3.690 9.727 -4.049 1.00 52.50 C ATOM 819 CG ASN A 49 -3.516 11.231 -3.823 1.00 12.05 C ATOM 820 OD1 ASN A 49 -4.460 12.002 -3.951 1.00 62.40 O ATOM 821 ND2 ASN A 49 -2.308 11.662 -3.500 1.00 64.31 N ATOM 0 H ASN A 49 -2.198 9.464 -2.025 1.00 31.41 H new ATOM 0 HA ASN A 49 -5.065 9.376 -2.418 1.00 43.44 H new ATOM 0 HB2 ASN A 49 -2.752 9.310 -4.417 1.00 52.50 H new ATOM 0 HB3 ASN A 49 -4.437 9.567 -4.827 1.00 52.50 H new ATOM 0 HD21 ASN A 49 -2.145 12.658 -3.351 1.00 64.31 H new ATOM 0 HD22 ASN A 49 -1.540 10.999 -3.400 1.00 64.31 H new ATOM 828 N PRO A 50 -5.555 6.979 -3.438 1.00 22.22 N ATOM 829 CA PRO A 50 -5.796 5.547 -3.797 1.00 11.55 C ATOM 830 C PRO A 50 -4.970 5.097 -5.031 1.00 20.53 C ATOM 831 O PRO A 50 -4.597 3.927 -5.159 1.00 42.13 O ATOM 832 CB PRO A 50 -7.325 5.492 -4.086 1.00 71.05 C ATOM 833 CG PRO A 50 -7.892 6.717 -3.422 1.00 21.12 C ATOM 834 CD PRO A 50 -6.812 7.775 -3.515 1.00 73.32 C ATOM 0 HA PRO A 50 -5.486 4.869 -3.002 1.00 11.55 H new ATOM 0 HB2 PRO A 50 -7.524 5.496 -5.158 1.00 71.05 H new ATOM 0 HB3 PRO A 50 -7.770 4.583 -3.682 1.00 71.05 H new ATOM 0 HG2 PRO A 50 -8.804 7.045 -3.920 1.00 21.12 H new ATOM 0 HG3 PRO A 50 -8.152 6.514 -2.383 1.00 21.12 H new ATOM 0 HD2 PRO A 50 -6.877 8.337 -4.446 1.00 73.32 H new ATOM 0 HD3 PRO A 50 -6.883 8.497 -2.701 1.00 73.32 H new ATOM 842 N ASN A 51 -4.684 6.074 -5.915 1.00 61.32 N ATOM 843 CA ASN A 51 -3.863 5.883 -7.133 1.00 41.11 C ATOM 844 C ASN A 51 -2.366 5.702 -6.761 1.00 13.11 C ATOM 845 O ASN A 51 -1.654 4.891 -7.358 1.00 5.02 O ATOM 846 CB ASN A 51 -4.031 7.099 -8.089 1.00 1.24 C ATOM 847 CG ASN A 51 -5.495 7.446 -8.411 1.00 1.43 C ATOM 848 OD1 ASN A 51 -6.378 7.344 -7.568 1.00 71.35 O ATOM 849 ND2 ASN A 51 -5.774 7.843 -9.637 1.00 1.20 N ATOM 0 H ASN A 51 -5.020 7.031 -5.804 1.00 61.32 H new ATOM 0 HA ASN A 51 -4.205 4.981 -7.641 1.00 41.11 H new ATOM 0 HB2 ASN A 51 -3.553 7.969 -7.640 1.00 1.24 H new ATOM 0 HB3 ASN A 51 -3.505 6.891 -9.020 1.00 1.24 H new ATOM 0 HD21 ASN A 51 -6.735 8.070 -9.893 1.00 1.20 H new ATOM 0 HD22 ASN A 51 -5.029 7.924 -10.329 1.00 1.20 H new ATOM 856 N GLN A 52 -1.913 6.489 -5.760 1.00 22.15 N ATOM 857 CA GLN A 52 -0.559 6.366 -5.168 1.00 32.31 C ATOM 858 C GLN A 52 -0.356 4.998 -4.468 1.00 53.03 C ATOM 859 O GLN A 52 0.726 4.409 -4.540 1.00 23.14 O ATOM 860 CB GLN A 52 -0.301 7.534 -4.163 1.00 64.32 C ATOM 861 CG GLN A 52 0.070 8.889 -4.800 1.00 63.03 C ATOM 862 CD GLN A 52 1.394 8.843 -5.576 1.00 73.15 C ATOM 863 OE1 GLN A 52 2.469 9.054 -5.017 1.00 33.33 O ATOM 864 NE2 GLN A 52 1.327 8.576 -6.865 1.00 71.45 N ATOM 0 H GLN A 52 -2.475 7.228 -5.338 1.00 22.15 H new ATOM 0 HA GLN A 52 0.163 6.427 -5.982 1.00 32.31 H new ATOM 0 HB2 GLN A 52 -1.195 7.671 -3.555 1.00 64.32 H new ATOM 0 HB3 GLN A 52 0.502 7.238 -3.487 1.00 64.32 H new ATOM 0 HG2 GLN A 52 -0.729 9.199 -5.473 1.00 63.03 H new ATOM 0 HG3 GLN A 52 0.139 9.645 -4.018 1.00 63.03 H new ATOM 0 HE21 GLN A 52 0.422 8.405 -7.304 1.00 71.45 H new ATOM 0 HE22 GLN A 52 2.180 8.541 -7.423 1.00 71.45 H new ATOM 873 N VAL A 53 -1.412 4.511 -3.795 1.00 12.41 N ATOM 874 CA VAL A 53 -1.389 3.222 -3.074 1.00 10.13 C ATOM 875 C VAL A 53 -1.324 2.017 -4.047 1.00 3.52 C ATOM 876 O VAL A 53 -0.504 1.117 -3.858 1.00 52.30 O ATOM 877 CB VAL A 53 -2.635 3.078 -2.129 1.00 64.53 C ATOM 878 CG1 VAL A 53 -2.701 1.668 -1.494 1.00 53.15 C ATOM 879 CG2 VAL A 53 -2.634 4.177 -1.037 1.00 73.11 C ATOM 0 H VAL A 53 -2.306 4.998 -3.734 1.00 12.41 H new ATOM 0 HA VAL A 53 -0.484 3.218 -2.467 1.00 10.13 H new ATOM 0 HB VAL A 53 -3.529 3.209 -2.739 1.00 64.53 H new ATOM 0 HG11 VAL A 53 -3.575 1.601 -0.846 1.00 53.15 H new ATOM 0 HG12 VAL A 53 -2.775 0.918 -2.281 1.00 53.15 H new ATOM 0 HG13 VAL A 53 -1.800 1.491 -0.907 1.00 53.15 H new ATOM 0 HG21 VAL A 53 -3.507 4.054 -0.396 1.00 73.11 H new ATOM 0 HG22 VAL A 53 -1.728 4.092 -0.436 1.00 73.11 H new ATOM 0 HG23 VAL A 53 -2.665 5.159 -1.509 1.00 73.11 H new ATOM 889 N SER A 54 -2.205 2.010 -5.071 1.00 54.31 N ATOM 890 CA SER A 54 -2.250 0.933 -6.098 1.00 71.32 C ATOM 891 C SER A 54 -0.894 0.791 -6.830 1.00 1.21 C ATOM 892 O SER A 54 -0.412 -0.323 -7.046 1.00 63.40 O ATOM 893 CB SER A 54 -3.383 1.197 -7.119 1.00 55.20 C ATOM 894 OG SER A 54 -3.202 2.433 -7.794 1.00 33.52 O ATOM 0 H SER A 54 -2.901 2.742 -5.213 1.00 54.31 H new ATOM 0 HA SER A 54 -2.454 -0.004 -5.580 1.00 71.32 H new ATOM 0 HB2 SER A 54 -3.414 0.386 -7.846 1.00 55.20 H new ATOM 0 HB3 SER A 54 -4.344 1.200 -6.604 1.00 55.20 H new ATOM 0 HG SER A 54 -2.683 3.042 -7.228 1.00 33.52 H new ATOM 900 N GLU A 55 -0.284 1.937 -7.179 1.00 34.23 N ATOM 901 CA GLU A 55 1.076 1.981 -7.763 1.00 55.03 C ATOM 902 C GLU A 55 2.146 1.413 -6.798 1.00 1.32 C ATOM 903 O GLU A 55 2.900 0.505 -7.168 1.00 44.21 O ATOM 904 CB GLU A 55 1.441 3.435 -8.172 1.00 11.23 C ATOM 905 CG GLU A 55 0.805 3.910 -9.494 1.00 54.33 C ATOM 906 CD GLU A 55 1.321 3.124 -10.717 1.00 71.11 C ATOM 907 OE1 GLU A 55 2.455 3.398 -11.171 1.00 34.45 O ATOM 908 OE2 GLU A 55 0.621 2.210 -11.204 1.00 3.44 O ATOM 0 H GLU A 55 -0.713 2.856 -7.067 1.00 34.23 H new ATOM 0 HA GLU A 55 1.067 1.347 -8.650 1.00 55.03 H new ATOM 0 HB2 GLU A 55 1.134 4.111 -7.373 1.00 11.23 H new ATOM 0 HB3 GLU A 55 2.525 3.513 -8.257 1.00 11.23 H new ATOM 0 HG2 GLU A 55 -0.278 3.805 -9.430 1.00 54.33 H new ATOM 0 HG3 GLU A 55 1.015 4.970 -9.633 1.00 54.33 H new ATOM 915 N ARG A 56 2.173 1.931 -5.557 1.00 63.11 N ATOM 916 CA ARG A 56 3.211 1.576 -4.558 1.00 64.24 C ATOM 917 C ARG A 56 3.131 0.082 -4.137 1.00 1.42 C ATOM 918 O ARG A 56 4.151 -0.537 -3.834 1.00 11.54 O ATOM 919 CB ARG A 56 3.100 2.497 -3.319 1.00 3.44 C ATOM 920 CG ARG A 56 4.308 2.421 -2.362 1.00 3.24 C ATOM 921 CD ARG A 56 5.613 2.928 -3.008 1.00 3.45 C ATOM 922 NE ARG A 56 6.745 2.837 -2.076 1.00 13.42 N ATOM 923 CZ ARG A 56 8.013 3.003 -2.380 1.00 1.33 C ATOM 924 NH1 ARG A 56 8.395 3.344 -3.574 1.00 73.43 N ATOM 925 NH2 ARG A 56 8.900 2.826 -1.465 1.00 43.42 N ATOM 0 H ARG A 56 1.485 2.602 -5.215 1.00 63.11 H new ATOM 0 HA ARG A 56 4.183 1.726 -5.028 1.00 64.24 H new ATOM 0 HB2 ARG A 56 2.982 3.527 -3.656 1.00 3.44 H new ATOM 0 HB3 ARG A 56 2.197 2.237 -2.767 1.00 3.44 H new ATOM 0 HG2 ARG A 56 4.097 3.010 -1.470 1.00 3.24 H new ATOM 0 HG3 ARG A 56 4.445 1.389 -2.038 1.00 3.24 H new ATOM 0 HD2 ARG A 56 5.829 2.343 -3.902 1.00 3.45 H new ATOM 0 HD3 ARG A 56 5.485 3.962 -3.327 1.00 3.45 H new ATOM 0 HE ARG A 56 6.527 2.625 -1.102 1.00 13.42 H new ATOM 0 HH11 ARG A 56 7.703 3.491 -4.308 1.00 73.43 H new ATOM 0 HH12 ARG A 56 9.387 3.465 -3.777 1.00 73.43 H new ATOM 0 HH21 ARG A 56 8.614 2.561 -0.522 1.00 43.42 H new ATOM 0 HH22 ARG A 56 9.889 2.950 -1.682 1.00 43.42 H new ATOM 939 N PHE A 57 1.907 -0.475 -4.148 1.00 23.43 N ATOM 940 CA PHE A 57 1.656 -1.923 -3.948 1.00 33.23 C ATOM 941 C PHE A 57 2.422 -2.762 -4.991 1.00 11.21 C ATOM 942 O PHE A 57 3.156 -3.689 -4.650 1.00 45.25 O ATOM 943 CB PHE A 57 0.129 -2.218 -4.047 1.00 3.44 C ATOM 944 CG PHE A 57 -0.235 -3.712 -4.167 1.00 22.21 C ATOM 945 CD1 PHE A 57 -0.054 -4.575 -3.098 1.00 61.23 C ATOM 946 CD2 PHE A 57 -0.751 -4.242 -5.355 1.00 51.24 C ATOM 947 CE1 PHE A 57 -0.365 -5.921 -3.201 1.00 73.02 C ATOM 948 CE2 PHE A 57 -1.063 -5.586 -5.462 1.00 64.45 C ATOM 949 CZ PHE A 57 -0.872 -6.424 -4.384 1.00 71.22 C ATOM 0 H PHE A 57 1.055 0.066 -4.296 1.00 23.43 H new ATOM 0 HA PHE A 57 2.012 -2.199 -2.955 1.00 33.23 H new ATOM 0 HB2 PHE A 57 -0.364 -1.808 -3.165 1.00 3.44 H new ATOM 0 HB3 PHE A 57 -0.273 -1.690 -4.911 1.00 3.44 H new ATOM 0 HD1 PHE A 57 0.337 -4.191 -2.167 1.00 61.23 H new ATOM 0 HD2 PHE A 57 -0.908 -3.591 -6.202 1.00 51.24 H new ATOM 0 HE1 PHE A 57 -0.211 -6.577 -2.357 1.00 73.02 H new ATOM 0 HE2 PHE A 57 -1.456 -5.978 -6.389 1.00 64.45 H new ATOM 0 HZ PHE A 57 -1.118 -7.472 -4.464 1.00 71.22 H new ATOM 959 N GLN A 58 2.232 -2.409 -6.262 1.00 1.31 N ATOM 960 CA GLN A 58 2.816 -3.134 -7.404 1.00 64.04 C ATOM 961 C GLN A 58 4.339 -2.873 -7.548 1.00 41.45 C ATOM 962 O GLN A 58 5.058 -3.687 -8.142 1.00 21.44 O ATOM 963 CB GLN A 58 2.031 -2.777 -8.683 1.00 43.30 C ATOM 964 CG GLN A 58 0.519 -3.052 -8.543 1.00 11.04 C ATOM 965 CD GLN A 58 -0.265 -2.833 -9.841 1.00 30.04 C ATOM 966 OE1 GLN A 58 -0.755 -1.743 -10.114 1.00 24.31 O ATOM 967 NE2 GLN A 58 -0.391 -3.872 -10.652 1.00 63.01 N ATOM 0 H GLN A 58 1.665 -1.607 -6.536 1.00 1.31 H new ATOM 0 HA GLN A 58 2.725 -4.206 -7.228 1.00 64.04 H new ATOM 0 HB2 GLN A 58 2.185 -1.724 -8.918 1.00 43.30 H new ATOM 0 HB3 GLN A 58 2.426 -3.352 -9.520 1.00 43.30 H new ATOM 0 HG2 GLN A 58 0.374 -4.080 -8.209 1.00 11.04 H new ATOM 0 HG3 GLN A 58 0.110 -2.404 -7.767 1.00 11.04 H new ATOM 0 HE21 GLN A 58 0.026 -4.768 -10.401 1.00 63.01 H new ATOM 0 HE22 GLN A 58 -0.905 -3.776 -11.528 1.00 63.01 H new ATOM 976 N GLN A 59 4.809 -1.730 -7.001 1.00 13.33 N ATOM 977 CA GLN A 59 6.257 -1.448 -6.838 1.00 1.44 C ATOM 978 C GLN A 59 6.864 -2.442 -5.824 1.00 25.13 C ATOM 979 O GLN A 59 7.898 -3.050 -6.083 1.00 14.21 O ATOM 980 CB GLN A 59 6.495 0.017 -6.359 1.00 41.32 C ATOM 981 CG GLN A 59 6.106 1.120 -7.369 1.00 2.44 C ATOM 982 CD GLN A 59 6.906 1.065 -8.674 1.00 21.43 C ATOM 983 OE1 GLN A 59 7.997 1.619 -8.769 1.00 41.32 O ATOM 984 NE2 GLN A 59 6.375 0.415 -9.690 1.00 43.44 N ATOM 0 H GLN A 59 4.204 -0.982 -6.662 1.00 13.33 H new ATOM 0 HA GLN A 59 6.744 -1.568 -7.806 1.00 1.44 H new ATOM 0 HB2 GLN A 59 5.932 0.176 -5.440 1.00 41.32 H new ATOM 0 HB3 GLN A 59 7.550 0.132 -6.110 1.00 41.32 H new ATOM 0 HG2 GLN A 59 5.044 1.032 -7.599 1.00 2.44 H new ATOM 0 HG3 GLN A 59 6.252 2.095 -6.904 1.00 2.44 H new ATOM 0 HE21 GLN A 59 5.467 -0.038 -9.587 1.00 43.44 H new ATOM 0 HE22 GLN A 59 6.872 0.365 -10.579 1.00 43.44 H new ATOM 993 N LEU A 60 6.167 -2.609 -4.688 1.00 60.33 N ATOM 994 CA LEU A 60 6.522 -3.578 -3.626 1.00 52.11 C ATOM 995 C LEU A 60 6.566 -5.034 -4.150 1.00 64.42 C ATOM 996 O LEU A 60 7.518 -5.762 -3.858 1.00 62.41 O ATOM 997 CB LEU A 60 5.520 -3.438 -2.444 1.00 70.50 C ATOM 998 CG LEU A 60 5.808 -2.266 -1.449 1.00 32.30 C ATOM 999 CD1 LEU A 60 4.573 -1.932 -0.581 1.00 61.34 C ATOM 1000 CD2 LEU A 60 7.036 -2.599 -0.564 1.00 3.40 C ATOM 0 H LEU A 60 5.328 -2.069 -4.474 1.00 60.33 H new ATOM 0 HA LEU A 60 7.529 -3.347 -3.278 1.00 52.11 H new ATOM 0 HB2 LEU A 60 4.519 -3.305 -2.854 1.00 70.50 H new ATOM 0 HB3 LEU A 60 5.514 -4.373 -1.884 1.00 70.50 H new ATOM 0 HG LEU A 60 6.034 -1.378 -2.038 1.00 32.30 H new ATOM 0 HD11 LEU A 60 4.815 -1.113 0.096 1.00 61.34 H new ATOM 0 HD12 LEU A 60 3.744 -1.637 -1.225 1.00 61.34 H new ATOM 0 HD13 LEU A 60 4.288 -2.810 -0.001 1.00 61.34 H new ATOM 0 HD21 LEU A 60 7.224 -1.774 0.123 1.00 3.40 H new ATOM 0 HD22 LEU A 60 6.839 -3.507 0.005 1.00 3.40 H new ATOM 0 HD23 LEU A 60 7.910 -2.750 -1.197 1.00 3.40 H new ATOM 1012 N MET A 61 5.548 -5.434 -4.941 1.00 35.30 N ATOM 1013 CA MET A 61 5.486 -6.788 -5.563 1.00 62.54 C ATOM 1014 C MET A 61 6.705 -7.038 -6.493 1.00 2.24 C ATOM 1015 O MET A 61 7.241 -8.155 -6.566 1.00 62.10 O ATOM 1016 CB MET A 61 4.172 -6.968 -6.367 1.00 24.11 C ATOM 1017 CG MET A 61 2.865 -6.817 -5.567 1.00 74.21 C ATOM 1018 SD MET A 61 2.747 -7.937 -4.150 1.00 43.23 S ATOM 1019 CE MET A 61 3.220 -6.890 -2.776 1.00 63.03 C ATOM 0 H MET A 61 4.751 -4.840 -5.169 1.00 35.30 H new ATOM 0 HA MET A 61 5.510 -7.518 -4.754 1.00 62.54 H new ATOM 0 HB2 MET A 61 4.164 -6.241 -7.179 1.00 24.11 H new ATOM 0 HB3 MET A 61 4.182 -7.957 -6.825 1.00 24.11 H new ATOM 0 HG2 MET A 61 2.782 -5.789 -5.214 1.00 74.21 H new ATOM 0 HG3 MET A 61 2.020 -6.996 -6.232 1.00 74.21 H new ATOM 0 HE1 MET A 61 3.034 -7.414 -1.838 1.00 63.03 H new ATOM 0 HE2 MET A 61 4.280 -6.647 -2.852 1.00 63.03 H new ATOM 0 HE3 MET A 61 2.635 -5.971 -2.801 1.00 63.03 H new ATOM 1029 N LYS A 62 7.134 -5.966 -7.181 1.00 11.21 N ATOM 1030 CA LYS A 62 8.310 -5.978 -8.073 1.00 71.23 C ATOM 1031 C LYS A 62 9.629 -6.136 -7.254 1.00 73.41 C ATOM 1032 O LYS A 62 10.604 -6.732 -7.721 1.00 43.44 O ATOM 1033 CB LYS A 62 8.338 -4.663 -8.916 1.00 42.21 C ATOM 1034 CG LYS A 62 9.004 -4.793 -10.302 1.00 13.32 C ATOM 1035 CD LYS A 62 8.141 -5.623 -11.284 1.00 74.14 C ATOM 1036 CE LYS A 62 8.802 -5.814 -12.658 1.00 34.32 C ATOM 1037 NZ LYS A 62 10.048 -6.617 -12.574 1.00 22.15 N ATOM 0 H LYS A 62 6.671 -5.058 -7.134 1.00 11.21 H new ATOM 0 HA LYS A 62 8.234 -6.832 -8.746 1.00 71.23 H new ATOM 0 HB2 LYS A 62 7.314 -4.314 -9.052 1.00 42.21 H new ATOM 0 HB3 LYS A 62 8.863 -3.895 -8.347 1.00 42.21 H new ATOM 0 HG2 LYS A 62 9.173 -3.800 -10.718 1.00 13.32 H new ATOM 0 HG3 LYS A 62 9.981 -5.263 -10.192 1.00 13.32 H new ATOM 0 HD2 LYS A 62 7.941 -6.601 -10.845 1.00 74.14 H new ATOM 0 HD3 LYS A 62 7.178 -5.130 -11.417 1.00 74.14 H new ATOM 0 HE2 LYS A 62 8.100 -6.305 -13.332 1.00 34.32 H new ATOM 0 HE3 LYS A 62 9.029 -4.839 -13.089 1.00 34.32 H new ATOM 0 HZ1 LYS A 62 10.386 -6.835 -13.533 1.00 22.15 H new ATOM 0 HZ2 LYS A 62 10.776 -6.076 -12.065 1.00 22.15 H new ATOM 0 HZ3 LYS A 62 9.856 -7.503 -12.065 1.00 22.15 H new ATOM 1051 N LEU A 63 9.632 -5.587 -6.024 1.00 4.53 N ATOM 1052 CA LEU A 63 10.777 -5.678 -5.082 1.00 73.12 C ATOM 1053 C LEU A 63 10.875 -7.081 -4.424 1.00 4.14 C ATOM 1054 O LEU A 63 11.975 -7.527 -4.081 1.00 31.53 O ATOM 1055 CB LEU A 63 10.659 -4.570 -4.000 1.00 73.02 C ATOM 1056 CG LEU A 63 10.647 -3.104 -4.548 1.00 50.12 C ATOM 1057 CD1 LEU A 63 10.299 -2.086 -3.445 1.00 14.30 C ATOM 1058 CD2 LEU A 63 11.981 -2.750 -5.248 1.00 30.15 C ATOM 0 H LEU A 63 8.840 -5.065 -5.649 1.00 4.53 H new ATOM 0 HA LEU A 63 11.694 -5.527 -5.651 1.00 73.12 H new ATOM 0 HB2 LEU A 63 9.744 -4.736 -3.431 1.00 73.02 H new ATOM 0 HB3 LEU A 63 11.491 -4.674 -3.304 1.00 73.02 H new ATOM 0 HG LEU A 63 9.859 -3.046 -5.299 1.00 50.12 H new ATOM 0 HD11 LEU A 63 10.301 -1.080 -3.865 1.00 14.30 H new ATOM 0 HD12 LEU A 63 9.311 -2.309 -3.042 1.00 14.30 H new ATOM 0 HD13 LEU A 63 11.039 -2.147 -2.647 1.00 14.30 H new ATOM 0 HD21 LEU A 63 11.938 -1.725 -5.616 1.00 30.15 H new ATOM 0 HD22 LEU A 63 12.802 -2.846 -4.537 1.00 30.15 H new ATOM 0 HD23 LEU A 63 12.145 -3.430 -6.084 1.00 30.15 H new ATOM 1070 N PHE A 64 9.712 -7.761 -4.236 1.00 5.24 N ATOM 1071 CA PHE A 64 9.668 -9.177 -3.759 1.00 64.42 C ATOM 1072 C PHE A 64 10.356 -10.139 -4.759 1.00 42.15 C ATOM 1073 O PHE A 64 10.880 -11.189 -4.365 1.00 60.41 O ATOM 1074 CB PHE A 64 8.203 -9.643 -3.480 1.00 22.14 C ATOM 1075 CG PHE A 64 7.641 -9.176 -2.132 1.00 13.00 C ATOM 1076 CD1 PHE A 64 7.968 -9.853 -0.956 1.00 13.11 C ATOM 1077 CD2 PHE A 64 6.800 -8.074 -2.038 1.00 42.21 C ATOM 1078 CE1 PHE A 64 7.472 -9.436 0.266 1.00 25.14 C ATOM 1079 CE2 PHE A 64 6.306 -7.659 -0.819 1.00 4.40 C ATOM 1080 CZ PHE A 64 6.641 -8.340 0.334 1.00 53.42 C ATOM 0 H PHE A 64 8.792 -7.355 -4.406 1.00 5.24 H new ATOM 0 HA PHE A 64 10.222 -9.210 -2.821 1.00 64.42 H new ATOM 0 HB2 PHE A 64 7.558 -9.274 -4.277 1.00 22.14 H new ATOM 0 HB3 PHE A 64 8.166 -10.732 -3.519 1.00 22.14 H new ATOM 0 HD1 PHE A 64 8.618 -10.715 -1.001 1.00 13.11 H new ATOM 0 HD2 PHE A 64 6.529 -7.534 -2.933 1.00 42.21 H new ATOM 0 HE1 PHE A 64 7.736 -9.970 1.167 1.00 25.14 H new ATOM 0 HE2 PHE A 64 5.655 -6.799 -0.766 1.00 4.40 H new ATOM 0 HZ PHE A 64 6.252 -8.014 1.287 1.00 53.42 H new ATOM 1090 N GLU A 65 10.330 -9.771 -6.054 1.00 22.43 N ATOM 1091 CA GLU A 65 11.113 -10.457 -7.101 1.00 62.23 C ATOM 1092 C GLU A 65 12.625 -10.248 -6.847 1.00 75.22 C ATOM 1093 O GLU A 65 13.375 -11.214 -6.637 1.00 34.11 O ATOM 1094 CB GLU A 65 10.722 -9.903 -8.497 1.00 74.42 C ATOM 1095 CG GLU A 65 9.234 -10.074 -8.860 1.00 74.33 C ATOM 1096 CD GLU A 65 8.809 -9.355 -10.155 1.00 2.34 C ATOM 1097 OE1 GLU A 65 9.620 -9.273 -11.109 1.00 23.42 O ATOM 1098 OE2 GLU A 65 7.658 -8.872 -10.222 1.00 44.35 O ATOM 0 H GLU A 65 9.769 -8.994 -6.403 1.00 22.43 H new ATOM 0 HA GLU A 65 10.896 -11.525 -7.072 1.00 62.23 H new ATOM 0 HB2 GLU A 65 10.973 -8.843 -8.536 1.00 74.42 H new ATOM 0 HB3 GLU A 65 11.327 -10.402 -9.254 1.00 74.42 H new ATOM 0 HG2 GLU A 65 9.017 -11.137 -8.961 1.00 74.33 H new ATOM 0 HG3 GLU A 65 8.626 -9.701 -8.036 1.00 74.33 H new ATOM 1105 N LYS A 66 13.038 -8.962 -6.833 1.00 52.23 N ATOM 1106 CA LYS A 66 14.435 -8.545 -6.595 1.00 31.21 C ATOM 1107 C LYS A 66 14.511 -7.010 -6.457 1.00 14.54 C ATOM 1108 O LYS A 66 14.053 -6.283 -7.348 1.00 73.21 O ATOM 1109 CB LYS A 66 15.371 -9.026 -7.743 1.00 71.44 C ATOM 1110 CG LYS A 66 16.868 -8.707 -7.533 1.00 4.22 C ATOM 1111 CD LYS A 66 17.757 -9.279 -8.660 1.00 70.35 C ATOM 1112 CE LYS A 66 19.252 -9.015 -8.428 1.00 31.44 C ATOM 1113 NZ LYS A 66 20.091 -9.604 -9.502 1.00 2.51 N ATOM 0 H LYS A 66 12.404 -8.178 -6.988 1.00 52.23 H new ATOM 0 HA LYS A 66 14.774 -9.008 -5.668 1.00 31.21 H new ATOM 0 HB2 LYS A 66 15.256 -10.104 -7.859 1.00 71.44 H new ATOM 0 HB3 LYS A 66 15.043 -8.568 -8.676 1.00 71.44 H new ATOM 0 HG2 LYS A 66 17.002 -7.627 -7.481 1.00 4.22 H new ATOM 0 HG3 LYS A 66 17.193 -9.115 -6.576 1.00 4.22 H new ATOM 0 HD2 LYS A 66 17.590 -10.353 -8.739 1.00 70.35 H new ATOM 0 HD3 LYS A 66 17.458 -8.839 -9.611 1.00 70.35 H new ATOM 0 HE2 LYS A 66 19.428 -7.940 -8.378 1.00 31.44 H new ATOM 0 HE3 LYS A 66 19.549 -9.431 -7.466 1.00 31.44 H new ATOM 0 HZ1 LYS A 66 21.093 -9.404 -9.309 1.00 2.51 H new ATOM 0 HZ2 LYS A 66 19.943 -10.633 -9.533 1.00 2.51 H new ATOM 0 HZ3 LYS A 66 19.825 -9.188 -10.417 1.00 2.51 H new ATOM 1127 N SER A 67 15.089 -6.521 -5.345 1.00 3.11 N ATOM 1128 CA SER A 67 15.317 -5.072 -5.134 1.00 52.25 C ATOM 1129 C SER A 67 16.629 -4.633 -5.838 1.00 12.25 C ATOM 1130 O SER A 67 17.715 -4.654 -5.247 1.00 33.40 O ATOM 1131 CB SER A 67 15.341 -4.726 -3.624 1.00 31.11 C ATOM 1132 OG SER A 67 14.102 -5.037 -2.995 1.00 21.11 O ATOM 0 H SER A 67 15.409 -7.107 -4.574 1.00 3.11 H new ATOM 0 HA SER A 67 14.489 -4.519 -5.578 1.00 52.25 H new ATOM 0 HB2 SER A 67 16.145 -5.277 -3.137 1.00 31.11 H new ATOM 0 HB3 SER A 67 15.558 -3.665 -3.497 1.00 31.11 H new ATOM 0 HG SER A 67 14.152 -4.808 -2.043 1.00 21.11 H new ATOM 1138 N LYS A 68 16.504 -4.310 -7.136 1.00 2.45 N ATOM 1139 CA LYS A 68 17.616 -3.847 -7.999 1.00 15.14 C ATOM 1140 C LYS A 68 17.638 -2.298 -8.071 1.00 71.31 C ATOM 1141 O LYS A 68 16.579 -1.674 -8.233 1.00 35.41 O ATOM 1142 CB LYS A 68 17.459 -4.479 -9.410 1.00 72.42 C ATOM 1143 CG LYS A 68 18.409 -3.932 -10.493 1.00 21.33 C ATOM 1144 CD LYS A 68 18.173 -4.583 -11.877 1.00 32.51 C ATOM 1145 CE LYS A 68 18.888 -3.827 -13.016 1.00 34.24 C ATOM 1146 NZ LYS A 68 18.361 -2.440 -13.186 1.00 13.43 N ATOM 0 H LYS A 68 15.613 -4.363 -7.629 1.00 2.45 H new ATOM 0 HA LYS A 68 18.569 -4.165 -7.576 1.00 15.14 H new ATOM 0 HB2 LYS A 68 17.613 -5.555 -9.326 1.00 72.42 H new ATOM 0 HB3 LYS A 68 16.432 -4.329 -9.743 1.00 72.42 H new ATOM 0 HG2 LYS A 68 18.276 -2.853 -10.576 1.00 21.33 H new ATOM 0 HG3 LYS A 68 19.441 -4.104 -10.186 1.00 21.33 H new ATOM 0 HD2 LYS A 68 18.524 -5.615 -11.854 1.00 32.51 H new ATOM 0 HD3 LYS A 68 17.103 -4.615 -12.082 1.00 32.51 H new ATOM 0 HE2 LYS A 68 19.957 -3.785 -12.808 1.00 34.24 H new ATOM 0 HE3 LYS A 68 18.766 -4.378 -13.949 1.00 34.24 H new ATOM 0 HZ1 LYS A 68 18.647 -2.072 -14.116 1.00 13.43 H new ATOM 0 HZ2 LYS A 68 17.323 -2.453 -13.123 1.00 13.43 H new ATOM 0 HZ3 LYS A 68 18.746 -1.828 -12.438 1.00 13.43 H new ATOM 1160 N CYS A 69 18.859 -1.704 -7.979 1.00 13.42 N ATOM 1161 CA CYS A 69 19.091 -0.240 -7.802 1.00 63.50 C ATOM 1162 C CYS A 69 18.577 0.246 -6.424 1.00 12.12 C ATOM 1163 O CYS A 69 19.368 0.645 -5.564 1.00 71.31 O ATOM 1164 CB CYS A 69 18.492 0.613 -8.955 1.00 0.04 C ATOM 1165 SG CYS A 69 18.746 2.399 -8.771 1.00 60.25 S ATOM 0 H CYS A 69 19.727 -2.238 -8.026 1.00 13.42 H new ATOM 0 HA CYS A 69 20.171 -0.094 -7.838 1.00 63.50 H new ATOM 0 HB2 CYS A 69 18.934 0.290 -9.898 1.00 0.04 H new ATOM 0 HB3 CYS A 69 17.422 0.415 -9.020 1.00 0.04 H new ATOM 0 HG CYS A 69 18.213 3.019 -9.782 1.00 60.25 H new ATOM 1171 N ARG A 70 17.243 0.207 -6.230 1.00 34.13 N ATOM 1172 CA ARG A 70 16.600 0.493 -4.931 1.00 4.54 C ATOM 1173 C ARG A 70 16.145 -0.841 -4.255 1.00 13.23 C ATOM 1174 O ARG A 70 14.993 -1.284 -4.474 1.00 37.57 O ATOM 1175 CB ARG A 70 15.407 1.481 -5.136 1.00 22.44 C ATOM 1176 CG ARG A 70 15.780 2.820 -5.817 1.00 70.23 C ATOM 1177 CD ARG A 70 16.912 3.571 -5.084 1.00 40.30 C ATOM 1178 NE ARG A 70 16.588 3.857 -3.670 1.00 40.25 N ATOM 1179 CZ ARG A 70 17.463 4.091 -2.717 1.00 4.41 C ATOM 1180 NH1 ARG A 70 18.742 4.071 -2.955 1.00 42.33 N ATOM 1181 NH2 ARG A 70 17.046 4.343 -1.524 1.00 32.22 N ATOM 1182 OXT ARG A 70 16.957 -1.454 -3.522 1.00 37.57 O ATOM 0 H ARG A 70 16.580 -0.024 -6.970 1.00 34.13 H new ATOM 0 HA ARG A 70 17.316 0.972 -4.263 1.00 4.54 H new ATOM 0 HB2 ARG A 70 14.643 0.986 -5.735 1.00 22.44 H new ATOM 0 HB3 ARG A 70 14.961 1.696 -4.165 1.00 22.44 H new ATOM 0 HG2 ARG A 70 16.086 2.626 -6.845 1.00 70.23 H new ATOM 0 HG3 ARG A 70 14.897 3.458 -5.862 1.00 70.23 H new ATOM 0 HD2 ARG A 70 17.825 2.977 -5.130 1.00 40.30 H new ATOM 0 HD3 ARG A 70 17.115 4.508 -5.602 1.00 40.30 H new ATOM 0 HE ARG A 70 15.601 3.874 -3.412 1.00 40.25 H new ATOM 0 HH11 ARG A 70 19.083 3.871 -3.895 1.00 42.33 H new ATOM 0 HH12 ARG A 70 19.404 4.255 -2.201 1.00 42.33 H new ATOM 0 HH21 ARG A 70 16.045 4.360 -1.326 1.00 32.22 H new ATOM 0 HH22 ARG A 70 17.716 4.526 -0.777 1.00 32.22 H new TER 1196 ARG A 70