USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 11 MET CE :methyl -167:sc= -1.85 (180deg=-2.19) USER MOD Set 1.2: B 30 MET CE :methyl -177:sc= -5.1! (180deg=-5.28!) USER MOD Set 2.1: A 11 MET CE :methyl -138:sc= -3.32 (180deg=-7.5!) USER MOD Set 2.2: A 30 MET CE :methyl -158:sc= -5.65! (180deg=-9.19!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 13 MET CE :methyl -131:sc= -0.0509 (180deg=-0.506) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.0125 K(o=0.012,f=-3.3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0525 F(o=-2.6!,f=-0.053) USER MOD Single : A 39 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.54) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 MET CE :methyl -162:sc= -0.224 (180deg=-0.853) USER MOD Single : B 18 LYS NZ :NH3+ -129:sc= 0.545 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0794) USER MOD Single : B 26 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.011) USER MOD Single : B 29 SER OG : rot 36:sc= 0.163 USER MOD Single : B 31 ASN : amide:sc= -0.0137 K(o=-0.014,f=-4.9!) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 GLN :FLIP amide:sc= -0.823 F(o=-2.1,f=-0.82) USER MOD Single : B 39 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 4 14.315 -13.743 -4.285 1.00 0.00 N ATOM 26 CA ASP A 4 12.906 -13.440 -4.654 1.00 0.00 C ATOM 27 C ASP A 4 11.888 -14.380 -3.923 1.00 0.00 C ATOM 28 O ASP A 4 11.512 -15.406 -4.499 1.00 0.00 O ATOM 29 CB ASP A 4 12.715 -13.377 -6.200 1.00 0.00 C ATOM 30 CG ASP A 4 13.212 -14.554 -7.052 1.00 0.00 C ATOM 31 OD1 ASP A 4 12.383 -15.635 -7.007 1.00 0.00 O ATOM 32 OD2 ASP A 4 14.256 -14.513 -7.698 1.00 0.00 O ATOM 0 HA ASP A 4 12.677 -12.438 -4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.650 -13.253 -6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.213 -12.476 -6.558 1.00 0.00 H new ATOM 33 N PRO A 5 11.427 -14.118 -2.667 1.00 0.00 N ATOM 34 CA PRO A 5 10.793 -15.166 -1.830 1.00 0.00 C ATOM 35 C PRO A 5 9.242 -15.140 -1.886 1.00 0.00 C ATOM 36 O PRO A 5 8.604 -14.083 -1.796 1.00 0.00 O ATOM 37 CB PRO A 5 11.380 -14.866 -0.429 1.00 0.00 C ATOM 38 CG PRO A 5 12.421 -13.760 -0.649 1.00 0.00 C ATOM 39 CD PRO A 5 11.868 -12.991 -1.826 1.00 0.00 C ATOM 0 HA PRO A 5 11.006 -16.180 -2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.602 -14.541 0.261 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.838 -15.756 0.003 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.527 -13.126 0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.407 -14.172 -0.865 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.047 -12.331 -1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.622 -12.374 -2.315 1.00 0.00 H new ATOM 40 N HIS A 6 8.676 -16.346 -1.993 1.00 0.00 N ATOM 41 CA HIS A 6 7.215 -16.581 -1.947 1.00 0.00 C ATOM 42 C HIS A 6 6.706 -16.607 -0.459 1.00 0.00 C ATOM 43 O HIS A 6 7.142 -17.463 0.321 1.00 0.00 O ATOM 44 CB HIS A 6 6.907 -17.965 -2.598 1.00 0.00 C ATOM 45 CG HIS A 6 7.296 -18.173 -4.061 1.00 0.00 C ATOM 46 ND1 HIS A 6 8.561 -18.581 -4.460 1.00 0.00 N ATOM 47 CD2 HIS A 6 6.459 -17.991 -5.169 1.00 0.00 C ATOM 48 CE1 HIS A 6 8.375 -18.581 -5.818 1.00 0.00 C ATOM 49 NE2 HIS A 6 7.146 -18.272 -6.338 1.00 0.00 N ATOM 0 H HIS A 6 9.218 -17.201 -2.116 1.00 0.00 H new ATOM 0 HA HIS A 6 6.712 -15.777 -2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.409 -18.731 -2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.836 -18.145 -2.509 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.427 -17.677 -5.119 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.196 -18.824 -6.477 1.00 0.00 H new ATOM 0 HE2 HIS A 6 6.828 -18.254 -7.307 1.00 0.00 H new ATOM 50 N PHE A 7 5.755 -15.748 -0.051 1.00 0.00 N ATOM 51 CA PHE A 7 4.930 -16.002 1.161 1.00 0.00 C ATOM 52 C PHE A 7 3.394 -15.945 0.854 1.00 0.00 C ATOM 53 O PHE A 7 2.919 -15.313 -0.097 1.00 0.00 O ATOM 54 CB PHE A 7 5.439 -15.138 2.354 1.00 0.00 C ATOM 55 CG PHE A 7 4.835 -13.741 2.566 1.00 0.00 C ATOM 56 CD1 PHE A 7 3.628 -13.609 3.267 1.00 0.00 C ATOM 57 CD2 PHE A 7 5.487 -12.584 2.118 1.00 0.00 C ATOM 58 CE1 PHE A 7 3.091 -12.359 3.497 1.00 0.00 C ATOM 59 CE2 PHE A 7 4.970 -11.330 2.414 1.00 0.00 C ATOM 60 CZ PHE A 7 3.788 -11.231 3.139 1.00 0.00 C ATOM 0 H PHE A 7 5.534 -14.877 -0.533 1.00 0.00 H new ATOM 0 HA PHE A 7 5.064 -17.032 1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 7 5.278 -15.710 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.516 -15.018 2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 7 3.117 -14.489 3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.395 -12.668 1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.120 -12.267 3.960 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.482 -10.438 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.414 -10.258 3.423 1.00 0.00 H new ATOM 61 N ASN A 8 2.598 -16.591 1.717 1.00 0.00 N ATOM 62 CA ASN A 8 1.114 -16.561 1.616 1.00 0.00 C ATOM 63 C ASN A 8 0.515 -15.148 1.946 1.00 0.00 C ATOM 64 O ASN A 8 0.382 -14.759 3.111 1.00 0.00 O ATOM 65 CB ASN A 8 0.538 -17.641 2.578 1.00 0.00 C ATOM 66 CG ASN A 8 0.846 -19.101 2.240 1.00 0.00 C ATOM 67 OD1 ASN A 8 0.692 -19.560 1.117 1.00 0.00 O ATOM 68 ND2 ASN A 8 1.262 -19.893 3.192 1.00 0.00 N ATOM 0 H ASN A 8 2.949 -17.145 2.498 1.00 0.00 H new ATOM 0 HA ASN A 8 0.831 -16.775 0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.914 -17.438 3.581 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.545 -17.522 2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.452 -20.875 2.992 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.397 -19.529 4.135 1.00 0.00 H new ATOM 69 N PHE A 9 0.111 -14.406 0.911 1.00 0.00 N ATOM 70 CA PHE A 9 -0.790 -13.258 1.027 1.00 0.00 C ATOM 71 C PHE A 9 -1.981 -13.514 0.089 1.00 0.00 C ATOM 72 O PHE A 9 -1.912 -13.248 -1.108 1.00 0.00 O ATOM 73 CB PHE A 9 0.086 -12.020 0.706 1.00 0.00 C ATOM 74 CG PHE A 9 -0.438 -10.780 1.398 1.00 0.00 C ATOM 75 CD1 PHE A 9 -0.343 -10.683 2.792 1.00 0.00 C ATOM 76 CD2 PHE A 9 -0.801 -9.648 0.664 1.00 0.00 C ATOM 77 CE1 PHE A 9 -0.619 -9.489 3.422 1.00 0.00 C ATOM 78 CE2 PHE A 9 -1.158 -8.480 1.303 1.00 0.00 C ATOM 79 CZ PHE A 9 -0.957 -8.386 2.660 1.00 0.00 C ATOM 0 H PHE A 9 0.407 -14.590 -0.048 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.234 -13.092 2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.113 -12.207 1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.107 -11.856 -0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.053 -11.545 3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.802 -9.689 -0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.572 -9.416 4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.586 -7.657 0.750 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.066 -7.426 3.143 1.00 0.00 H new ATOM 80 N ARG A 10 -3.193 -13.876 0.485 1.00 0.00 N ATOM 81 CA ARG A 10 -3.659 -14.363 1.819 1.00 0.00 C ATOM 82 C ARG A 10 -4.200 -13.188 2.678 1.00 0.00 C ATOM 83 O ARG A 10 -3.456 -12.524 3.405 1.00 0.00 O ATOM 84 CB ARG A 10 -2.855 -15.421 2.605 1.00 0.00 C ATOM 85 CG ARG A 10 -3.744 -16.450 3.356 1.00 0.00 C ATOM 86 CD ARG A 10 -4.756 -15.941 4.396 1.00 0.00 C ATOM 87 NE ARG A 10 -4.084 -15.298 5.555 1.00 0.00 N ATOM 88 CZ ARG A 10 -4.702 -14.752 6.595 1.00 0.00 C ATOM 89 NH1 ARG A 10 -5.991 -14.734 6.753 1.00 0.00 N ATOM 90 NH2 ARG A 10 -3.981 -14.214 7.512 1.00 0.00 N ATOM 0 H ARG A 10 -3.971 -13.840 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.472 -15.030 1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.201 -15.954 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.213 -14.915 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.298 -17.015 2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.080 -17.153 3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.431 -15.226 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.366 -16.773 4.746 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.064 -15.274 5.551 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.597 -15.158 6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.397 -14.296 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.964 -14.215 7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.425 -13.786 8.324 1.00 0.00 H new ATOM 91 N MET A 11 -5.488 -12.869 2.477 1.00 0.00 N ATOM 92 CA MET A 11 -5.998 -11.502 2.761 1.00 0.00 C ATOM 93 C MET A 11 -7.548 -11.498 3.012 1.00 0.00 C ATOM 94 O MET A 11 -8.268 -12.069 2.183 1.00 0.00 O ATOM 95 CB MET A 11 -5.701 -10.630 1.513 1.00 0.00 C ATOM 96 CG MET A 11 -4.248 -10.234 1.214 1.00 0.00 C ATOM 97 SD MET A 11 -4.226 -9.161 -0.225 1.00 0.00 S ATOM 98 CE MET A 11 -3.147 -10.087 -1.329 1.00 0.00 C ATOM 0 H MET A 11 -6.191 -13.520 2.126 1.00 0.00 H new ATOM 0 HA MET A 11 -5.512 -11.121 3.659 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.084 -11.161 0.641 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.280 -9.712 1.607 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.812 -9.723 2.072 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.644 -11.123 1.031 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.463 -9.401 -1.829 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.575 -10.814 -0.753 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.749 -10.607 -2.074 1.00 0.00 H new ATOM 99 N PRO A 12 -8.133 -10.820 4.048 1.00 0.00 N ATOM 100 CA PRO A 12 -9.602 -10.580 4.138 1.00 0.00 C ATOM 101 C PRO A 12 -10.336 -9.998 2.885 1.00 0.00 C ATOM 102 O PRO A 12 -9.745 -9.382 1.981 1.00 0.00 O ATOM 103 CB PRO A 12 -9.720 -9.709 5.405 1.00 0.00 C ATOM 104 CG PRO A 12 -8.500 -10.073 6.250 1.00 0.00 C ATOM 105 CD PRO A 12 -7.397 -10.333 5.226 1.00 0.00 C ATOM 0 HA PRO A 12 -10.139 -11.528 4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.725 -8.648 5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.647 -9.915 5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.230 -9.264 6.929 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.689 -10.954 6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.835 -9.426 5.002 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.681 -11.072 5.586 1.00 0.00 H new ATOM 106 N MET A 13 -11.653 -10.262 2.830 1.00 0.00 N ATOM 107 CA MET A 13 -12.415 -10.150 1.557 1.00 0.00 C ATOM 108 C MET A 13 -12.490 -8.736 0.905 1.00 0.00 C ATOM 109 O MET A 13 -12.286 -8.624 -0.303 1.00 0.00 O ATOM 110 CB MET A 13 -13.808 -10.806 1.728 1.00 0.00 C ATOM 111 CG MET A 13 -14.615 -11.032 0.425 1.00 0.00 C ATOM 112 SD MET A 13 -13.600 -11.401 -1.034 1.00 0.00 S ATOM 113 CE MET A 13 -12.748 -12.933 -0.615 1.00 0.00 C ATOM 0 H MET A 13 -12.212 -10.550 3.633 1.00 0.00 H new ATOM 0 HA MET A 13 -11.829 -10.699 0.820 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.676 -11.769 2.222 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.402 -10.183 2.397 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.314 -11.854 0.583 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.210 -10.142 0.222 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.684 -12.827 -0.827 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.887 -13.149 0.444 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.157 -13.751 -1.209 1.00 0.00 H new ATOM 114 N GLU A 14 -12.690 -7.657 1.682 1.00 0.00 N ATOM 115 CA GLU A 14 -12.459 -6.278 1.173 1.00 0.00 C ATOM 116 C GLU A 14 -10.998 -5.951 0.717 1.00 0.00 C ATOM 117 O GLU A 14 -10.861 -5.289 -0.299 1.00 0.00 O ATOM 118 CB GLU A 14 -13.081 -5.226 2.132 1.00 0.00 C ATOM 119 CG GLU A 14 -12.253 -4.855 3.391 1.00 0.00 C ATOM 120 CD GLU A 14 -12.967 -3.927 4.365 1.00 0.00 C ATOM 121 OE1 GLU A 14 -12.898 -2.622 3.987 1.00 0.00 O ATOM 122 OE2 GLU A 14 -13.535 -4.311 5.381 1.00 0.00 O ATOM 0 H GLU A 14 -13.006 -7.702 2.651 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.995 -6.220 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.264 -4.314 1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.052 -5.597 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.981 -5.771 3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.324 -4.382 3.073 1.00 0.00 H new ATOM 123 N VAL A 15 -9.919 -6.409 1.379 1.00 0.00 N ATOM 124 CA VAL A 15 -8.511 -6.183 0.912 1.00 0.00 C ATOM 125 C VAL A 15 -8.198 -6.725 -0.489 1.00 0.00 C ATOM 126 O VAL A 15 -7.504 -6.030 -1.220 1.00 0.00 O ATOM 127 CB VAL A 15 -7.436 -6.794 1.877 1.00 0.00 C ATOM 128 CG1 VAL A 15 -6.120 -6.014 1.786 1.00 0.00 C ATOM 129 CG2 VAL A 15 -7.792 -6.889 3.378 1.00 0.00 C ATOM 0 H VAL A 15 -9.982 -6.943 2.246 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.451 -5.095 0.896 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.366 -7.819 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.388 -6.455 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.741 -6.057 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.293 -4.975 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.957 -7.330 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.993 -5.891 3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.677 -7.513 3.503 1.00 0.00 H new ATOM 130 N ARG A 16 -8.620 -7.934 -0.860 1.00 0.00 N ATOM 131 CA ARG A 16 -8.465 -8.367 -2.270 1.00 0.00 C ATOM 132 C ARG A 16 -9.716 -8.683 -3.102 1.00 0.00 C ATOM 133 O ARG A 16 -9.546 -9.036 -4.255 1.00 0.00 O ATOM 134 CB ARG A 16 -7.223 -9.223 -2.464 1.00 0.00 C ATOM 135 CG ARG A 16 -7.012 -10.517 -1.720 1.00 0.00 C ATOM 136 CD ARG A 16 -7.658 -11.723 -2.407 1.00 0.00 C ATOM 137 NE ARG A 16 -6.844 -12.183 -3.567 1.00 0.00 N ATOM 138 CZ ARG A 16 -6.655 -13.445 -3.933 1.00 0.00 C ATOM 139 NH1 ARG A 16 -7.060 -14.475 -3.260 1.00 0.00 N ATOM 140 NH2 ARG A 16 -6.021 -13.662 -5.028 1.00 0.00 N ATOM 0 H ARG A 16 -9.057 -8.616 -0.240 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.266 -7.444 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.170 -9.461 -3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.367 -8.588 -2.236 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.942 -10.697 -1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.419 -10.420 -0.714 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.767 -12.537 -1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.660 -11.459 -2.745 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.391 -11.464 -4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.563 -14.345 -2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.876 -15.416 -3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.681 -12.878 -5.585 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.857 -14.619 -5.341 1.00 0.00 H new ATOM 141 N GLU A 17 -10.899 -8.173 -2.760 1.00 0.00 N ATOM 142 CA GLU A 17 -11.628 -7.321 -3.730 1.00 0.00 C ATOM 143 C GLU A 17 -10.909 -5.962 -4.022 1.00 0.00 C ATOM 144 O GLU A 17 -10.766 -5.630 -5.188 1.00 0.00 O ATOM 145 CB GLU A 17 -13.071 -7.080 -3.248 1.00 0.00 C ATOM 146 CG GLU A 17 -14.008 -8.313 -3.265 1.00 0.00 C ATOM 147 CD GLU A 17 -15.415 -8.008 -2.767 1.00 0.00 C ATOM 148 OE1 GLU A 17 -15.760 -8.085 -1.593 1.00 0.00 O ATOM 149 OE2 GLU A 17 -16.250 -7.634 -3.774 1.00 0.00 O ATOM 0 H GLU A 17 -11.365 -8.318 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.645 -7.866 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.033 -6.692 -2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.515 -6.302 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.066 -8.702 -4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.574 -9.099 -2.647 1.00 0.00 H new ATOM 150 N LYS A 18 -10.403 -5.189 -3.048 1.00 0.00 N ATOM 151 CA LYS A 18 -9.670 -3.923 -3.325 1.00 0.00 C ATOM 152 C LYS A 18 -8.331 -4.064 -4.116 1.00 0.00 C ATOM 153 O LYS A 18 -8.181 -3.428 -5.154 1.00 0.00 O ATOM 154 CB LYS A 18 -9.600 -3.072 -2.050 1.00 0.00 C ATOM 155 CG LYS A 18 -10.896 -2.452 -1.465 1.00 0.00 C ATOM 156 CD LYS A 18 -10.696 -1.639 -0.158 1.00 0.00 C ATOM 157 CE LYS A 18 -9.959 -2.348 0.991 1.00 0.00 C ATOM 158 NZ LYS A 18 -9.879 -1.469 2.171 1.00 0.00 N ATOM 0 H LYS A 18 -10.484 -5.411 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.259 -3.370 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.155 -3.690 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.906 -2.254 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.342 -1.801 -2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.610 -3.253 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.148 -0.729 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.677 -1.332 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.479 -3.270 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.956 -2.628 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.379 -1.962 2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.363 -0.601 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.839 -1.223 2.486 1.00 0.00 H new ATOM 159 N LEU A 19 -7.396 -4.913 -3.687 1.00 0.00 N ATOM 160 CA LEU A 19 -6.152 -5.247 -4.420 1.00 0.00 C ATOM 161 C LEU A 19 -6.399 -6.063 -5.731 1.00 0.00 C ATOM 162 O LEU A 19 -5.681 -5.820 -6.703 1.00 0.00 O ATOM 163 CB LEU A 19 -5.227 -5.857 -3.328 1.00 0.00 C ATOM 164 CG LEU A 19 -3.688 -5.798 -3.425 1.00 0.00 C ATOM 165 CD1 LEU A 19 -2.998 -4.424 -3.489 1.00 0.00 C ATOM 166 CD2 LEU A 19 -3.199 -6.530 -2.158 1.00 0.00 C ATOM 0 H LEU A 19 -7.476 -5.406 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.650 -4.389 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.500 -5.382 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.495 -6.910 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.423 -6.233 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.919 -4.562 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.348 -3.881 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.237 -3.854 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.109 -6.538 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.572 -6.015 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.569 -7.555 -2.164 1.00 0.00 H new ATOM 167 N LYS A 20 -7.392 -6.992 -5.810 1.00 0.00 N ATOM 168 CA LYS A 20 -7.666 -7.755 -7.041 1.00 0.00 C ATOM 169 C LYS A 20 -8.646 -7.040 -8.041 1.00 0.00 C ATOM 170 O LYS A 20 -8.608 -7.348 -9.229 1.00 0.00 O ATOM 171 CB LYS A 20 -8.185 -9.152 -6.680 1.00 0.00 C ATOM 172 CG LYS A 20 -7.996 -10.268 -7.715 1.00 0.00 C ATOM 173 CD LYS A 20 -8.613 -11.645 -7.354 1.00 0.00 C ATOM 174 CE LYS A 20 -9.709 -11.670 -6.271 1.00 0.00 C ATOM 175 NZ LYS A 20 -10.238 -13.036 -6.100 1.00 0.00 N ATOM 0 H LYS A 20 -8.010 -7.223 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.717 -7.830 -7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.697 -9.464 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.250 -9.070 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.426 -9.936 -8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.927 -10.404 -7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.029 -12.076 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.805 -12.302 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.302 -11.311 -5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.517 -10.993 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.975 -13.033 -5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.645 -13.366 -6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.468 -13.673 -5.814 1.00 0.00 H new ATOM 176 N PHE A 21 -9.529 -6.113 -7.607 1.00 0.00 N ATOM 177 CA PHE A 21 -10.086 -5.037 -8.471 1.00 0.00 C ATOM 178 C PHE A 21 -9.000 -4.071 -8.912 1.00 0.00 C ATOM 179 O PHE A 21 -8.686 -4.171 -10.074 1.00 0.00 O ATOM 180 CB PHE A 21 -11.247 -4.236 -7.835 1.00 0.00 C ATOM 181 CG PHE A 21 -12.571 -4.958 -7.690 1.00 0.00 C ATOM 182 CD1 PHE A 21 -13.030 -5.911 -8.603 1.00 0.00 C ATOM 183 CD2 PHE A 21 -13.337 -4.643 -6.574 1.00 0.00 C ATOM 184 CE1 PHE A 21 -14.206 -6.596 -8.352 1.00 0.00 C ATOM 185 CE2 PHE A 21 -14.519 -5.316 -6.327 1.00 0.00 C ATOM 186 CZ PHE A 21 -14.960 -6.306 -7.210 1.00 0.00 C ATOM 0 H PHE A 21 -9.878 -6.086 -6.649 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.501 -5.564 -9.330 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.930 -3.904 -6.846 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.411 -3.341 -8.434 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.468 -6.113 -9.503 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.007 -3.869 -5.897 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.543 -7.357 -9.040 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.103 -5.077 -5.450 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.876 -6.843 -7.012 1.00 0.00 H new ATOM 187 N ARG A 22 -8.355 -3.217 -8.114 1.00 0.00 N ATOM 188 CA ARG A 22 -7.092 -2.518 -8.521 1.00 0.00 C ATOM 189 C ARG A 22 -6.215 -3.253 -9.626 1.00 0.00 C ATOM 190 O ARG A 22 -6.069 -2.737 -10.730 1.00 0.00 O ATOM 191 CB ARG A 22 -6.428 -2.088 -7.200 1.00 0.00 C ATOM 192 CG ARG A 22 -5.428 -0.928 -7.384 1.00 0.00 C ATOM 193 CD ARG A 22 -5.029 -0.351 -6.034 1.00 0.00 C ATOM 194 NE ARG A 22 -4.297 0.916 -6.262 1.00 0.00 N ATOM 195 CZ ARG A 22 -4.313 1.972 -5.452 1.00 0.00 C ATOM 196 NH1 ARG A 22 -4.877 1.991 -4.282 1.00 0.00 N ATOM 197 NH2 ARG A 22 -3.747 3.050 -5.860 1.00 0.00 N ATOM 0 H ARG A 22 -8.673 -2.979 -7.174 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.285 -1.627 -9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.200 -1.787 -6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.910 -2.942 -6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.542 -1.283 -7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.875 -0.149 -8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.913 -0.173 -5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.402 -1.058 -5.490 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.734 0.985 -7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.348 1.158 -3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.849 2.839 -3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.304 3.077 -6.779 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.740 3.879 -5.266 1.00 0.00 H new ATOM 198 N ALA A 23 -5.941 -4.565 -9.463 1.00 0.00 N ATOM 199 CA ALA A 23 -5.579 -5.466 -10.585 1.00 0.00 C ATOM 200 C ALA A 23 -6.612 -5.595 -11.786 1.00 0.00 C ATOM 201 O ALA A 23 -6.391 -4.993 -12.836 1.00 0.00 O ATOM 202 CB ALA A 23 -5.137 -6.774 -9.880 1.00 0.00 C ATOM 0 H ALA A 23 -5.963 -5.030 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.774 -5.046 -11.187 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.847 -7.511 -10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.289 -6.567 -9.227 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.964 -7.165 -9.287 1.00 0.00 H new ATOM 203 N GLU A 24 -7.725 -6.334 -11.655 1.00 0.00 N ATOM 204 CA GLU A 24 -8.785 -6.491 -12.714 1.00 0.00 C ATOM 205 C GLU A 24 -9.544 -5.201 -13.218 1.00 0.00 C ATOM 206 O GLU A 24 -9.679 -4.989 -14.423 1.00 0.00 O ATOM 207 CB GLU A 24 -9.824 -7.539 -12.213 1.00 0.00 C ATOM 208 CG GLU A 24 -9.312 -8.976 -11.918 1.00 0.00 C ATOM 209 CD GLU A 24 -10.306 -9.829 -11.136 1.00 0.00 C ATOM 210 OE1 GLU A 24 -10.525 -9.332 -9.884 1.00 0.00 O ATOM 211 OE2 GLU A 24 -10.833 -10.842 -11.582 1.00 0.00 O ATOM 0 H GLU A 24 -7.935 -6.855 -10.804 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.229 -6.803 -13.598 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.280 -7.151 -11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.615 -7.611 -12.959 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.083 -9.472 -12.861 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.380 -8.913 -11.357 1.00 0.00 H new ATOM 229 N ARG A 28 -3.858 -4.842 -14.266 1.00 0.00 N ATOM 230 CA ARG A 28 -2.689 -5.536 -13.657 1.00 0.00 C ATOM 231 C ARG A 28 -3.218 -6.914 -13.117 1.00 0.00 C ATOM 232 O ARG A 28 -4.422 -7.159 -12.990 1.00 0.00 O ATOM 233 CB ARG A 28 -2.078 -4.525 -12.648 1.00 0.00 C ATOM 234 CG ARG A 28 -1.171 -3.423 -13.266 1.00 0.00 C ATOM 235 CD ARG A 28 -0.786 -2.258 -12.318 1.00 0.00 C ATOM 236 NE ARG A 28 -1.785 -1.173 -12.298 1.00 0.00 N ATOM 237 CZ ARG A 28 -1.834 -0.151 -13.161 1.00 0.00 C ATOM 238 NH1 ARG A 28 -1.051 -0.019 -14.190 1.00 0.00 N ATOM 239 NH2 ARG A 28 -2.709 0.770 -12.966 1.00 0.00 N ATOM 0 HA ARG A 28 -1.866 -5.807 -14.318 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.892 -4.040 -12.109 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.495 -5.080 -11.913 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.255 -3.892 -13.626 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.679 -3.006 -14.136 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.660 -2.646 -11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.177 -1.851 -12.625 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.496 -1.204 -11.567 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.339 -0.724 -14.383 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.148 0.789 -14.805 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.343 0.710 -12.170 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.769 1.561 -13.608 1.00 0.00 H new ATOM 240 N SER A 29 -2.340 -7.879 -12.838 1.00 0.00 N ATOM 241 CA SER A 29 -2.782 -9.245 -12.393 1.00 0.00 C ATOM 242 C SER A 29 -2.095 -9.458 -11.037 1.00 0.00 C ATOM 243 O SER A 29 -0.877 -9.407 -11.037 1.00 0.00 O ATOM 244 CB SER A 29 -2.382 -10.296 -13.456 1.00 0.00 C ATOM 245 OG SER A 29 -3.218 -10.179 -14.609 1.00 0.00 O ATOM 0 H SER A 29 -1.329 -7.765 -12.904 1.00 0.00 H new ATOM 0 HA SER A 29 -3.862 -9.343 -12.285 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.339 -10.157 -13.739 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.468 -11.298 -13.036 1.00 0.00 H new ATOM 0 HG SER A 29 -2.953 -10.848 -15.274 1.00 0.00 H new ATOM 246 N MET A 30 -2.766 -9.544 -9.874 1.00 0.00 N ATOM 247 CA MET A 30 -2.209 -8.965 -8.606 1.00 0.00 C ATOM 248 C MET A 30 -0.717 -9.195 -8.253 1.00 0.00 C ATOM 249 O MET A 30 -0.086 -8.237 -7.855 1.00 0.00 O ATOM 250 CB MET A 30 -2.948 -9.402 -7.346 1.00 0.00 C ATOM 251 CG MET A 30 -4.371 -8.974 -7.157 1.00 0.00 C ATOM 252 SD MET A 30 -5.067 -10.087 -5.936 1.00 0.00 S ATOM 253 CE MET A 30 -4.907 -8.978 -4.552 1.00 0.00 C ATOM 0 H MET A 30 -3.675 -9.995 -9.770 1.00 0.00 H new ATOM 0 HA MET A 30 -2.345 -7.917 -8.873 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.924 -10.491 -7.311 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.379 -9.043 -6.489 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.425 -7.940 -6.817 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.923 -9.030 -8.095 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.904 -9.551 -3.625 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.973 -8.422 -4.637 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.745 -8.281 -4.545 1.00 0.00 H new ATOM 254 N ASN A 31 -0.064 -10.347 -8.419 1.00 0.00 N ATOM 255 CA ASN A 31 1.430 -10.366 -8.360 1.00 0.00 C ATOM 256 C ASN A 31 2.155 -9.244 -9.231 1.00 0.00 C ATOM 257 O ASN A 31 2.997 -8.536 -8.695 1.00 0.00 O ATOM 258 CB ASN A 31 1.971 -11.804 -8.555 1.00 0.00 C ATOM 259 CG ASN A 31 3.110 -12.191 -7.613 1.00 0.00 C ATOM 260 OD1 ASN A 31 3.008 -13.143 -6.856 1.00 0.00 O ATOM 261 ND2 ASN A 31 4.180 -11.444 -7.550 1.00 0.00 N ATOM 0 H ASN A 31 -0.506 -11.250 -8.589 1.00 0.00 H new ATOM 0 HA ASN A 31 1.707 -10.065 -7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.150 -12.508 -8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.316 -11.911 -9.583 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.914 -11.660 -6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.281 -10.645 -8.175 1.00 0.00 H new ATOM 262 N SER A 32 1.685 -8.968 -10.462 1.00 0.00 N ATOM 263 CA SER A 32 1.700 -7.603 -11.091 1.00 0.00 C ATOM 264 C SER A 32 1.034 -6.375 -10.363 1.00 0.00 C ATOM 265 O SER A 32 1.782 -5.437 -10.091 1.00 0.00 O ATOM 266 CB SER A 32 1.328 -7.717 -12.588 1.00 0.00 C ATOM 267 OG SER A 32 2.275 -8.516 -13.297 1.00 0.00 O ATOM 0 H SER A 32 1.277 -9.682 -11.066 1.00 0.00 H new ATOM 0 HA SER A 32 2.736 -7.292 -10.957 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.334 -8.154 -12.686 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.284 -6.722 -13.031 1.00 0.00 H new ATOM 0 HG SER A 32 2.014 -8.573 -14.240 1.00 0.00 H new ATOM 268 N GLU A 33 -0.281 -6.278 -10.041 1.00 0.00 N ATOM 269 CA GLU A 33 -0.814 -5.053 -9.309 1.00 0.00 C ATOM 270 C GLU A 33 -0.238 -4.813 -7.894 1.00 0.00 C ATOM 271 O GLU A 33 0.274 -3.736 -7.609 1.00 0.00 O ATOM 272 CB GLU A 33 -2.334 -5.008 -9.066 1.00 0.00 C ATOM 273 CG GLU A 33 -2.861 -3.642 -8.500 1.00 0.00 C ATOM 274 CD GLU A 33 -2.539 -2.392 -9.290 1.00 0.00 C ATOM 275 OE1 GLU A 33 -3.312 -2.288 -10.391 1.00 0.00 O ATOM 276 OE2 GLU A 33 -1.640 -1.611 -8.999 1.00 0.00 O ATOM 0 H GLU A 33 -0.981 -6.988 -10.256 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.492 -4.300 -10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.846 -5.220 -10.005 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.602 -5.803 -8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.945 -3.712 -8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.461 -3.517 -7.494 1.00 0.00 H new ATOM 277 N LEU A 34 -0.452 -5.792 -6.989 1.00 0.00 N ATOM 278 CA LEU A 34 0.162 -5.872 -5.662 1.00 0.00 C ATOM 279 C LEU A 34 1.647 -5.461 -5.791 1.00 0.00 C ATOM 280 O LEU A 34 1.970 -4.457 -5.181 1.00 0.00 O ATOM 281 CB LEU A 34 -0.063 -7.304 -5.103 1.00 0.00 C ATOM 282 CG LEU A 34 -0.419 -7.519 -3.617 1.00 0.00 C ATOM 283 CD1 LEU A 34 -0.093 -8.926 -3.116 1.00 0.00 C ATOM 284 CD2 LEU A 34 0.182 -6.566 -2.559 1.00 0.00 C ATOM 0 H LEU A 34 -1.081 -6.573 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.290 -5.187 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.859 -7.758 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.845 -7.873 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.487 -7.308 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.367 -9.011 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.653 -9.658 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.975 -9.114 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.168 -6.855 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.270 -6.626 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.131 -5.544 -2.770 1.00 0.00 H new ATOM 285 N LEU A 35 2.518 -6.067 -6.658 1.00 0.00 N ATOM 286 CA LEU A 35 3.906 -5.560 -6.774 1.00 0.00 C ATOM 287 C LEU A 35 4.012 -4.117 -7.261 1.00 0.00 C ATOM 288 O LEU A 35 4.658 -3.330 -6.596 1.00 0.00 O ATOM 289 CB LEU A 35 4.868 -6.410 -7.629 1.00 0.00 C ATOM 290 CG LEU A 35 5.487 -7.640 -6.955 1.00 0.00 C ATOM 291 CD1 LEU A 35 6.495 -8.227 -7.934 1.00 0.00 C ATOM 292 CD2 LEU A 35 6.207 -7.251 -5.649 1.00 0.00 C ATOM 0 H LEU A 35 2.292 -6.864 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 35 4.224 -5.628 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.330 -6.743 -8.516 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.678 -5.766 -7.971 1.00 0.00 H new ATOM 0 HG LEU A 35 4.708 -8.359 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.961 -9.108 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.985 -8.509 -8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.261 -7.484 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.637 -8.142 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.001 -6.537 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.493 -6.798 -4.961 1.00 0.00 H new ATOM 293 N GLN A 36 3.370 -3.760 -8.360 1.00 0.00 N ATOM 294 CA GLN A 36 3.349 -2.367 -8.839 1.00 0.00 C ATOM 295 C GLN A 36 2.854 -1.300 -7.803 1.00 0.00 C ATOM 296 O GLN A 36 3.513 -0.269 -7.713 1.00 0.00 O ATOM 297 CB GLN A 36 2.633 -2.420 -10.215 1.00 0.00 C ATOM 298 CG GLN A 36 2.795 -1.166 -11.107 1.00 0.00 C ATOM 299 CD GLN A 36 1.721 -0.077 -11.053 1.00 0.00 C ATOM 300 OE1 GLN A 36 1.202 0.288 -9.914 1.00 0.00 O flip ATOM 301 NE2 GLN A 36 1.330 0.477 -12.071 1.00 0.00 N flip ATOM 0 H GLN A 36 2.850 -4.411 -8.948 1.00 0.00 H new ATOM 0 HA GLN A 36 4.356 -1.972 -8.970 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.006 -3.284 -10.765 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.569 -2.586 -10.044 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.748 -0.702 -10.853 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.870 -1.504 -12.141 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.718 0.213 -12.977 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.616 1.203 -12.014 1.00 0.00 H new ATOM 302 N ILE A 37 1.790 -1.514 -6.999 1.00 0.00 N ATOM 303 CA ILE A 37 1.496 -0.639 -5.819 1.00 0.00 C ATOM 304 C ILE A 37 2.437 -0.797 -4.575 1.00 0.00 C ATOM 305 O ILE A 37 2.456 0.094 -3.752 1.00 0.00 O ATOM 306 CB ILE A 37 -0.013 -0.754 -5.386 1.00 0.00 C ATOM 307 CG1 ILE A 37 -0.605 0.517 -4.708 1.00 0.00 C ATOM 308 CG2 ILE A 37 -0.215 -1.930 -4.393 1.00 0.00 C ATOM 309 CD1 ILE A 37 -0.581 1.800 -5.555 1.00 0.00 C ATOM 0 H ILE A 37 1.122 -2.273 -7.134 1.00 0.00 H new ATOM 0 HA ILE A 37 1.710 0.363 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.541 -0.909 -6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.637 0.309 -4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.055 0.703 -3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.265 -1.989 -4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.085 -2.864 -4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.393 -1.764 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.017 2.620 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.449 2.045 -5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.158 1.645 -6.467 1.00 0.00 H new ATOM 310 N VAL A 38 3.022 -1.964 -4.320 1.00 0.00 N ATOM 311 CA VAL A 38 3.908 -2.282 -3.165 1.00 0.00 C ATOM 312 C VAL A 38 5.368 -1.743 -3.438 1.00 0.00 C ATOM 313 O VAL A 38 5.952 -1.052 -2.613 1.00 0.00 O ATOM 314 CB VAL A 38 3.914 -3.827 -3.020 1.00 0.00 C ATOM 315 CG1 VAL A 38 5.037 -4.539 -2.265 1.00 0.00 C ATOM 316 CG2 VAL A 38 2.601 -4.378 -2.454 1.00 0.00 C ATOM 0 H VAL A 38 2.895 -2.767 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 38 3.551 -1.810 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 38 4.086 -4.060 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.858 -5.614 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.992 -4.325 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.063 -4.186 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.666 -5.463 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.424 -3.953 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.778 -4.110 -3.117 1.00 0.00 H new ATOM 317 N GLN A 39 5.951 -2.056 -4.619 1.00 0.00 N ATOM 318 CA GLN A 39 7.007 -1.248 -5.286 1.00 0.00 C ATOM 319 C GLN A 39 6.694 0.274 -5.376 1.00 0.00 C ATOM 320 O GLN A 39 7.572 1.057 -5.031 1.00 0.00 O ATOM 321 CB GLN A 39 7.224 -1.824 -6.720 1.00 0.00 C ATOM 322 CG GLN A 39 7.884 -3.234 -6.773 1.00 0.00 C ATOM 323 CD GLN A 39 8.021 -3.983 -8.103 1.00 0.00 C ATOM 324 OE1 GLN A 39 8.479 -5.118 -8.138 1.00 0.00 O ATOM 325 NE2 GLN A 39 7.645 -3.435 -9.230 1.00 0.00 N ATOM 0 H GLN A 39 5.698 -2.891 -5.147 1.00 0.00 H new ATOM 0 HA GLN A 39 7.904 -1.324 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.259 -1.872 -7.225 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.845 -1.128 -7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.886 -3.135 -6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.320 -3.878 -6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.259 -2.491 -9.234 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.737 -3.952 -10.104 1.00 0.00 H new ATOM 326 N ASP A 40 5.446 0.700 -5.680 1.00 0.00 N ATOM 327 CA ASP A 40 4.959 2.037 -5.235 1.00 0.00 C ATOM 328 C ASP A 40 5.167 2.317 -3.725 1.00 0.00 C ATOM 329 O ASP A 40 5.941 3.200 -3.354 1.00 0.00 O ATOM 330 CB ASP A 40 3.561 2.476 -5.720 1.00 0.00 C ATOM 331 CG ASP A 40 3.400 2.623 -7.217 1.00 0.00 C ATOM 332 OD1 ASP A 40 4.317 2.915 -7.975 1.00 0.00 O ATOM 333 OD2 ASP A 40 2.120 2.406 -7.618 1.00 0.00 O ATOM 0 H ASP A 40 4.769 0.158 -6.217 1.00 0.00 H new ATOM 0 HA ASP A 40 5.635 2.693 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.829 1.751 -5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.318 3.430 -5.252 1.00 0.00 H new ATOM 334 N ALA A 41 4.521 1.513 -2.881 1.00 0.00 N ATOM 335 CA ALA A 41 4.437 1.719 -1.421 1.00 0.00 C ATOM 336 C ALA A 41 5.752 1.924 -0.604 1.00 0.00 C ATOM 337 O ALA A 41 5.812 2.699 0.354 1.00 0.00 O ATOM 338 CB ALA A 41 3.454 0.634 -0.943 1.00 0.00 C ATOM 0 H ALA A 41 4.027 0.677 -3.194 1.00 0.00 H new ATOM 0 HA ALA A 41 4.070 2.722 -1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.327 0.708 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.490 0.775 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.848 -0.351 -1.195 1.00 0.00 H new ATOM 566 N PRO B 5 -8.826 -15.339 1.217 1.00 0.00 N ATOM 567 CA PRO B 5 -8.214 -16.383 0.364 1.00 0.00 C ATOM 568 C PRO B 5 -6.752 -16.056 -0.046 1.00 0.00 C ATOM 569 O PRO B 5 -6.286 -14.909 -0.017 1.00 0.00 O ATOM 570 CB PRO B 5 -9.223 -16.461 -0.809 1.00 0.00 C ATOM 571 CG PRO B 5 -10.367 -15.511 -0.438 1.00 0.00 C ATOM 572 CD PRO B 5 -9.695 -14.458 0.414 1.00 0.00 C ATOM 0 HA PRO B 5 -8.077 -17.345 0.859 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -8.756 -16.163 -1.748 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -9.588 -17.479 -0.944 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -10.829 -15.075 -1.324 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -11.155 -16.027 0.111 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -9.133 -13.734 -0.176 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -10.401 -13.894 1.023 1.00 0.00 H new ATOM 573 N HIS B 6 -6.061 -17.122 -0.445 1.00 0.00 N ATOM 574 CA HIS B 6 -4.639 -17.084 -0.849 1.00 0.00 C ATOM 575 C HIS B 6 -4.422 -16.497 -2.278 1.00 0.00 C ATOM 576 O HIS B 6 -5.066 -16.899 -3.253 1.00 0.00 O ATOM 577 CB HIS B 6 -4.119 -18.552 -0.803 1.00 0.00 C ATOM 578 CG HIS B 6 -3.963 -19.170 0.585 1.00 0.00 C ATOM 579 ND1 HIS B 6 -5.005 -19.718 1.321 1.00 0.00 N ATOM 580 CD2 HIS B 6 -2.759 -19.254 1.290 1.00 0.00 C ATOM 581 CE1 HIS B 6 -4.310 -20.090 2.443 1.00 0.00 C ATOM 582 NE2 HIS B 6 -2.962 -19.856 2.519 1.00 0.00 N ATOM 0 H HIS B 6 -6.471 -18.055 -0.501 1.00 0.00 H new ATOM 0 HA HIS B 6 -4.097 -16.428 -0.169 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -4.802 -19.175 -1.381 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -3.152 -18.589 -1.305 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -1.806 -18.899 0.927 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -4.824 -20.566 3.265 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -2.300 -20.065 3.266 1.00 0.00 H new ATOM 583 N PHE B 7 -3.363 -15.708 -2.462 1.00 0.00 N ATOM 584 CA PHE B 7 -2.302 -16.134 -3.408 1.00 0.00 C ATOM 585 C PHE B 7 -0.927 -16.237 -2.670 1.00 0.00 C ATOM 586 O PHE B 7 -0.742 -15.795 -1.529 1.00 0.00 O ATOM 587 CB PHE B 7 -2.384 -15.302 -4.720 1.00 0.00 C ATOM 588 CG PHE B 7 -1.900 -13.843 -4.735 1.00 0.00 C ATOM 589 CD1 PHE B 7 -2.729 -12.792 -4.311 1.00 0.00 C ATOM 590 CD2 PHE B 7 -0.666 -13.536 -5.324 1.00 0.00 C ATOM 591 CE1 PHE B 7 -2.346 -11.474 -4.517 1.00 0.00 C ATOM 592 CE2 PHE B 7 -0.290 -12.218 -5.508 1.00 0.00 C ATOM 593 CZ PHE B 7 -1.144 -11.197 -5.154 1.00 0.00 C ATOM 0 H PHE B 7 -3.209 -14.812 -2.000 1.00 0.00 H new ATOM 0 HA PHE B 7 -2.452 -17.152 -3.766 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -1.818 -15.839 -5.481 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -3.426 -15.301 -5.039 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -3.668 -13.010 -3.823 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -0.006 -14.332 -5.636 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.981 -10.667 -4.183 1.00 0.00 H new ATOM 0 HE2 PHE B 7 0.677 -11.988 -5.931 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.877 -10.174 -5.373 1.00 0.00 H new ATOM 594 N ASN B 8 0.075 -16.848 -3.309 1.00 0.00 N ATOM 595 CA ASN B 8 1.480 -16.691 -2.851 1.00 0.00 C ATOM 596 C ASN B 8 2.047 -15.381 -3.473 1.00 0.00 C ATOM 597 O ASN B 8 2.570 -15.407 -4.592 1.00 0.00 O ATOM 598 CB ASN B 8 2.312 -17.952 -3.209 1.00 0.00 C ATOM 599 CG ASN B 8 2.016 -19.172 -2.340 1.00 0.00 C ATOM 600 OD1 ASN B 8 1.184 -20.010 -2.657 1.00 0.00 O ATOM 601 ND2 ASN B 8 2.663 -19.300 -1.211 1.00 0.00 N ATOM 0 H ASN B 8 -0.044 -17.445 -4.127 1.00 0.00 H new ATOM 0 HA ASN B 8 1.533 -16.603 -1.766 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.127 -18.210 -4.252 1.00 0.00 H new ATOM 0 HB3 ASN B 8 3.371 -17.709 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN B 8 2.472 -20.095 -0.601 1.00 0.00 H new ATOM 0 HD22 ASN B 8 3.358 -18.605 -0.940 1.00 0.00 H new ATOM 602 N PHE B 9 1.981 -14.237 -2.752 1.00 0.00 N ATOM 603 CA PHE B 9 2.876 -13.107 -3.057 1.00 0.00 C ATOM 604 C PHE B 9 4.351 -13.458 -2.703 1.00 0.00 C ATOM 605 O PHE B 9 4.713 -14.522 -2.217 1.00 0.00 O ATOM 606 CB PHE B 9 2.279 -11.816 -2.440 1.00 0.00 C ATOM 607 CG PHE B 9 2.793 -10.502 -3.054 1.00 0.00 C ATOM 608 CD1 PHE B 9 2.815 -10.306 -4.446 1.00 0.00 C ATOM 609 CD2 PHE B 9 2.988 -9.390 -2.226 1.00 0.00 C ATOM 610 CE1 PHE B 9 3.010 -9.044 -4.976 1.00 0.00 C ATOM 611 CE2 PHE B 9 3.284 -8.149 -2.761 1.00 0.00 C ATOM 612 CZ PHE B 9 3.188 -7.970 -4.122 1.00 0.00 C ATOM 0 H PHE B 9 1.336 -14.078 -1.978 1.00 0.00 H new ATOM 0 HA PHE B 9 2.934 -12.902 -4.126 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.195 -11.849 -2.546 1.00 0.00 H new ATOM 0 HB3 PHE B 9 2.495 -11.809 -1.372 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.678 -11.149 -5.107 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.906 -9.503 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE B 9 3.023 -8.898 -6.046 1.00 0.00 H new ATOM 0 HE2 PHE B 9 3.586 -7.333 -2.120 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.253 -6.973 -4.531 1.00 0.00 H new ATOM 613 N ARG B 10 5.223 -12.664 -3.267 1.00 0.00 N ATOM 614 CA ARG B 10 6.358 -13.163 -4.087 1.00 0.00 C ATOM 615 C ARG B 10 7.100 -11.915 -4.627 1.00 0.00 C ATOM 616 O ARG B 10 6.688 -11.274 -5.601 1.00 0.00 O ATOM 617 CB ARG B 10 5.927 -14.220 -5.141 1.00 0.00 C ATOM 618 CG ARG B 10 6.916 -14.574 -6.260 1.00 0.00 C ATOM 619 CD ARG B 10 8.405 -14.777 -5.905 1.00 0.00 C ATOM 620 NE ARG B 10 9.192 -15.037 -7.144 1.00 0.00 N ATOM 621 CZ ARG B 10 9.551 -14.127 -8.047 1.00 0.00 C ATOM 622 NH1 ARG B 10 9.282 -12.858 -7.959 1.00 0.00 N ATOM 623 NH2 ARG B 10 10.207 -14.538 -9.072 1.00 0.00 N ATOM 0 H ARG B 10 5.189 -11.648 -3.186 1.00 0.00 H new ATOM 0 HA ARG B 10 7.063 -13.742 -3.490 1.00 0.00 H new ATOM 0 HB2 ARG B 10 5.683 -15.140 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG B 10 5.007 -13.868 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG B 10 6.563 -15.490 -6.734 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.861 -13.785 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG B 10 8.791 -13.893 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG B 10 8.512 -15.613 -5.214 1.00 0.00 H new ATOM 0 HE ARG B 10 9.482 -16.000 -7.316 1.00 0.00 H new ATOM 0 HH11 ARG B 10 8.762 -12.501 -7.157 1.00 0.00 H new ATOM 0 HH12 ARG B 10 9.591 -12.219 -8.692 1.00 0.00 H new ATOM 0 HH21 ARG B 10 10.433 -15.528 -9.170 1.00 0.00 H new ATOM 0 HH22 ARG B 10 10.502 -13.875 -9.788 1.00 0.00 H new ATOM 624 N MET B 11 8.179 -11.563 -3.928 1.00 0.00 N ATOM 625 CA MET B 11 8.775 -10.210 -4.022 1.00 0.00 C ATOM 626 C MET B 11 10.274 -10.291 -4.458 1.00 0.00 C ATOM 627 O MET B 11 11.057 -10.836 -3.676 1.00 0.00 O ATOM 628 CB MET B 11 8.638 -9.549 -2.621 1.00 0.00 C ATOM 629 CG MET B 11 7.347 -8.789 -2.275 1.00 0.00 C ATOM 630 SD MET B 11 5.968 -9.926 -2.330 1.00 0.00 S ATOM 631 CE MET B 11 5.488 -10.058 -0.603 1.00 0.00 C ATOM 0 H MET B 11 8.666 -12.189 -3.287 1.00 0.00 H new ATOM 0 HA MET B 11 8.259 -9.616 -4.776 1.00 0.00 H new ATOM 0 HB2 MET B 11 8.768 -10.332 -1.874 1.00 0.00 H new ATOM 0 HB3 MET B 11 9.470 -8.854 -2.503 1.00 0.00 H new ATOM 0 HG2 MET B 11 7.427 -8.343 -1.284 1.00 0.00 H new ATOM 0 HG3 MET B 11 7.190 -7.973 -2.980 1.00 0.00 H new ATOM 0 HE1 MET B 11 4.805 -10.899 -0.478 1.00 0.00 H new ATOM 0 HE2 MET B 11 6.375 -10.217 0.010 1.00 0.00 H new ATOM 0 HE3 MET B 11 4.992 -9.139 -0.292 1.00 0.00 H new ATOM 632 N PRO B 12 10.769 -9.700 -5.589 1.00 0.00 N ATOM 633 CA PRO B 12 12.225 -9.408 -5.773 1.00 0.00 C ATOM 634 C PRO B 12 12.958 -8.765 -4.547 1.00 0.00 C ATOM 635 O PRO B 12 12.325 -8.089 -3.725 1.00 0.00 O ATOM 636 CB PRO B 12 12.213 -8.505 -7.023 1.00 0.00 C ATOM 637 CG PRO B 12 10.936 -8.881 -7.778 1.00 0.00 C ATOM 638 CD PRO B 12 9.923 -9.182 -6.676 1.00 0.00 C ATOM 0 HA PRO B 12 12.810 -10.321 -5.881 1.00 0.00 H new ATOM 0 HB2 PRO B 12 12.211 -7.451 -6.747 1.00 0.00 H new ATOM 0 HB3 PRO B 12 13.097 -8.672 -7.638 1.00 0.00 H new ATOM 0 HG2 PRO B 12 10.598 -8.066 -8.418 1.00 0.00 H new ATOM 0 HG3 PRO B 12 11.094 -9.747 -8.421 1.00 0.00 H new ATOM 0 HD2 PRO B 12 9.377 -8.288 -6.373 1.00 0.00 H new ATOM 0 HD3 PRO B 12 9.182 -9.915 -6.996 1.00 0.00 H new ATOM 639 N MET B 13 14.265 -9.033 -4.380 1.00 0.00 N ATOM 640 CA MET B 13 14.929 -8.905 -3.043 1.00 0.00 C ATOM 641 C MET B 13 14.790 -7.536 -2.299 1.00 0.00 C ATOM 642 O MET B 13 14.495 -7.532 -1.104 1.00 0.00 O ATOM 643 CB MET B 13 16.411 -9.356 -3.122 1.00 0.00 C ATOM 644 CG MET B 13 17.080 -9.723 -1.771 1.00 0.00 C ATOM 645 SD MET B 13 16.999 -11.487 -1.368 1.00 0.00 S ATOM 646 CE MET B 13 15.291 -11.726 -0.850 1.00 0.00 C ATOM 0 H MET B 13 14.885 -9.335 -5.131 1.00 0.00 H new ATOM 0 HA MET B 13 14.355 -9.581 -2.409 1.00 0.00 H new ATOM 0 HB2 MET B 13 16.473 -10.221 -3.783 1.00 0.00 H new ATOM 0 HB3 MET B 13 16.989 -8.558 -3.587 1.00 0.00 H new ATOM 0 HG2 MET B 13 18.125 -9.414 -1.798 1.00 0.00 H new ATOM 0 HG3 MET B 13 16.601 -9.156 -0.973 1.00 0.00 H new ATOM 0 HE1 MET B 13 15.208 -12.657 -0.290 1.00 0.00 H new ATOM 0 HE2 MET B 13 14.983 -10.893 -0.218 1.00 0.00 H new ATOM 0 HE3 MET B 13 14.647 -11.772 -1.729 1.00 0.00 H new ATOM 647 N GLU B 14 14.910 -6.393 -2.997 1.00 0.00 N ATOM 648 CA GLU B 14 14.550 -5.074 -2.414 1.00 0.00 C ATOM 649 C GLU B 14 13.049 -4.868 -2.025 1.00 0.00 C ATOM 650 O GLU B 14 12.817 -4.284 -0.980 1.00 0.00 O ATOM 651 CB GLU B 14 15.145 -3.922 -3.271 1.00 0.00 C ATOM 652 CG GLU B 14 14.374 -3.566 -4.570 1.00 0.00 C ATOM 653 CD GLU B 14 15.007 -2.450 -5.392 1.00 0.00 C ATOM 654 OE1 GLU B 14 15.904 -2.642 -6.206 1.00 0.00 O ATOM 655 OE2 GLU B 14 14.459 -1.230 -5.120 1.00 0.00 O ATOM 0 H GLU B 14 15.250 -6.348 -3.958 1.00 0.00 H new ATOM 0 HA GLU B 14 15.023 -5.054 -1.432 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.202 -3.028 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.167 -4.188 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU B 14 14.299 -4.459 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU B 14 13.357 -3.275 -4.306 1.00 0.00 H new ATOM 656 N VAL B 15 12.028 -5.328 -2.771 1.00 0.00 N ATOM 657 CA VAL B 15 10.600 -5.277 -2.312 1.00 0.00 C ATOM 658 C VAL B 15 10.341 -6.084 -1.022 1.00 0.00 C ATOM 659 O VAL B 15 9.659 -5.577 -0.139 1.00 0.00 O ATOM 660 CB VAL B 15 9.587 -5.789 -3.397 1.00 0.00 C ATOM 661 CG1 VAL B 15 8.249 -5.056 -3.283 1.00 0.00 C ATOM 662 CG2 VAL B 15 10.000 -5.753 -4.884 1.00 0.00 C ATOM 0 H VAL B 15 12.150 -5.741 -3.695 1.00 0.00 H new ATOM 0 HA VAL B 15 10.434 -4.217 -2.119 1.00 0.00 H new ATOM 0 HB VAL B 15 9.538 -6.848 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL B 15 7.564 -5.428 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.822 -5.230 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.406 -3.987 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.187 -6.141 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL B 15 10.217 -4.726 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.889 -6.367 -5.030 1.00 0.00 H new ATOM 663 N ARG B 16 10.832 -7.325 -0.909 1.00 0.00 N ATOM 664 CA ARG B 16 10.704 -8.067 0.354 1.00 0.00 C ATOM 665 C ARG B 16 11.646 -7.607 1.476 1.00 0.00 C ATOM 666 O ARG B 16 11.152 -7.491 2.583 1.00 0.00 O ATOM 667 CB ARG B 16 10.737 -9.594 0.192 1.00 0.00 C ATOM 668 CG ARG B 16 9.615 -10.208 1.067 1.00 0.00 C ATOM 669 CD ARG B 16 9.998 -11.606 1.501 1.00 0.00 C ATOM 670 NE ARG B 16 8.959 -12.130 2.417 1.00 0.00 N ATOM 671 CZ ARG B 16 9.066 -13.253 3.122 1.00 0.00 C ATOM 672 NH1 ARG B 16 10.054 -14.092 3.025 1.00 0.00 N ATOM 673 NH2 ARG B 16 8.139 -13.516 3.971 1.00 0.00 N ATOM 0 H ARG B 16 11.311 -7.828 -1.656 1.00 0.00 H new ATOM 0 HA ARG B 16 9.698 -7.802 0.680 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.593 -9.867 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.709 -9.986 0.493 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.443 -9.582 1.942 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.681 -10.236 0.506 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.096 -12.256 0.632 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.967 -11.593 2.000 1.00 0.00 H new ATOM 0 HE ARG B 16 8.099 -11.591 2.514 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.817 -13.908 2.374 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.066 -14.934 3.600 1.00 0.00 H new ATOM 0 HH21 ARG B 16 7.356 -12.873 4.086 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.186 -14.368 4.530 1.00 0.00 H new ATOM 674 N GLU B 17 12.921 -7.258 1.270 1.00 0.00 N ATOM 675 CA GLU B 17 13.653 -6.488 2.313 1.00 0.00 C ATOM 676 C GLU B 17 13.000 -5.112 2.678 1.00 0.00 C ATOM 677 O GLU B 17 12.952 -4.788 3.854 1.00 0.00 O ATOM 678 CB GLU B 17 15.130 -6.293 1.936 1.00 0.00 C ATOM 679 CG GLU B 17 16.009 -7.569 1.945 1.00 0.00 C ATOM 680 CD GLU B 17 17.489 -7.292 1.710 1.00 0.00 C ATOM 681 OE1 GLU B 17 18.082 -6.755 2.814 1.00 0.00 O ATOM 682 OE2 GLU B 17 18.069 -7.527 0.656 1.00 0.00 O ATOM 0 H GLU B 17 13.459 -7.479 0.432 1.00 0.00 H new ATOM 0 HA GLU B 17 13.587 -7.103 3.211 1.00 0.00 H new ATOM 0 HB2 GLU B 17 15.175 -5.852 0.940 1.00 0.00 H new ATOM 0 HB3 GLU B 17 15.567 -5.570 2.624 1.00 0.00 H new ATOM 0 HG2 GLU B 17 15.890 -8.075 2.903 1.00 0.00 H new ATOM 0 HG3 GLU B 17 15.649 -8.253 1.176 1.00 0.00 H new ATOM 683 N LYS B 18 12.436 -4.333 1.745 1.00 0.00 N ATOM 684 CA LYS B 18 11.631 -3.133 2.079 1.00 0.00 C ATOM 685 C LYS B 18 10.264 -3.422 2.787 1.00 0.00 C ATOM 686 O LYS B 18 10.020 -2.847 3.844 1.00 0.00 O ATOM 687 CB LYS B 18 11.623 -2.163 0.882 1.00 0.00 C ATOM 688 CG LYS B 18 12.960 -1.538 0.396 1.00 0.00 C ATOM 689 CD LYS B 18 12.843 -0.640 -0.863 1.00 0.00 C ATOM 690 CE LYS B 18 12.325 -1.309 -2.144 1.00 0.00 C ATOM 691 NZ LYS B 18 12.267 -0.324 -3.242 1.00 0.00 N ATOM 0 H LYS B 18 12.519 -4.508 0.744 1.00 0.00 H new ATOM 0 HA LYS B 18 12.125 -2.597 2.889 1.00 0.00 H new ATOM 0 HB2 LYS B 18 11.183 -2.691 0.036 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.950 -1.342 1.131 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.384 -0.947 1.208 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.665 -2.342 0.186 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.184 0.195 -0.625 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.826 -0.219 -1.073 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.978 -2.136 -2.421 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.335 -1.729 -1.969 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.326 -0.352 -3.684 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.444 0.628 -2.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.990 -0.554 -3.953 1.00 0.00 H new ATOM 692 N LEU B 19 9.404 -4.321 2.288 1.00 0.00 N ATOM 693 CA LEU B 19 8.139 -4.744 2.956 1.00 0.00 C ATOM 694 C LEU B 19 8.349 -5.565 4.282 1.00 0.00 C ATOM 695 O LEU B 19 7.620 -5.375 5.256 1.00 0.00 O ATOM 696 CB LEU B 19 7.268 -5.309 1.791 1.00 0.00 C ATOM 697 CG LEU B 19 5.724 -5.387 1.919 1.00 0.00 C ATOM 698 CD1 LEU B 19 4.915 -4.082 2.039 1.00 0.00 C ATOM 699 CD2 LEU B 19 5.212 -6.175 0.690 1.00 0.00 C ATOM 0 H LEU B 19 9.559 -4.789 1.395 1.00 0.00 H new ATOM 0 HA LEU B 19 7.572 -3.941 3.427 1.00 0.00 H new ATOM 0 HB2 LEU B 19 7.486 -4.709 0.908 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.624 -6.319 1.586 1.00 0.00 H new ATOM 0 HG LEU B 19 5.555 -5.858 2.888 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.854 -4.318 2.120 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.234 -3.536 2.927 1.00 0.00 H new ATOM 0 HD13 LEU B 19 5.084 -3.467 1.155 1.00 0.00 H new ATOM 0 HD21 LEU B 19 4.126 -6.256 0.736 1.00 0.00 H new ATOM 0 HD22 LEU B 19 5.498 -5.652 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU B 19 5.651 -7.173 0.689 1.00 0.00 H new ATOM 700 N LYS B 20 9.363 -6.449 4.350 1.00 0.00 N ATOM 701 CA LYS B 20 9.682 -7.285 5.518 1.00 0.00 C ATOM 702 C LYS B 20 10.653 -6.605 6.542 1.00 0.00 C ATOM 703 O LYS B 20 10.567 -6.943 7.717 1.00 0.00 O ATOM 704 CB LYS B 20 10.236 -8.645 5.052 1.00 0.00 C ATOM 705 CG LYS B 20 10.346 -9.732 6.137 1.00 0.00 C ATOM 706 CD LYS B 20 10.901 -11.073 5.631 1.00 0.00 C ATOM 707 CE LYS B 20 12.155 -10.987 4.744 1.00 0.00 C ATOM 708 NZ LYS B 20 12.688 -12.339 4.502 1.00 0.00 N ATOM 0 H LYS B 20 10.000 -6.604 3.569 1.00 0.00 H new ATOM 0 HA LYS B 20 8.748 -7.431 6.060 1.00 0.00 H new ATOM 0 HB2 LYS B 20 9.598 -9.021 4.252 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.225 -8.485 4.623 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.987 -9.366 6.939 1.00 0.00 H new ATOM 0 HG3 LYS B 20 9.359 -9.900 6.569 1.00 0.00 H new ATOM 0 HD2 LYS B 20 11.132 -11.698 6.494 1.00 0.00 H new ATOM 0 HD3 LYS B 20 10.116 -11.581 5.070 1.00 0.00 H new ATOM 0 HE2 LYS B 20 11.909 -10.508 3.796 1.00 0.00 H new ATOM 0 HE3 LYS B 20 12.912 -10.369 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 13.684 -12.272 4.209 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 12.621 -12.900 5.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 12.136 -12.800 3.751 1.00 0.00 H new ATOM 709 N PHE B 21 11.550 -5.658 6.173 1.00 0.00 N ATOM 710 CA PHE B 21 12.076 -4.647 7.137 1.00 0.00 C ATOM 711 C PHE B 21 10.944 -3.771 7.652 1.00 0.00 C ATOM 712 O PHE B 21 10.613 -4.025 8.788 1.00 0.00 O ATOM 713 CB PHE B 21 13.233 -3.755 6.624 1.00 0.00 C ATOM 714 CG PHE B 21 14.583 -4.405 6.376 1.00 0.00 C ATOM 715 CD1 PHE B 21 14.993 -5.588 6.995 1.00 0.00 C ATOM 716 CD2 PHE B 21 15.427 -3.770 5.470 1.00 0.00 C ATOM 717 CE1 PHE B 21 16.205 -6.164 6.656 1.00 0.00 C ATOM 718 CE2 PHE B 21 16.642 -4.341 5.132 1.00 0.00 C ATOM 719 CZ PHE B 21 17.042 -5.543 5.725 1.00 0.00 C ATOM 0 H PHE B 21 11.924 -5.569 5.228 1.00 0.00 H new ATOM 0 HA PHE B 21 12.514 -5.242 7.938 1.00 0.00 H new ATOM 0 HB2 PHE B 21 12.909 -3.293 5.691 1.00 0.00 H new ATOM 0 HB3 PHE B 21 13.378 -2.950 7.345 1.00 0.00 H new ATOM 0 HD1 PHE B 21 14.364 -6.054 7.739 1.00 0.00 H new ATOM 0 HD2 PHE B 21 15.133 -2.829 5.029 1.00 0.00 H new ATOM 0 HE1 PHE B 21 16.505 -7.096 7.112 1.00 0.00 H new ATOM 0 HE2 PHE B 21 17.282 -3.857 4.409 1.00 0.00 H new ATOM 0 HZ PHE B 21 17.991 -5.988 5.465 1.00 0.00 H new ATOM 720 N ARG B 22 10.283 -2.852 6.942 1.00 0.00 N ATOM 721 CA ARG B 22 8.981 -2.255 7.389 1.00 0.00 C ATOM 722 C ARG B 22 8.144 -3.077 8.467 1.00 0.00 C ATOM 723 O ARG B 22 8.068 -2.673 9.627 1.00 0.00 O ATOM 724 CB ARG B 22 8.300 -1.835 6.077 1.00 0.00 C ATOM 725 CG ARG B 22 7.248 -0.738 6.286 1.00 0.00 C ATOM 726 CD ARG B 22 6.689 -0.312 4.943 1.00 0.00 C ATOM 727 NE ARG B 22 5.794 0.845 5.162 1.00 0.00 N ATOM 728 CZ ARG B 22 5.235 1.566 4.199 1.00 0.00 C ATOM 729 NH1 ARG B 22 5.318 1.281 2.936 1.00 0.00 N ATOM 730 NH2 ARG B 22 4.583 2.617 4.540 1.00 0.00 N ATOM 0 H ARG B 22 10.615 -2.491 6.048 1.00 0.00 H new ATOM 0 HA ARG B 22 9.118 -1.386 8.033 1.00 0.00 H new ATOM 0 HB2 ARG B 22 9.056 -1.480 5.376 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.827 -2.705 5.622 1.00 0.00 H new ATOM 0 HG2 ARG B 22 6.446 -1.106 6.926 1.00 0.00 H new ATOM 0 HG3 ARG B 22 7.694 0.117 6.794 1.00 0.00 H new ATOM 0 HD2 ARG B 22 7.497 -0.044 4.262 1.00 0.00 H new ATOM 0 HD3 ARG B 22 6.142 -1.134 4.481 1.00 0.00 H new ATOM 0 HE ARG B 22 5.591 1.108 6.126 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.838 0.458 2.632 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.863 1.880 2.247 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.508 2.874 5.524 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.140 3.196 3.827 1.00 0.00 H new ATOM 731 N ALA B 23 7.868 -4.367 8.198 1.00 0.00 N ATOM 732 CA ALA B 23 7.553 -5.384 9.244 1.00 0.00 C ATOM 733 C ALA B 23 8.571 -5.596 10.446 1.00 0.00 C ATOM 734 O ALA B 23 8.300 -5.153 11.563 1.00 0.00 O ATOM 735 CB ALA B 23 7.197 -6.638 8.420 1.00 0.00 C ATOM 0 H ALA B 23 7.855 -4.744 7.250 1.00 0.00 H new ATOM 0 HA ALA B 23 6.735 -5.035 9.875 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.946 -7.457 9.094 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.343 -6.421 7.778 1.00 0.00 H new ATOM 0 HB3 ALA B 23 8.050 -6.923 7.804 1.00 0.00 H new ATOM 736 N GLU B 24 9.711 -6.270 10.229 1.00 0.00 N ATOM 737 CA GLU B 24 10.763 -6.559 11.261 1.00 0.00 C ATOM 738 C GLU B 24 11.621 -5.367 11.827 1.00 0.00 C ATOM 739 O GLU B 24 11.923 -5.339 13.020 1.00 0.00 O ATOM 740 CB GLU B 24 11.708 -7.675 10.723 1.00 0.00 C ATOM 741 CG GLU B 24 11.038 -9.034 10.387 1.00 0.00 C ATOM 742 CD GLU B 24 12.002 -10.175 10.074 1.00 0.00 C ATOM 743 OE1 GLU B 24 12.689 -10.579 11.180 1.00 0.00 O ATOM 744 OE2 GLU B 24 12.124 -10.677 8.962 1.00 0.00 O ATOM 0 H GLU B 24 9.949 -6.646 9.311 1.00 0.00 H new ATOM 0 HA GLU B 24 10.180 -6.861 12.131 1.00 0.00 H new ATOM 0 HB2 GLU B 24 12.200 -7.304 9.824 1.00 0.00 H new ATOM 0 HB3 GLU B 24 12.488 -7.851 11.464 1.00 0.00 H new ATOM 0 HG2 GLU B 24 10.412 -9.330 11.229 1.00 0.00 H new ATOM 0 HG3 GLU B 24 10.377 -8.893 9.532 1.00 0.00 H new ATOM 745 N ALA B 25 12.013 -4.405 10.979 1.00 0.00 N ATOM 746 CA ALA B 25 12.363 -3.012 11.372 1.00 0.00 C ATOM 747 C ALA B 25 11.476 -2.341 12.495 1.00 0.00 C ATOM 748 O ALA B 25 12.013 -1.706 13.404 1.00 0.00 O ATOM 749 CB ALA B 25 12.208 -2.109 10.123 1.00 0.00 C ATOM 0 H ALA B 25 12.101 -4.567 9.976 1.00 0.00 H new ATOM 0 HA ALA B 25 13.372 -3.093 11.777 1.00 0.00 H new ATOM 0 HB1 ALA B 25 12.459 -1.081 10.384 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.878 -2.458 9.337 1.00 0.00 H new ATOM 0 HB3 ALA B 25 11.178 -2.152 9.768 1.00 0.00 H new ATOM 750 N ASN B 26 10.124 -2.412 12.357 1.00 0.00 N ATOM 751 CA ASN B 26 9.181 -1.536 13.110 1.00 0.00 C ATOM 752 C ASN B 26 8.288 -2.278 14.179 1.00 0.00 C ATOM 753 O ASN B 26 8.184 -1.797 15.310 1.00 0.00 O ATOM 754 CB ASN B 26 8.507 -0.675 11.989 1.00 0.00 C ATOM 755 CG ASN B 26 7.003 -0.461 11.997 1.00 0.00 C ATOM 756 OD1 ASN B 26 6.443 0.505 12.497 1.00 0.00 O ATOM 757 ND2 ASN B 26 6.340 -1.361 11.341 1.00 0.00 N ATOM 0 H ASN B 26 9.661 -3.069 11.729 1.00 0.00 H new ATOM 0 HA ASN B 26 9.660 -0.868 13.825 1.00 0.00 H new ATOM 0 HB2 ASN B 26 8.975 0.309 12.011 1.00 0.00 H new ATOM 0 HB3 ASN B 26 8.765 -1.129 11.032 1.00 0.00 H new ATOM 0 HD21 ASN B 26 5.330 -1.272 11.233 1.00 0.00 H new ATOM 0 HD22 ASN B 26 6.829 -2.158 10.933 1.00 0.00 H new ATOM 758 N GLY B 27 7.641 -3.411 13.845 1.00 0.00 N ATOM 759 CA GLY B 27 6.837 -4.214 14.824 1.00 0.00 C ATOM 760 C GLY B 27 5.603 -4.993 14.295 1.00 0.00 C ATOM 761 O GLY B 27 4.543 -4.978 14.922 1.00 0.00 O ATOM 0 H GLY B 27 7.652 -3.803 12.904 1.00 0.00 H new ATOM 0 HA2 GLY B 27 7.507 -4.933 15.295 1.00 0.00 H new ATOM 0 HA3 GLY B 27 6.493 -3.538 15.607 1.00 0.00 H new ATOM 762 N ARG B 28 5.724 -5.689 13.158 1.00 0.00 N ATOM 763 CA ARG B 28 4.601 -6.368 12.442 1.00 0.00 C ATOM 764 C ARG B 28 5.269 -7.489 11.580 1.00 0.00 C ATOM 765 O ARG B 28 6.472 -7.480 11.306 1.00 0.00 O ATOM 766 CB ARG B 28 3.583 -5.355 11.825 1.00 0.00 C ATOM 767 CG ARG B 28 4.056 -3.951 11.366 1.00 0.00 C ATOM 768 CD ARG B 28 2.887 -2.992 11.105 1.00 0.00 C ATOM 769 NE ARG B 28 3.326 -1.826 10.297 1.00 0.00 N ATOM 770 CZ ARG B 28 3.089 -0.545 10.564 1.00 0.00 C ATOM 771 NH1 ARG B 28 2.431 -0.111 11.594 1.00 0.00 N ATOM 772 NH2 ARG B 28 3.541 0.322 9.733 1.00 0.00 N ATOM 0 H ARG B 28 6.621 -5.807 12.687 1.00 0.00 H new ATOM 0 HA ARG B 28 3.885 -6.891 13.076 1.00 0.00 H new ATOM 0 HB2 ARG B 28 3.128 -5.840 10.962 1.00 0.00 H new ATOM 0 HB3 ARG B 28 2.792 -5.205 12.560 1.00 0.00 H new ATOM 0 HG2 ARG B 28 4.708 -3.524 12.128 1.00 0.00 H new ATOM 0 HG3 ARG B 28 4.650 -4.051 10.457 1.00 0.00 H new ATOM 0 HD2 ARG B 28 2.088 -3.520 10.584 1.00 0.00 H new ATOM 0 HD3 ARG B 28 2.476 -2.647 12.054 1.00 0.00 H new ATOM 0 HE ARG B 28 3.863 -2.028 9.453 1.00 0.00 H new ATOM 0 HH11 ARG B 28 2.052 -0.772 12.272 1.00 0.00 H new ATOM 0 HH12 ARG B 28 2.293 0.891 11.726 1.00 0.00 H new ATOM 0 HH21 ARG B 28 4.058 0.017 8.908 1.00 0.00 H new ATOM 0 HH22 ARG B 28 3.383 1.316 9.897 1.00 0.00 H new ATOM 773 N SER B 29 4.555 -8.572 11.262 1.00 0.00 N ATOM 774 CA SER B 29 5.198 -9.789 10.662 1.00 0.00 C ATOM 775 C SER B 29 4.525 -9.982 9.298 1.00 0.00 C ATOM 776 O SER B 29 3.320 -10.168 9.293 1.00 0.00 O ATOM 777 CB SER B 29 5.089 -10.992 11.631 1.00 0.00 C ATOM 778 OG SER B 29 3.741 -11.320 11.977 1.00 0.00 O ATOM 0 H SER B 29 3.547 -8.651 11.399 1.00 0.00 H new ATOM 0 HA SER B 29 6.272 -9.683 10.507 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.561 -11.862 11.174 1.00 0.00 H new ATOM 0 HB3 SER B 29 5.646 -10.768 12.541 1.00 0.00 H new ATOM 0 HG SER B 29 3.159 -11.169 11.203 1.00 0.00 H new ATOM 779 N MET B 30 5.185 -9.776 8.148 1.00 0.00 N ATOM 780 CA MET B 30 4.519 -9.182 6.951 1.00 0.00 C ATOM 781 C MET B 30 3.058 -9.584 6.571 1.00 0.00 C ATOM 782 O MET B 30 2.285 -8.703 6.253 1.00 0.00 O ATOM 783 CB MET B 30 5.370 -9.420 5.707 1.00 0.00 C ATOM 784 CG MET B 30 6.120 -8.258 5.111 1.00 0.00 C ATOM 785 SD MET B 30 5.517 -8.119 3.435 1.00 0.00 S ATOM 786 CE MET B 30 7.044 -8.436 2.625 1.00 0.00 C ATOM 0 H MET B 30 6.169 -10.005 8.010 1.00 0.00 H new ATOM 0 HA MET B 30 4.431 -8.146 7.279 1.00 0.00 H new ATOM 0 HB2 MET B 30 6.098 -10.195 5.948 1.00 0.00 H new ATOM 0 HB3 MET B 30 4.718 -9.825 4.933 1.00 0.00 H new ATOM 0 HG2 MET B 30 5.937 -7.342 5.672 1.00 0.00 H new ATOM 0 HG3 MET B 30 7.196 -8.433 5.129 1.00 0.00 H new ATOM 0 HE1 MET B 30 6.910 -8.345 1.547 1.00 0.00 H new ATOM 0 HE2 MET B 30 7.790 -7.715 2.960 1.00 0.00 H new ATOM 0 HE3 MET B 30 7.381 -9.445 2.865 1.00 0.00 H new ATOM 787 N ASN B 31 2.602 -10.837 6.582 1.00 0.00 N ATOM 788 CA ASN B 31 1.129 -11.100 6.547 1.00 0.00 C ATOM 789 C ASN B 31 0.265 -10.180 7.520 1.00 0.00 C ATOM 790 O ASN B 31 -0.614 -9.479 7.033 1.00 0.00 O ATOM 791 CB ASN B 31 0.909 -12.628 6.684 1.00 0.00 C ATOM 792 CG ASN B 31 -0.516 -13.143 6.502 1.00 0.00 C ATOM 793 OD1 ASN B 31 -1.042 -13.859 7.342 1.00 0.00 O ATOM 794 ND2 ASN B 31 -1.175 -12.821 5.421 1.00 0.00 N ATOM 0 H ASN B 31 3.190 -11.670 6.613 1.00 0.00 H new ATOM 0 HA ASN B 31 0.728 -10.789 5.582 1.00 0.00 H new ATOM 0 HB2 ASN B 31 1.546 -13.128 5.954 1.00 0.00 H new ATOM 0 HB3 ASN B 31 1.256 -12.933 7.671 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -2.124 -13.167 5.280 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -0.740 -12.224 4.718 1.00 0.00 H new ATOM 795 N SER B 32 0.685 -9.997 8.787 1.00 0.00 N ATOM 796 CA SER B 32 0.521 -8.712 9.543 1.00 0.00 C ATOM 797 C SER B 32 0.985 -7.359 8.886 1.00 0.00 C ATOM 798 O SER B 32 0.101 -6.549 8.595 1.00 0.00 O ATOM 799 CB SER B 32 0.960 -8.947 11.013 1.00 0.00 C ATOM 800 OG SER B 32 0.988 -7.743 11.784 1.00 0.00 O ATOM 0 H SER B 32 1.149 -10.728 9.327 1.00 0.00 H new ATOM 0 HA SER B 32 -0.544 -8.482 9.503 1.00 0.00 H new ATOM 0 HB2 SER B 32 0.278 -9.657 11.482 1.00 0.00 H new ATOM 0 HB3 SER B 32 1.950 -9.402 11.023 1.00 0.00 H new ATOM 0 HG SER B 32 1.269 -7.948 12.700 1.00 0.00 H new ATOM 801 N GLU B 33 2.284 -7.052 8.658 1.00 0.00 N ATOM 802 CA GLU B 33 2.670 -5.706 8.080 1.00 0.00 C ATOM 803 C GLU B 33 2.135 -5.323 6.683 1.00 0.00 C ATOM 804 O GLU B 33 1.499 -4.279 6.535 1.00 0.00 O ATOM 805 CB GLU B 33 4.179 -5.465 7.962 1.00 0.00 C ATOM 806 CG GLU B 33 4.550 -3.956 7.842 1.00 0.00 C ATOM 807 CD GLU B 33 4.673 -3.293 6.468 1.00 0.00 C ATOM 808 OE1 GLU B 33 5.121 -3.837 5.465 1.00 0.00 O ATOM 809 OE2 GLU B 33 4.241 -2.002 6.498 1.00 0.00 O ATOM 0 H GLU B 33 3.067 -7.677 8.850 1.00 0.00 H new ATOM 0 HA GLU B 33 2.185 -5.094 8.840 1.00 0.00 H new ATOM 0 HB2 GLU B 33 4.678 -5.887 8.835 1.00 0.00 H new ATOM 0 HB3 GLU B 33 4.559 -5.997 7.090 1.00 0.00 H new ATOM 0 HG2 GLU B 33 3.803 -3.395 8.404 1.00 0.00 H new ATOM 0 HG3 GLU B 33 5.503 -3.817 8.352 1.00 0.00 H new ATOM 810 N LEU B 34 2.458 -6.158 5.666 1.00 0.00 N ATOM 811 CA LEU B 34 1.832 -6.152 4.335 1.00 0.00 C ATOM 812 C LEU B 34 0.302 -5.911 4.542 1.00 0.00 C ATOM 813 O LEU B 34 -0.167 -4.919 4.015 1.00 0.00 O ATOM 814 CB LEU B 34 2.194 -7.486 3.599 1.00 0.00 C ATOM 815 CG LEU B 34 2.473 -7.559 2.069 1.00 0.00 C ATOM 816 CD1 LEU B 34 2.333 -8.958 1.448 1.00 0.00 C ATOM 817 CD2 LEU B 34 1.781 -6.621 1.077 1.00 0.00 C ATOM 0 H LEU B 34 3.182 -6.871 5.758 1.00 0.00 H new ATOM 0 HA LEU B 34 2.199 -5.354 3.690 1.00 0.00 H new ATOM 0 HB2 LEU B 34 3.080 -7.883 4.095 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.379 -8.181 3.799 1.00 0.00 H new ATOM 0 HG LEU B 34 3.499 -7.203 2.168 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.547 -8.905 0.380 1.00 0.00 H new ATOM 0 HD12 LEU B 34 3.036 -9.640 1.926 1.00 0.00 H new ATOM 0 HD13 LEU B 34 1.316 -9.322 1.597 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.121 -6.845 0.066 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.702 -6.761 1.136 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.027 -5.588 1.322 1.00 0.00 H new ATOM 818 N LEU B 35 -0.482 -6.679 5.364 1.00 0.00 N ATOM 819 CA LEU B 35 -1.948 -6.458 5.413 1.00 0.00 C ATOM 820 C LEU B 35 -2.400 -5.098 5.922 1.00 0.00 C ATOM 821 O LEU B 35 -3.050 -4.373 5.178 1.00 0.00 O ATOM 822 CB LEU B 35 -2.763 -7.526 6.183 1.00 0.00 C ATOM 823 CG LEU B 35 -3.317 -8.678 5.344 1.00 0.00 C ATOM 824 CD1 LEU B 35 -4.195 -9.502 6.264 1.00 0.00 C ATOM 825 CD2 LEU B 35 -4.142 -8.107 4.162 1.00 0.00 C ATOM 0 H LEU B 35 -0.135 -7.421 5.972 1.00 0.00 H new ATOM 0 HA LEU B 35 -2.168 -6.532 4.348 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -2.129 -7.944 6.965 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -3.597 -7.030 6.679 1.00 0.00 H new ATOM 0 HG LEU B 35 -2.520 -9.293 4.925 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -4.616 -10.341 5.710 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -3.599 -9.879 7.095 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -5.002 -8.880 6.650 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -4.537 -8.928 3.564 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -4.968 -7.510 4.549 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -3.502 -7.481 3.541 1.00 0.00 H new ATOM 826 N GLN B 36 -2.072 -4.773 7.169 1.00 0.00 N ATOM 827 CA GLN B 36 -2.435 -3.449 7.723 1.00 0.00 C ATOM 828 C GLN B 36 -1.824 -2.214 6.969 1.00 0.00 C ATOM 829 O GLN B 36 -2.475 -1.172 6.979 1.00 0.00 O ATOM 830 CB GLN B 36 -2.502 -3.465 9.262 1.00 0.00 C ATOM 831 CG GLN B 36 -1.175 -3.675 10.001 1.00 0.00 C ATOM 832 CD GLN B 36 -0.385 -2.426 10.347 1.00 0.00 C ATOM 833 OE1 GLN B 36 0.148 -1.748 9.366 1.00 0.00 O flip ATOM 834 NE2 GLN B 36 -0.175 -2.090 11.505 1.00 0.00 N flip ATOM 0 H GLN B 36 -1.567 -5.384 7.811 1.00 0.00 H new ATOM 0 HA GLN B 36 -3.474 -3.241 7.468 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -2.932 -2.521 9.595 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -3.190 -4.254 9.566 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -1.381 -4.215 10.925 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -0.543 -4.320 9.390 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -0.590 -2.618 12.273 1.00 0.00 H new ATOM 0 HE22 GLN B 36 0.415 -1.282 11.703 1.00 0.00 H new ATOM 835 N ILE B 37 -0.675 -2.312 6.246 1.00 0.00 N ATOM 836 CA ILE B 37 -0.277 -1.269 5.252 1.00 0.00 C ATOM 837 C ILE B 37 -1.016 -1.308 3.877 1.00 0.00 C ATOM 838 O ILE B 37 -1.041 -0.279 3.238 1.00 0.00 O ATOM 839 CB ILE B 37 1.288 -1.285 5.062 1.00 0.00 C ATOM 840 CG1 ILE B 37 1.892 0.138 4.956 1.00 0.00 C ATOM 841 CG2 ILE B 37 1.738 -2.137 3.839 1.00 0.00 C ATOM 842 CD1 ILE B 37 1.880 0.916 6.287 1.00 0.00 C ATOM 0 H ILE B 37 -0.017 -3.087 6.328 1.00 0.00 H new ATOM 0 HA ILE B 37 -0.603 -0.324 5.685 1.00 0.00 H new ATOM 0 HB ILE B 37 1.675 -1.755 5.966 1.00 0.00 H new ATOM 0 HG12 ILE B 37 2.919 0.062 4.599 1.00 0.00 H new ATOM 0 HG13 ILE B 37 1.336 0.705 4.209 1.00 0.00 H new ATOM 0 HG21 ILE B 37 2.825 -2.111 3.758 1.00 0.00 H new ATOM 0 HG22 ILE B 37 1.408 -3.167 3.972 1.00 0.00 H new ATOM 0 HG23 ILE B 37 1.296 -1.730 2.930 1.00 0.00 H new ATOM 0 HD11 ILE B 37 2.318 1.903 6.136 1.00 0.00 H new ATOM 0 HD12 ILE B 37 0.853 1.024 6.636 1.00 0.00 H new ATOM 0 HD13 ILE B 37 2.461 0.372 7.032 1.00 0.00 H new ATOM 843 N VAL B 38 -1.412 -2.473 3.361 1.00 0.00 N ATOM 844 CA VAL B 38 -2.153 -2.708 2.086 1.00 0.00 C ATOM 845 C VAL B 38 -3.663 -2.297 2.230 1.00 0.00 C ATOM 846 O VAL B 38 -4.194 -1.546 1.424 1.00 0.00 O ATOM 847 CB VAL B 38 -2.045 -4.235 1.805 1.00 0.00 C ATOM 848 CG1 VAL B 38 -3.048 -4.967 0.908 1.00 0.00 C ATOM 849 CG2 VAL B 38 -0.666 -4.618 1.273 1.00 0.00 C ATOM 0 H VAL B 38 -1.217 -3.349 3.845 1.00 0.00 H new ATOM 0 HA VAL B 38 -1.734 -2.112 1.275 1.00 0.00 H new ATOM 0 HB VAL B 38 -2.285 -4.573 2.813 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -2.783 -6.023 0.851 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -4.050 -4.866 1.325 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -3.026 -4.533 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.632 -5.692 1.090 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -0.474 -4.085 0.342 1.00 0.00 H new ATOM 0 HG23 VAL B 38 0.094 -4.351 2.007 1.00 0.00 H new ATOM 850 N GLN B 39 -4.354 -2.778 3.286 1.00 0.00 N ATOM 851 CA GLN B 39 -5.486 -2.068 3.946 1.00 0.00 C ATOM 852 C GLN B 39 -5.292 -0.522 4.109 1.00 0.00 C ATOM 853 O GLN B 39 -6.146 0.240 3.655 1.00 0.00 O ATOM 854 CB GLN B 39 -5.670 -2.770 5.330 1.00 0.00 C ATOM 855 CG GLN B 39 -6.404 -4.137 5.305 1.00 0.00 C ATOM 856 CD GLN B 39 -6.371 -4.978 6.586 1.00 0.00 C ATOM 857 OE1 GLN B 39 -6.135 -6.179 6.566 1.00 0.00 O ATOM 858 NE2 GLN B 39 -6.638 -4.413 7.736 1.00 0.00 N ATOM 0 H GLN B 39 -4.144 -3.680 3.714 1.00 0.00 H new ATOM 0 HA GLN B 39 -6.371 -2.139 3.314 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -4.686 -2.916 5.775 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -6.220 -2.096 5.987 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -7.448 -3.954 5.049 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -5.977 -4.734 4.499 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -6.838 -3.414 7.779 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -6.646 -4.972 8.589 1.00 0.00 H new ATOM 859 N ASP B 40 -4.137 -0.059 4.636 1.00 0.00 N ATOM 860 CA ASP B 40 -3.692 1.352 4.450 1.00 0.00 C ATOM 861 C ASP B 40 -3.515 1.889 2.983 1.00 0.00 C ATOM 862 O ASP B 40 -3.857 3.033 2.674 1.00 0.00 O ATOM 863 CB ASP B 40 -2.544 1.722 5.422 1.00 0.00 C ATOM 864 CG ASP B 40 -2.670 3.105 6.051 1.00 0.00 C ATOM 865 OD1 ASP B 40 -3.081 4.099 5.461 1.00 0.00 O ATOM 866 OD2 ASP B 40 -2.239 3.114 7.340 1.00 0.00 O ATOM 0 H ASP B 40 -3.498 -0.630 5.189 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.570 1.931 4.736 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -2.504 0.977 6.217 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -1.597 1.666 4.884 1.00 0.00 H new ATOM 867 N ALA B 41 -2.998 1.048 2.088 1.00 0.00 N ATOM 868 CA ALA B 41 -2.695 1.392 0.680 1.00 0.00 C ATOM 869 C ALA B 41 -3.914 1.560 -0.286 1.00 0.00 C ATOM 870 O ALA B 41 -3.926 2.403 -1.184 1.00 0.00 O ATOM 871 CB ALA B 41 -1.640 0.355 0.241 1.00 0.00 C ATOM 0 H ALA B 41 -2.769 0.081 2.318 1.00 0.00 H new ATOM 0 HA ALA B 41 -2.311 2.410 0.618 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -1.359 0.539 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -0.759 0.441 0.877 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -2.056 -0.648 0.331 1.00 0.00 H new ATOM 872 N LEU B 42 -4.939 0.751 -0.043 1.00 0.00 N ATOM 873 CA LEU B 42 -6.237 0.747 -0.759 1.00 0.00 C ATOM 874 C LEU B 42 -7.297 1.692 -0.114 1.00 0.00 C ATOM 875 O LEU B 42 -7.956 2.450 -0.828 1.00 0.00 O ATOM 876 CB LEU B 42 -6.739 -0.725 -0.736 1.00 0.00 C ATOM 877 CG LEU B 42 -5.783 -1.798 -1.314 1.00 0.00 C ATOM 878 CD1 LEU B 42 -6.096 -3.181 -0.747 1.00 0.00 C ATOM 879 CD2 LEU B 42 -5.765 -1.771 -2.843 1.00 0.00 C ATOM 0 H LEU B 42 -4.899 0.043 0.690 1.00 0.00 H new ATOM 0 HA LEU B 42 -6.096 1.123 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -6.964 -0.991 0.297 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -7.677 -0.773 -1.289 1.00 0.00 H new ATOM 0 HG LEU B 42 -4.770 -1.554 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -5.408 -3.912 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -5.984 -3.164 0.337 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -7.120 -3.455 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -5.083 -2.537 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -6.768 -1.965 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -5.430 -0.792 -3.186 1.00 0.00 H new