USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 595 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 5 MET CE :methyl -166:sc= -0.0162 (180deg=-0.261) USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 58 THR OG1 : rot -63:sc= 0.306 USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0.22 USER MOD Set 3.1: A 21 GLN : amide:sc= -0.782 K(o=-2.3,f=-3.2!) USER MOD Set 3.2: A 25 HIS :FLIP no HE2:sc= -0.558 F(o=-5.4,f=-2.3) USER MOD Set 3.3: A 64 ASN :FLIP amide:sc= -0.941 F(o=-3,f=-2.3) USER MOD Set 4.1: A 61 MET CE :methyl -147:sc= -0.351 (180deg=-2.58!) USER MOD Set 4.2: A 66 HIS :FLIP no HD1:sc= -0.0201 F(o=-0.92,f=-0.37) USER MOD Set 5.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 53 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.3) USER MOD Set 6.1: A 37 ASN : amide:sc= 0.353 K(o=0.22,f=-0.61) USER MOD Set 6.2: A 39 SER OG : rot -81:sc= 0.0531 USER MOD Set 6.3: A 40 SER OG : rot 180:sc= 0.341 USER MOD Set 6.4: A 42 GLN : amide:sc= -0.522 K(o=0.22,f=-1.1) USER MOD Set 7.1: A 11 GLN : amide:sc= -0.242 X(o=-0.43,f=-0.48) USER MOD Set 7.2: A 35 MET CE :methyl 146:sc= -0.184 (180deg=-0.235) USER MOD Set 8.1: A 8 MET CE :methyl -171:sc= -0.125 (180deg=-0.226) USER MOD Set 8.2: A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 143:sc= 0.208 (180deg=-0.13) USER MOD Single : A 1 SER OG : rot 128:sc= 0.406 USER MOD Single : A 2 ASN : amide:sc= 1.24 K(o=1.2,f=-2.5!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.2) USER MOD Single : A 24 SER OG : rot 95:sc= 0.114 USER MOD Single : A 28 GLN : amide:sc= 0.751 K(o=0.75,f=-5.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -67:sc= 0.158 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.129 F(o=-1!,f=-0.13) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.675 K(o=-0.67,f=-8.4!) USER MOD Single : A 73 GLN :FLIP amide:sc= -1.2 F(o=-2.8,f=-1.2) USER MOD Single : A 74 LYS NZ :NH3+ 160:sc=-0.000444 (180deg=-0.34) USER MOD Single : A 77 MET CE :methyl -154:sc=-0.00918 (180deg=-0.748) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.158 F(o=-0.87,f=-0.16) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.649 K(o=0.65,f=-0.0025) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.452 10.723 -3.321 1.00 11.22 N ATOM 2 CA SER A 1 -5.352 9.307 -2.958 1.00 70.15 C ATOM 3 C SER A 1 -4.691 9.170 -1.584 1.00 30.22 C ATOM 4 O SER A 1 -3.827 9.978 -1.248 1.00 61.45 O ATOM 5 CB SER A 1 -4.588 8.532 -4.039 1.00 61.32 C ATOM 6 OG SER A 1 -4.927 8.998 -5.334 1.00 45.43 O ATOM 0 H1 SER A 1 -5.286 10.832 -4.342 1.00 11.22 H new ATOM 0 H2 SER A 1 -6.402 11.076 -3.085 1.00 11.22 H new ATOM 0 H3 SER A 1 -4.740 11.268 -2.794 1.00 11.22 H new ATOM 0 HA SER A 1 -6.351 8.876 -2.894 1.00 70.15 H new ATOM 0 HB2 SER A 1 -3.515 8.640 -3.879 1.00 61.32 H new ATOM 0 HB3 SER A 1 -4.817 7.469 -3.960 1.00 61.32 H new ATOM 0 HG SER A 1 -4.109 9.219 -5.827 1.00 45.43 H new ATOM 11 N ASN A 2 -5.096 8.171 -0.792 1.00 42.54 N ATOM 12 CA ASN A 2 -4.516 7.761 0.496 1.00 31.12 C ATOM 13 C ASN A 2 -4.158 6.268 0.501 1.00 51.31 C ATOM 14 O ASN A 2 -3.903 5.704 1.565 1.00 51.34 O ATOM 15 CB ASN A 2 -5.482 8.044 1.662 1.00 60.02 C ATOM 16 CG ASN A 2 -6.676 7.083 1.668 1.00 33.43 C ATOM 17 OD1 ASN A 2 -7.288 6.841 0.630 1.00 41.21 O ATOM 18 ND2 ASN A 2 -7.020 6.505 2.802 1.00 73.32 N ATOM 0 H ASN A 2 -5.891 7.587 -1.050 1.00 42.54 H new ATOM 0 HA ASN A 2 -3.608 8.349 0.629 1.00 31.12 H new ATOM 0 HB2 ASN A 2 -4.944 7.959 2.606 1.00 60.02 H new ATOM 0 HB3 ASN A 2 -5.843 9.070 1.592 1.00 60.02 H new ATOM 0 HD21 ASN A 2 -7.801 5.849 2.824 1.00 73.32 H new ATOM 0 HD22 ASN A 2 -6.505 6.713 3.657 1.00 73.32 H new ATOM 24 N ILE A 3 -4.160 5.621 -0.667 1.00 55.53 N ATOM 25 CA ILE A 3 -3.749 4.237 -0.826 1.00 60.02 C ATOM 26 C ILE A 3 -2.435 4.243 -1.578 1.00 62.02 C ATOM 27 O ILE A 3 -2.368 4.725 -2.716 1.00 63.15 O ATOM 28 CB ILE A 3 -4.817 3.394 -1.542 1.00 3.40 C ATOM 29 CG1 ILE A 3 -6.041 3.259 -0.621 1.00 22.41 C ATOM 30 CG2 ILE A 3 -4.251 2.005 -1.883 1.00 15.40 C ATOM 31 CD1 ILE A 3 -7.147 2.351 -1.161 1.00 73.21 C ATOM 0 H ILE A 3 -4.454 6.058 -1.540 1.00 55.53 H new ATOM 0 HA ILE A 3 -3.623 3.769 0.151 1.00 60.02 H new ATOM 0 HB ILE A 3 -5.111 3.882 -2.471 1.00 3.40 H new ATOM 0 HG12 ILE A 3 -5.712 2.874 0.344 1.00 22.41 H new ATOM 0 HG13 ILE A 3 -6.457 4.251 -0.444 1.00 22.41 H new ATOM 0 HG21 ILE A 3 -5.015 1.415 -2.390 1.00 15.40 H new ATOM 0 HG22 ILE A 3 -3.385 2.115 -2.536 1.00 15.40 H new ATOM 0 HG23 ILE A 3 -3.951 1.499 -0.965 1.00 15.40 H new ATOM 0 HD11 ILE A 3 -7.969 2.315 -0.447 1.00 73.21 H new ATOM 0 HD12 ILE A 3 -7.509 2.744 -2.111 1.00 73.21 H new ATOM 0 HD13 ILE A 3 -6.752 1.346 -1.311 1.00 73.21 H new ATOM 42 N VAL A 4 -1.411 3.682 -0.956 1.00 3.50 N ATOM 43 CA VAL A 4 -0.146 3.406 -1.602 1.00 40.55 C ATOM 44 C VAL A 4 -0.154 1.899 -1.877 1.00 42.41 C ATOM 45 O VAL A 4 -0.298 1.096 -0.952 1.00 33.21 O ATOM 46 CB VAL A 4 1.012 3.943 -0.739 1.00 35.30 C ATOM 47 CG1 VAL A 4 2.295 3.878 -1.573 1.00 52.34 C ATOM 48 CG2 VAL A 4 0.773 5.407 -0.303 1.00 51.34 C ATOM 0 H VAL A 4 -1.439 3.403 0.025 1.00 3.50 H new ATOM 0 HA VAL A 4 0.001 3.917 -2.553 1.00 40.55 H new ATOM 0 HB VAL A 4 1.087 3.334 0.162 1.00 35.30 H new ATOM 0 HG11 VAL A 4 3.132 4.253 -0.984 1.00 52.34 H new ATOM 0 HG12 VAL A 4 2.489 2.845 -1.862 1.00 52.34 H new ATOM 0 HG13 VAL A 4 2.179 4.489 -2.468 1.00 52.34 H new ATOM 0 HG21 VAL A 4 1.612 5.748 0.304 1.00 51.34 H new ATOM 0 HG22 VAL A 4 0.683 6.040 -1.186 1.00 51.34 H new ATOM 0 HG23 VAL A 4 -0.145 5.467 0.281 1.00 51.34 H new ATOM 58 N MET A 5 -0.095 1.515 -3.153 1.00 53.53 N ATOM 59 CA MET A 5 -0.036 0.127 -3.602 1.00 1.30 C ATOM 60 C MET A 5 1.375 -0.122 -4.111 1.00 62.44 C ATOM 61 O MET A 5 1.933 0.738 -4.793 1.00 63.25 O ATOM 62 CB MET A 5 -1.099 -0.105 -4.680 1.00 34.32 C ATOM 63 CG MET A 5 -1.205 -1.535 -5.220 1.00 60.13 C ATOM 64 SD MET A 5 -0.075 -2.016 -6.554 1.00 1.24 S ATOM 65 CE MET A 5 -0.691 -1.001 -7.921 1.00 1.30 C ATOM 0 H MET A 5 -0.087 2.183 -3.924 1.00 53.53 H new ATOM 0 HA MET A 5 -0.250 -0.574 -2.795 1.00 1.30 H new ATOM 0 HB2 MET A 5 -2.069 0.182 -4.274 1.00 34.32 H new ATOM 0 HB3 MET A 5 -0.893 0.564 -5.516 1.00 34.32 H new ATOM 0 HG2 MET A 5 -1.052 -2.221 -4.387 1.00 60.13 H new ATOM 0 HG3 MET A 5 -2.225 -1.686 -5.573 1.00 60.13 H new ATOM 0 HE1 MET A 5 -0.269 -1.360 -8.860 1.00 1.30 H new ATOM 0 HE2 MET A 5 -1.778 -1.068 -7.962 1.00 1.30 H new ATOM 0 HE3 MET A 5 -0.397 0.037 -7.765 1.00 1.30 H new ATOM 73 N LEU A 6 1.958 -1.262 -3.741 1.00 41.21 N ATOM 74 CA LEU A 6 3.373 -1.563 -3.922 1.00 54.34 C ATOM 75 C LEU A 6 3.492 -2.694 -4.930 1.00 43.22 C ATOM 76 O LEU A 6 3.417 -3.856 -4.540 1.00 71.44 O ATOM 77 CB LEU A 6 4.033 -1.974 -2.590 1.00 31.42 C ATOM 78 CG LEU A 6 4.159 -0.925 -1.474 1.00 54.54 C ATOM 79 CD1 LEU A 6 4.739 0.391 -1.984 1.00 55.45 C ATOM 80 CD2 LEU A 6 2.826 -0.655 -0.778 1.00 12.24 C ATOM 0 H LEU A 6 1.442 -2.021 -3.295 1.00 41.21 H new ATOM 0 HA LEU A 6 3.887 -0.672 -4.282 1.00 54.34 H new ATOM 0 HB2 LEU A 6 3.471 -2.817 -2.189 1.00 31.42 H new ATOM 0 HB3 LEU A 6 5.035 -2.338 -2.816 1.00 31.42 H new ATOM 0 HG LEU A 6 4.849 -1.353 -0.747 1.00 54.54 H new ATOM 0 HD11 LEU A 6 4.809 1.101 -1.160 1.00 55.45 H new ATOM 0 HD12 LEU A 6 5.732 0.215 -2.397 1.00 55.45 H new ATOM 0 HD13 LEU A 6 4.090 0.798 -2.760 1.00 55.45 H new ATOM 0 HD21 LEU A 6 2.968 0.093 0.002 1.00 12.24 H new ATOM 0 HD22 LEU A 6 2.103 -0.287 -1.506 1.00 12.24 H new ATOM 0 HD23 LEU A 6 2.455 -1.578 -0.333 1.00 12.24 H new ATOM 91 N ARG A 7 3.638 -2.386 -6.218 1.00 20.43 N ATOM 92 CA ARG A 7 3.886 -3.404 -7.239 1.00 42.14 C ATOM 93 C ARG A 7 5.246 -4.051 -7.006 1.00 32.05 C ATOM 94 O ARG A 7 6.136 -3.425 -6.427 1.00 61.30 O ATOM 95 CB ARG A 7 3.834 -2.794 -8.650 1.00 53.22 C ATOM 96 CG ARG A 7 2.441 -2.263 -9.015 1.00 3.31 C ATOM 97 CD ARG A 7 2.336 -1.961 -10.516 1.00 2.20 C ATOM 98 NE ARG A 7 2.098 -3.204 -11.265 1.00 55.13 N ATOM 99 CZ ARG A 7 2.441 -3.499 -12.523 1.00 22.03 C ATOM 100 NH1 ARG A 7 2.994 -2.595 -13.325 1.00 42.33 N ATOM 101 NH2 ARG A 7 2.221 -4.733 -12.966 1.00 20.43 N ATOM 0 H ARG A 7 3.588 -1.434 -6.581 1.00 20.43 H new ATOM 0 HA ARG A 7 3.105 -4.161 -7.164 1.00 42.14 H new ATOM 0 HB2 ARG A 7 4.557 -1.981 -8.717 1.00 53.22 H new ATOM 0 HB3 ARG A 7 4.133 -3.548 -9.378 1.00 53.22 H new ATOM 0 HG2 ARG A 7 1.685 -2.997 -8.736 1.00 3.31 H new ATOM 0 HG3 ARG A 7 2.233 -1.358 -8.444 1.00 3.31 H new ATOM 0 HD2 ARG A 7 1.524 -1.257 -10.697 1.00 2.20 H new ATOM 0 HD3 ARG A 7 3.253 -1.487 -10.865 1.00 2.20 H new ATOM 0 HE ARG A 7 1.606 -3.939 -10.757 1.00 55.13 H new ATOM 0 HH11 ARG A 7 3.166 -1.649 -12.985 1.00 42.33 H new ATOM 0 HH12 ARG A 7 3.246 -2.847 -14.281 1.00 42.33 H new ATOM 0 HH21 ARG A 7 1.800 -5.428 -12.350 1.00 20.43 H new ATOM 0 HH22 ARG A 7 2.473 -4.984 -13.922 1.00 20.43 H new ATOM 112 N MET A 8 5.430 -5.252 -7.559 1.00 32.34 N ATOM 113 CA MET A 8 6.713 -5.950 -7.653 1.00 35.11 C ATOM 114 C MET A 8 7.189 -6.504 -6.302 1.00 42.23 C ATOM 115 O MET A 8 8.384 -6.699 -6.084 1.00 42.43 O ATOM 116 CB MET A 8 7.772 -5.087 -8.360 1.00 41.20 C ATOM 117 CG MET A 8 7.246 -4.357 -9.599 1.00 43.33 C ATOM 118 SD MET A 8 8.426 -4.210 -10.960 1.00 42.14 S ATOM 119 CE MET A 8 9.830 -3.450 -10.105 1.00 74.41 C ATOM 0 H MET A 8 4.662 -5.784 -7.968 1.00 32.34 H new ATOM 0 HA MET A 8 6.555 -6.827 -8.280 1.00 35.11 H new ATOM 0 HB2 MET A 8 8.159 -4.353 -7.654 1.00 41.20 H new ATOM 0 HB3 MET A 8 8.609 -5.721 -8.651 1.00 41.20 H new ATOM 0 HG2 MET A 8 6.361 -4.880 -9.961 1.00 43.33 H new ATOM 0 HG3 MET A 8 6.928 -3.357 -9.305 1.00 43.33 H new ATOM 0 HE1 MET A 8 10.580 -3.147 -10.835 1.00 74.41 H new ATOM 0 HE2 MET A 8 9.489 -2.575 -9.552 1.00 74.41 H new ATOM 0 HE3 MET A 8 10.267 -4.169 -9.413 1.00 74.41 H new ATOM 127 N LEU A 9 6.274 -6.796 -5.374 1.00 32.44 N ATOM 128 CA LEU A 9 6.614 -7.362 -4.076 1.00 33.23 C ATOM 129 C LEU A 9 7.247 -8.741 -4.230 1.00 74.11 C ATOM 130 O LEU A 9 6.861 -9.487 -5.141 1.00 15.15 O ATOM 131 CB LEU A 9 5.319 -7.434 -3.243 1.00 63.34 C ATOM 132 CG LEU A 9 5.422 -6.735 -1.890 1.00 54.40 C ATOM 133 CD1 LEU A 9 5.861 -5.264 -1.998 1.00 63.22 C ATOM 134 CD2 LEU A 9 4.064 -6.753 -1.207 1.00 75.23 C ATOM 0 H LEU A 9 5.274 -6.644 -5.507 1.00 32.44 H new ATOM 0 HA LEU A 9 7.349 -6.735 -3.572 1.00 33.23 H new ATOM 0 HB2 LEU A 9 4.505 -6.986 -3.813 1.00 63.34 H new ATOM 0 HB3 LEU A 9 5.058 -8.480 -3.083 1.00 63.34 H new ATOM 0 HG LEU A 9 6.177 -7.279 -1.323 1.00 54.40 H new ATOM 0 HD11 LEU A 9 5.914 -4.826 -1.001 1.00 63.22 H new ATOM 0 HD12 LEU A 9 6.842 -5.211 -2.471 1.00 63.22 H new ATOM 0 HD13 LEU A 9 5.138 -4.712 -2.599 1.00 63.22 H new ATOM 0 HD21 LEU A 9 4.136 -6.254 -0.241 1.00 75.23 H new ATOM 0 HD22 LEU A 9 3.336 -6.233 -1.830 1.00 75.23 H new ATOM 0 HD23 LEU A 9 3.744 -7.785 -1.060 1.00 75.23 H new ATOM 145 N PRO A 10 8.183 -9.102 -3.339 1.00 23.14 N ATOM 146 CA PRO A 10 8.660 -10.462 -3.213 1.00 41.30 C ATOM 147 C PRO A 10 7.629 -11.334 -2.540 1.00 42.42 C ATOM 148 O PRO A 10 6.794 -10.866 -1.763 1.00 75.00 O ATOM 149 CB PRO A 10 9.899 -10.385 -2.338 1.00 60.31 C ATOM 150 CG PRO A 10 9.680 -9.144 -1.486 1.00 2.25 C ATOM 151 CD PRO A 10 8.869 -8.229 -2.396 1.00 22.31 C ATOM 0 HA PRO A 10 8.867 -10.894 -4.192 1.00 41.30 H new ATOM 0 HB2 PRO A 10 10.007 -11.277 -1.721 1.00 60.31 H new ATOM 0 HB3 PRO A 10 10.805 -10.301 -2.938 1.00 60.31 H new ATOM 0 HG2 PRO A 10 9.141 -9.377 -0.568 1.00 2.25 H new ATOM 0 HG3 PRO A 10 10.625 -8.685 -1.194 1.00 2.25 H new ATOM 0 HD2 PRO A 10 8.155 -7.640 -1.820 1.00 22.31 H new ATOM 0 HD3 PRO A 10 9.517 -7.524 -2.918 1.00 22.31 H new ATOM 156 N GLN A 11 7.808 -12.633 -2.739 1.00 53.11 N ATOM 157 CA GLN A 11 6.970 -13.619 -2.088 1.00 51.40 C ATOM 158 C GLN A 11 7.355 -13.782 -0.611 1.00 12.15 C ATOM 159 O GLN A 11 6.514 -14.196 0.181 1.00 33.42 O ATOM 160 CB GLN A 11 7.023 -14.926 -2.893 1.00 22.11 C ATOM 161 CG GLN A 11 5.967 -15.948 -2.453 1.00 74.42 C ATOM 162 CD GLN A 11 4.548 -15.381 -2.547 1.00 12.45 C ATOM 163 OE1 GLN A 11 4.023 -15.102 -3.618 1.00 54.51 O ATOM 164 NE2 GLN A 11 3.897 -15.138 -1.421 1.00 14.44 N ATOM 0 H GLN A 11 8.528 -13.024 -3.347 1.00 53.11 H new ATOM 0 HA GLN A 11 5.932 -13.287 -2.074 1.00 51.40 H new ATOM 0 HB2 GLN A 11 6.883 -14.700 -3.950 1.00 22.11 H new ATOM 0 HB3 GLN A 11 8.014 -15.369 -2.790 1.00 22.11 H new ATOM 0 HG2 GLN A 11 6.043 -16.840 -3.075 1.00 74.42 H new ATOM 0 HG3 GLN A 11 6.167 -16.257 -1.427 1.00 74.42 H new ATOM 0 HE21 GLN A 11 4.326 -15.367 -0.524 1.00 14.44 H new ATOM 0 HE22 GLN A 11 2.966 -14.722 -1.450 1.00 14.44 H new ATOM 171 N ALA A 12 8.579 -13.414 -0.215 1.00 42.04 N ATOM 172 CA ALA A 12 9.076 -13.653 1.135 1.00 73.14 C ATOM 173 C ALA A 12 8.633 -12.600 2.156 1.00 22.41 C ATOM 174 O ALA A 12 8.607 -12.915 3.345 1.00 4.14 O ATOM 175 CB ALA A 12 10.603 -13.718 1.100 1.00 54.20 C ATOM 0 H ALA A 12 9.248 -12.943 -0.824 1.00 42.04 H new ATOM 0 HA ALA A 12 8.645 -14.598 1.465 1.00 73.14 H new ATOM 0 HB1 ALA A 12 10.983 -13.897 2.106 1.00 54.20 H new ATOM 0 HB2 ALA A 12 10.918 -14.530 0.444 1.00 54.20 H new ATOM 0 HB3 ALA A 12 10.999 -12.774 0.725 1.00 54.20 H new ATOM 181 N ALA A 13 8.335 -11.370 1.715 1.00 52.11 N ATOM 182 CA ALA A 13 8.111 -10.248 2.626 1.00 14.31 C ATOM 183 C ALA A 13 6.862 -10.473 3.478 1.00 23.01 C ATOM 184 O ALA A 13 5.968 -11.233 3.088 1.00 73.24 O ATOM 185 CB ALA A 13 8.039 -8.925 1.846 1.00 4.43 C ATOM 0 H ALA A 13 8.244 -11.130 0.728 1.00 52.11 H new ATOM 0 HA ALA A 13 8.958 -10.184 3.309 1.00 14.31 H new ATOM 0 HB1 ALA A 13 7.872 -8.102 2.541 1.00 4.43 H new ATOM 0 HB2 ALA A 13 8.976 -8.765 1.313 1.00 4.43 H new ATOM 0 HB3 ALA A 13 7.218 -8.969 1.131 1.00 4.43 H new ATOM 191 N THR A 14 6.791 -9.755 4.599 1.00 73.03 N ATOM 192 CA THR A 14 5.755 -9.890 5.608 1.00 42.33 C ATOM 193 C THR A 14 5.096 -8.533 5.846 1.00 64.32 C ATOM 194 O THR A 14 5.685 -7.496 5.524 1.00 14.52 O ATOM 195 CB THR A 14 6.372 -10.513 6.870 1.00 20.35 C ATOM 196 OG1 THR A 14 7.365 -9.685 7.449 1.00 41.51 O ATOM 197 CG2 THR A 14 7.019 -11.875 6.599 1.00 55.32 C ATOM 0 H THR A 14 7.480 -9.040 4.832 1.00 73.03 H new ATOM 0 HA THR A 14 4.960 -10.560 5.280 1.00 42.33 H new ATOM 0 HB THR A 14 5.533 -10.630 7.555 1.00 20.35 H new ATOM 0 HG1 THR A 14 7.728 -10.120 8.249 1.00 41.51 H new ATOM 0 HG21 THR A 14 7.439 -12.269 7.525 1.00 55.32 H new ATOM 0 HG22 THR A 14 6.267 -12.566 6.219 1.00 55.32 H new ATOM 0 HG23 THR A 14 7.813 -11.760 5.861 1.00 55.32 H new ATOM 205 N GLU A 15 3.872 -8.537 6.386 1.00 0.55 N ATOM 206 CA GLU A 15 3.164 -7.323 6.755 1.00 41.34 C ATOM 207 C GLU A 15 4.048 -6.466 7.679 1.00 34.13 C ATOM 208 O GLU A 15 4.102 -5.246 7.520 1.00 72.13 O ATOM 209 CB GLU A 15 1.832 -7.717 7.414 1.00 40.23 C ATOM 210 CG GLU A 15 0.756 -6.628 7.272 1.00 11.43 C ATOM 211 CD GLU A 15 -0.449 -6.840 8.202 1.00 60.01 C ATOM 212 OE1 GLU A 15 -0.268 -7.339 9.341 1.00 73.35 O ATOM 213 OE2 GLU A 15 -1.594 -6.514 7.809 1.00 44.21 O ATOM 0 H GLU A 15 3.349 -9.391 6.577 1.00 0.55 H new ATOM 0 HA GLU A 15 2.943 -6.717 5.877 1.00 41.34 H new ATOM 0 HB2 GLU A 15 1.469 -8.642 6.966 1.00 40.23 H new ATOM 0 HB3 GLU A 15 2.000 -7.920 8.472 1.00 40.23 H new ATOM 0 HG2 GLU A 15 1.202 -5.656 7.483 1.00 11.43 H new ATOM 0 HG3 GLU A 15 0.409 -6.602 6.239 1.00 11.43 H new ATOM 218 N ASP A 16 4.771 -7.101 8.613 1.00 40.30 N ATOM 219 CA ASP A 16 5.644 -6.400 9.555 1.00 71.01 C ATOM 220 C ASP A 16 6.843 -5.748 8.860 1.00 60.20 C ATOM 221 O ASP A 16 7.218 -4.628 9.201 1.00 13.14 O ATOM 222 CB ASP A 16 6.147 -7.349 10.643 1.00 61.44 C ATOM 223 CG ASP A 16 6.431 -6.586 11.931 1.00 0.31 C ATOM 224 OD1 ASP A 16 7.491 -5.927 12.027 1.00 12.21 O ATOM 225 OD2 ASP A 16 5.570 -6.657 12.838 1.00 11.43 O ATOM 0 H ASP A 16 4.764 -8.114 8.733 1.00 40.30 H new ATOM 0 HA ASP A 16 5.042 -5.612 10.006 1.00 71.01 H new ATOM 0 HB2 ASP A 16 5.403 -8.124 10.829 1.00 61.44 H new ATOM 0 HB3 ASP A 16 7.053 -7.852 10.304 1.00 61.44 H new ATOM 229 N ASP A 17 7.427 -6.404 7.850 1.00 60.41 N ATOM 230 CA ASP A 17 8.606 -5.878 7.145 1.00 60.43 C ATOM 231 C ASP A 17 8.273 -4.520 6.542 1.00 3.31 C ATOM 232 O ASP A 17 8.996 -3.534 6.691 1.00 0.43 O ATOM 233 CB ASP A 17 9.068 -6.814 6.018 1.00 61.51 C ATOM 234 CG ASP A 17 10.596 -6.855 5.937 1.00 44.03 C ATOM 235 OD1 ASP A 17 11.195 -5.968 5.287 1.00 74.44 O ATOM 236 OD2 ASP A 17 11.189 -7.784 6.532 1.00 22.12 O ATOM 0 H ASP A 17 7.101 -7.305 7.500 1.00 60.41 H new ATOM 0 HA ASP A 17 9.412 -5.794 7.874 1.00 60.43 H new ATOM 0 HB2 ASP A 17 8.682 -7.818 6.192 1.00 61.51 H new ATOM 0 HB3 ASP A 17 8.658 -6.475 5.067 1.00 61.51 H new ATOM 240 N ILE A 18 7.119 -4.474 5.882 1.00 11.42 N ATOM 241 CA ILE A 18 6.618 -3.288 5.221 1.00 3.31 C ATOM 242 C ILE A 18 6.185 -2.259 6.268 1.00 75.42 C ATOM 243 O ILE A 18 6.400 -1.071 6.039 1.00 61.44 O ATOM 244 CB ILE A 18 5.484 -3.704 4.278 1.00 33.32 C ATOM 245 CG1 ILE A 18 6.028 -4.585 3.135 1.00 12.54 C ATOM 246 CG2 ILE A 18 4.708 -2.503 3.695 1.00 75.12 C ATOM 247 CD1 ILE A 18 4.880 -5.313 2.445 1.00 2.22 C ATOM 0 H ILE A 18 6.499 -5.279 5.794 1.00 11.42 H new ATOM 0 HA ILE A 18 7.392 -2.809 4.620 1.00 3.31 H new ATOM 0 HB ILE A 18 4.778 -4.276 4.880 1.00 33.32 H new ATOM 0 HG12 ILE A 18 6.564 -3.969 2.414 1.00 12.54 H new ATOM 0 HG13 ILE A 18 6.742 -5.307 3.530 1.00 12.54 H new ATOM 0 HG21 ILE A 18 3.919 -2.865 3.036 1.00 75.12 H new ATOM 0 HG22 ILE A 18 4.266 -1.926 4.508 1.00 75.12 H new ATOM 0 HG23 ILE A 18 5.391 -1.869 3.130 1.00 75.12 H new ATOM 0 HD11 ILE A 18 5.274 -5.933 1.639 1.00 2.22 H new ATOM 0 HD12 ILE A 18 4.362 -5.944 3.168 1.00 2.22 H new ATOM 0 HD13 ILE A 18 4.182 -4.584 2.034 1.00 2.22 H new ATOM 258 N ARG A 19 5.607 -2.671 7.407 1.00 32.34 N ATOM 259 CA ARG A 19 5.229 -1.752 8.487 1.00 74.32 C ATOM 260 C ARG A 19 6.421 -0.881 8.901 1.00 53.52 C ATOM 261 O ARG A 19 6.251 0.335 9.043 1.00 13.11 O ATOM 262 CB ARG A 19 4.659 -2.513 9.688 1.00 20.32 C ATOM 263 CG ARG A 19 3.157 -2.759 9.534 1.00 41.45 C ATOM 264 CD ARG A 19 2.626 -3.620 10.678 1.00 31.10 C ATOM 265 NE ARG A 19 1.294 -3.168 11.109 1.00 63.05 N ATOM 266 CZ ARG A 19 0.330 -3.923 11.637 1.00 35.14 C ATOM 267 NH1 ARG A 19 0.517 -5.220 11.830 1.00 3.42 N ATOM 268 NH2 ARG A 19 -0.831 -3.381 11.982 1.00 23.24 N ATOM 0 H ARG A 19 5.390 -3.648 7.603 1.00 32.34 H new ATOM 0 HA ARG A 19 4.445 -1.095 8.111 1.00 74.32 H new ATOM 0 HB2 ARG A 19 5.176 -3.467 9.794 1.00 20.32 H new ATOM 0 HB3 ARG A 19 4.844 -1.946 10.600 1.00 20.32 H new ATOM 0 HG2 ARG A 19 2.628 -1.806 9.515 1.00 41.45 H new ATOM 0 HG3 ARG A 19 2.961 -3.251 8.582 1.00 41.45 H new ATOM 0 HD2 ARG A 19 2.574 -4.661 10.360 1.00 31.10 H new ATOM 0 HD3 ARG A 19 3.317 -3.578 11.520 1.00 31.10 H new ATOM 0 HE ARG A 19 1.087 -2.176 10.992 1.00 63.05 H new ATOM 0 HH11 ARG A 19 1.405 -5.651 11.574 1.00 3.42 H new ATOM 0 HH12 ARG A 19 -0.227 -5.788 12.235 1.00 3.42 H new ATOM 0 HH21 ARG A 19 -0.989 -2.383 11.844 1.00 23.24 H new ATOM 0 HH22 ARG A 19 -1.565 -3.963 12.386 1.00 23.24 H new ATOM 279 N GLY A 20 7.618 -1.459 9.020 1.00 31.23 N ATOM 280 CA GLY A 20 8.843 -0.720 9.317 1.00 73.21 C ATOM 281 C GLY A 20 9.278 0.201 8.173 1.00 40.44 C ATOM 282 O GLY A 20 9.846 1.267 8.425 1.00 20.21 O ATOM 0 H GLY A 20 7.764 -2.463 8.912 1.00 31.23 H new ATOM 0 HA2 GLY A 20 8.693 -0.125 10.218 1.00 73.21 H new ATOM 0 HA3 GLY A 20 9.644 -1.427 9.532 1.00 73.21 H new ATOM 286 N GLN A 21 8.952 -0.133 6.918 1.00 21.33 N ATOM 287 CA GLN A 21 9.207 0.690 5.747 1.00 53.00 C ATOM 288 C GLN A 21 8.258 1.886 5.705 1.00 55.11 C ATOM 289 O GLN A 21 8.340 2.642 4.743 1.00 24.43 O ATOM 290 CB GLN A 21 9.102 -0.165 4.463 1.00 12.11 C ATOM 291 CG GLN A 21 10.458 -0.635 3.924 1.00 42.02 C ATOM 292 CD GLN A 21 11.011 0.247 2.795 1.00 71.30 C ATOM 293 OE1 GLN A 21 11.409 -0.238 1.743 1.00 33.21 O ATOM 294 NE2 GLN A 21 11.089 1.557 2.957 1.00 1.13 N ATOM 0 H GLN A 21 8.489 -1.013 6.691 1.00 21.33 H new ATOM 0 HA GLN A 21 10.221 1.084 5.809 1.00 53.00 H new ATOM 0 HB2 GLN A 21 8.480 -1.037 4.667 1.00 12.11 H new ATOM 0 HB3 GLN A 21 8.595 0.415 3.691 1.00 12.11 H new ATOM 0 HG2 GLN A 21 11.177 -0.656 4.743 1.00 42.02 H new ATOM 0 HG3 GLN A 21 10.360 -1.658 3.560 1.00 42.02 H new ATOM 0 HE21 GLN A 21 10.764 1.984 3.824 1.00 1.13 H new ATOM 0 HE22 GLN A 21 11.474 2.141 2.215 1.00 1.13 H new ATOM 301 N LEU A 22 7.382 2.099 6.697 1.00 31.25 N ATOM 302 CA LEU A 22 6.562 3.294 6.810 1.00 54.13 C ATOM 303 C LEU A 22 7.071 4.162 7.948 1.00 3.44 C ATOM 304 O LEU A 22 7.241 5.370 7.766 1.00 64.10 O ATOM 305 CB LEU A 22 5.086 2.930 6.997 1.00 51.32 C ATOM 306 CG LEU A 22 4.551 2.152 5.787 1.00 3.51 C ATOM 307 CD1 LEU A 22 3.764 0.934 6.234 1.00 32.04 C ATOM 308 CD2 LEU A 22 3.686 3.072 4.952 1.00 4.52 C ATOM 0 H LEU A 22 7.227 1.430 7.451 1.00 31.25 H new ATOM 0 HA LEU A 22 6.637 3.864 5.884 1.00 54.13 H new ATOM 0 HB2 LEU A 22 4.968 2.331 7.900 1.00 51.32 H new ATOM 0 HB3 LEU A 22 4.499 3.838 7.138 1.00 51.32 H new ATOM 0 HG LEU A 22 5.389 1.799 5.186 1.00 3.51 H new ATOM 0 HD11 LEU A 22 3.395 0.398 5.359 1.00 32.04 H new ATOM 0 HD12 LEU A 22 4.410 0.277 6.816 1.00 32.04 H new ATOM 0 HD13 LEU A 22 2.921 1.251 6.848 1.00 32.04 H new ATOM 0 HD21 LEU A 22 3.302 2.527 4.090 1.00 4.52 H new ATOM 0 HD22 LEU A 22 2.852 3.433 5.554 1.00 4.52 H new ATOM 0 HD23 LEU A 22 4.280 3.919 4.610 1.00 4.52 H new ATOM 319 N GLN A 23 7.362 3.574 9.113 1.00 12.43 N ATOM 320 CA GLN A 23 7.769 4.346 10.287 1.00 21.12 C ATOM 321 C GLN A 23 8.963 5.240 9.978 1.00 3.05 C ATOM 322 O GLN A 23 8.978 6.412 10.357 1.00 51.44 O ATOM 323 CB GLN A 23 8.031 3.420 11.489 1.00 63.43 C ATOM 324 CG GLN A 23 6.760 2.768 12.070 1.00 4.11 C ATOM 325 CD GLN A 23 5.882 3.771 12.823 1.00 55.31 C ATOM 326 OE1 GLN A 23 5.876 3.845 14.049 1.00 11.31 O ATOM 327 NE2 GLN A 23 5.128 4.601 12.126 1.00 21.20 N ATOM 0 H GLN A 23 7.323 2.566 9.266 1.00 12.43 H new ATOM 0 HA GLN A 23 6.946 5.006 10.561 1.00 21.12 H new ATOM 0 HB2 GLN A 23 8.723 2.635 11.185 1.00 63.43 H new ATOM 0 HB3 GLN A 23 8.524 3.993 12.274 1.00 63.43 H new ATOM 0 HG2 GLN A 23 6.183 2.319 11.261 1.00 4.11 H new ATOM 0 HG3 GLN A 23 7.045 1.960 12.744 1.00 4.11 H new ATOM 0 HE21 GLN A 23 5.122 4.552 11.107 1.00 21.20 H new ATOM 0 HE22 GLN A 23 4.551 5.292 12.606 1.00 21.20 H new ATOM 334 N SER A 24 9.897 4.733 9.189 1.00 51.21 N ATOM 335 CA SER A 24 11.078 5.430 8.725 1.00 62.11 C ATOM 336 C SER A 24 10.814 6.691 7.890 1.00 64.52 C ATOM 337 O SER A 24 11.724 7.514 7.775 1.00 24.41 O ATOM 338 CB SER A 24 11.879 4.390 7.954 1.00 60.42 C ATOM 339 OG SER A 24 12.201 3.365 8.879 1.00 12.35 O ATOM 0 H SER A 24 9.846 3.776 8.840 1.00 51.21 H new ATOM 0 HA SER A 24 11.619 5.833 9.581 1.00 62.11 H new ATOM 0 HB2 SER A 24 11.299 3.993 7.121 1.00 60.42 H new ATOM 0 HB3 SER A 24 12.783 4.830 7.532 1.00 60.42 H new ATOM 0 HG SER A 24 11.538 2.646 8.815 1.00 12.35 H new ATOM 344 N HIS A 25 9.597 6.933 7.381 1.00 24.54 N ATOM 345 CA HIS A 25 9.275 8.162 6.650 1.00 73.14 C ATOM 346 C HIS A 25 8.278 9.029 7.425 1.00 12.42 C ATOM 347 O HIS A 25 7.942 10.129 6.985 1.00 35.33 O ATOM 348 CB HIS A 25 8.772 7.811 5.248 1.00 61.34 C ATOM 349 CG HIS A 25 9.605 6.758 4.564 1.00 4.21 C ATOM 350 ND1 HIS A 25 9.362 5.419 4.640 1.00 32.44 N flip ATOM 351 CD2 HIS A 25 10.768 6.927 3.847 1.00 2.14 C flip ATOM 352 CE1 HIS A 25 10.355 4.758 3.919 1.00 41.32 C flip ATOM 353 NE2 HIS A 25 11.200 5.704 3.485 1.00 54.23 N flip ATOM 0 H HIS A 25 8.814 6.285 7.465 1.00 24.54 H new ATOM 0 HA HIS A 25 10.180 8.760 6.545 1.00 73.14 H new ATOM 0 HB2 HIS A 25 7.741 7.462 5.316 1.00 61.34 H new ATOM 0 HB3 HIS A 25 8.764 8.713 4.636 1.00 61.34 H new ATOM 0 HD1 HIS A 25 8.589 4.978 5.138 1.00 32.44 H new ATOM 0 HD2 HIS A 25 11.246 7.868 3.617 1.00 2.14 H new ATOM 0 HE1 HIS A 25 10.429 3.695 3.745 1.00 41.32 H new ATOM 360 N GLY A 26 7.814 8.561 8.587 1.00 53.13 N ATOM 361 CA GLY A 26 6.955 9.313 9.485 1.00 54.43 C ATOM 362 C GLY A 26 5.494 8.957 9.264 1.00 24.11 C ATOM 363 O GLY A 26 4.610 9.759 9.570 1.00 64.13 O ATOM 0 H GLY A 26 8.034 7.626 8.931 1.00 53.13 H new ATOM 0 HA2 GLY A 26 7.232 9.105 10.519 1.00 54.43 H new ATOM 0 HA3 GLY A 26 7.101 10.381 9.325 1.00 54.43 H new ATOM 367 N VAL A 27 5.255 7.761 8.729 1.00 61.43 N ATOM 368 CA VAL A 27 3.972 7.187 8.393 1.00 40.42 C ATOM 369 C VAL A 27 3.753 5.859 9.109 1.00 15.50 C ATOM 370 O VAL A 27 4.690 5.110 9.381 1.00 61.11 O ATOM 371 CB VAL A 27 3.792 7.109 6.865 1.00 21.00 C ATOM 372 CG1 VAL A 27 2.982 8.328 6.416 1.00 61.33 C ATOM 373 CG2 VAL A 27 5.061 7.097 6.003 1.00 73.03 C ATOM 0 H VAL A 27 6.021 7.125 8.505 1.00 61.43 H new ATOM 0 HA VAL A 27 3.184 7.846 8.757 1.00 40.42 H new ATOM 0 HB VAL A 27 3.314 6.142 6.708 1.00 21.00 H new ATOM 0 HG11 VAL A 27 2.842 8.294 5.336 1.00 61.33 H new ATOM 0 HG12 VAL A 27 2.010 8.320 6.908 1.00 61.33 H new ATOM 0 HG13 VAL A 27 3.517 9.239 6.684 1.00 61.33 H new ATOM 0 HG21 VAL A 27 4.785 7.040 4.950 1.00 73.03 H new ATOM 0 HG22 VAL A 27 5.630 8.010 6.180 1.00 73.03 H new ATOM 0 HG23 VAL A 27 5.671 6.233 6.266 1.00 73.03 H new ATOM 383 N GLN A 28 2.496 5.552 9.418 1.00 55.22 N ATOM 384 CA GLN A 28 2.131 4.404 10.232 1.00 74.13 C ATOM 385 C GLN A 28 1.639 3.231 9.384 1.00 13.43 C ATOM 386 O GLN A 28 1.906 2.088 9.735 1.00 74.23 O ATOM 387 CB GLN A 28 1.129 4.835 11.319 1.00 31.30 C ATOM 388 CG GLN A 28 -0.341 5.013 10.903 1.00 73.21 C ATOM 389 CD GLN A 28 -0.671 6.187 9.982 1.00 1.42 C ATOM 390 OE1 GLN A 28 -0.168 6.306 8.865 1.00 31.13 O ATOM 391 NE2 GLN A 28 -1.571 7.059 10.394 1.00 41.43 N ATOM 0 H GLN A 28 1.696 6.102 9.105 1.00 55.22 H new ATOM 0 HA GLN A 28 3.022 4.031 10.737 1.00 74.13 H new ATOM 0 HB2 GLN A 28 1.164 4.097 12.120 1.00 31.30 H new ATOM 0 HB3 GLN A 28 1.476 5.779 11.740 1.00 31.30 H new ATOM 0 HG2 GLN A 28 -0.666 4.096 10.411 1.00 73.21 H new ATOM 0 HG3 GLN A 28 -0.938 5.117 11.809 1.00 73.21 H new ATOM 0 HE21 GLN A 28 -1.989 6.962 11.319 1.00 41.43 H new ATOM 0 HE22 GLN A 28 -1.849 7.830 9.787 1.00 41.43 H new ATOM 398 N ALA A 29 0.982 3.507 8.253 1.00 35.24 N ATOM 399 CA ALA A 29 -0.019 2.647 7.625 1.00 20.11 C ATOM 400 C ALA A 29 -1.146 2.311 8.599 1.00 11.54 C ATOM 401 O ALA A 29 -0.985 1.459 9.471 1.00 42.43 O ATOM 402 CB ALA A 29 0.534 1.372 7.001 1.00 41.42 C ATOM 0 H ALA A 29 1.141 4.369 7.732 1.00 35.24 H new ATOM 0 HA ALA A 29 -0.409 3.237 6.796 1.00 20.11 H new ATOM 0 HB1 ALA A 29 -0.282 0.799 6.560 1.00 41.42 H new ATOM 0 HB2 ALA A 29 1.256 1.630 6.226 1.00 41.42 H new ATOM 0 HB3 ALA A 29 1.024 0.774 7.769 1.00 41.42 H new ATOM 408 N ARG A 30 -2.276 3.014 8.489 1.00 44.21 N ATOM 409 CA ARG A 30 -3.373 2.845 9.436 1.00 34.13 C ATOM 410 C ARG A 30 -4.080 1.513 9.192 1.00 55.42 C ATOM 411 O ARG A 30 -4.461 0.846 10.154 1.00 11.43 O ATOM 412 CB ARG A 30 -4.318 4.051 9.345 1.00 15.24 C ATOM 413 CG ARG A 30 -5.374 4.074 10.463 1.00 43.24 C ATOM 414 CD ARG A 30 -6.789 3.768 9.958 1.00 22.13 C ATOM 415 NE ARG A 30 -7.744 3.835 11.073 1.00 42.44 N ATOM 416 CZ ARG A 30 -8.215 2.810 11.790 1.00 31.32 C ATOM 417 NH1 ARG A 30 -8.022 1.539 11.435 1.00 52.41 N ATOM 418 NH2 ARG A 30 -8.886 3.079 12.903 1.00 53.45 N ATOM 0 H ARG A 30 -2.452 3.702 7.756 1.00 44.21 H new ATOM 0 HA ARG A 30 -2.989 2.810 10.456 1.00 34.13 H new ATOM 0 HB2 ARG A 30 -3.732 4.969 9.388 1.00 15.24 H new ATOM 0 HB3 ARG A 30 -4.821 4.039 8.378 1.00 15.24 H new ATOM 0 HG2 ARG A 30 -5.102 3.346 11.227 1.00 43.24 H new ATOM 0 HG3 ARG A 30 -5.369 5.054 10.940 1.00 43.24 H new ATOM 0 HD2 ARG A 30 -7.070 4.482 9.184 1.00 22.13 H new ATOM 0 HD3 ARG A 30 -6.816 2.778 9.504 1.00 22.13 H new ATOM 0 HE ARG A 30 -8.084 4.763 11.327 1.00 42.44 H new ATOM 0 HH11 ARG A 30 -7.498 1.320 10.588 1.00 52.41 H new ATOM 0 HH12 ARG A 30 -8.399 0.786 12.011 1.00 52.41 H new ATOM 0 HH21 ARG A 30 -9.030 4.047 13.190 1.00 53.45 H new ATOM 0 HH22 ARG A 30 -9.258 2.318 13.471 1.00 53.45 H new ATOM 429 N GLU A 31 -4.218 1.103 7.933 1.00 73.11 N ATOM 430 CA GLU A 31 -4.716 -0.199 7.512 1.00 43.22 C ATOM 431 C GLU A 31 -3.760 -0.712 6.426 1.00 61.11 C ATOM 432 O GLU A 31 -3.068 0.084 5.794 1.00 44.43 O ATOM 433 CB GLU A 31 -6.152 -0.035 6.978 1.00 35.10 C ATOM 434 CG GLU A 31 -7.039 -1.262 7.220 1.00 74.35 C ATOM 435 CD GLU A 31 -7.404 -1.468 8.694 1.00 23.30 C ATOM 436 OE1 GLU A 31 -7.610 -0.493 9.448 1.00 60.01 O ATOM 437 OE2 GLU A 31 -7.495 -2.639 9.134 1.00 72.15 O ATOM 0 H GLU A 31 -3.973 1.700 7.143 1.00 73.11 H new ATOM 0 HA GLU A 31 -4.751 -0.915 8.333 1.00 43.22 H new ATOM 0 HB2 GLU A 31 -6.610 0.833 7.451 1.00 35.10 H new ATOM 0 HB3 GLU A 31 -6.112 0.169 5.908 1.00 35.10 H new ATOM 0 HG2 GLU A 31 -7.955 -1.160 6.638 1.00 74.35 H new ATOM 0 HG3 GLU A 31 -6.525 -2.151 6.853 1.00 74.35 H new ATOM 442 N VAL A 32 -3.709 -2.022 6.173 1.00 13.53 N ATOM 443 CA VAL A 32 -2.825 -2.651 5.193 1.00 33.20 C ATOM 444 C VAL A 32 -3.306 -4.081 4.924 1.00 3.10 C ATOM 445 O VAL A 32 -4.079 -4.643 5.697 1.00 2.42 O ATOM 446 CB VAL A 32 -1.325 -2.462 5.568 1.00 35.30 C ATOM 447 CG1 VAL A 32 -1.015 -2.677 7.053 1.00 60.41 C ATOM 448 CG2 VAL A 32 -0.345 -3.317 4.747 1.00 52.31 C ATOM 0 H VAL A 32 -4.301 -2.694 6.661 1.00 13.53 H new ATOM 0 HA VAL A 32 -2.883 -2.150 4.227 1.00 33.20 H new ATOM 0 HB VAL A 32 -1.167 -1.413 5.318 1.00 35.30 H new ATOM 0 HG11 VAL A 32 0.050 -2.526 7.228 1.00 60.41 H new ATOM 0 HG12 VAL A 32 -1.585 -1.965 7.650 1.00 60.41 H new ATOM 0 HG13 VAL A 32 -1.289 -3.692 7.339 1.00 60.41 H new ATOM 0 HG21 VAL A 32 0.675 -3.119 5.077 1.00 52.31 H new ATOM 0 HG22 VAL A 32 -0.575 -4.373 4.891 1.00 52.31 H new ATOM 0 HG23 VAL A 32 -0.440 -3.065 3.691 1.00 52.31 H new ATOM 458 N ARG A 33 -2.945 -4.588 3.742 1.00 34.12 N ATOM 459 CA ARG A 33 -3.303 -5.867 3.145 1.00 51.34 C ATOM 460 C ARG A 33 -2.062 -6.378 2.405 1.00 41.12 C ATOM 461 O ARG A 33 -1.910 -6.145 1.200 1.00 72.45 O ATOM 462 CB ARG A 33 -4.609 -5.794 2.299 1.00 2.10 C ATOM 463 CG ARG A 33 -5.016 -4.430 1.744 1.00 41.33 C ATOM 464 CD ARG A 33 -5.910 -3.560 2.637 1.00 63.02 C ATOM 465 NE ARG A 33 -7.317 -3.992 2.637 1.00 4.53 N ATOM 466 CZ ARG A 33 -8.310 -3.368 3.285 1.00 41.54 C ATOM 467 NH1 ARG A 33 -8.078 -2.262 3.986 1.00 12.13 N ATOM 468 NH2 ARG A 33 -9.540 -3.857 3.246 1.00 24.30 N ATOM 0 H ARG A 33 -2.334 -4.056 3.122 1.00 34.12 H new ATOM 0 HA ARG A 33 -3.572 -6.599 3.907 1.00 51.34 H new ATOM 0 HB2 ARG A 33 -4.504 -6.481 1.459 1.00 2.10 H new ATOM 0 HB3 ARG A 33 -5.429 -6.165 2.914 1.00 2.10 H new ATOM 0 HG2 ARG A 33 -4.108 -3.869 1.522 1.00 41.33 H new ATOM 0 HG3 ARG A 33 -5.532 -4.589 0.797 1.00 41.33 H new ATOM 0 HD2 ARG A 33 -5.528 -3.584 3.658 1.00 63.02 H new ATOM 0 HD3 ARG A 33 -5.853 -2.525 2.300 1.00 63.02 H new ATOM 0 HE ARG A 33 -7.554 -4.829 2.104 1.00 4.53 H new ATOM 0 HH11 ARG A 33 -7.134 -1.878 4.035 1.00 12.13 H new ATOM 0 HH12 ARG A 33 -8.844 -1.798 4.474 1.00 12.13 H new ATOM 0 HH21 ARG A 33 -9.733 -4.710 2.722 1.00 24.30 H new ATOM 0 HH22 ARG A 33 -10.294 -3.380 3.740 1.00 24.30 H new ATOM 479 N LEU A 34 -1.115 -6.992 3.134 1.00 63.34 N ATOM 480 CA LEU A 34 0.034 -7.680 2.557 1.00 34.00 C ATOM 481 C LEU A 34 -0.434 -8.982 1.893 1.00 33.34 C ATOM 482 O LEU A 34 -1.530 -9.093 1.357 1.00 62.24 O ATOM 483 CB LEU A 34 1.116 -7.853 3.652 1.00 44.55 C ATOM 484 CG LEU A 34 2.560 -8.236 3.236 1.00 31.34 C ATOM 485 CD1 LEU A 34 2.976 -9.696 3.460 1.00 41.20 C ATOM 486 CD2 LEU A 34 2.929 -7.841 1.812 1.00 62.22 C ATOM 0 H LEU A 34 -1.134 -7.020 4.153 1.00 63.34 H new ATOM 0 HA LEU A 34 0.502 -7.100 1.762 1.00 34.00 H new ATOM 0 HB2 LEU A 34 1.172 -6.917 4.208 1.00 44.55 H new ATOM 0 HB3 LEU A 34 0.762 -8.615 4.346 1.00 44.55 H new ATOM 0 HG LEU A 34 3.128 -7.631 3.943 1.00 31.34 H new ATOM 0 HD11 LEU A 34 4.005 -9.836 3.130 1.00 41.20 H new ATOM 0 HD12 LEU A 34 2.899 -9.938 4.520 1.00 41.20 H new ATOM 0 HD13 LEU A 34 2.319 -10.353 2.890 1.00 41.20 H new ATOM 0 HD21 LEU A 34 3.955 -8.146 1.604 1.00 62.22 H new ATOM 0 HD22 LEU A 34 2.255 -8.334 1.111 1.00 62.22 H new ATOM 0 HD23 LEU A 34 2.842 -6.760 1.700 1.00 62.22 H new ATOM 497 N MET A 35 0.452 -9.952 1.793 1.00 51.23 N ATOM 498 CA MET A 35 0.208 -11.334 1.429 1.00 54.21 C ATOM 499 C MET A 35 0.051 -12.100 2.761 1.00 13.44 C ATOM 500 O MET A 35 -0.175 -11.480 3.795 1.00 1.30 O ATOM 501 CB MET A 35 1.355 -11.803 0.499 1.00 64.25 C ATOM 502 CG MET A 35 1.675 -10.776 -0.619 1.00 43.24 C ATOM 503 SD MET A 35 1.919 -11.370 -2.325 1.00 11.13 S ATOM 504 CE MET A 35 3.687 -11.743 -2.311 1.00 31.04 C ATOM 0 H MET A 35 1.440 -9.781 1.979 1.00 51.23 H new ATOM 0 HA MET A 35 -0.700 -11.508 0.852 1.00 54.21 H new ATOM 0 HB2 MET A 35 2.251 -11.978 1.094 1.00 64.25 H new ATOM 0 HB3 MET A 35 1.083 -12.756 0.045 1.00 64.25 H new ATOM 0 HG2 MET A 35 0.865 -10.047 -0.638 1.00 43.24 H new ATOM 0 HG3 MET A 35 2.578 -10.241 -0.325 1.00 43.24 H new ATOM 0 HE1 MET A 35 3.882 -12.603 -2.951 1.00 31.04 H new ATOM 0 HE2 MET A 35 4.243 -10.882 -2.681 1.00 31.04 H new ATOM 0 HE3 MET A 35 4.003 -11.969 -1.293 1.00 31.04 H new ATOM 512 N ARG A 36 0.126 -13.433 2.763 1.00 21.43 N ATOM 513 CA ARG A 36 0.259 -14.330 3.938 1.00 73.33 C ATOM 514 C ARG A 36 -0.945 -14.425 4.868 1.00 60.31 C ATOM 515 O ARG A 36 -0.932 -15.208 5.819 1.00 33.01 O ATOM 516 CB ARG A 36 1.489 -13.932 4.767 1.00 11.54 C ATOM 517 CG ARG A 36 2.746 -14.357 4.038 1.00 63.00 C ATOM 518 CD ARG A 36 3.982 -13.649 4.590 1.00 31.43 C ATOM 519 NE ARG A 36 4.192 -13.861 6.035 1.00 23.24 N ATOM 520 CZ ARG A 36 4.806 -14.906 6.607 1.00 64.01 C ATOM 521 NH1 ARG A 36 5.121 -15.969 5.875 1.00 4.54 N ATOM 522 NH2 ARG A 36 5.102 -14.910 7.903 1.00 14.35 N ATOM 0 H ARG A 36 0.094 -13.960 1.890 1.00 21.43 H new ATOM 0 HA ARG A 36 0.356 -15.321 3.495 1.00 73.33 H new ATOM 0 HB2 ARG A 36 1.497 -12.854 4.931 1.00 11.54 H new ATOM 0 HB3 ARG A 36 1.448 -14.404 5.749 1.00 11.54 H new ATOM 0 HG2 ARG A 36 2.873 -15.436 4.129 1.00 63.00 H new ATOM 0 HG3 ARG A 36 2.644 -14.136 2.976 1.00 63.00 H new ATOM 0 HD2 ARG A 36 4.862 -13.998 4.049 1.00 31.43 H new ATOM 0 HD3 ARG A 36 3.893 -12.580 4.398 1.00 31.43 H new ATOM 0 HE ARG A 36 3.834 -13.140 6.661 1.00 23.24 H new ATOM 0 HH11 ARG A 36 4.896 -15.988 4.880 1.00 4.54 H new ATOM 0 HH12 ARG A 36 5.588 -16.766 6.308 1.00 4.54 H new ATOM 0 HH21 ARG A 36 4.861 -14.107 8.484 1.00 14.35 H new ATOM 0 HH22 ARG A 36 5.570 -15.717 8.317 1.00 14.35 H new ATOM 533 N ASN A 37 -1.969 -13.632 4.619 1.00 13.42 N ATOM 534 CA ASN A 37 -2.998 -13.331 5.611 1.00 75.23 C ATOM 535 C ASN A 37 -3.912 -14.506 5.918 1.00 63.21 C ATOM 536 O ASN A 37 -4.458 -14.553 7.012 1.00 41.51 O ATOM 537 CB ASN A 37 -3.820 -12.124 5.150 1.00 35.11 C ATOM 538 CG ASN A 37 -4.245 -11.284 6.347 1.00 40.13 C ATOM 539 OD1 ASN A 37 -3.398 -10.820 7.104 1.00 43.21 O ATOM 540 ND2 ASN A 37 -5.522 -11.021 6.537 1.00 52.31 N ATOM 0 H ASN A 37 -2.117 -13.173 3.720 1.00 13.42 H new ATOM 0 HA ASN A 37 -2.479 -13.103 6.542 1.00 75.23 H new ATOM 0 HB2 ASN A 37 -3.232 -11.517 4.462 1.00 35.11 H new ATOM 0 HB3 ASN A 37 -4.701 -12.463 4.604 1.00 35.11 H new ATOM 0 HD21 ASN A 37 -5.810 -10.429 7.316 1.00 52.31 H new ATOM 0 HD22 ASN A 37 -6.222 -11.409 5.905 1.00 52.31 H new ATOM 546 N LYS A 38 -4.092 -15.437 4.977 1.00 24.33 N ATOM 547 CA LYS A 38 -5.050 -16.549 4.923 1.00 20.34 C ATOM 548 C LYS A 38 -6.518 -16.264 5.252 1.00 32.11 C ATOM 549 O LYS A 38 -7.369 -17.042 4.825 1.00 51.21 O ATOM 550 CB LYS A 38 -4.536 -17.819 5.618 1.00 35.01 C ATOM 551 CG LYS A 38 -4.296 -17.816 7.137 1.00 31.03 C ATOM 552 CD LYS A 38 -2.841 -17.516 7.535 1.00 33.04 C ATOM 553 CE LYS A 38 -2.569 -18.077 8.937 1.00 44.24 C ATOM 554 NZ LYS A 38 -1.195 -17.790 9.396 1.00 22.30 N ATOM 0 H LYS A 38 -3.506 -15.430 4.142 1.00 24.33 H new ATOM 0 HA LYS A 38 -5.093 -16.727 3.848 1.00 20.34 H new ATOM 0 HB2 LYS A 38 -5.246 -18.617 5.403 1.00 35.01 H new ATOM 0 HB3 LYS A 38 -3.595 -18.092 5.141 1.00 35.01 H new ATOM 0 HG2 LYS A 38 -4.949 -17.074 7.597 1.00 31.03 H new ATOM 0 HG3 LYS A 38 -4.581 -18.787 7.542 1.00 31.03 H new ATOM 0 HD2 LYS A 38 -2.156 -17.962 6.814 1.00 33.04 H new ATOM 0 HD3 LYS A 38 -2.663 -16.441 7.521 1.00 33.04 H new ATOM 0 HE2 LYS A 38 -3.282 -17.650 9.642 1.00 44.24 H new ATOM 0 HE3 LYS A 38 -2.731 -19.155 8.933 1.00 44.24 H new ATOM 0 HZ1 LYS A 38 -1.057 -18.187 10.347 1.00 22.30 H new ATOM 0 HZ2 LYS A 38 -0.513 -18.219 8.739 1.00 22.30 H new ATOM 0 HZ3 LYS A 38 -1.047 -16.761 9.426 1.00 22.30 H new ATOM 564 N SER A 39 -6.853 -15.141 5.870 1.00 74.11 N ATOM 565 CA SER A 39 -8.157 -14.888 6.455 1.00 35.04 C ATOM 566 C SER A 39 -9.036 -13.952 5.619 1.00 15.44 C ATOM 567 O SER A 39 -10.206 -13.734 5.953 1.00 1.13 O ATOM 568 CB SER A 39 -7.894 -14.327 7.851 1.00 75.13 C ATOM 569 OG SER A 39 -7.189 -13.107 7.787 1.00 54.22 O ATOM 0 H SER A 39 -6.206 -14.360 5.980 1.00 74.11 H new ATOM 0 HA SER A 39 -8.730 -15.815 6.495 1.00 35.04 H new ATOM 0 HB2 SER A 39 -8.841 -14.176 8.369 1.00 75.13 H new ATOM 0 HB3 SER A 39 -7.323 -15.050 8.434 1.00 75.13 H new ATOM 0 HG SER A 39 -6.234 -13.287 7.661 1.00 54.22 H new ATOM 574 N SER A 40 -8.482 -13.382 4.545 1.00 60.14 N ATOM 575 CA SER A 40 -9.196 -12.445 3.680 1.00 15.21 C ATOM 576 C SER A 40 -8.799 -12.506 2.201 1.00 33.43 C ATOM 577 O SER A 40 -9.438 -11.865 1.368 1.00 0.52 O ATOM 578 CB SER A 40 -9.075 -11.032 4.256 1.00 23.13 C ATOM 579 OG SER A 40 -7.773 -10.717 4.720 1.00 74.14 O ATOM 0 H SER A 40 -7.521 -13.560 4.252 1.00 60.14 H new ATOM 0 HA SER A 40 -10.242 -12.751 3.676 1.00 15.21 H new ATOM 0 HB2 SER A 40 -9.363 -10.311 3.491 1.00 23.13 H new ATOM 0 HB3 SER A 40 -9.781 -10.923 5.079 1.00 23.13 H new ATOM 0 HG SER A 40 -7.764 -9.803 5.073 1.00 74.14 H new ATOM 584 N GLY A 41 -7.764 -13.262 1.820 1.00 21.33 N ATOM 585 CA GLY A 41 -7.511 -13.530 0.405 1.00 14.10 C ATOM 586 C GLY A 41 -6.734 -12.390 -0.231 1.00 23.40 C ATOM 587 O GLY A 41 -6.851 -12.106 -1.425 1.00 41.23 O ATOM 0 H GLY A 41 -7.098 -13.692 2.462 1.00 21.33 H new ATOM 0 HA2 GLY A 41 -6.951 -14.460 0.301 1.00 14.10 H new ATOM 0 HA3 GLY A 41 -8.457 -13.667 -0.118 1.00 14.10 H new ATOM 591 N GLN A 42 -5.953 -11.713 0.606 1.00 42.44 N ATOM 592 CA GLN A 42 -4.892 -10.800 0.235 1.00 12.10 C ATOM 593 C GLN A 42 -3.828 -11.557 -0.591 1.00 20.33 C ATOM 594 O GLN A 42 -3.949 -12.766 -0.772 1.00 60.32 O ATOM 595 CB GLN A 42 -4.311 -10.199 1.531 1.00 61.24 C ATOM 596 CG GLN A 42 -5.297 -9.853 2.665 1.00 2.14 C ATOM 597 CD GLN A 42 -4.621 -9.066 3.797 1.00 53.15 C ATOM 598 OE1 GLN A 42 -3.404 -9.097 3.953 1.00 23.40 O ATOM 599 NE2 GLN A 42 -5.372 -8.377 4.638 1.00 73.23 N ATOM 0 H GLN A 42 -6.055 -11.796 1.618 1.00 42.44 H new ATOM 0 HA GLN A 42 -5.262 -9.987 -0.390 1.00 12.10 H new ATOM 0 HB2 GLN A 42 -3.577 -10.901 1.927 1.00 61.24 H new ATOM 0 HB3 GLN A 42 -3.771 -9.290 1.267 1.00 61.24 H new ATOM 0 HG2 GLN A 42 -6.123 -9.268 2.261 1.00 2.14 H new ATOM 0 HG3 GLN A 42 -5.723 -10.772 3.067 1.00 2.14 H new ATOM 0 HE21 GLN A 42 -6.384 -8.348 4.512 1.00 73.23 H new ATOM 0 HE22 GLN A 42 -4.940 -7.874 5.413 1.00 73.23 H new ATOM 606 N SER A 43 -2.698 -10.917 -0.913 1.00 62.44 N ATOM 607 CA SER A 43 -1.672 -11.333 -1.882 1.00 32.42 C ATOM 608 C SER A 43 -2.111 -11.078 -3.322 1.00 23.20 C ATOM 609 O SER A 43 -3.269 -11.300 -3.675 1.00 72.22 O ATOM 610 CB SER A 43 -1.200 -12.800 -1.696 1.00 64.41 C ATOM 611 OG SER A 43 -1.838 -13.748 -2.532 1.00 20.03 O ATOM 0 H SER A 43 -2.457 -10.029 -0.472 1.00 62.44 H new ATOM 0 HA SER A 43 -0.807 -10.704 -1.673 1.00 32.42 H new ATOM 0 HB2 SER A 43 -0.126 -12.845 -1.876 1.00 64.41 H new ATOM 0 HB3 SER A 43 -1.362 -13.088 -0.657 1.00 64.41 H new ATOM 0 HG SER A 43 -2.783 -13.822 -2.282 1.00 20.03 H new ATOM 616 N ARG A 44 -1.185 -10.565 -4.138 1.00 63.32 N ATOM 617 CA ARG A 44 -1.220 -10.494 -5.605 1.00 1.32 C ATOM 618 C ARG A 44 0.152 -10.105 -6.198 1.00 33.30 C ATOM 619 O ARG A 44 0.207 -9.667 -7.340 1.00 61.14 O ATOM 620 CB ARG A 44 -2.366 -9.553 -6.059 1.00 60.34 C ATOM 621 CG ARG A 44 -3.644 -10.317 -6.473 1.00 12.41 C ATOM 622 CD ARG A 44 -4.916 -9.738 -5.838 1.00 3.34 C ATOM 623 NE ARG A 44 -6.084 -10.599 -6.103 1.00 75.21 N ATOM 624 CZ ARG A 44 -7.257 -10.260 -6.653 1.00 15.54 C ATOM 625 NH1 ARG A 44 -7.536 -9.014 -7.013 1.00 11.41 N ATOM 626 NH2 ARG A 44 -8.173 -11.183 -6.878 1.00 41.44 N ATOM 0 H ARG A 44 -0.328 -10.158 -3.764 1.00 63.32 H new ATOM 0 HA ARG A 44 -1.432 -11.488 -6.000 1.00 1.32 H new ATOM 0 HB2 ARG A 44 -2.607 -8.865 -5.249 1.00 60.34 H new ATOM 0 HB3 ARG A 44 -2.022 -8.949 -6.899 1.00 60.34 H new ATOM 0 HG2 ARG A 44 -3.741 -10.291 -7.558 1.00 12.41 H new ATOM 0 HG3 ARG A 44 -3.545 -11.364 -6.186 1.00 12.41 H new ATOM 0 HD2 ARG A 44 -4.774 -9.634 -4.762 1.00 3.34 H new ATOM 0 HD3 ARG A 44 -5.100 -8.739 -6.233 1.00 3.34 H new ATOM 0 HE ARG A 44 -5.986 -11.578 -5.833 1.00 75.21 H new ATOM 0 HH11 ARG A 44 -6.846 -8.276 -6.874 1.00 11.41 H new ATOM 0 HH12 ARG A 44 -8.441 -8.794 -7.429 1.00 11.41 H new ATOM 0 HH21 ARG A 44 -7.988 -12.156 -6.633 1.00 41.44 H new ATOM 0 HH22 ARG A 44 -9.066 -10.924 -7.297 1.00 41.44 H new ATOM 637 N GLY A 45 1.261 -10.189 -5.444 1.00 54.52 N ATOM 638 CA GLY A 45 2.530 -9.626 -5.877 1.00 75.11 C ATOM 639 C GLY A 45 2.542 -8.114 -5.685 1.00 2.13 C ATOM 640 O GLY A 45 3.510 -7.469 -6.085 1.00 2.50 O ATOM 0 H GLY A 45 1.294 -10.644 -4.532 1.00 54.52 H new ATOM 0 HA2 GLY A 45 3.345 -10.076 -5.311 1.00 75.11 H new ATOM 0 HA3 GLY A 45 2.701 -9.866 -6.927 1.00 75.11 H new ATOM 644 N PHE A 46 1.527 -7.560 -5.019 1.00 55.24 N ATOM 645 CA PHE A 46 1.555 -6.242 -4.433 1.00 64.15 C ATOM 646 C PHE A 46 0.965 -6.292 -3.033 1.00 43.43 C ATOM 647 O PHE A 46 0.349 -7.285 -2.626 1.00 31.03 O ATOM 648 CB PHE A 46 0.835 -5.221 -5.335 1.00 32.11 C ATOM 649 CG PHE A 46 -0.536 -5.606 -5.860 1.00 33.21 C ATOM 650 CD1 PHE A 46 -1.627 -5.795 -4.988 1.00 63.43 C ATOM 651 CD2 PHE A 46 -0.722 -5.756 -7.247 1.00 20.02 C ATOM 652 CE1 PHE A 46 -2.877 -6.182 -5.500 1.00 33.42 C ATOM 653 CE2 PHE A 46 -1.968 -6.149 -7.758 1.00 4.40 C ATOM 654 CZ PHE A 46 -3.042 -6.367 -6.883 1.00 22.43 C ATOM 0 H PHE A 46 0.640 -8.042 -4.875 1.00 55.24 H new ATOM 0 HA PHE A 46 2.589 -5.907 -4.350 1.00 64.15 H new ATOM 0 HB2 PHE A 46 0.734 -4.290 -4.778 1.00 32.11 H new ATOM 0 HB3 PHE A 46 1.478 -5.013 -6.190 1.00 32.11 H new ATOM 0 HD1 PHE A 46 -1.502 -5.642 -3.926 1.00 63.43 H new ATOM 0 HD2 PHE A 46 0.100 -5.567 -7.922 1.00 20.02 H new ATOM 0 HE1 PHE A 46 -3.710 -6.337 -4.831 1.00 33.42 H new ATOM 0 HE2 PHE A 46 -2.100 -6.283 -8.822 1.00 4.40 H new ATOM 0 HZ PHE A 46 -4.000 -6.678 -7.274 1.00 22.43 H new ATOM 663 N ALA A 47 1.139 -5.189 -2.315 1.00 42.44 N ATOM 664 CA ALA A 47 0.473 -4.874 -1.070 1.00 14.23 C ATOM 665 C ALA A 47 -0.349 -3.626 -1.319 1.00 24.02 C ATOM 666 O ALA A 47 -0.062 -2.864 -2.244 1.00 53.41 O ATOM 667 CB ALA A 47 1.493 -4.615 0.038 1.00 34.43 C ATOM 0 H ALA A 47 1.784 -4.455 -2.607 1.00 42.44 H new ATOM 0 HA ALA A 47 -0.154 -5.705 -0.749 1.00 14.23 H new ATOM 0 HB1 ALA A 47 0.971 -4.380 0.966 1.00 34.43 H new ATOM 0 HB2 ALA A 47 2.107 -5.504 0.182 1.00 34.43 H new ATOM 0 HB3 ALA A 47 2.130 -3.776 -0.243 1.00 34.43 H new ATOM 673 N PHE A 48 -1.333 -3.421 -0.463 1.00 22.20 N ATOM 674 CA PHE A 48 -2.229 -2.288 -0.455 1.00 33.03 C ATOM 675 C PHE A 48 -2.139 -1.721 0.958 1.00 64.22 C ATOM 676 O PHE A 48 -2.192 -2.485 1.923 1.00 71.34 O ATOM 677 CB PHE A 48 -3.634 -2.794 -0.810 1.00 54.53 C ATOM 678 CG PHE A 48 -4.062 -2.532 -2.236 1.00 20.04 C ATOM 679 CD1 PHE A 48 -4.619 -1.290 -2.566 1.00 44.13 C ATOM 680 CD2 PHE A 48 -3.952 -3.531 -3.217 1.00 73.11 C ATOM 681 CE1 PHE A 48 -5.057 -1.026 -3.875 1.00 23.13 C ATOM 682 CE2 PHE A 48 -4.390 -3.269 -4.530 1.00 4.22 C ATOM 683 CZ PHE A 48 -4.939 -2.018 -4.859 1.00 42.15 C ATOM 0 H PHE A 48 -1.537 -4.081 0.287 1.00 22.20 H new ATOM 0 HA PHE A 48 -1.982 -1.510 -1.178 1.00 33.03 H new ATOM 0 HB2 PHE A 48 -3.676 -3.867 -0.625 1.00 54.53 H new ATOM 0 HB3 PHE A 48 -4.354 -2.326 -0.138 1.00 54.53 H new ATOM 0 HD1 PHE A 48 -4.713 -0.528 -1.807 1.00 44.13 H new ATOM 0 HD2 PHE A 48 -3.534 -4.495 -2.966 1.00 73.11 H new ATOM 0 HE1 PHE A 48 -5.482 -0.064 -4.122 1.00 23.13 H new ATOM 0 HE2 PHE A 48 -4.303 -4.034 -5.288 1.00 4.22 H new ATOM 0 HZ PHE A 48 -5.270 -1.821 -5.868 1.00 42.15 H new ATOM 692 N VAL A 49 -1.932 -0.416 1.092 1.00 23.34 N ATOM 693 CA VAL A 49 -1.585 0.219 2.356 1.00 23.20 C ATOM 694 C VAL A 49 -2.439 1.482 2.439 1.00 1.53 C ATOM 695 O VAL A 49 -2.371 2.307 1.526 1.00 51.12 O ATOM 696 CB VAL A 49 -0.063 0.493 2.382 1.00 2.42 C ATOM 697 CG1 VAL A 49 0.382 0.894 3.783 1.00 33.33 C ATOM 698 CG2 VAL A 49 0.787 -0.726 1.983 1.00 41.44 C ATOM 0 H VAL A 49 -2.002 0.239 0.314 1.00 23.34 H new ATOM 0 HA VAL A 49 -1.789 -0.403 3.228 1.00 23.20 H new ATOM 0 HB VAL A 49 0.095 1.290 1.656 1.00 2.42 H new ATOM 0 HG11 VAL A 49 1.455 1.083 3.784 1.00 33.33 H new ATOM 0 HG12 VAL A 49 -0.146 1.798 4.088 1.00 33.33 H new ATOM 0 HG13 VAL A 49 0.155 0.088 4.481 1.00 33.33 H new ATOM 0 HG21 VAL A 49 1.844 -0.462 2.023 1.00 41.44 H new ATOM 0 HG22 VAL A 49 0.592 -1.547 2.673 1.00 41.44 H new ATOM 0 HG23 VAL A 49 0.528 -1.034 0.970 1.00 41.44 H new ATOM 708 N GLU A 50 -3.291 1.605 3.464 1.00 71.03 N ATOM 709 CA GLU A 50 -4.302 2.652 3.559 1.00 74.35 C ATOM 710 C GLU A 50 -3.974 3.614 4.696 1.00 12.23 C ATOM 711 O GLU A 50 -3.893 3.231 5.869 1.00 62.32 O ATOM 712 CB GLU A 50 -5.711 2.051 3.728 1.00 60.32 C ATOM 713 CG GLU A 50 -6.722 2.759 2.815 1.00 42.32 C ATOM 714 CD GLU A 50 -8.008 3.197 3.512 1.00 71.21 C ATOM 715 OE1 GLU A 50 -7.934 4.152 4.313 1.00 1.20 O ATOM 716 OE2 GLU A 50 -9.100 2.632 3.254 1.00 20.24 O ATOM 0 H GLU A 50 -3.293 0.968 4.260 1.00 71.03 H new ATOM 0 HA GLU A 50 -4.295 3.215 2.626 1.00 74.35 H new ATOM 0 HB2 GLU A 50 -5.687 0.987 3.494 1.00 60.32 H new ATOM 0 HB3 GLU A 50 -6.027 2.142 4.767 1.00 60.32 H new ATOM 0 HG2 GLU A 50 -6.245 3.636 2.377 1.00 42.32 H new ATOM 0 HG3 GLU A 50 -6.979 2.091 1.993 1.00 42.32 H new ATOM 721 N PHE A 51 -3.774 4.878 4.346 1.00 34.10 N ATOM 722 CA PHE A 51 -3.322 5.915 5.263 1.00 61.31 C ATOM 723 C PHE A 51 -4.520 6.679 5.817 1.00 44.11 C ATOM 724 O PHE A 51 -5.563 6.748 5.169 1.00 11.44 O ATOM 725 CB PHE A 51 -2.393 6.858 4.495 1.00 53.13 C ATOM 726 CG PHE A 51 -1.010 6.334 4.142 1.00 3.43 C ATOM 727 CD1 PHE A 51 -0.632 4.975 4.203 1.00 4.24 C ATOM 728 CD2 PHE A 51 -0.064 7.283 3.741 1.00 24.01 C ATOM 729 CE1 PHE A 51 0.689 4.596 3.907 1.00 53.33 C ATOM 730 CE2 PHE A 51 1.264 6.910 3.476 1.00 4.42 C ATOM 731 CZ PHE A 51 1.645 5.566 3.572 1.00 15.31 C ATOM 0 H PHE A 51 -3.925 5.218 3.396 1.00 34.10 H new ATOM 0 HA PHE A 51 -2.787 5.472 6.103 1.00 61.31 H new ATOM 0 HB2 PHE A 51 -2.892 7.145 3.569 1.00 53.13 H new ATOM 0 HB3 PHE A 51 -2.270 7.766 5.085 1.00 53.13 H new ATOM 0 HD1 PHE A 51 -1.359 4.225 4.478 1.00 4.24 H new ATOM 0 HD2 PHE A 51 -0.359 8.316 3.634 1.00 24.01 H new ATOM 0 HE1 PHE A 51 0.969 3.553 3.938 1.00 53.33 H new ATOM 0 HE2 PHE A 51 1.991 7.659 3.198 1.00 4.42 H new ATOM 0 HZ PHE A 51 2.670 5.278 3.389 1.00 15.31 H new ATOM 740 N SER A 52 -4.365 7.323 6.976 1.00 4.10 N ATOM 741 CA SER A 52 -5.412 8.199 7.485 1.00 20.14 C ATOM 742 C SER A 52 -5.537 9.425 6.577 1.00 31.10 C ATOM 743 O SER A 52 -6.643 9.926 6.354 1.00 54.43 O ATOM 744 CB SER A 52 -5.091 8.615 8.926 1.00 62.34 C ATOM 745 OG SER A 52 -6.229 9.172 9.565 1.00 63.35 O ATOM 0 H SER A 52 -3.537 7.254 7.568 1.00 4.10 H new ATOM 0 HA SER A 52 -6.364 7.669 7.488 1.00 20.14 H new ATOM 0 HB2 SER A 52 -4.743 7.749 9.488 1.00 62.34 H new ATOM 0 HB3 SER A 52 -4.279 9.342 8.925 1.00 62.34 H new ATOM 0 HG SER A 52 -5.997 9.427 10.482 1.00 63.35 H new ATOM 750 N HIS A 53 -4.407 9.914 6.055 1.00 75.33 N ATOM 751 CA HIS A 53 -4.296 11.228 5.451 1.00 1.32 C ATOM 752 C HIS A 53 -3.840 11.101 4.006 1.00 34.21 C ATOM 753 O HIS A 53 -2.800 10.505 3.726 1.00 12.54 O ATOM 754 CB HIS A 53 -3.328 12.086 6.281 1.00 2.33 C ATOM 755 CG HIS A 53 -3.687 12.101 7.744 1.00 32.44 C ATOM 756 ND1 HIS A 53 -4.918 12.444 8.245 1.00 4.50 N ATOM 757 CD2 HIS A 53 -2.934 11.631 8.790 1.00 62.34 C ATOM 758 CE1 HIS A 53 -4.900 12.219 9.561 1.00 61.01 C ATOM 759 NE2 HIS A 53 -3.709 11.735 9.950 1.00 32.40 N ATOM 0 H HIS A 53 -3.532 9.390 6.045 1.00 75.33 H new ATOM 0 HA HIS A 53 -5.269 11.720 5.444 1.00 1.32 H new ATOM 0 HB2 HIS A 53 -2.314 11.704 6.162 1.00 2.33 H new ATOM 0 HB3 HIS A 53 -3.331 13.107 5.898 1.00 2.33 H new ATOM 0 HD2 HIS A 53 -1.925 11.250 8.729 1.00 62.34 H new ATOM 0 HE1 HIS A 53 -5.732 12.402 10.224 1.00 61.01 H new ATOM 0 HE2 HIS A 53 -3.427 11.492 10.900 1.00 32.40 H new ATOM 766 N LEU A 54 -4.584 11.739 3.102 1.00 50.34 N ATOM 767 CA LEU A 54 -4.204 11.956 1.707 1.00 21.00 C ATOM 768 C LEU A 54 -2.794 12.563 1.664 1.00 74.03 C ATOM 769 O LEU A 54 -1.905 12.062 0.985 1.00 41.23 O ATOM 770 CB LEU A 54 -5.284 12.867 1.089 1.00 74.41 C ATOM 771 CG LEU A 54 -5.331 12.956 -0.445 1.00 32.00 C ATOM 772 CD1 LEU A 54 -6.567 13.775 -0.831 1.00 50.32 C ATOM 773 CD2 LEU A 54 -4.092 13.595 -1.082 1.00 63.34 C ATOM 0 H LEU A 54 -5.498 12.132 3.329 1.00 50.34 H new ATOM 0 HA LEU A 54 -4.158 11.033 1.128 1.00 21.00 H new ATOM 0 HB2 LEU A 54 -6.257 12.522 1.438 1.00 74.41 H new ATOM 0 HB3 LEU A 54 -5.143 13.874 1.482 1.00 74.41 H new ATOM 0 HG LEU A 54 -5.368 11.934 -0.823 1.00 32.00 H new ATOM 0 HD11 LEU A 54 -6.626 13.855 -1.916 1.00 50.32 H new ATOM 0 HD12 LEU A 54 -7.463 13.281 -0.454 1.00 50.32 H new ATOM 0 HD13 LEU A 54 -6.493 14.772 -0.397 1.00 50.32 H new ATOM 0 HD21 LEU A 54 -4.210 13.617 -2.165 1.00 63.34 H new ATOM 0 HD22 LEU A 54 -3.975 14.612 -0.709 1.00 63.34 H new ATOM 0 HD23 LEU A 54 -3.209 13.010 -0.825 1.00 63.34 H new ATOM 784 N GLN A 55 -2.567 13.597 2.475 1.00 61.24 N ATOM 785 CA GLN A 55 -1.295 14.282 2.644 1.00 53.55 C ATOM 786 C GLN A 55 -0.155 13.328 3.009 1.00 73.45 C ATOM 787 O GLN A 55 0.990 13.586 2.633 1.00 30.34 O ATOM 788 CB GLN A 55 -1.499 15.366 3.719 1.00 25.13 C ATOM 789 CG GLN A 55 -0.251 16.168 4.119 1.00 73.11 C ATOM 790 CD GLN A 55 0.416 15.655 5.397 1.00 54.11 C ATOM 791 OE1 GLN A 55 1.229 14.615 5.330 1.00 52.42 O flip ATOM 792 NE2 GLN A 55 0.225 16.238 6.456 1.00 43.53 N flip ATOM 0 H GLN A 55 -3.304 13.995 3.058 1.00 61.24 H new ATOM 0 HA GLN A 55 -0.993 14.732 1.698 1.00 53.55 H new ATOM 0 HB2 GLN A 55 -2.255 16.065 3.362 1.00 25.13 H new ATOM 0 HB3 GLN A 55 -1.902 14.890 4.613 1.00 25.13 H new ATOM 0 HG2 GLN A 55 0.471 16.135 3.303 1.00 73.11 H new ATOM 0 HG3 GLN A 55 -0.528 17.213 4.257 1.00 73.11 H new ATOM 0 HE21 GLN A 55 -0.406 17.039 6.491 1.00 43.53 H new ATOM 0 HE22 GLN A 55 0.696 15.923 7.304 1.00 43.53 H new ATOM 799 N ASP A 56 -0.400 12.278 3.792 1.00 61.41 N ATOM 800 CA ASP A 56 0.675 11.383 4.224 1.00 33.11 C ATOM 801 C ASP A 56 1.105 10.494 3.057 1.00 71.15 C ATOM 802 O ASP A 56 2.263 10.083 3.009 1.00 43.52 O ATOM 803 CB ASP A 56 0.263 10.531 5.441 1.00 24.03 C ATOM 804 CG ASP A 56 0.566 11.146 6.821 1.00 41.41 C ATOM 805 OD1 ASP A 56 1.166 12.246 6.913 1.00 72.23 O ATOM 806 OD2 ASP A 56 0.161 10.504 7.819 1.00 22.43 O ATOM 0 H ASP A 56 -1.326 12.027 4.138 1.00 61.41 H new ATOM 0 HA ASP A 56 1.519 11.996 4.539 1.00 33.11 H new ATOM 0 HB2 ASP A 56 -0.807 10.335 5.378 1.00 24.03 H new ATOM 0 HB3 ASP A 56 0.768 9.567 5.374 1.00 24.03 H new ATOM 810 N ALA A 57 0.218 10.222 2.087 1.00 43.21 N ATOM 811 CA ALA A 57 0.498 9.313 0.981 1.00 12.42 C ATOM 812 C ALA A 57 1.665 9.847 0.162 1.00 70.13 C ATOM 813 O ALA A 57 2.631 9.123 -0.100 1.00 42.15 O ATOM 814 CB ALA A 57 -0.749 9.103 0.129 1.00 2.50 C ATOM 0 H ALA A 57 -0.716 10.632 2.054 1.00 43.21 H new ATOM 0 HA ALA A 57 0.782 8.337 1.376 1.00 12.42 H new ATOM 0 HB1 ALA A 57 -0.519 8.422 -0.691 1.00 2.50 H new ATOM 0 HB2 ALA A 57 -1.542 8.677 0.744 1.00 2.50 H new ATOM 0 HB3 ALA A 57 -1.078 10.060 -0.276 1.00 2.50 H new ATOM 820 N THR A 58 1.623 11.135 -0.177 1.00 53.24 N ATOM 821 CA THR A 58 2.715 11.783 -0.887 1.00 32.33 C ATOM 822 C THR A 58 4.001 11.741 -0.061 1.00 11.43 C ATOM 823 O THR A 58 5.085 11.550 -0.612 1.00 25.42 O ATOM 824 CB THR A 58 2.357 13.238 -1.244 1.00 25.13 C ATOM 825 OG1 THR A 58 1.070 13.646 -0.806 1.00 73.24 O ATOM 826 CG2 THR A 58 2.462 13.432 -2.751 1.00 53.41 C ATOM 0 H THR A 58 0.837 11.750 0.032 1.00 53.24 H new ATOM 0 HA THR A 58 2.880 11.234 -1.814 1.00 32.33 H new ATOM 0 HB THR A 58 3.073 13.865 -0.713 1.00 25.13 H new ATOM 0 HG1 THR A 58 0.385 13.111 -1.260 1.00 73.24 H new ATOM 0 HG21 THR A 58 2.209 14.462 -3.004 1.00 53.41 H new ATOM 0 HG22 THR A 58 3.481 13.219 -3.075 1.00 53.41 H new ATOM 0 HG23 THR A 58 1.772 12.755 -3.254 1.00 53.41 H new ATOM 834 N ARG A 59 3.888 11.881 1.264 1.00 1.50 N ATOM 835 CA ARG A 59 5.040 11.931 2.152 1.00 4.21 C ATOM 836 C ARG A 59 5.771 10.595 2.216 1.00 33.10 C ATOM 837 O ARG A 59 6.944 10.577 2.584 1.00 24.40 O ATOM 838 CB ARG A 59 4.604 12.401 3.540 1.00 61.41 C ATOM 839 CG ARG A 59 5.825 12.798 4.386 1.00 32.00 C ATOM 840 CD ARG A 59 5.444 13.831 5.444 1.00 1.10 C ATOM 841 NE ARG A 59 5.211 15.180 4.896 1.00 25.24 N ATOM 842 CZ ARG A 59 6.091 15.986 4.291 1.00 73.24 C ATOM 843 NH1 ARG A 59 7.380 15.670 4.217 1.00 3.43 N ATOM 844 NH2 ARG A 59 5.663 17.112 3.740 1.00 42.41 N ATOM 0 H ARG A 59 2.992 11.962 1.745 1.00 1.50 H new ATOM 0 HA ARG A 59 5.752 12.650 1.747 1.00 4.21 H new ATOM 0 HB2 ARG A 59 3.928 13.251 3.446 1.00 61.41 H new ATOM 0 HB3 ARG A 59 4.050 11.607 4.041 1.00 61.41 H new ATOM 0 HG2 ARG A 59 6.241 11.914 4.869 1.00 32.00 H new ATOM 0 HG3 ARG A 59 6.603 13.204 3.740 1.00 32.00 H new ATOM 0 HD2 ARG A 59 4.543 13.496 5.958 1.00 1.10 H new ATOM 0 HD3 ARG A 59 6.236 13.883 6.191 1.00 1.10 H new ATOM 0 HE ARG A 59 4.262 15.543 4.990 1.00 25.24 H new ATOM 0 HH11 ARG A 59 7.716 14.798 4.626 1.00 3.43 H new ATOM 0 HH12 ARG A 59 8.033 16.299 3.751 1.00 3.43 H new ATOM 0 HH21 ARG A 59 4.673 17.355 3.780 1.00 42.41 H new ATOM 0 HH22 ARG A 59 6.323 17.736 3.276 1.00 42.41 H new ATOM 855 N TRP A 60 5.106 9.490 1.870 1.00 41.54 N ATOM 856 CA TRP A 60 5.787 8.221 1.652 1.00 34.11 C ATOM 857 C TRP A 60 6.346 8.147 0.233 1.00 41.12 C ATOM 858 O TRP A 60 7.512 7.793 0.053 1.00 13.00 O ATOM 859 CB TRP A 60 4.859 7.028 1.934 1.00 24.04 C ATOM 860 CG TRP A 60 5.557 5.710 2.157 1.00 2.34 C ATOM 861 CD1 TRP A 60 6.806 5.556 2.656 1.00 33.01 C ATOM 862 CD2 TRP A 60 5.072 4.347 1.934 1.00 75.01 C ATOM 863 NE1 TRP A 60 7.121 4.218 2.746 1.00 35.24 N ATOM 864 CE2 TRP A 60 6.086 3.424 2.324 1.00 54.35 C ATOM 865 CE3 TRP A 60 3.861 3.785 1.481 1.00 3.42 C ATOM 866 CZ2 TRP A 60 5.910 2.035 2.275 1.00 11.12 C ATOM 867 CZ3 TRP A 60 3.675 2.391 1.402 1.00 11.52 C ATOM 868 CH2 TRP A 60 4.696 1.514 1.807 1.00 73.22 C ATOM 0 H TRP A 60 4.096 9.453 1.736 1.00 41.54 H new ATOM 0 HA TRP A 60 6.618 8.166 2.355 1.00 34.11 H new ATOM 0 HB2 TRP A 60 4.258 7.256 2.814 1.00 24.04 H new ATOM 0 HB3 TRP A 60 4.170 6.919 1.097 1.00 24.04 H new ATOM 0 HD1 TRP A 60 7.461 6.366 2.942 1.00 33.01 H new ATOM 0 HE1 TRP A 60 8.015 3.862 3.085 1.00 35.24 H new ATOM 0 HE3 TRP A 60 3.055 4.441 1.187 1.00 3.42 H new ATOM 0 HZ2 TRP A 60 6.701 1.373 2.594 1.00 11.12 H new ATOM 0 HZ3 TRP A 60 2.743 1.994 1.028 1.00 11.52 H new ATOM 0 HH2 TRP A 60 4.546 0.446 1.758 1.00 73.22 H new ATOM 878 N MET A 61 5.519 8.446 -0.775 1.00 54.54 N ATOM 879 CA MET A 61 5.861 8.242 -2.177 1.00 2.22 C ATOM 880 C MET A 61 7.065 9.087 -2.585 1.00 44.25 C ATOM 881 O MET A 61 8.075 8.535 -3.030 1.00 62.41 O ATOM 882 CB MET A 61 4.651 8.524 -3.076 1.00 53.21 C ATOM 883 CG MET A 61 3.503 7.522 -2.868 1.00 13.23 C ATOM 884 SD MET A 61 2.962 6.572 -4.323 1.00 75.23 S ATOM 885 CE MET A 61 2.755 7.883 -5.555 1.00 11.13 C ATOM 0 H MET A 61 4.588 8.839 -0.634 1.00 54.54 H new ATOM 0 HA MET A 61 6.141 7.197 -2.306 1.00 2.22 H new ATOM 0 HB2 MET A 61 4.286 9.532 -2.880 1.00 53.21 H new ATOM 0 HB3 MET A 61 4.966 8.496 -4.119 1.00 53.21 H new ATOM 0 HG2 MET A 61 3.806 6.815 -2.095 1.00 13.23 H new ATOM 0 HG3 MET A 61 2.643 8.068 -2.481 1.00 13.23 H new ATOM 0 HE1 MET A 61 1.939 7.623 -6.229 1.00 11.13 H new ATOM 0 HE2 MET A 61 2.525 8.822 -5.052 1.00 11.13 H new ATOM 0 HE3 MET A 61 3.676 7.994 -6.127 1.00 11.13 H new ATOM 893 N GLU A 62 6.986 10.413 -2.445 1.00 12.13 N ATOM 894 CA GLU A 62 8.046 11.318 -2.891 1.00 21.34 C ATOM 895 C GLU A 62 9.324 11.055 -2.093 1.00 42.43 C ATOM 896 O GLU A 62 10.427 11.121 -2.636 1.00 64.42 O ATOM 897 CB GLU A 62 7.617 12.793 -2.778 1.00 33.12 C ATOM 898 CG GLU A 62 6.348 13.074 -3.585 1.00 14.50 C ATOM 899 CD GLU A 62 6.195 14.535 -4.039 1.00 73.01 C ATOM 900 OE1 GLU A 62 6.219 15.448 -3.185 1.00 5.42 O ATOM 901 OE2 GLU A 62 5.980 14.780 -5.251 1.00 33.30 O ATOM 0 H GLU A 62 6.188 10.887 -2.021 1.00 12.13 H new ATOM 0 HA GLU A 62 8.242 11.122 -3.945 1.00 21.34 H new ATOM 0 HB2 GLU A 62 7.446 13.044 -1.731 1.00 33.12 H new ATOM 0 HB3 GLU A 62 8.424 13.435 -3.132 1.00 33.12 H new ATOM 0 HG2 GLU A 62 6.341 12.430 -4.465 1.00 14.50 H new ATOM 0 HG3 GLU A 62 5.481 12.801 -2.983 1.00 14.50 H new ATOM 906 N ALA A 63 9.184 10.657 -0.827 1.00 43.31 N ATOM 907 CA ALA A 63 10.304 10.321 0.052 1.00 74.50 C ATOM 908 C ALA A 63 11.040 9.053 -0.365 1.00 30.34 C ATOM 909 O ALA A 63 12.140 8.787 0.126 1.00 62.43 O ATOM 910 CB ALA A 63 9.812 10.171 1.486 1.00 45.44 C ATOM 0 H ALA A 63 8.274 10.558 -0.377 1.00 43.31 H new ATOM 0 HA ALA A 63 11.015 11.143 -0.026 1.00 74.50 H new ATOM 0 HB1 ALA A 63 10.652 9.921 2.134 1.00 45.44 H new ATOM 0 HB2 ALA A 63 9.365 11.108 1.817 1.00 45.44 H new ATOM 0 HB3 ALA A 63 9.067 9.377 1.534 1.00 45.44 H new ATOM 916 N ASN A 64 10.485 8.292 -1.297 1.00 72.23 N ATOM 917 CA ASN A 64 11.109 7.108 -1.859 1.00 74.34 C ATOM 918 C ASN A 64 11.274 7.248 -3.363 1.00 31.34 C ATOM 919 O ASN A 64 11.659 6.288 -4.017 1.00 44.00 O ATOM 920 CB ASN A 64 10.299 5.881 -1.454 1.00 62.13 C ATOM 921 CG ASN A 64 10.531 5.589 0.018 1.00 42.44 C ATOM 922 OD1 ASN A 64 9.588 5.939 0.875 1.00 11.01 O flip ATOM 923 ND2 ASN A 64 11.576 5.065 0.394 1.00 74.44 N flip ATOM 0 H ASN A 64 9.565 8.488 -1.692 1.00 72.23 H new ATOM 0 HA ASN A 64 12.116 6.986 -1.461 1.00 74.34 H new ATOM 0 HB2 ASN A 64 9.239 6.054 -1.639 1.00 62.13 H new ATOM 0 HB3 ASN A 64 10.592 5.022 -2.057 1.00 62.13 H new ATOM 0 HD21 ASN A 64 12.289 4.804 -0.287 1.00 74.44 H new ATOM 0 HD22 ASN A 64 11.731 4.891 1.387 1.00 74.44 H new ATOM 929 N GLN A 65 11.014 8.434 -3.926 1.00 53.24 N ATOM 930 CA GLN A 65 11.110 8.689 -5.361 1.00 73.24 C ATOM 931 C GLN A 65 10.281 7.652 -6.137 1.00 62.14 C ATOM 932 O GLN A 65 10.645 7.260 -7.243 1.00 41.24 O ATOM 933 CB GLN A 65 12.593 8.746 -5.780 1.00 42.04 C ATOM 934 CG GLN A 65 13.375 9.856 -5.061 1.00 30.44 C ATOM 935 CD GLN A 65 14.874 9.591 -5.110 1.00 52.20 C ATOM 936 OE1 GLN A 65 15.540 9.914 -6.085 1.00 44.24 O ATOM 937 NE2 GLN A 65 15.419 8.992 -4.063 1.00 42.14 N ATOM 0 H GLN A 65 10.728 9.252 -3.387 1.00 53.24 H new ATOM 0 HA GLN A 65 10.683 9.661 -5.608 1.00 73.24 H new ATOM 0 HB2 GLN A 65 13.062 7.784 -5.571 1.00 42.04 H new ATOM 0 HB3 GLN A 65 12.655 8.904 -6.857 1.00 42.04 H new ATOM 0 HG2 GLN A 65 13.157 10.818 -5.525 1.00 30.44 H new ATOM 0 HG3 GLN A 65 13.048 9.922 -4.023 1.00 30.44 H new ATOM 0 HE21 GLN A 65 14.840 8.734 -3.264 1.00 42.14 H new ATOM 0 HE22 GLN A 65 16.418 8.788 -4.055 1.00 42.14 H new ATOM 944 N HIS A 66 9.158 7.233 -5.546 1.00 62.33 N ATOM 945 CA HIS A 66 8.203 6.270 -6.073 1.00 20.35 C ATOM 946 C HIS A 66 8.741 4.822 -6.203 1.00 32.51 C ATOM 947 O HIS A 66 8.018 3.984 -6.763 1.00 63.30 O ATOM 948 CB HIS A 66 7.509 6.795 -7.354 1.00 11.11 C ATOM 949 CG HIS A 66 6.703 8.076 -7.236 1.00 4.12 C ATOM 950 ND1 HIS A 66 6.629 8.927 -6.166 1.00 4.44 N flip ATOM 951 CD2 HIS A 66 5.882 8.596 -8.214 1.00 52.22 C flip ATOM 952 CE1 HIS A 66 5.736 9.953 -6.477 1.00 13.50 C flip ATOM 953 NE2 HIS A 66 5.333 9.727 -7.738 1.00 50.52 N flip ATOM 0 H HIS A 66 8.880 7.583 -4.629 1.00 62.33 H new ATOM 0 HA HIS A 66 7.431 6.177 -5.310 1.00 20.35 H new ATOM 0 HB2 HIS A 66 8.275 6.948 -8.114 1.00 11.11 H new ATOM 0 HB3 HIS A 66 6.846 6.012 -7.723 1.00 11.11 H new ATOM 0 HD2 HIS A 66 5.710 8.169 -9.191 1.00 52.22 H new ATOM 0 HE1 HIS A 66 5.431 10.765 -5.834 1.00 13.50 H new ATOM 0 HE2 HIS A 66 4.698 10.330 -8.262 1.00 50.52 H new ATOM 960 N SER A 67 9.912 4.461 -5.653 1.00 51.21 N ATOM 961 CA SER A 67 10.431 3.096 -5.690 1.00 32.42 C ATOM 962 C SER A 67 11.080 2.712 -4.352 1.00 75.10 C ATOM 963 O SER A 67 11.886 3.447 -3.789 1.00 42.14 O ATOM 964 CB SER A 67 11.388 2.872 -6.875 1.00 51.02 C ATOM 965 OG SER A 67 11.771 4.032 -7.599 1.00 40.23 O ATOM 0 H SER A 67 10.524 5.117 -5.168 1.00 51.21 H new ATOM 0 HA SER A 67 9.581 2.431 -5.846 1.00 32.42 H new ATOM 0 HB2 SER A 67 12.290 2.389 -6.500 1.00 51.02 H new ATOM 0 HB3 SER A 67 10.917 2.175 -7.568 1.00 51.02 H new ATOM 0 HG SER A 67 12.378 3.779 -8.325 1.00 40.23 H new ATOM 970 N LEU A 68 10.723 1.535 -3.842 1.00 15.15 N ATOM 971 CA LEU A 68 11.214 0.945 -2.596 1.00 3.24 C ATOM 972 C LEU A 68 12.097 -0.255 -2.890 1.00 13.35 C ATOM 973 O LEU A 68 12.264 -0.656 -4.048 1.00 34.14 O ATOM 974 CB LEU A 68 10.043 0.470 -1.713 1.00 60.31 C ATOM 975 CG LEU A 68 9.076 1.540 -1.201 1.00 63.13 C ATOM 976 CD1 LEU A 68 7.950 0.898 -0.387 1.00 14.14 C ATOM 977 CD2 LEU A 68 9.811 2.527 -0.308 1.00 32.54 C ATOM 0 H LEU A 68 10.046 0.934 -4.312 1.00 15.15 H new ATOM 0 HA LEU A 68 11.782 1.714 -2.073 1.00 3.24 H new ATOM 0 HB2 LEU A 68 9.468 -0.262 -2.280 1.00 60.31 H new ATOM 0 HB3 LEU A 68 10.459 -0.050 -0.850 1.00 60.31 H new ATOM 0 HG LEU A 68 8.658 2.057 -2.065 1.00 63.13 H new ATOM 0 HD11 LEU A 68 7.271 1.673 -0.030 1.00 14.14 H new ATOM 0 HD12 LEU A 68 7.401 0.196 -1.015 1.00 14.14 H new ATOM 0 HD13 LEU A 68 8.374 0.367 0.465 1.00 14.14 H new ATOM 0 HD21 LEU A 68 9.113 3.283 0.050 1.00 32.54 H new ATOM 0 HD22 LEU A 68 10.241 1.998 0.543 1.00 32.54 H new ATOM 0 HD23 LEU A 68 10.607 3.008 -0.876 1.00 32.54 H new ATOM 988 N ASN A 69 12.638 -0.846 -1.827 1.00 42.03 N ATOM 989 CA ASN A 69 13.372 -2.086 -1.891 1.00 23.24 C ATOM 990 C ASN A 69 13.098 -2.866 -0.624 1.00 12.33 C ATOM 991 O ASN A 69 13.533 -2.462 0.453 1.00 61.40 O ATOM 992 CB ASN A 69 14.853 -1.782 -2.032 1.00 54.21 C ATOM 993 CG ASN A 69 15.641 -3.077 -2.191 1.00 60.40 C ATOM 994 OD1 ASN A 69 15.626 -3.940 -1.319 1.00 24.54 O ATOM 995 ND2 ASN A 69 16.337 -3.253 -3.295 1.00 53.01 N ATOM 0 H ASN A 69 12.572 -0.461 -0.885 1.00 42.03 H new ATOM 0 HA ASN A 69 13.061 -2.679 -2.751 1.00 23.24 H new ATOM 0 HB2 ASN A 69 15.019 -1.138 -2.895 1.00 54.21 H new ATOM 0 HB3 ASN A 69 15.206 -1.238 -1.156 1.00 54.21 H new ATOM 0 HD21 ASN A 69 16.870 -4.112 -3.431 1.00 53.01 H new ATOM 0 HD22 ASN A 69 16.344 -2.530 -4.014 1.00 53.01 H new ATOM 1001 N ILE A 70 12.363 -3.965 -0.756 1.00 61.43 N ATOM 1002 CA ILE A 70 12.050 -4.835 0.361 1.00 21.55 C ATOM 1003 C ILE A 70 12.611 -6.218 0.048 1.00 52.00 C ATOM 1004 O ILE A 70 12.355 -6.800 -1.011 1.00 75.20 O ATOM 1005 CB ILE A 70 10.544 -4.808 0.678 1.00 52.22 C ATOM 1006 CG1 ILE A 70 10.044 -3.366 0.926 1.00 71.12 C ATOM 1007 CG2 ILE A 70 10.257 -5.631 1.951 1.00 1.03 C ATOM 1008 CD1 ILE A 70 9.370 -2.726 -0.284 1.00 40.24 C ATOM 0 H ILE A 70 11.969 -4.274 -1.645 1.00 61.43 H new ATOM 0 HA ILE A 70 12.522 -4.489 1.281 1.00 21.55 H new ATOM 0 HB ILE A 70 10.026 -5.230 -0.183 1.00 52.22 H new ATOM 0 HG12 ILE A 70 9.341 -3.375 1.759 1.00 71.12 H new ATOM 0 HG13 ILE A 70 10.888 -2.747 1.228 1.00 71.12 H new ATOM 0 HG21 ILE A 70 9.189 -5.606 2.167 1.00 1.03 H new ATOM 0 HG22 ILE A 70 10.572 -6.663 1.796 1.00 1.03 H new ATOM 0 HG23 ILE A 70 10.807 -5.206 2.791 1.00 1.03 H new ATOM 0 HD11 ILE A 70 9.048 -1.716 -0.029 1.00 40.24 H new ATOM 0 HD12 ILE A 70 10.076 -2.683 -1.113 1.00 40.24 H new ATOM 0 HD13 ILE A 70 8.504 -3.321 -0.575 1.00 40.24 H new ATOM 1019 N LEU A 71 13.405 -6.728 0.987 1.00 60.20 N ATOM 1020 CA LEU A 71 14.142 -7.980 0.960 1.00 4.35 C ATOM 1021 C LEU A 71 15.027 -8.088 -0.280 1.00 2.42 C ATOM 1022 O LEU A 71 15.273 -9.195 -0.753 1.00 15.34 O ATOM 1023 CB LEU A 71 13.203 -9.183 1.169 1.00 53.33 C ATOM 1024 CG LEU A 71 12.457 -9.233 2.516 1.00 4.32 C ATOM 1025 CD1 LEU A 71 11.666 -10.541 2.577 1.00 35.34 C ATOM 1026 CD2 LEU A 71 13.412 -9.181 3.709 1.00 35.11 C ATOM 0 H LEU A 71 13.560 -6.227 1.862 1.00 60.20 H new ATOM 0 HA LEU A 71 14.832 -7.993 1.804 1.00 4.35 H new ATOM 0 HB2 LEU A 71 12.465 -9.185 0.367 1.00 53.33 H new ATOM 0 HB3 LEU A 71 13.788 -10.097 1.066 1.00 53.33 H new ATOM 0 HG LEU A 71 11.804 -8.362 2.576 1.00 4.32 H new ATOM 0 HD11 LEU A 71 11.129 -10.598 3.524 1.00 35.34 H new ATOM 0 HD12 LEU A 71 10.953 -10.574 1.753 1.00 35.34 H new ATOM 0 HD13 LEU A 71 12.351 -11.385 2.497 1.00 35.34 H new ATOM 0 HD21 LEU A 71 12.839 -9.219 4.636 1.00 35.11 H new ATOM 0 HD22 LEU A 71 14.092 -10.032 3.668 1.00 35.11 H new ATOM 0 HD23 LEU A 71 13.986 -8.255 3.675 1.00 35.11 H new ATOM 1037 N GLY A 72 15.483 -6.942 -0.794 1.00 35.13 N ATOM 1038 CA GLY A 72 16.377 -6.812 -1.930 1.00 74.30 C ATOM 1039 C GLY A 72 15.646 -6.715 -3.268 1.00 44.33 C ATOM 1040 O GLY A 72 16.260 -6.350 -4.275 1.00 73.31 O ATOM 0 H GLY A 72 15.220 -6.037 -0.403 1.00 35.13 H new ATOM 0 HA2 GLY A 72 16.995 -5.924 -1.797 1.00 74.30 H new ATOM 0 HA3 GLY A 72 17.050 -7.669 -1.953 1.00 74.30 H new ATOM 1044 N GLN A 73 14.341 -7.000 -3.310 1.00 62.44 N ATOM 1045 CA GLN A 73 13.573 -6.914 -4.529 1.00 21.45 C ATOM 1046 C GLN A 73 13.234 -5.461 -4.769 1.00 51.33 C ATOM 1047 O GLN A 73 12.948 -4.702 -3.843 1.00 12.12 O ATOM 1048 CB GLN A 73 12.284 -7.734 -4.431 1.00 3.14 C ATOM 1049 CG GLN A 73 12.518 -9.222 -4.734 1.00 63.30 C ATOM 1050 CD GLN A 73 13.237 -9.985 -3.624 1.00 21.43 C ATOM 1051 OE1 GLN A 73 13.007 -9.626 -2.373 1.00 75.12 O flip ATOM 1052 NE2 GLN A 73 13.944 -10.954 -3.876 1.00 51.32 N flip ATOM 0 H GLN A 73 13.801 -7.295 -2.497 1.00 62.44 H new ATOM 0 HA GLN A 73 14.161 -7.317 -5.354 1.00 21.45 H new ATOM 0 HB2 GLN A 73 11.865 -7.630 -3.430 1.00 3.14 H new ATOM 0 HB3 GLN A 73 11.547 -7.335 -5.128 1.00 3.14 H new ATOM 0 HG2 GLN A 73 11.556 -9.698 -4.921 1.00 63.30 H new ATOM 0 HG3 GLN A 73 13.099 -9.307 -5.652 1.00 63.30 H new ATOM 0 HE21 GLN A 73 14.115 -11.222 -4.845 1.00 51.32 H new ATOM 0 HE22 GLN A 73 14.361 -11.492 -3.117 1.00 51.32 H new ATOM 1059 N LYS A 74 13.206 -5.108 -6.044 1.00 64.21 N ATOM 1060 CA LYS A 74 12.757 -3.832 -6.526 1.00 52.40 C ATOM 1061 C LYS A 74 11.253 -3.770 -6.339 1.00 60.23 C ATOM 1062 O LYS A 74 10.554 -4.693 -6.752 1.00 41.10 O ATOM 1063 CB LYS A 74 13.136 -3.784 -8.014 1.00 11.25 C ATOM 1064 CG LYS A 74 13.043 -2.381 -8.612 1.00 64.41 C ATOM 1065 CD LYS A 74 14.370 -1.961 -9.256 1.00 54.14 C ATOM 1066 CE LYS A 74 15.421 -1.645 -8.184 1.00 52.14 C ATOM 1067 NZ LYS A 74 16.437 -2.703 -7.966 1.00 22.52 N ATOM 0 H LYS A 74 13.509 -5.733 -6.791 1.00 64.21 H new ATOM 0 HA LYS A 74 13.203 -2.988 -5.999 1.00 52.40 H new ATOM 0 HB2 LYS A 74 14.153 -4.158 -8.136 1.00 11.25 H new ATOM 0 HB3 LYS A 74 12.481 -4.454 -8.571 1.00 11.25 H new ATOM 0 HG2 LYS A 74 12.249 -2.353 -9.358 1.00 64.41 H new ATOM 0 HG3 LYS A 74 12.773 -1.668 -7.833 1.00 64.41 H new ATOM 0 HD2 LYS A 74 14.733 -2.759 -9.904 1.00 54.14 H new ATOM 0 HD3 LYS A 74 14.212 -1.086 -9.886 1.00 54.14 H new ATOM 0 HE2 LYS A 74 15.933 -0.723 -8.460 1.00 52.14 H new ATOM 0 HE3 LYS A 74 14.909 -1.455 -7.241 1.00 52.14 H new ATOM 0 HZ1 LYS A 74 17.272 -2.292 -7.501 1.00 22.52 H new ATOM 0 HZ2 LYS A 74 16.037 -3.450 -7.363 1.00 22.52 H new ATOM 0 HZ3 LYS A 74 16.716 -3.110 -8.881 1.00 22.52 H new ATOM 1077 N VAL A 75 10.760 -2.694 -5.743 1.00 2.31 N ATOM 1078 CA VAL A 75 9.344 -2.493 -5.479 1.00 32.33 C ATOM 1079 C VAL A 75 8.991 -1.085 -5.955 1.00 33.33 C ATOM 1080 O VAL A 75 9.828 -0.181 -5.941 1.00 31.22 O ATOM 1081 CB VAL A 75 9.069 -2.759 -3.985 1.00 53.21 C ATOM 1082 CG1 VAL A 75 7.601 -2.526 -3.610 1.00 41.24 C ATOM 1083 CG2 VAL A 75 9.422 -4.203 -3.594 1.00 12.42 C ATOM 0 H VAL A 75 11.345 -1.922 -5.424 1.00 2.31 H new ATOM 0 HA VAL A 75 8.702 -3.188 -6.020 1.00 32.33 H new ATOM 0 HB VAL A 75 9.700 -2.053 -3.446 1.00 53.21 H new ATOM 0 HG11 VAL A 75 7.460 -2.727 -2.548 1.00 41.24 H new ATOM 0 HG12 VAL A 75 7.331 -1.492 -3.822 1.00 41.24 H new ATOM 0 HG13 VAL A 75 6.966 -3.194 -4.193 1.00 41.24 H new ATOM 0 HG21 VAL A 75 9.215 -4.354 -2.534 1.00 12.42 H new ATOM 0 HG22 VAL A 75 8.822 -4.897 -4.183 1.00 12.42 H new ATOM 0 HG23 VAL A 75 10.479 -4.384 -3.787 1.00 12.42 H new ATOM 1093 N SER A 76 7.757 -0.870 -6.403 1.00 23.42 N ATOM 1094 CA SER A 76 7.337 0.396 -6.995 1.00 22.53 C ATOM 1095 C SER A 76 5.996 0.813 -6.407 1.00 41.12 C ATOM 1096 O SER A 76 5.051 0.027 -6.436 1.00 53.41 O ATOM 1097 CB SER A 76 7.306 0.224 -8.512 1.00 74.34 C ATOM 1098 OG SER A 76 8.600 -0.165 -8.960 1.00 55.41 O ATOM 0 H SER A 76 7.018 -1.572 -6.365 1.00 23.42 H new ATOM 0 HA SER A 76 8.036 1.201 -6.765 1.00 22.53 H new ATOM 0 HB2 SER A 76 6.569 -0.529 -8.791 1.00 74.34 H new ATOM 0 HB3 SER A 76 7.006 1.156 -8.991 1.00 74.34 H new ATOM 0 HG SER A 76 8.589 -0.279 -9.933 1.00 55.41 H new ATOM 1103 N MET A 77 5.926 2.010 -5.814 1.00 55.41 N ATOM 1104 CA MET A 77 4.677 2.510 -5.252 1.00 14.52 C ATOM 1105 C MET A 77 3.879 3.290 -6.292 1.00 33.20 C ATOM 1106 O MET A 77 4.447 3.915 -7.198 1.00 1.32 O ATOM 1107 CB MET A 77 4.885 3.342 -3.980 1.00 3.30 C ATOM 1108 CG MET A 77 5.856 4.513 -4.092 1.00 3.30 C ATOM 1109 SD MET A 77 7.311 4.409 -3.017 1.00 51.43 S ATOM 1110 CE MET A 77 6.528 4.467 -1.376 1.00 71.01 C ATOM 0 H MET A 77 6.718 2.644 -5.714 1.00 55.41 H new ATOM 0 HA MET A 77 4.099 1.634 -4.958 1.00 14.52 H new ATOM 0 HB2 MET A 77 3.917 3.729 -3.662 1.00 3.30 H new ATOM 0 HB3 MET A 77 5.238 2.678 -3.191 1.00 3.30 H new ATOM 0 HG2 MET A 77 6.192 4.589 -5.126 1.00 3.30 H new ATOM 0 HG3 MET A 77 5.319 5.434 -3.863 1.00 3.30 H new ATOM 0 HE1 MET A 77 7.235 4.868 -0.650 1.00 71.01 H new ATOM 0 HE2 MET A 77 5.646 5.106 -1.416 1.00 71.01 H new ATOM 0 HE3 MET A 77 6.233 3.461 -1.078 1.00 71.01 H new ATOM 1118 N HIS A 78 2.558 3.259 -6.120 1.00 32.00 N ATOM 1119 CA HIS A 78 1.568 3.925 -6.944 1.00 0.54 C ATOM 1120 C HIS A 78 0.435 4.406 -6.038 1.00 42.11 C ATOM 1121 O HIS A 78 0.069 3.713 -5.083 1.00 71.25 O ATOM 1122 CB HIS A 78 1.035 2.940 -7.997 1.00 55.55 C ATOM 1123 CG HIS A 78 2.110 2.339 -8.873 1.00 60.03 C ATOM 1124 ND1 HIS A 78 2.872 1.244 -8.568 1.00 54.52 N flip ATOM 1125 CD2 HIS A 78 2.546 2.820 -10.087 1.00 52.24 C flip ATOM 1126 CE1 HIS A 78 3.777 1.044 -9.615 1.00 61.45 C flip ATOM 1127 NE2 HIS A 78 3.538 2.018 -10.511 1.00 44.33 N flip ATOM 0 H HIS A 78 2.132 2.736 -5.355 1.00 32.00 H new ATOM 0 HA HIS A 78 2.008 4.778 -7.461 1.00 0.54 H new ATOM 0 HB2 HIS A 78 0.501 2.136 -7.491 1.00 55.55 H new ATOM 0 HB3 HIS A 78 0.311 3.455 -8.629 1.00 55.55 H new ATOM 0 HD2 HIS A 78 2.161 3.686 -10.605 1.00 52.24 H new ATOM 0 HE1 HIS A 78 4.520 0.263 -9.689 1.00 61.45 H new ATOM 0 HE2 HIS A 78 4.040 2.132 -11.391 1.00 44.33 H new ATOM 1134 N TYR A 79 -0.137 5.571 -6.345 1.00 2.14 N ATOM 1135 CA TYR A 79 -1.425 6.003 -5.838 1.00 33.33 C ATOM 1136 C TYR A 79 -2.467 5.078 -6.457 1.00 72.23 C ATOM 1137 O TYR A 79 -2.622 5.054 -7.679 1.00 51.54 O ATOM 1138 CB TYR A 79 -1.677 7.465 -6.243 1.00 12.30 C ATOM 1139 CG TYR A 79 -1.237 8.539 -5.259 1.00 41.31 C ATOM 1140 CD1 TYR A 79 -0.276 8.295 -4.256 1.00 41.42 C ATOM 1141 CD2 TYR A 79 -1.870 9.796 -5.311 1.00 70.24 C ATOM 1142 CE1 TYR A 79 0.026 9.293 -3.312 1.00 13.22 C ATOM 1143 CE2 TYR A 79 -1.613 10.775 -4.341 1.00 62.25 C ATOM 1144 CZ TYR A 79 -0.647 10.534 -3.347 1.00 31.22 C ATOM 1145 OH TYR A 79 -0.362 11.478 -2.419 1.00 3.23 O ATOM 0 H TYR A 79 0.299 6.251 -6.968 1.00 2.14 H new ATOM 0 HA TYR A 79 -1.469 5.954 -4.750 1.00 33.33 H new ATOM 0 HB2 TYR A 79 -1.171 7.646 -7.191 1.00 12.30 H new ATOM 0 HB3 TYR A 79 -2.745 7.588 -6.423 1.00 12.30 H new ATOM 0 HD1 TYR A 79 0.228 7.341 -4.213 1.00 41.42 H new ATOM 0 HD2 TYR A 79 -2.564 10.009 -6.110 1.00 70.24 H new ATOM 0 HE1 TYR A 79 0.776 9.109 -2.557 1.00 13.22 H new ATOM 0 HE2 TYR A 79 -2.154 11.710 -4.357 1.00 62.25 H new ATOM 0 HH TYR A 79 -0.910 12.274 -2.583 1.00 3.23 H new ATOM 1154 N SER A 80 -3.171 4.311 -5.631 1.00 44.55 N ATOM 1155 CA SER A 80 -4.087 3.265 -6.069 1.00 11.12 C ATOM 1156 C SER A 80 -5.421 3.489 -5.359 1.00 74.41 C ATOM 1157 O SER A 80 -5.934 2.602 -4.676 1.00 14.51 O ATOM 1158 CB SER A 80 -3.419 1.916 -5.772 1.00 51.22 C ATOM 1159 OG SER A 80 -3.480 1.020 -6.864 1.00 64.42 O ATOM 0 H SER A 80 -3.119 4.402 -4.616 1.00 44.55 H new ATOM 0 HA SER A 80 -4.299 3.282 -7.138 1.00 11.12 H new ATOM 0 HB2 SER A 80 -2.376 2.084 -5.504 1.00 51.22 H new ATOM 0 HB3 SER A 80 -3.901 1.460 -4.907 1.00 51.22 H new ATOM 0 HG SER A 80 -3.039 0.179 -6.622 1.00 64.42 H new ATOM 1164 N ASP A 81 -5.935 4.719 -5.467 1.00 15.12 N ATOM 1165 CA ASP A 81 -7.025 5.223 -4.634 1.00 35.31 C ATOM 1166 C ASP A 81 -8.250 4.314 -4.674 1.00 73.23 C ATOM 1167 O ASP A 81 -8.456 3.597 -5.656 1.00 74.43 O ATOM 1168 CB ASP A 81 -7.401 6.664 -5.004 1.00 23.32 C ATOM 1169 CG ASP A 81 -8.663 6.803 -5.855 1.00 2.10 C ATOM 1170 OD1 ASP A 81 -8.560 6.640 -7.093 1.00 35.11 O ATOM 1171 OD2 ASP A 81 -9.731 7.106 -5.282 1.00 55.41 O ATOM 0 H ASP A 81 -5.598 5.400 -6.147 1.00 15.12 H new ATOM 0 HA ASP A 81 -6.655 5.225 -3.609 1.00 35.31 H new ATOM 0 HB2 ASP A 81 -7.535 7.236 -4.086 1.00 23.32 H new ATOM 0 HB3 ASP A 81 -6.567 7.115 -5.541 1.00 23.32 H new ATOM 1175 N PRO A 82 -9.084 4.329 -3.629 1.00 71.45 N ATOM 1176 CA PRO A 82 -10.164 3.371 -3.551 1.00 60.13 C ATOM 1177 C PRO A 82 -11.267 3.622 -4.585 1.00 3.10 C ATOM 1178 O PRO A 82 -11.929 2.668 -5.008 1.00 75.32 O ATOM 1179 CB PRO A 82 -10.681 3.456 -2.122 1.00 14.50 C ATOM 1180 CG PRO A 82 -10.207 4.807 -1.587 1.00 15.14 C ATOM 1181 CD PRO A 82 -8.997 5.161 -2.441 1.00 23.02 C ATOM 0 HA PRO A 82 -9.809 2.368 -3.790 1.00 60.13 H new ATOM 0 HB2 PRO A 82 -11.768 3.384 -2.095 1.00 14.50 H new ATOM 0 HB3 PRO A 82 -10.292 2.637 -1.516 1.00 14.50 H new ATOM 0 HG2 PRO A 82 -10.987 5.563 -1.674 1.00 15.14 H new ATOM 0 HG3 PRO A 82 -9.941 4.743 -0.532 1.00 15.14 H new ATOM 0 HD2 PRO A 82 -9.002 6.219 -2.705 1.00 23.02 H new ATOM 0 HD3 PRO A 82 -8.070 4.972 -1.900 1.00 23.02 H new ATOM 1186 N LYS A 83 -11.430 4.893 -4.970 1.00 71.23 N ATOM 1187 CA LYS A 83 -12.415 5.515 -5.851 1.00 52.54 C ATOM 1188 C LYS A 83 -13.861 5.236 -5.436 1.00 3.22 C ATOM 1189 O LYS A 83 -14.121 4.358 -4.605 1.00 3.24 O ATOM 1190 CB LYS A 83 -12.057 5.268 -7.333 1.00 55.24 C ATOM 1191 CG LYS A 83 -12.523 3.932 -7.935 1.00 73.24 C ATOM 1192 CD LYS A 83 -12.520 3.936 -9.475 1.00 0.24 C ATOM 1193 CE LYS A 83 -11.149 4.359 -10.015 1.00 52.41 C ATOM 1194 NZ LYS A 83 -10.996 4.174 -11.469 1.00 60.12 N ATOM 0 H LYS A 83 -10.784 5.601 -4.621 1.00 71.23 H new ATOM 0 HA LYS A 83 -12.360 6.597 -5.731 1.00 52.54 H new ATOM 0 HB2 LYS A 83 -12.482 6.077 -7.927 1.00 55.24 H new ATOM 0 HB3 LYS A 83 -10.974 5.331 -7.438 1.00 55.24 H new ATOM 0 HG2 LYS A 83 -11.875 3.132 -7.577 1.00 73.24 H new ATOM 0 HG3 LYS A 83 -13.529 3.710 -7.579 1.00 73.24 H new ATOM 0 HD2 LYS A 83 -12.772 2.943 -9.846 1.00 0.24 H new ATOM 0 HD3 LYS A 83 -13.287 4.617 -9.843 1.00 0.24 H new ATOM 0 HE2 LYS A 83 -10.982 5.409 -9.773 1.00 52.41 H new ATOM 0 HE3 LYS A 83 -10.376 3.787 -9.503 1.00 52.41 H new ATOM 0 HZ1 LYS A 83 -10.046 4.481 -11.760 1.00 60.12 H new ATOM 0 HZ2 LYS A 83 -11.123 3.169 -11.706 1.00 60.12 H new ATOM 0 HZ3 LYS A 83 -11.711 4.741 -11.968 1.00 60.12 H new ATOM 1204 N PRO A 84 -14.844 5.984 -5.951 1.00 11.41 N ATOM 1205 CA PRO A 84 -16.223 5.568 -5.870 1.00 22.41 C ATOM 1206 C PRO A 84 -16.370 4.330 -6.760 1.00 55.54 C ATOM 1207 O PRO A 84 -16.254 4.415 -7.985 1.00 41.24 O ATOM 1208 CB PRO A 84 -17.055 6.777 -6.283 1.00 2.41 C ATOM 1209 CG PRO A 84 -16.148 7.520 -7.253 1.00 21.41 C ATOM 1210 CD PRO A 84 -14.750 7.224 -6.714 1.00 61.33 C ATOM 0 HA PRO A 84 -16.566 5.270 -4.879 1.00 22.41 H new ATOM 0 HB2 PRO A 84 -17.990 6.478 -6.757 1.00 2.41 H new ATOM 0 HB3 PRO A 84 -17.317 7.396 -5.425 1.00 2.41 H new ATOM 0 HG2 PRO A 84 -16.271 7.161 -8.275 1.00 21.41 H new ATOM 0 HG3 PRO A 84 -16.358 8.589 -7.263 1.00 21.41 H new ATOM 0 HD2 PRO A 84 -14.035 7.122 -7.530 1.00 61.33 H new ATOM 0 HD3 PRO A 84 -14.399 8.040 -6.083 1.00 61.33 H new ATOM 1215 N LYS A 85 -16.492 3.155 -6.147 1.00 75.12 N ATOM 1216 CA LYS A 85 -16.693 1.869 -6.824 1.00 75.23 C ATOM 1217 C LYS A 85 -18.139 1.380 -6.679 1.00 14.21 C ATOM 1218 O LYS A 85 -18.464 0.218 -6.952 1.00 62.32 O ATOM 1219 CB LYS A 85 -15.619 0.882 -6.306 1.00 55.43 C ATOM 1220 CG LYS A 85 -15.436 -0.367 -7.185 1.00 31.01 C ATOM 1221 CD LYS A 85 -16.018 -1.659 -6.585 1.00 11.50 C ATOM 1222 CE LYS A 85 -16.205 -2.690 -7.704 1.00 44.25 C ATOM 1223 NZ LYS A 85 -17.249 -3.684 -7.380 1.00 62.12 N ATOM 0 H LYS A 85 -16.453 3.065 -5.132 1.00 75.12 H new ATOM 0 HA LYS A 85 -16.557 1.966 -7.901 1.00 75.23 H new ATOM 0 HB2 LYS A 85 -14.665 1.405 -6.234 1.00 55.43 H new ATOM 0 HB3 LYS A 85 -15.887 0.567 -5.297 1.00 55.43 H new ATOM 0 HG2 LYS A 85 -15.905 -0.187 -8.152 1.00 31.01 H new ATOM 0 HG3 LYS A 85 -14.372 -0.514 -7.369 1.00 31.01 H new ATOM 0 HD2 LYS A 85 -15.350 -2.052 -5.819 1.00 11.50 H new ATOM 0 HD3 LYS A 85 -16.972 -1.452 -6.100 1.00 11.50 H new ATOM 0 HE2 LYS A 85 -16.470 -2.176 -8.628 1.00 44.25 H new ATOM 0 HE3 LYS A 85 -15.260 -3.203 -7.884 1.00 44.25 H new ATOM 0 HZ1 LYS A 85 -17.340 -4.360 -8.165 1.00 62.12 H new ATOM 0 HZ2 LYS A 85 -16.986 -4.194 -6.513 1.00 62.12 H new ATOM 0 HZ3 LYS A 85 -18.157 -3.199 -7.234 1.00 62.12 H new ATOM 1233 N ILE A 86 -19.031 2.265 -6.257 1.00 53.11 N ATOM 1234 CA ILE A 86 -20.380 1.903 -5.854 1.00 4.43 C ATOM 1235 C ILE A 86 -21.143 1.418 -7.089 1.00 31.23 C ATOM 1236 O ILE A 86 -20.932 1.876 -8.218 1.00 1.34 O ATOM 1237 CB ILE A 86 -21.091 3.063 -5.109 1.00 64.04 C ATOM 1238 CG1 ILE A 86 -20.217 3.680 -3.993 1.00 0.54 C ATOM 1239 CG2 ILE A 86 -22.372 2.554 -4.418 1.00 0.11 C ATOM 1240 CD1 ILE A 86 -19.412 4.906 -4.428 1.00 21.44 C ATOM 0 H ILE A 86 -18.836 3.263 -6.185 1.00 53.11 H new ATOM 0 HA ILE A 86 -20.345 1.088 -5.131 1.00 4.43 H new ATOM 0 HB ILE A 86 -21.304 3.813 -5.871 1.00 64.04 H new ATOM 0 HG12 ILE A 86 -20.859 3.959 -3.158 1.00 0.54 H new ATOM 0 HG13 ILE A 86 -19.528 2.920 -3.625 1.00 0.54 H new ATOM 0 HG21 ILE A 86 -22.859 3.380 -3.900 1.00 0.11 H new ATOM 0 HG22 ILE A 86 -23.051 2.145 -5.166 1.00 0.11 H new ATOM 0 HG23 ILE A 86 -22.113 1.777 -3.699 1.00 0.11 H new ATOM 0 HD11 ILE A 86 -18.828 5.275 -3.585 1.00 21.44 H new ATOM 0 HD12 ILE A 86 -18.741 4.631 -5.242 1.00 21.44 H new ATOM 0 HD13 ILE A 86 -20.093 5.687 -4.767 1.00 21.44 H new ATOM 1251 N ASN A 87 -22.054 0.473 -6.866 1.00 11.11 N ATOM 1252 CA ASN A 87 -22.990 -0.007 -7.879 1.00 15.23 C ATOM 1253 C ASN A 87 -24.078 1.015 -8.251 1.00 62.31 C ATOM 1254 O ASN A 87 -24.865 0.816 -9.173 1.00 21.11 O ATOM 1255 CB ASN A 87 -23.555 -1.353 -7.425 1.00 75.13 C ATOM 1256 CG ASN A 87 -25.017 -1.305 -7.012 1.00 41.44 C ATOM 1257 OD1 ASN A 87 -25.858 -1.820 -7.738 1.00 74.12 O ATOM 1258 ND2 ASN A 87 -25.304 -0.777 -5.834 1.00 73.22 N ATOM 0 H ASN A 87 -22.164 0.013 -5.962 1.00 11.11 H new ATOM 0 HA ASN A 87 -22.446 -0.147 -8.813 1.00 15.23 H new ATOM 0 HB2 ASN A 87 -23.441 -2.074 -8.234 1.00 75.13 H new ATOM 0 HB3 ASN A 87 -22.963 -1.719 -6.586 1.00 75.13 H new ATOM 0 HD21 ASN A 87 -26.265 -0.787 -5.491 1.00 73.22 H new ATOM 0 HD22 ASN A 87 -24.565 -0.360 -5.268 1.00 73.22 H new ATOM 1264 N GLU A 88 -24.080 2.129 -7.538 1.00 1.51 N ATOM 1265 CA GLU A 88 -25.020 3.232 -7.548 1.00 63.14 C ATOM 1266 C GLU A 88 -24.151 4.482 -7.568 1.00 54.52 C ATOM 1267 O GLU A 88 -23.699 4.955 -6.528 1.00 51.22 O ATOM 1268 CB GLU A 88 -25.899 3.175 -6.293 1.00 13.30 C ATOM 1269 CG GLU A 88 -27.105 2.246 -6.471 1.00 62.02 C ATOM 1270 CD GLU A 88 -27.603 1.767 -5.107 1.00 15.32 C ATOM 1271 OE1 GLU A 88 -28.010 2.604 -4.276 1.00 3.43 O ATOM 1272 OE2 GLU A 88 -27.534 0.547 -4.836 1.00 21.30 O ATOM 0 H GLU A 88 -23.336 2.299 -6.861 1.00 1.51 H new ATOM 0 HA GLU A 88 -25.698 3.208 -8.401 1.00 63.14 H new ATOM 0 HB2 GLU A 88 -25.301 2.833 -5.448 1.00 13.30 H new ATOM 0 HB3 GLU A 88 -26.249 4.179 -6.051 1.00 13.30 H new ATOM 0 HG2 GLU A 88 -27.904 2.770 -6.995 1.00 62.02 H new ATOM 0 HG3 GLU A 88 -26.828 1.391 -7.087 1.00 62.02 H new ATOM 1277 N ASP A 89 -23.827 4.976 -8.760 1.00 64.15 N ATOM 1278 CA ASP A 89 -22.974 6.156 -8.934 1.00 75.44 C ATOM 1279 C ASP A 89 -23.792 7.443 -9.090 1.00 24.44 C ATOM 1280 O ASP A 89 -23.254 8.545 -8.983 1.00 44.32 O ATOM 1281 CB ASP A 89 -21.980 5.921 -10.074 1.00 1.53 C ATOM 1282 CG ASP A 89 -22.145 6.837 -11.284 1.00 21.01 C ATOM 1283 OD1 ASP A 89 -23.208 6.778 -11.925 1.00 12.12 O ATOM 1284 OD2 ASP A 89 -21.156 7.498 -11.679 1.00 44.32 O ATOM 0 H ASP A 89 -24.149 4.570 -9.639 1.00 64.15 H new ATOM 0 HA ASP A 89 -22.392 6.304 -8.024 1.00 75.44 H new ATOM 0 HB2 ASP A 89 -20.970 6.041 -9.683 1.00 1.53 H new ATOM 0 HB3 ASP A 89 -22.072 4.887 -10.407 1.00 1.53 H new ATOM 1288 N TRP A 90 -25.105 7.292 -9.258 1.00 73.03 N ATOM 1289 CA TRP A 90 -26.084 8.352 -9.469 1.00 64.01 C ATOM 1290 C TRP A 90 -27.208 8.336 -8.423 1.00 72.24 C ATOM 1291 O TRP A 90 -28.157 9.110 -8.552 1.00 31.30 O ATOM 1292 CB TRP A 90 -26.606 8.267 -10.917 1.00 53.51 C ATOM 1293 CG TRP A 90 -27.177 6.942 -11.345 1.00 45.11 C ATOM 1294 CD1 TRP A 90 -26.453 5.888 -11.784 1.00 53.12 C ATOM 1295 CD2 TRP A 90 -28.573 6.520 -11.437 1.00 34.43 C ATOM 1296 NE1 TRP A 90 -27.290 4.844 -12.114 1.00 42.31 N ATOM 1297 CE2 TRP A 90 -28.609 5.165 -11.885 1.00 71.33 C ATOM 1298 CE3 TRP A 90 -29.817 7.137 -11.184 1.00 53.55 C ATOM 1299 CZ2 TRP A 90 -29.805 4.446 -12.028 1.00 14.20 C ATOM 1300 CZ3 TRP A 90 -31.029 6.437 -11.347 1.00 53.44 C ATOM 1301 CH2 TRP A 90 -31.024 5.092 -11.758 1.00 63.41 C ATOM 0 H TRP A 90 -25.538 6.368 -9.250 1.00 73.03 H new ATOM 0 HA TRP A 90 -25.597 9.318 -9.331 1.00 64.01 H new ATOM 0 HB2 TRP A 90 -27.374 9.029 -11.049 1.00 53.51 H new ATOM 0 HB3 TRP A 90 -25.787 8.520 -11.591 1.00 53.51 H new ATOM 0 HD1 TRP A 90 -25.376 5.867 -11.864 1.00 53.12 H new ATOM 0 HE1 TRP A 90 -26.972 3.947 -12.481 1.00 42.31 H new ATOM 0 HE3 TRP A 90 -29.840 8.167 -10.859 1.00 53.55 H new ATOM 0 HZ2 TRP A 90 -29.790 3.412 -12.341 1.00 14.20 H new ATOM 0 HZ3 TRP A 90 -31.967 6.936 -11.155 1.00 53.44 H new ATOM 0 HH2 TRP A 90 -31.955 4.556 -11.866 1.00 63.41 H new ATOM 1311 N LEU A 91 -27.095 7.476 -7.400 1.00 11.40 N ATOM 1312 CA LEU A 91 -27.965 7.488 -6.219 1.00 5.11 C ATOM 1313 C LEU A 91 -27.105 7.897 -5.046 1.00 12.20 C ATOM 1314 O LEU A 91 -27.070 9.096 -4.709 1.00 51.12 O ATOM 1315 CB LEU A 91 -28.679 6.148 -5.933 1.00 62.02 C ATOM 1316 CG LEU A 91 -29.972 5.882 -6.713 1.00 51.14 C ATOM 1317 CD1 LEU A 91 -29.701 5.634 -8.195 1.00 73.31 C ATOM 1318 CD2 LEU A 91 -30.678 4.655 -6.127 1.00 40.31 C ATOM 0 H LEU A 91 -26.386 6.743 -7.371 1.00 11.40 H new ATOM 0 HA LEU A 91 -28.778 8.191 -6.401 1.00 5.11 H new ATOM 0 HB2 LEU A 91 -27.981 5.338 -6.143 1.00 62.02 H new ATOM 0 HB3 LEU A 91 -28.908 6.104 -4.868 1.00 62.02 H new ATOM 0 HG LEU A 91 -30.600 6.768 -6.624 1.00 51.14 H new ATOM 0 HD11 LEU A 91 -30.643 5.450 -8.711 1.00 73.31 H new ATOM 0 HD12 LEU A 91 -29.215 6.509 -8.627 1.00 73.31 H new ATOM 0 HD13 LEU A 91 -29.051 4.766 -8.306 1.00 73.31 H new ATOM 0 HD21 LEU A 91 -31.597 4.465 -6.681 1.00 40.31 H new ATOM 0 HD22 LEU A 91 -30.023 3.787 -6.203 1.00 40.31 H new ATOM 0 HD23 LEU A 91 -30.917 4.838 -5.079 1.00 40.31 H new TER 1329 LEU A 91