USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 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 57 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Set 1.2: A 80 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 2 SER OG : rot 44:sc= 0.583 USER MOD Set 2.2: A 4 ASN : amide:sc= 0.276 X(o=0.86,f=0.6) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0439 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.071) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00156 USER MOD Single : A 15 GLN : amide:sc= -0.0909 X(o=-0.091,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 1.03 (180deg=0.905) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= 1.12 (180deg=1.04) USER MOD Single : A 25 TYR OH : rot 165:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc=-0.000162 X(o=-0.00016,f=-0.00016) USER MOD Single : A 33 SER OG : rot -44:sc= 0.0155 USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= 0.936 (180deg=0.524) USER MOD Single : A 47 ASN : amide:sc= 0.237 K(o=0.24,f=-4.9!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 0.948 (180deg=0.752) USER MOD Single : A 61 SER OG : rot 13:sc= 1.03 USER MOD Single : A 64 SER OG : rot 110:sc= 1.28 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= 1.27 (180deg=0.951) USER MOD Single : A 70 SER OG : rot -76:sc= 1.38 USER MOD Single : A 74 CYS SG : rot -25:sc= 0.00443 USER MOD Single : A 77 MET CE :methyl -119:sc= -7.2! (180deg=-12.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 76:sc= 1.01 USER MOD Single : A 82 GLN : amide:sc= 0.624 K(o=0.62,f=-0.2) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.338 -3.140 -7.713 1.00 60.53 N ATOM 2 CA GLY A 1 13.882 -1.920 -7.047 1.00 53.24 C ATOM 3 C GLY A 1 14.945 -1.417 -6.116 1.00 73.53 C ATOM 4 O GLY A 1 16.144 -1.575 -6.356 1.00 11.01 O ATOM 0 H1 GLY A 1 14.160 -3.065 -8.735 1.00 60.53 H new ATOM 0 H2 GLY A 1 15.357 -3.266 -7.547 1.00 60.53 H new ATOM 0 H3 GLY A 1 13.821 -3.958 -7.331 1.00 60.53 H new ATOM 0 HA2 GLY A 1 13.646 -1.157 -7.789 1.00 53.24 H new ATOM 0 HA3 GLY A 1 12.965 -2.119 -6.492 1.00 53.24 H new ATOM 8 N SER A 2 14.492 -0.809 -5.042 1.00 63.13 N ATOM 9 CA SER A 2 15.297 -0.034 -4.131 1.00 15.23 C ATOM 10 C SER A 2 15.420 -0.776 -2.795 1.00 55.11 C ATOM 11 O SER A 2 14.966 -1.920 -2.666 1.00 35.23 O ATOM 12 CB SER A 2 14.692 1.377 -4.082 1.00 34.21 C ATOM 13 OG SER A 2 13.293 1.416 -4.308 1.00 72.12 O ATOM 0 H SER A 2 13.510 -0.844 -4.770 1.00 63.13 H new ATOM 0 HA SER A 2 16.331 0.088 -4.453 1.00 15.23 H new ATOM 0 HB2 SER A 2 14.904 1.818 -3.108 1.00 34.21 H new ATOM 0 HB3 SER A 2 15.187 1.999 -4.828 1.00 34.21 H new ATOM 0 HG SER A 2 12.861 0.693 -3.808 1.00 72.12 H new ATOM 19 N GLU A 3 16.078 -0.164 -1.810 1.00 51.32 N ATOM 20 CA GLU A 3 16.290 -0.732 -0.479 1.00 61.45 C ATOM 21 C GLU A 3 14.994 -1.235 0.154 1.00 74.23 C ATOM 22 O GLU A 3 15.005 -2.267 0.824 1.00 34.13 O ATOM 23 CB GLU A 3 16.937 0.322 0.428 1.00 15.03 C ATOM 24 CG GLU A 3 16.016 1.532 0.678 1.00 3.02 C ATOM 25 CD GLU A 3 16.741 2.720 1.291 1.00 72.55 C ATOM 26 OE1 GLU A 3 17.493 3.382 0.536 1.00 54.34 O ATOM 27 OE2 GLU A 3 16.498 3.019 2.480 1.00 20.20 O ATOM 0 H GLU A 3 16.488 0.763 -1.919 1.00 51.32 H new ATOM 0 HA GLU A 3 16.949 -1.593 -0.589 1.00 61.45 H new ATOM 0 HB2 GLU A 3 17.197 -0.135 1.382 1.00 15.03 H new ATOM 0 HB3 GLU A 3 17.867 0.665 -0.025 1.00 15.03 H new ATOM 0 HG2 GLU A 3 15.564 1.838 -0.266 1.00 3.02 H new ATOM 0 HG3 GLU A 3 15.202 1.231 1.338 1.00 3.02 H new ATOM 34 N ASN A 4 13.892 -0.509 -0.071 1.00 43.23 N ATOM 35 CA ASN A 4 12.638 -0.695 0.647 1.00 24.31 C ATOM 36 C ASN A 4 12.139 -2.107 0.391 1.00 32.53 C ATOM 37 O ASN A 4 11.591 -2.725 1.297 1.00 52.22 O ATOM 38 CB ASN A 4 11.558 0.327 0.240 1.00 55.13 C ATOM 39 CG ASN A 4 12.098 1.690 -0.170 1.00 43.24 C ATOM 40 OD1 ASN A 4 12.292 2.587 0.644 1.00 62.14 O ATOM 41 ND2 ASN A 4 12.374 1.874 -1.446 1.00 12.42 N ATOM 0 H ASN A 4 13.852 0.234 -0.769 1.00 43.23 H new ATOM 0 HA ASN A 4 12.831 -0.536 1.708 1.00 24.31 H new ATOM 0 HB2 ASN A 4 10.981 -0.084 -0.588 1.00 55.13 H new ATOM 0 HB3 ASN A 4 10.869 0.460 1.074 1.00 55.13 H new ATOM 0 HD21 ASN A 4 12.752 2.767 -1.762 1.00 12.42 H new ATOM 0 HD22 ASN A 4 12.210 1.123 -2.117 1.00 12.42 H new ATOM 48 N PHE A 5 12.362 -2.630 -0.817 1.00 42.34 N ATOM 49 CA PHE A 5 12.038 -3.984 -1.232 1.00 53.11 C ATOM 50 C PHE A 5 12.429 -5.003 -0.170 1.00 32.52 C ATOM 51 O PHE A 5 11.595 -5.801 0.240 1.00 54.34 O ATOM 52 CB PHE A 5 12.741 -4.270 -2.561 1.00 41.13 C ATOM 53 CG PHE A 5 12.369 -5.566 -3.256 1.00 52.02 C ATOM 54 CD1 PHE A 5 11.035 -5.813 -3.626 1.00 32.11 C ATOM 55 CD2 PHE A 5 13.364 -6.498 -3.602 1.00 44.42 C ATOM 56 CE1 PHE A 5 10.704 -6.975 -4.346 1.00 22.35 C ATOM 57 CE2 PHE A 5 13.035 -7.636 -4.356 1.00 72.53 C ATOM 58 CZ PHE A 5 11.706 -7.872 -4.738 1.00 32.12 C ATOM 0 H PHE A 5 12.795 -2.088 -1.565 1.00 42.34 H new ATOM 0 HA PHE A 5 10.960 -4.071 -1.364 1.00 53.11 H new ATOM 0 HB2 PHE A 5 12.532 -3.445 -3.242 1.00 41.13 H new ATOM 0 HB3 PHE A 5 13.817 -4.274 -2.385 1.00 41.13 H new ATOM 0 HD1 PHE A 5 10.262 -5.108 -3.356 1.00 32.11 H new ATOM 0 HD2 PHE A 5 14.384 -6.338 -3.287 1.00 44.42 H new ATOM 0 HE1 PHE A 5 9.673 -7.176 -4.598 1.00 22.35 H new ATOM 0 HE2 PHE A 5 13.809 -8.333 -4.643 1.00 72.53 H new ATOM 0 HZ PHE A 5 11.457 -8.740 -5.331 1.00 32.12 H new ATOM 68 N GLN A 6 13.690 -4.985 0.281 1.00 35.40 N ATOM 69 CA GLN A 6 14.160 -5.989 1.224 1.00 61.42 C ATOM 70 C GLN A 6 13.452 -5.838 2.570 1.00 61.35 C ATOM 71 O GLN A 6 13.056 -6.844 3.162 1.00 41.42 O ATOM 72 CB GLN A 6 15.683 -5.898 1.388 1.00 34.51 C ATOM 73 CG GLN A 6 16.237 -7.006 2.300 1.00 52.35 C ATOM 74 CD GLN A 6 16.080 -8.406 1.700 1.00 33.35 C ATOM 75 OE1 GLN A 6 16.975 -8.902 1.011 1.00 23.11 O ATOM 76 NE2 GLN A 6 14.961 -9.069 1.942 1.00 61.31 N ATOM 0 H GLN A 6 14.389 -4.294 0.009 1.00 35.40 H new ATOM 0 HA GLN A 6 13.920 -6.976 0.829 1.00 61.42 H new ATOM 0 HB2 GLN A 6 16.157 -5.965 0.409 1.00 34.51 H new ATOM 0 HB3 GLN A 6 15.944 -4.924 1.802 1.00 34.51 H new ATOM 0 HG2 GLN A 6 17.293 -6.816 2.494 1.00 52.35 H new ATOM 0 HG3 GLN A 6 15.724 -6.969 3.261 1.00 52.35 H new ATOM 0 HE21 GLN A 6 14.230 -8.645 2.514 1.00 61.31 H new ATOM 0 HE22 GLN A 6 14.829 -10.004 1.557 1.00 61.31 H new ATOM 85 N THR A 7 13.304 -4.606 3.055 1.00 23.14 N ATOM 86 CA THR A 7 12.637 -4.320 4.315 1.00 62.23 C ATOM 87 C THR A 7 11.169 -4.781 4.247 1.00 12.11 C ATOM 88 O THR A 7 10.649 -5.354 5.204 1.00 12.33 O ATOM 89 CB THR A 7 12.800 -2.815 4.620 1.00 41.04 C ATOM 90 OG1 THR A 7 14.141 -2.393 4.398 1.00 15.14 O ATOM 91 CG2 THR A 7 12.476 -2.522 6.080 1.00 73.23 C ATOM 0 H THR A 7 13.649 -3.774 2.576 1.00 23.14 H new ATOM 0 HA THR A 7 13.087 -4.873 5.140 1.00 62.23 H new ATOM 0 HB THR A 7 12.117 -2.283 3.958 1.00 41.04 H new ATOM 0 HG1 THR A 7 14.220 -1.436 4.596 1.00 15.14 H new ATOM 0 HG21 THR A 7 12.597 -1.456 6.273 1.00 73.23 H new ATOM 0 HG22 THR A 7 11.447 -2.814 6.290 1.00 73.23 H new ATOM 0 HG23 THR A 7 13.152 -3.086 6.723 1.00 73.23 H new ATOM 99 N LEU A 8 10.510 -4.598 3.100 1.00 0.01 N ATOM 100 CA LEU A 8 9.135 -5.001 2.837 1.00 51.34 C ATOM 101 C LEU A 8 8.995 -6.519 2.771 1.00 55.32 C ATOM 102 O LEU A 8 7.984 -7.034 3.250 1.00 43.42 O ATOM 103 CB LEU A 8 8.664 -4.394 1.509 1.00 54.44 C ATOM 104 CG LEU A 8 8.088 -2.960 1.551 1.00 23.24 C ATOM 105 CD1 LEU A 8 8.596 -2.025 2.660 1.00 15.43 C ATOM 106 CD2 LEU A 8 8.341 -2.304 0.188 1.00 54.31 C ATOM 0 H LEU A 8 10.944 -4.144 2.296 1.00 0.01 H new ATOM 0 HA LEU A 8 8.519 -4.637 3.659 1.00 51.34 H new ATOM 0 HB2 LEU A 8 9.507 -4.399 0.818 1.00 54.44 H new ATOM 0 HB3 LEU A 8 7.903 -5.051 1.089 1.00 54.44 H new ATOM 0 HG LEU A 8 7.032 -3.092 1.787 1.00 23.24 H new ATOM 0 HD11 LEU A 8 8.109 -1.054 2.569 1.00 15.43 H new ATOM 0 HD12 LEU A 8 8.366 -2.457 3.634 1.00 15.43 H new ATOM 0 HD13 LEU A 8 9.675 -1.900 2.565 1.00 15.43 H new ATOM 0 HD21 LEU A 8 7.943 -1.289 0.193 1.00 54.31 H new ATOM 0 HD22 LEU A 8 9.413 -2.272 -0.007 1.00 54.31 H new ATOM 0 HD23 LEU A 8 7.847 -2.884 -0.592 1.00 54.31 H new ATOM 118 N LEU A 9 9.966 -7.243 2.202 1.00 4.11 N ATOM 119 CA LEU A 9 9.953 -8.708 2.229 1.00 13.42 C ATOM 120 C LEU A 9 9.965 -9.209 3.677 1.00 60.23 C ATOM 121 O LEU A 9 9.498 -10.317 3.930 1.00 64.12 O ATOM 122 CB LEU A 9 11.146 -9.329 1.460 1.00 13.15 C ATOM 123 CG LEU A 9 10.947 -9.725 -0.019 1.00 31.44 C ATOM 124 CD1 LEU A 9 9.658 -10.502 -0.305 1.00 0.32 C ATOM 125 CD2 LEU A 9 11.032 -8.541 -0.977 1.00 33.43 C ATOM 0 H LEU A 9 10.768 -6.838 1.719 1.00 4.11 H new ATOM 0 HA LEU A 9 9.038 -9.024 1.729 1.00 13.42 H new ATOM 0 HB2 LEU A 9 11.973 -8.620 1.504 1.00 13.15 H new ATOM 0 HB3 LEU A 9 11.461 -10.221 2.002 1.00 13.15 H new ATOM 0 HG LEU A 9 11.786 -10.396 -0.202 1.00 31.44 H new ATOM 0 HD11 LEU A 9 9.603 -10.737 -1.368 1.00 0.32 H new ATOM 0 HD12 LEU A 9 9.655 -11.427 0.272 1.00 0.32 H new ATOM 0 HD13 LEU A 9 8.797 -9.896 -0.023 1.00 0.32 H new ATOM 0 HD21 LEU A 9 10.883 -8.889 -1.999 1.00 33.43 H new ATOM 0 HD22 LEU A 9 10.260 -7.813 -0.726 1.00 33.43 H new ATOM 0 HD23 LEU A 9 12.013 -8.074 -0.892 1.00 33.43 H new ATOM 137 N ASP A 10 10.484 -8.435 4.635 1.00 3.11 N ATOM 138 CA ASP A 10 10.485 -8.829 6.051 1.00 71.00 C ATOM 139 C ASP A 10 9.297 -8.232 6.811 1.00 23.35 C ATOM 140 O ASP A 10 8.976 -8.653 7.923 1.00 73.01 O ATOM 141 CB ASP A 10 11.809 -8.461 6.733 1.00 61.02 C ATOM 142 CG ASP A 10 12.184 -9.558 7.737 1.00 15.52 C ATOM 143 OD1 ASP A 10 12.721 -10.590 7.273 1.00 12.21 O ATOM 144 OD2 ASP A 10 11.922 -9.407 8.953 1.00 3.12 O ATOM 0 H ASP A 10 10.912 -7.526 4.456 1.00 3.11 H new ATOM 0 HA ASP A 10 10.380 -9.914 6.078 1.00 71.00 H new ATOM 0 HB2 ASP A 10 12.597 -8.349 5.988 1.00 61.02 H new ATOM 0 HB3 ASP A 10 11.715 -7.502 7.243 1.00 61.02 H new ATOM 149 N ALA A 11 8.579 -7.281 6.205 1.00 71.04 N ATOM 150 CA ALA A 11 7.373 -6.676 6.761 1.00 2.34 C ATOM 151 C ALA A 11 6.183 -7.656 6.774 1.00 44.30 C ATOM 152 O ALA A 11 5.099 -7.320 7.262 1.00 62.04 O ATOM 153 CB ALA A 11 7.035 -5.395 5.996 1.00 74.22 C ATOM 0 H ALA A 11 8.830 -6.904 5.291 1.00 71.04 H new ATOM 0 HA ALA A 11 7.572 -6.422 7.802 1.00 2.34 H new ATOM 0 HB1 ALA A 11 6.134 -4.948 6.415 1.00 74.22 H new ATOM 0 HB2 ALA A 11 7.863 -4.691 6.081 1.00 74.22 H new ATOM 0 HB3 ALA A 11 6.867 -5.632 4.945 1.00 74.22 H new ATOM 159 N GLY A 12 6.362 -8.874 6.260 1.00 22.21 N ATOM 160 CA GLY A 12 5.340 -9.909 6.218 1.00 13.51 C ATOM 161 C GLY A 12 4.764 -10.140 4.831 1.00 14.22 C ATOM 162 O GLY A 12 3.813 -10.915 4.679 1.00 51.42 O ATOM 0 H GLY A 12 7.248 -9.171 5.851 1.00 22.21 H new ATOM 0 HA2 GLY A 12 5.765 -10.843 6.586 1.00 13.51 H new ATOM 0 HA3 GLY A 12 4.532 -9.638 6.897 1.00 13.51 H new ATOM 166 N LEU A 13 5.278 -9.415 3.841 1.00 62.31 N ATOM 167 CA LEU A 13 4.615 -9.189 2.574 1.00 54.30 C ATOM 168 C LEU A 13 5.208 -10.137 1.536 1.00 11.05 C ATOM 169 O LEU A 13 6.415 -10.385 1.561 1.00 1.11 O ATOM 170 CB LEU A 13 4.819 -7.726 2.141 1.00 74.51 C ATOM 171 CG LEU A 13 4.403 -6.686 3.205 1.00 2.44 C ATOM 172 CD1 LEU A 13 4.891 -5.272 2.858 1.00 33.11 C ATOM 173 CD2 LEU A 13 2.883 -6.680 3.367 1.00 24.03 C ATOM 0 H LEU A 13 6.189 -8.961 3.906 1.00 62.31 H new ATOM 0 HA LEU A 13 3.546 -9.378 2.668 1.00 54.30 H new ATOM 0 HB2 LEU A 13 5.870 -7.575 1.894 1.00 74.51 H new ATOM 0 HB3 LEU A 13 4.248 -7.546 1.230 1.00 74.51 H new ATOM 0 HG LEU A 13 4.875 -6.978 4.143 1.00 2.44 H new ATOM 0 HD11 LEU A 13 4.574 -4.577 3.635 1.00 33.11 H new ATOM 0 HD12 LEU A 13 5.979 -5.269 2.790 1.00 33.11 H new ATOM 0 HD13 LEU A 13 4.467 -4.965 1.902 1.00 33.11 H new ATOM 0 HD21 LEU A 13 2.600 -5.944 4.119 1.00 24.03 H new ATOM 0 HD22 LEU A 13 2.417 -6.424 2.416 1.00 24.03 H new ATOM 0 HD23 LEU A 13 2.547 -7.668 3.682 1.00 24.03 H new ATOM 185 N PRO A 14 4.403 -10.642 0.592 1.00 41.11 N ATOM 186 CA PRO A 14 4.913 -11.487 -0.470 1.00 71.24 C ATOM 187 C PRO A 14 5.774 -10.672 -1.436 1.00 55.31 C ATOM 188 O PRO A 14 5.672 -9.440 -1.502 1.00 40.30 O ATOM 189 CB PRO A 14 3.677 -12.073 -1.150 1.00 2.05 C ATOM 190 CG PRO A 14 2.623 -11.003 -0.921 1.00 60.33 C ATOM 191 CD PRO A 14 2.974 -10.427 0.444 1.00 44.44 C ATOM 0 HA PRO A 14 5.561 -12.280 -0.097 1.00 71.24 H new ATOM 0 HB2 PRO A 14 3.847 -12.252 -2.212 1.00 2.05 H new ATOM 0 HB3 PRO A 14 3.387 -13.026 -0.709 1.00 2.05 H new ATOM 0 HG2 PRO A 14 2.655 -10.238 -1.697 1.00 60.33 H new ATOM 0 HG3 PRO A 14 1.618 -11.424 -0.930 1.00 60.33 H new ATOM 0 HD2 PRO A 14 2.728 -9.367 0.499 1.00 44.44 H new ATOM 0 HD3 PRO A 14 2.417 -10.926 1.237 1.00 44.44 H new ATOM 199 N GLN A 15 6.561 -11.367 -2.260 1.00 62.11 N ATOM 200 CA GLN A 15 7.462 -10.749 -3.207 1.00 41.33 C ATOM 201 C GLN A 15 6.638 -9.947 -4.193 1.00 74.13 C ATOM 202 O GLN A 15 6.957 -8.789 -4.452 1.00 54.33 O ATOM 203 CB GLN A 15 8.313 -11.827 -3.896 1.00 21.21 C ATOM 204 CG GLN A 15 9.154 -11.231 -5.031 1.00 21.12 C ATOM 205 CD GLN A 15 10.384 -12.069 -5.359 1.00 73.10 C ATOM 206 OE1 GLN A 15 10.294 -13.228 -5.766 1.00 61.12 O ATOM 207 NE2 GLN A 15 11.564 -11.499 -5.183 1.00 74.20 N ATOM 0 H GLN A 15 6.583 -12.387 -2.281 1.00 62.11 H new ATOM 0 HA GLN A 15 8.154 -10.072 -2.706 1.00 41.33 H new ATOM 0 HB2 GLN A 15 8.968 -12.299 -3.164 1.00 21.21 H new ATOM 0 HB3 GLN A 15 7.664 -12.608 -4.293 1.00 21.21 H new ATOM 0 HG2 GLN A 15 8.536 -11.137 -5.924 1.00 21.12 H new ATOM 0 HG3 GLN A 15 9.469 -10.225 -4.754 1.00 21.12 H new ATOM 0 HE21 GLN A 15 11.621 -10.538 -4.845 1.00 74.20 H new ATOM 0 HE22 GLN A 15 12.417 -12.020 -5.385 1.00 74.20 H new ATOM 216 N LYS A 16 5.565 -10.548 -4.714 1.00 41.10 N ATOM 217 CA LYS A 16 4.773 -9.933 -5.750 1.00 72.12 C ATOM 218 C LYS A 16 4.212 -8.561 -5.379 1.00 54.01 C ATOM 219 O LYS A 16 4.140 -7.681 -6.237 1.00 75.34 O ATOM 220 CB LYS A 16 3.652 -10.912 -6.137 1.00 24.32 C ATOM 221 CG LYS A 16 3.830 -11.394 -7.563 1.00 35.51 C ATOM 222 CD LYS A 16 3.435 -10.311 -8.570 1.00 41.33 C ATOM 223 CE LYS A 16 4.099 -10.621 -9.902 1.00 12.12 C ATOM 224 NZ LYS A 16 5.527 -10.250 -9.913 1.00 1.33 N ATOM 0 H LYS A 16 5.233 -11.468 -4.423 1.00 41.10 H new ATOM 0 HA LYS A 16 5.427 -9.735 -6.599 1.00 72.12 H new ATOM 0 HB2 LYS A 16 3.655 -11.764 -5.457 1.00 24.32 H new ATOM 0 HB3 LYS A 16 2.683 -10.424 -6.031 1.00 24.32 H new ATOM 0 HG2 LYS A 16 4.869 -11.682 -7.725 1.00 35.51 H new ATOM 0 HG3 LYS A 16 3.223 -12.284 -7.727 1.00 35.51 H new ATOM 0 HD2 LYS A 16 2.352 -10.279 -8.686 1.00 41.33 H new ATOM 0 HD3 LYS A 16 3.746 -9.330 -8.212 1.00 41.33 H new ATOM 0 HE2 LYS A 16 4.000 -11.685 -10.116 1.00 12.12 H new ATOM 0 HE3 LYS A 16 3.580 -10.086 -10.698 1.00 12.12 H new ATOM 0 HZ1 LYS A 16 5.888 -10.286 -10.888 1.00 1.33 H new ATOM 0 HZ2 LYS A 16 5.638 -9.286 -9.538 1.00 1.33 H new ATOM 0 HZ3 LYS A 16 6.063 -10.916 -9.321 1.00 1.33 H new ATOM 238 N VAL A 17 3.819 -8.385 -4.120 1.00 34.11 N ATOM 239 CA VAL A 17 3.372 -7.107 -3.597 1.00 24.23 C ATOM 240 C VAL A 17 4.612 -6.234 -3.429 1.00 72.20 C ATOM 241 O VAL A 17 4.641 -5.133 -3.977 1.00 1.05 O ATOM 242 CB VAL A 17 2.581 -7.314 -2.289 1.00 44.42 C ATOM 243 CG1 VAL A 17 2.072 -5.994 -1.698 1.00 11.02 C ATOM 244 CG2 VAL A 17 1.344 -8.180 -2.553 1.00 33.32 C ATOM 0 H VAL A 17 3.804 -9.137 -3.431 1.00 34.11 H new ATOM 0 HA VAL A 17 2.682 -6.605 -4.275 1.00 24.23 H new ATOM 0 HB VAL A 17 3.270 -7.788 -1.590 1.00 44.42 H new ATOM 0 HG11 VAL A 17 1.522 -6.195 -0.779 1.00 11.02 H new ATOM 0 HG12 VAL A 17 2.918 -5.343 -1.479 1.00 11.02 H new ATOM 0 HG13 VAL A 17 1.413 -5.504 -2.415 1.00 11.02 H new ATOM 0 HG21 VAL A 17 0.793 -8.320 -1.623 1.00 33.32 H new ATOM 0 HG22 VAL A 17 0.703 -7.686 -3.284 1.00 33.32 H new ATOM 0 HG23 VAL A 17 1.655 -9.150 -2.940 1.00 33.32 H new ATOM 254 N ALA A 18 5.646 -6.728 -2.732 1.00 12.14 N ATOM 255 CA ALA A 18 6.849 -5.971 -2.392 1.00 52.21 C ATOM 256 C ALA A 18 7.487 -5.314 -3.604 1.00 34.35 C ATOM 257 O ALA A 18 7.952 -4.186 -3.488 1.00 13.03 O ATOM 258 CB ALA A 18 7.857 -6.855 -1.657 1.00 44.32 C ATOM 0 H ALA A 18 5.665 -7.686 -2.384 1.00 12.14 H new ATOM 0 HA ALA A 18 6.538 -5.166 -1.725 1.00 52.21 H new ATOM 0 HB1 ALA A 18 8.744 -6.270 -1.414 1.00 44.32 H new ATOM 0 HB2 ALA A 18 7.408 -7.232 -0.738 1.00 44.32 H new ATOM 0 HB3 ALA A 18 8.138 -7.693 -2.294 1.00 44.32 H new ATOM 264 N GLU A 19 7.456 -5.969 -4.764 1.00 0.23 N ATOM 265 CA GLU A 19 7.959 -5.417 -6.012 1.00 2.34 C ATOM 266 C GLU A 19 7.363 -4.033 -6.271 1.00 12.02 C ATOM 267 O GLU A 19 8.086 -3.058 -6.484 1.00 52.45 O ATOM 268 CB GLU A 19 7.568 -6.326 -7.183 1.00 53.24 C ATOM 269 CG GLU A 19 8.269 -7.677 -7.354 1.00 24.41 C ATOM 270 CD GLU A 19 8.080 -8.072 -8.819 1.00 11.32 C ATOM 271 OE1 GLU A 19 6.929 -8.034 -9.329 1.00 62.20 O ATOM 272 OE2 GLU A 19 9.097 -8.231 -9.539 1.00 24.33 O ATOM 0 H GLU A 19 7.075 -6.910 -4.860 1.00 0.23 H new ATOM 0 HA GLU A 19 9.043 -5.343 -5.930 1.00 2.34 H new ATOM 0 HB2 GLU A 19 6.498 -6.521 -7.103 1.00 53.24 H new ATOM 0 HB3 GLU A 19 7.721 -5.760 -8.102 1.00 53.24 H new ATOM 0 HG2 GLU A 19 9.327 -7.601 -7.105 1.00 24.41 H new ATOM 0 HG3 GLU A 19 7.838 -8.426 -6.690 1.00 24.41 H new ATOM 279 N LYS A 20 6.028 -3.968 -6.291 1.00 32.50 N ATOM 280 CA LYS A 20 5.304 -2.737 -6.578 1.00 44.35 C ATOM 281 C LYS A 20 5.318 -1.815 -5.360 1.00 34.54 C ATOM 282 O LYS A 20 5.307 -0.597 -5.530 1.00 20.20 O ATOM 283 CB LYS A 20 3.861 -3.064 -7.000 1.00 12.32 C ATOM 284 CG LYS A 20 3.678 -3.381 -8.494 1.00 53.04 C ATOM 285 CD LYS A 20 4.281 -4.699 -9.015 1.00 21.12 C ATOM 286 CE LYS A 20 5.653 -4.465 -9.660 1.00 71.33 C ATOM 287 NZ LYS A 20 6.105 -5.603 -10.490 1.00 64.50 N ATOM 0 H LYS A 20 5.424 -4.769 -6.108 1.00 32.50 H new ATOM 0 HA LYS A 20 5.797 -2.218 -7.400 1.00 44.35 H new ATOM 0 HB2 LYS A 20 3.512 -3.917 -6.417 1.00 12.32 H new ATOM 0 HB3 LYS A 20 3.222 -2.219 -6.742 1.00 12.32 H new ATOM 0 HG2 LYS A 20 2.609 -3.391 -8.708 1.00 53.04 H new ATOM 0 HG3 LYS A 20 4.111 -2.562 -9.068 1.00 53.04 H new ATOM 0 HD2 LYS A 20 4.379 -5.407 -8.192 1.00 21.12 H new ATOM 0 HD3 LYS A 20 3.606 -5.148 -9.743 1.00 21.12 H new ATOM 0 HE2 LYS A 20 5.610 -3.568 -10.277 1.00 71.33 H new ATOM 0 HE3 LYS A 20 6.389 -4.279 -8.878 1.00 71.33 H new ATOM 0 HZ1 LYS A 20 6.928 -5.314 -11.057 1.00 64.50 H new ATOM 0 HZ2 LYS A 20 6.370 -6.398 -9.874 1.00 64.50 H new ATOM 0 HZ3 LYS A 20 5.335 -5.898 -11.124 1.00 64.50 H new ATOM 301 N LEU A 21 5.311 -2.372 -4.145 1.00 60.43 N ATOM 302 CA LEU A 21 5.205 -1.625 -2.894 1.00 34.34 C ATOM 303 C LEU A 21 6.488 -0.859 -2.600 1.00 62.55 C ATOM 304 O LEU A 21 6.416 0.254 -2.096 1.00 60.32 O ATOM 305 CB LEU A 21 4.762 -2.579 -1.761 1.00 11.24 C ATOM 306 CG LEU A 21 3.938 -1.886 -0.653 1.00 54.41 C ATOM 307 CD1 LEU A 21 2.707 -2.688 -0.229 1.00 23.52 C ATOM 308 CD2 LEU A 21 4.763 -1.607 0.587 1.00 22.20 C ATOM 0 H LEU A 21 5.381 -3.380 -4.004 1.00 60.43 H new ATOM 0 HA LEU A 21 4.435 -0.858 -2.979 1.00 34.34 H new ATOM 0 HB2 LEU A 21 4.170 -3.388 -2.190 1.00 11.24 H new ATOM 0 HB3 LEU A 21 5.646 -3.033 -1.314 1.00 11.24 H new ATOM 0 HG LEU A 21 3.614 -0.948 -1.103 1.00 54.41 H new ATOM 0 HD11 LEU A 21 2.172 -2.147 0.552 1.00 23.52 H new ATOM 0 HD12 LEU A 21 2.051 -2.829 -1.088 1.00 23.52 H new ATOM 0 HD13 LEU A 21 3.020 -3.660 0.152 1.00 23.52 H new ATOM 0 HD21 LEU A 21 4.140 -1.119 1.337 1.00 22.20 H new ATOM 0 HD22 LEU A 21 5.146 -2.545 0.988 1.00 22.20 H new ATOM 0 HD23 LEU A 21 5.598 -0.955 0.330 1.00 22.20 H new ATOM 320 N ASP A 22 7.644 -1.385 -3.001 1.00 64.31 N ATOM 321 CA ASP A 22 8.944 -0.722 -2.909 1.00 12.12 C ATOM 322 C ASP A 22 8.947 0.614 -3.651 1.00 53.25 C ATOM 323 O ASP A 22 9.365 1.629 -3.102 1.00 14.44 O ATOM 324 CB ASP A 22 9.987 -1.687 -3.478 1.00 4.24 C ATOM 325 CG ASP A 22 11.309 -1.030 -3.852 1.00 75.44 C ATOM 326 OD1 ASP A 22 12.001 -0.460 -2.975 1.00 3.33 O ATOM 327 OD2 ASP A 22 11.678 -1.138 -5.039 1.00 74.53 O ATOM 0 H ASP A 22 7.704 -2.316 -3.413 1.00 64.31 H new ATOM 0 HA ASP A 22 9.176 -0.485 -1.871 1.00 12.12 H new ATOM 0 HB2 ASP A 22 10.178 -2.470 -2.745 1.00 4.24 H new ATOM 0 HB3 ASP A 22 9.573 -2.172 -4.362 1.00 4.24 H new ATOM 332 N GLU A 23 8.398 0.634 -4.865 1.00 24.10 N ATOM 333 CA GLU A 23 8.317 1.819 -5.717 1.00 75.41 C ATOM 334 C GLU A 23 7.536 2.959 -5.077 1.00 12.41 C ATOM 335 O GLU A 23 7.752 4.128 -5.391 1.00 4.03 O ATOM 336 CB GLU A 23 7.623 1.425 -7.027 1.00 0.34 C ATOM 337 CG GLU A 23 8.578 1.532 -8.220 1.00 22.53 C ATOM 338 CD GLU A 23 8.588 2.911 -8.892 1.00 3.12 C ATOM 339 OE1 GLU A 23 7.808 3.806 -8.485 1.00 31.31 O ATOM 340 OE2 GLU A 23 9.329 3.076 -9.879 1.00 0.02 O ATOM 0 H GLU A 23 7.987 -0.195 -5.294 1.00 24.10 H new ATOM 0 HA GLU A 23 9.334 2.175 -5.884 1.00 75.41 H new ATOM 0 HB2 GLU A 23 7.248 0.404 -6.949 1.00 0.34 H new ATOM 0 HB3 GLU A 23 6.760 2.070 -7.191 1.00 0.34 H new ATOM 0 HG2 GLU A 23 9.588 1.295 -7.886 1.00 22.53 H new ATOM 0 HG3 GLU A 23 8.303 0.781 -8.960 1.00 22.53 H new ATOM 347 N ILE A 24 6.598 2.636 -4.191 1.00 51.33 N ATOM 348 CA ILE A 24 5.742 3.632 -3.561 1.00 0.43 C ATOM 349 C ILE A 24 6.585 4.517 -2.627 1.00 63.53 C ATOM 350 O ILE A 24 6.171 5.630 -2.304 1.00 21.44 O ATOM 351 CB ILE A 24 4.582 2.927 -2.822 1.00 14.22 C ATOM 352 CG1 ILE A 24 3.817 2.018 -3.804 1.00 72.45 C ATOM 353 CG2 ILE A 24 3.582 3.842 -2.106 1.00 21.41 C ATOM 354 CD1 ILE A 24 2.723 1.182 -3.151 1.00 75.54 C ATOM 0 H ILE A 24 6.412 1.679 -3.891 1.00 51.33 H new ATOM 0 HA ILE A 24 5.298 4.283 -4.314 1.00 0.43 H new ATOM 0 HB ILE A 24 5.069 2.360 -2.029 1.00 14.22 H new ATOM 0 HG12 ILE A 24 3.371 2.636 -4.583 1.00 72.45 H new ATOM 0 HG13 ILE A 24 4.527 1.351 -4.293 1.00 72.45 H new ATOM 0 HG21 ILE A 24 2.815 3.236 -1.624 1.00 21.41 H new ATOM 0 HG22 ILE A 24 4.104 4.432 -1.353 1.00 21.41 H new ATOM 0 HG23 ILE A 24 3.116 4.509 -2.831 1.00 21.41 H new ATOM 0 HD11 ILE A 24 2.232 0.570 -3.908 1.00 75.54 H new ATOM 0 HD12 ILE A 24 3.163 0.536 -2.392 1.00 75.54 H new ATOM 0 HD13 ILE A 24 1.990 1.841 -2.686 1.00 75.54 H new ATOM 366 N TYR A 25 7.784 4.066 -2.261 1.00 4.42 N ATOM 367 CA TYR A 25 8.745 4.819 -1.462 1.00 11.31 C ATOM 368 C TYR A 25 9.824 5.510 -2.306 1.00 21.10 C ATOM 369 O TYR A 25 10.679 6.213 -1.761 1.00 4.14 O ATOM 370 CB TYR A 25 9.321 3.878 -0.403 1.00 22.21 C ATOM 371 CG TYR A 25 8.216 3.272 0.437 1.00 74.12 C ATOM 372 CD1 TYR A 25 7.490 4.079 1.329 1.00 71.41 C ATOM 373 CD2 TYR A 25 7.789 1.960 0.185 1.00 51.32 C ATOM 374 CE1 TYR A 25 6.325 3.596 1.950 1.00 75.32 C ATOM 375 CE2 TYR A 25 6.630 1.476 0.806 1.00 52.15 C ATOM 376 CZ TYR A 25 5.899 2.277 1.705 1.00 62.45 C ATOM 377 OH TYR A 25 4.761 1.794 2.272 1.00 61.55 O ATOM 0 H TYR A 25 8.122 3.139 -2.521 1.00 4.42 H new ATOM 0 HA TYR A 25 8.233 5.646 -0.970 1.00 11.31 H new ATOM 0 HB2 TYR A 25 9.892 3.086 -0.886 1.00 22.21 H new ATOM 0 HB3 TYR A 25 10.013 4.425 0.238 1.00 22.21 H new ATOM 0 HD1 TYR A 25 7.831 5.082 1.540 1.00 71.41 H new ATOM 0 HD2 TYR A 25 8.351 1.326 -0.485 1.00 51.32 H new ATOM 0 HE1 TYR A 25 5.759 4.234 2.612 1.00 75.32 H new ATOM 0 HE2 TYR A 25 6.292 0.473 0.592 1.00 52.15 H new ATOM 0 HH TYR A 25 4.493 0.969 1.816 1.00 61.55 H new ATOM 387 N VAL A 26 9.801 5.352 -3.632 1.00 2.01 N ATOM 388 CA VAL A 26 10.721 6.037 -4.533 1.00 75.23 C ATOM 389 C VAL A 26 10.174 7.433 -4.840 1.00 52.21 C ATOM 390 O VAL A 26 10.866 8.420 -4.599 1.00 43.04 O ATOM 391 CB VAL A 26 10.968 5.196 -5.806 1.00 62.53 C ATOM 392 CG1 VAL A 26 11.943 5.890 -6.769 1.00 1.22 C ATOM 393 CG2 VAL A 26 11.564 3.828 -5.439 1.00 15.24 C ATOM 0 H VAL A 26 9.138 4.741 -4.110 1.00 2.01 H new ATOM 0 HA VAL A 26 11.694 6.156 -4.056 1.00 75.23 H new ATOM 0 HB VAL A 26 10.001 5.078 -6.294 1.00 62.53 H new ATOM 0 HG11 VAL A 26 12.090 5.266 -7.651 1.00 1.22 H new ATOM 0 HG12 VAL A 26 11.532 6.854 -7.071 1.00 1.22 H new ATOM 0 HG13 VAL A 26 12.900 6.043 -6.270 1.00 1.22 H new ATOM 0 HG21 VAL A 26 11.732 3.249 -6.347 1.00 15.24 H new ATOM 0 HG22 VAL A 26 12.512 3.971 -4.920 1.00 15.24 H new ATOM 0 HG23 VAL A 26 10.872 3.292 -4.789 1.00 15.24 H new ATOM 403 N ALA A 27 8.940 7.532 -5.342 1.00 12.12 N ATOM 404 CA ALA A 27 8.463 8.600 -6.215 1.00 14.00 C ATOM 405 C ALA A 27 7.765 9.704 -5.419 1.00 61.12 C ATOM 406 O ALA A 27 6.737 10.233 -5.846 1.00 23.43 O ATOM 407 CB ALA A 27 7.551 7.992 -7.292 1.00 60.55 C ATOM 0 H ALA A 27 8.219 6.840 -5.141 1.00 12.12 H new ATOM 0 HA ALA A 27 9.312 9.076 -6.705 1.00 14.00 H new ATOM 0 HB1 ALA A 27 7.189 8.782 -7.950 1.00 60.55 H new ATOM 0 HB2 ALA A 27 8.113 7.263 -7.875 1.00 60.55 H new ATOM 0 HB3 ALA A 27 6.703 7.500 -6.815 1.00 60.55 H new ATOM 413 N GLY A 28 8.279 9.984 -4.225 1.00 63.12 N ATOM 414 CA GLY A 28 7.857 11.072 -3.363 1.00 31.23 C ATOM 415 C GLY A 28 6.384 11.037 -2.944 1.00 24.52 C ATOM 416 O GLY A 28 5.792 12.092 -2.689 1.00 62.21 O ATOM 0 H GLY A 28 9.034 9.432 -3.818 1.00 63.12 H new ATOM 0 HA2 GLY A 28 8.474 11.063 -2.465 1.00 31.23 H new ATOM 0 HA3 GLY A 28 8.051 12.015 -3.874 1.00 31.23 H new ATOM 420 N LEU A 29 5.787 9.841 -2.881 1.00 14.22 N ATOM 421 CA LEU A 29 4.411 9.643 -2.436 1.00 43.02 C ATOM 422 C LEU A 29 4.387 9.530 -0.922 1.00 20.52 C ATOM 423 O LEU A 29 3.831 10.406 -0.260 1.00 40.33 O ATOM 424 CB LEU A 29 3.764 8.407 -3.081 1.00 15.41 C ATOM 425 CG LEU A 29 3.547 8.538 -4.600 1.00 33.40 C ATOM 426 CD1 LEU A 29 2.738 7.319 -5.042 1.00 2.44 C ATOM 427 CD2 LEU A 29 2.842 9.818 -5.059 1.00 74.54 C ATOM 0 H LEU A 29 6.257 8.974 -3.142 1.00 14.22 H new ATOM 0 HA LEU A 29 3.824 10.505 -2.752 1.00 43.02 H new ATOM 0 HB2 LEU A 29 4.392 7.537 -2.887 1.00 15.41 H new ATOM 0 HB3 LEU A 29 2.803 8.220 -2.601 1.00 15.41 H new ATOM 0 HG LEU A 29 4.533 8.593 -5.062 1.00 33.40 H new ATOM 0 HD11 LEU A 29 2.560 7.370 -6.116 1.00 2.44 H new ATOM 0 HD12 LEU A 29 3.293 6.410 -4.809 1.00 2.44 H new ATOM 0 HD13 LEU A 29 1.783 7.306 -4.516 1.00 2.44 H new ATOM 0 HD21 LEU A 29 2.740 9.808 -6.144 1.00 74.54 H new ATOM 0 HD22 LEU A 29 1.854 9.873 -4.602 1.00 74.54 H new ATOM 0 HD23 LEU A 29 3.430 10.685 -4.757 1.00 74.54 H new ATOM 439 N VAL A 30 4.986 8.467 -0.382 1.00 21.24 N ATOM 440 CA VAL A 30 5.079 8.251 1.060 1.00 32.42 C ATOM 441 C VAL A 30 6.473 7.764 1.446 1.00 53.43 C ATOM 442 O VAL A 30 7.212 7.242 0.608 1.00 53.33 O ATOM 443 CB VAL A 30 3.995 7.264 1.553 1.00 15.12 C ATOM 444 CG1 VAL A 30 2.629 7.940 1.655 1.00 31.34 C ATOM 445 CG2 VAL A 30 3.853 6.020 0.670 1.00 60.41 C ATOM 0 H VAL A 30 5.421 7.730 -0.936 1.00 21.24 H new ATOM 0 HA VAL A 30 4.903 9.208 1.551 1.00 32.42 H new ATOM 0 HB VAL A 30 4.335 6.944 2.538 1.00 15.12 H new ATOM 0 HG11 VAL A 30 1.891 7.218 2.004 1.00 31.34 H new ATOM 0 HG12 VAL A 30 2.686 8.770 2.359 1.00 31.34 H new ATOM 0 HG13 VAL A 30 2.334 8.315 0.675 1.00 31.34 H new ATOM 0 HG21 VAL A 30 3.075 5.373 1.076 1.00 60.41 H new ATOM 0 HG22 VAL A 30 3.583 6.321 -0.342 1.00 60.41 H new ATOM 0 HG23 VAL A 30 4.799 5.480 0.648 1.00 60.41 H new ATOM 455 N ALA A 31 6.796 7.893 2.730 1.00 33.20 N ATOM 456 CA ALA A 31 7.816 7.167 3.465 1.00 60.14 C ATOM 457 C ALA A 31 7.188 5.961 4.155 1.00 54.13 C ATOM 458 O ALA A 31 5.988 5.976 4.434 1.00 3.32 O ATOM 459 CB ALA A 31 8.375 8.105 4.528 1.00 13.52 C ATOM 0 H ALA A 31 6.310 8.562 3.327 1.00 33.20 H new ATOM 0 HA ALA A 31 8.601 6.826 2.789 1.00 60.14 H new ATOM 0 HB1 ALA A 31 9.146 7.589 5.100 1.00 13.52 H new ATOM 0 HB2 ALA A 31 8.806 8.983 4.048 1.00 13.52 H new ATOM 0 HB3 ALA A 31 7.573 8.415 5.198 1.00 13.52 H new ATOM 465 N HIS A 32 7.988 4.945 4.507 1.00 75.23 N ATOM 466 CA HIS A 32 7.458 3.740 5.156 1.00 4.14 C ATOM 467 C HIS A 32 6.730 4.068 6.463 1.00 62.42 C ATOM 468 O HIS A 32 5.744 3.409 6.790 1.00 42.22 O ATOM 469 CB HIS A 32 8.552 2.688 5.390 1.00 32.40 C ATOM 470 CG HIS A 32 9.581 3.085 6.418 1.00 22.02 C ATOM 471 ND1 HIS A 32 9.556 2.726 7.748 1.00 31.10 N ATOM 472 CD2 HIS A 32 10.683 3.871 6.215 1.00 2.51 C ATOM 473 CE1 HIS A 32 10.600 3.312 8.351 1.00 52.33 C ATOM 474 NE2 HIS A 32 11.300 4.045 7.463 1.00 40.54 N ATOM 0 H HIS A 32 8.996 4.934 4.354 1.00 75.23 H new ATOM 0 HA HIS A 32 6.728 3.313 4.468 1.00 4.14 H new ATOM 0 HB2 HIS A 32 8.083 1.755 5.703 1.00 32.40 H new ATOM 0 HB3 HIS A 32 9.057 2.489 4.445 1.00 32.40 H new ATOM 0 HD2 HIS A 32 11.015 4.280 5.272 1.00 2.51 H new ATOM 0 HE1 HIS A 32 10.845 3.211 9.398 1.00 52.33 H new ATOM 0 HE2 HIS A 32 12.121 4.617 7.660 1.00 40.54 H new ATOM 482 N SER A 33 7.170 5.110 7.175 1.00 20.12 N ATOM 483 CA SER A 33 6.609 5.501 8.461 1.00 54.53 C ATOM 484 C SER A 33 5.541 6.600 8.313 1.00 61.34 C ATOM 485 O SER A 33 5.131 7.192 9.315 1.00 63.23 O ATOM 486 CB SER A 33 7.750 5.874 9.426 1.00 33.03 C ATOM 487 OG SER A 33 7.340 5.710 10.773 1.00 25.41 O ATOM 0 H SER A 33 7.935 5.710 6.866 1.00 20.12 H new ATOM 0 HA SER A 33 6.077 4.655 8.895 1.00 54.53 H new ATOM 0 HB2 SER A 33 8.620 5.249 9.227 1.00 33.03 H new ATOM 0 HB3 SER A 33 8.054 6.907 9.256 1.00 33.03 H new ATOM 0 HG SER A 33 6.442 6.085 10.890 1.00 25.41 H new ATOM 493 N ASP A 34 5.089 6.925 7.094 1.00 64.32 N ATOM 494 CA ASP A 34 3.915 7.792 6.911 1.00 11.13 C ATOM 495 C ASP A 34 2.611 6.991 7.023 1.00 40.15 C ATOM 496 O ASP A 34 1.529 7.571 7.085 1.00 72.04 O ATOM 497 CB ASP A 34 3.965 8.539 5.563 1.00 14.21 C ATOM 498 CG ASP A 34 3.577 10.025 5.658 1.00 44.33 C ATOM 499 OD1 ASP A 34 3.541 10.606 6.762 1.00 74.42 O ATOM 500 OD2 ASP A 34 3.292 10.649 4.614 1.00 55.34 O ATOM 0 H ASP A 34 5.515 6.603 6.225 1.00 64.32 H new ATOM 0 HA ASP A 34 3.938 8.533 7.710 1.00 11.13 H new ATOM 0 HB2 ASP A 34 4.972 8.462 5.154 1.00 14.21 H new ATOM 0 HB3 ASP A 34 3.296 8.043 4.859 1.00 14.21 H new ATOM 505 N LEU A 35 2.698 5.656 7.011 1.00 14.50 N ATOM 506 CA LEU A 35 1.614 4.706 7.218 1.00 12.43 C ATOM 507 C LEU A 35 1.491 4.369 8.715 1.00 21.31 C ATOM 508 O LEU A 35 2.259 4.891 9.518 1.00 23.42 O ATOM 509 CB LEU A 35 1.908 3.461 6.368 1.00 51.22 C ATOM 510 CG LEU A 35 1.925 3.669 4.838 1.00 42.43 C ATOM 511 CD1 LEU A 35 0.692 4.425 4.327 1.00 40.41 C ATOM 512 CD2 LEU A 35 3.166 4.366 4.270 1.00 21.42 C ATOM 0 H LEU A 35 3.588 5.186 6.845 1.00 14.50 H new ATOM 0 HA LEU A 35 0.658 5.127 6.909 1.00 12.43 H new ATOM 0 HB2 LEU A 35 2.876 3.061 6.670 1.00 51.22 H new ATOM 0 HB3 LEU A 35 1.162 2.702 6.602 1.00 51.22 H new ATOM 0 HG LEU A 35 1.931 2.641 4.475 1.00 42.43 H new ATOM 0 HD11 LEU A 35 0.759 4.542 3.245 1.00 40.41 H new ATOM 0 HD12 LEU A 35 -0.208 3.863 4.576 1.00 40.41 H new ATOM 0 HD13 LEU A 35 0.648 5.408 4.796 1.00 40.41 H new ATOM 0 HD21 LEU A 35 3.069 4.458 3.188 1.00 21.42 H new ATOM 0 HD22 LEU A 35 3.260 5.358 4.712 1.00 21.42 H new ATOM 0 HD23 LEU A 35 4.053 3.778 4.506 1.00 21.42 H new ATOM 524 N ASP A 36 0.541 3.518 9.118 1.00 11.44 N ATOM 525 CA ASP A 36 0.361 3.066 10.506 1.00 32.22 C ATOM 526 C ASP A 36 0.025 1.571 10.541 1.00 15.11 C ATOM 527 O ASP A 36 0.083 0.903 9.509 1.00 42.42 O ATOM 528 CB ASP A 36 -0.662 3.933 11.268 1.00 35.41 C ATOM 529 CG ASP A 36 -2.138 3.794 10.870 1.00 12.10 C ATOM 530 OD1 ASP A 36 -2.503 2.829 10.167 1.00 55.52 O ATOM 531 OD2 ASP A 36 -2.932 4.664 11.304 1.00 62.13 O ATOM 0 H ASP A 36 -0.140 3.114 8.475 1.00 11.44 H new ATOM 0 HA ASP A 36 1.304 3.198 11.036 1.00 32.22 H new ATOM 0 HB2 ASP A 36 -0.576 3.702 12.330 1.00 35.41 H new ATOM 0 HB3 ASP A 36 -0.377 4.978 11.145 1.00 35.41 H new ATOM 536 N GLU A 37 -0.254 1.007 11.721 1.00 1.42 N ATOM 537 CA GLU A 37 -0.534 -0.422 11.892 1.00 63.45 C ATOM 538 C GLU A 37 -1.690 -0.883 10.996 1.00 0.32 C ATOM 539 O GLU A 37 -1.633 -1.983 10.449 1.00 44.25 O ATOM 540 CB GLU A 37 -0.838 -0.722 13.368 1.00 55.51 C ATOM 541 CG GLU A 37 -1.058 -2.223 13.653 1.00 75.02 C ATOM 542 CD GLU A 37 -1.359 -2.533 15.125 1.00 54.53 C ATOM 543 OE1 GLU A 37 -1.487 -1.593 15.951 1.00 61.04 O ATOM 544 OE2 GLU A 37 -1.464 -3.732 15.476 1.00 13.54 O ATOM 0 H GLU A 37 -0.292 1.535 12.593 1.00 1.42 H new ATOM 0 HA GLU A 37 0.352 -0.980 11.589 1.00 63.45 H new ATOM 0 HB2 GLU A 37 -0.014 -0.360 13.982 1.00 55.51 H new ATOM 0 HB3 GLU A 37 -1.727 -0.168 13.669 1.00 55.51 H new ATOM 0 HG2 GLU A 37 -1.883 -2.583 13.039 1.00 75.02 H new ATOM 0 HG3 GLU A 37 -0.169 -2.776 13.349 1.00 75.02 H new ATOM 551 N ARG A 38 -2.714 -0.046 10.795 1.00 73.35 N ATOM 552 CA ARG A 38 -3.864 -0.404 9.970 1.00 71.41 C ATOM 553 C ARG A 38 -3.469 -0.557 8.507 1.00 71.25 C ATOM 554 O ARG A 38 -4.223 -1.165 7.749 1.00 20.14 O ATOM 555 CB ARG A 38 -4.971 0.651 10.100 1.00 55.54 C ATOM 556 CG ARG A 38 -5.522 0.769 11.526 1.00 75.15 C ATOM 557 CD ARG A 38 -6.641 1.815 11.579 1.00 35.21 C ATOM 558 NE ARG A 38 -6.105 3.187 11.680 1.00 61.45 N ATOM 559 CZ ARG A 38 -6.227 3.998 12.739 1.00 43.21 C ATOM 560 NH1 ARG A 38 -6.709 3.566 13.896 1.00 11.12 N ATOM 561 NH2 ARG A 38 -5.867 5.269 12.640 1.00 45.32 N ATOM 0 H ARG A 38 -2.766 0.890 11.197 1.00 73.35 H new ATOM 0 HA ARG A 38 -4.239 -1.363 10.328 1.00 71.41 H new ATOM 0 HB2 ARG A 38 -4.581 1.619 9.786 1.00 55.54 H new ATOM 0 HB3 ARG A 38 -5.786 0.400 9.421 1.00 55.54 H new ATOM 0 HG2 ARG A 38 -5.902 -0.197 11.857 1.00 75.15 H new ATOM 0 HG3 ARG A 38 -4.721 1.048 12.211 1.00 75.15 H new ATOM 0 HD2 ARG A 38 -7.259 1.731 10.685 1.00 35.21 H new ATOM 0 HD3 ARG A 38 -7.287 1.613 12.434 1.00 35.21 H new ATOM 0 HE ARG A 38 -5.597 3.549 10.873 1.00 61.45 H new ATOM 0 HH11 ARG A 38 -6.998 2.593 13.997 1.00 11.12 H new ATOM 0 HH12 ARG A 38 -6.790 4.207 14.686 1.00 11.12 H new ATOM 0 HH21 ARG A 38 -5.498 5.627 11.759 1.00 45.32 H new ATOM 0 HH22 ARG A 38 -5.959 5.889 13.445 1.00 45.32 H new ATOM 575 N ALA A 39 -2.328 -0.015 8.074 1.00 1.31 N ATOM 576 CA ALA A 39 -1.770 -0.297 6.762 1.00 34.30 C ATOM 577 C ALA A 39 -1.131 -1.686 6.755 1.00 53.12 C ATOM 578 O ALA A 39 -1.425 -2.490 5.874 1.00 12.54 O ATOM 579 CB ALA A 39 -0.755 0.788 6.381 1.00 43.55 C ATOM 0 H ALA A 39 -1.769 0.632 8.629 1.00 1.31 H new ATOM 0 HA ALA A 39 -2.567 -0.289 6.018 1.00 34.30 H new ATOM 0 HB1 ALA A 39 -0.341 0.570 5.397 1.00 43.55 H new ATOM 0 HB2 ALA A 39 -1.251 1.758 6.359 1.00 43.55 H new ATOM 0 HB3 ALA A 39 0.049 0.808 7.116 1.00 43.55 H new ATOM 585 N ILE A 40 -0.251 -1.955 7.720 1.00 55.52 N ATOM 586 CA ILE A 40 0.555 -3.171 7.811 1.00 55.43 C ATOM 587 C ILE A 40 -0.347 -4.400 7.926 1.00 75.13 C ATOM 588 O ILE A 40 -0.163 -5.373 7.191 1.00 74.24 O ATOM 589 CB ILE A 40 1.504 -3.044 9.032 1.00 35.24 C ATOM 590 CG1 ILE A 40 2.389 -1.777 9.006 1.00 52.13 C ATOM 591 CG2 ILE A 40 2.382 -4.284 9.260 1.00 32.04 C ATOM 592 CD1 ILE A 40 3.155 -1.504 7.707 1.00 12.30 C ATOM 0 H ILE A 40 -0.074 -1.307 8.488 1.00 55.52 H new ATOM 0 HA ILE A 40 1.153 -3.295 6.908 1.00 55.43 H new ATOM 0 HB ILE A 40 0.819 -2.955 9.875 1.00 35.24 H new ATOM 0 HG12 ILE A 40 1.756 -0.915 9.217 1.00 52.13 H new ATOM 0 HG13 ILE A 40 3.111 -1.849 9.819 1.00 52.13 H new ATOM 0 HG21 ILE A 40 3.019 -4.124 10.130 1.00 32.04 H new ATOM 0 HG22 ILE A 40 1.747 -5.153 9.431 1.00 32.04 H new ATOM 0 HG23 ILE A 40 3.004 -4.456 8.381 1.00 32.04 H new ATOM 0 HD11 ILE A 40 3.738 -0.589 7.814 1.00 12.30 H new ATOM 0 HD12 ILE A 40 3.824 -2.338 7.497 1.00 12.30 H new ATOM 0 HD13 ILE A 40 2.448 -1.390 6.885 1.00 12.30 H new ATOM 604 N GLU A 41 -1.302 -4.365 8.854 1.00 41.44 N ATOM 605 CA GLU A 41 -2.153 -5.501 9.147 1.00 21.25 C ATOM 606 C GLU A 41 -3.079 -5.770 7.958 1.00 22.41 C ATOM 607 O GLU A 41 -3.181 -6.922 7.525 1.00 64.33 O ATOM 608 CB GLU A 41 -2.893 -5.232 10.466 1.00 74.24 C ATOM 609 CG GLU A 41 -3.557 -6.496 11.023 1.00 41.11 C ATOM 610 CD GLU A 41 -4.087 -6.233 12.434 1.00 60.44 C ATOM 611 OE1 GLU A 41 -5.131 -5.557 12.562 1.00 32.35 O ATOM 612 OE2 GLU A 41 -3.434 -6.650 13.423 1.00 20.13 O ATOM 0 H GLU A 41 -1.502 -3.542 9.422 1.00 41.44 H new ATOM 0 HA GLU A 41 -1.572 -6.412 9.287 1.00 21.25 H new ATOM 0 HB2 GLU A 41 -2.191 -4.838 11.201 1.00 74.24 H new ATOM 0 HB3 GLU A 41 -3.651 -4.465 10.306 1.00 74.24 H new ATOM 0 HG2 GLU A 41 -4.374 -6.805 10.371 1.00 41.11 H new ATOM 0 HG3 GLU A 41 -2.838 -7.315 11.043 1.00 41.11 H new ATOM 619 N ALA A 42 -3.674 -4.714 7.379 1.00 62.43 N ATOM 620 CA ALA A 42 -4.541 -4.838 6.211 1.00 34.15 C ATOM 621 C ALA A 42 -3.781 -5.358 4.996 1.00 64.20 C ATOM 622 O ALA A 42 -4.344 -6.102 4.199 1.00 51.14 O ATOM 623 CB ALA A 42 -5.138 -3.478 5.858 1.00 62.31 C ATOM 0 H ALA A 42 -3.564 -3.756 7.711 1.00 62.43 H new ATOM 0 HA ALA A 42 -5.327 -5.549 6.467 1.00 34.15 H new ATOM 0 HB1 ALA A 42 -5.783 -3.579 4.986 1.00 62.31 H new ATOM 0 HB2 ALA A 42 -5.722 -3.107 6.700 1.00 62.31 H new ATOM 0 HB3 ALA A 42 -4.335 -2.775 5.636 1.00 62.31 H new ATOM 629 N LEU A 43 -2.513 -4.971 4.824 1.00 2.44 N ATOM 630 CA LEU A 43 -1.698 -5.433 3.709 1.00 53.51 C ATOM 631 C LEU A 43 -1.624 -6.953 3.672 1.00 40.43 C ATOM 632 O LEU A 43 -1.788 -7.535 2.596 1.00 1.12 O ATOM 633 CB LEU A 43 -0.285 -4.833 3.769 1.00 60.14 C ATOM 634 CG LEU A 43 -0.133 -3.550 2.947 1.00 35.44 C ATOM 635 CD1 LEU A 43 1.249 -2.953 3.217 1.00 71.45 C ATOM 636 CD2 LEU A 43 -0.317 -3.751 1.430 1.00 20.43 C ATOM 0 H LEU A 43 -2.029 -4.331 5.454 1.00 2.44 H new ATOM 0 HA LEU A 43 -2.178 -5.091 2.792 1.00 53.51 H new ATOM 0 HB2 LEU A 43 -0.032 -4.622 4.808 1.00 60.14 H new ATOM 0 HB3 LEU A 43 0.431 -5.572 3.410 1.00 60.14 H new ATOM 0 HG LEU A 43 -0.930 -2.877 3.262 1.00 35.44 H new ATOM 0 HD11 LEU A 43 1.370 -2.038 2.637 1.00 71.45 H new ATOM 0 HD12 LEU A 43 1.346 -2.725 4.279 1.00 71.45 H new ATOM 0 HD13 LEU A 43 2.018 -3.670 2.928 1.00 71.45 H new ATOM 0 HD21 LEU A 43 -0.194 -2.796 0.919 1.00 20.43 H new ATOM 0 HD22 LEU A 43 0.428 -4.457 1.064 1.00 20.43 H new ATOM 0 HD23 LEU A 43 -1.315 -4.142 1.233 1.00 20.43 H new ATOM 648 N LYS A 44 -1.384 -7.610 4.813 1.00 73.12 N ATOM 649 CA LYS A 44 -1.352 -9.071 4.822 1.00 15.14 C ATOM 650 C LYS A 44 -2.730 -9.671 4.518 1.00 43.22 C ATOM 651 O LYS A 44 -2.778 -10.819 4.081 1.00 21.01 O ATOM 652 CB LYS A 44 -0.779 -9.640 6.135 1.00 61.13 C ATOM 653 CG LYS A 44 0.705 -10.046 5.997 1.00 15.43 C ATOM 654 CD LYS A 44 1.698 -9.050 6.612 1.00 64.04 C ATOM 655 CE LYS A 44 2.157 -9.546 7.990 1.00 22.14 C ATOM 656 NZ LYS A 44 2.976 -8.556 8.717 1.00 31.04 N ATOM 0 H LYS A 44 -1.214 -7.166 5.716 1.00 73.12 H new ATOM 0 HA LYS A 44 -0.674 -9.367 4.022 1.00 15.14 H new ATOM 0 HB2 LYS A 44 -0.878 -8.896 6.925 1.00 61.13 H new ATOM 0 HB3 LYS A 44 -1.364 -10.508 6.439 1.00 61.13 H new ATOM 0 HG2 LYS A 44 0.848 -11.019 6.467 1.00 15.43 H new ATOM 0 HG3 LYS A 44 0.939 -10.166 4.939 1.00 15.43 H new ATOM 0 HD2 LYS A 44 2.559 -8.930 5.955 1.00 64.04 H new ATOM 0 HD3 LYS A 44 1.230 -8.070 6.707 1.00 64.04 H new ATOM 0 HE2 LYS A 44 1.282 -9.796 8.590 1.00 22.14 H new ATOM 0 HE3 LYS A 44 2.732 -10.464 7.867 1.00 22.14 H new ATOM 0 HZ1 LYS A 44 3.502 -9.032 9.477 1.00 31.04 H new ATOM 0 HZ2 LYS A 44 3.646 -8.110 8.059 1.00 31.04 H new ATOM 0 HZ3 LYS A 44 2.357 -7.828 9.128 1.00 31.04 H new ATOM 670 N GLU A 45 -3.834 -8.945 4.687 1.00 24.24 N ATOM 671 CA GLU A 45 -5.178 -9.418 4.371 1.00 41.24 C ATOM 672 C GLU A 45 -5.531 -9.195 2.889 1.00 55.22 C ATOM 673 O GLU A 45 -6.651 -8.763 2.585 1.00 71.41 O ATOM 674 CB GLU A 45 -6.209 -8.717 5.264 1.00 2.41 C ATOM 675 CG GLU A 45 -6.132 -9.024 6.763 1.00 14.24 C ATOM 676 CD GLU A 45 -7.504 -9.506 7.233 1.00 32.15 C ATOM 677 OE1 GLU A 45 -8.458 -8.696 7.293 1.00 43.23 O ATOM 678 OE2 GLU A 45 -7.717 -10.741 7.302 1.00 41.24 O ATOM 0 H GLU A 45 -3.817 -7.994 5.054 1.00 24.24 H new ATOM 0 HA GLU A 45 -5.200 -10.491 4.561 1.00 41.24 H new ATOM 0 HB2 GLU A 45 -6.102 -7.641 5.130 1.00 2.41 H new ATOM 0 HB3 GLU A 45 -7.205 -8.985 4.911 1.00 2.41 H new ATOM 0 HG2 GLU A 45 -5.377 -9.787 6.955 1.00 14.24 H new ATOM 0 HG3 GLU A 45 -5.834 -8.134 7.317 1.00 14.24 H new ATOM 685 N PHE A 46 -4.627 -9.482 1.949 1.00 52.13 N ATOM 686 CA PHE A 46 -4.957 -9.499 0.526 1.00 41.50 C ATOM 687 C PHE A 46 -4.260 -10.675 -0.160 1.00 33.35 C ATOM 688 O PHE A 46 -3.232 -11.153 0.327 1.00 24.33 O ATOM 689 CB PHE A 46 -4.555 -8.176 -0.141 1.00 73.10 C ATOM 690 CG PHE A 46 -5.434 -6.992 0.212 1.00 0.42 C ATOM 691 CD1 PHE A 46 -6.728 -6.885 -0.332 1.00 62.04 C ATOM 692 CD2 PHE A 46 -4.979 -6.011 1.110 1.00 12.23 C ATOM 693 CE1 PHE A 46 -7.562 -5.811 0.024 1.00 73.20 C ATOM 694 CE2 PHE A 46 -5.811 -4.935 1.465 1.00 72.41 C ATOM 695 CZ PHE A 46 -7.104 -4.832 0.921 1.00 31.24 C ATOM 0 H PHE A 46 -3.653 -9.707 2.153 1.00 52.13 H new ATOM 0 HA PHE A 46 -6.035 -9.618 0.422 1.00 41.50 H new ATOM 0 HB2 PHE A 46 -3.527 -7.943 0.137 1.00 73.10 H new ATOM 0 HB3 PHE A 46 -4.570 -8.312 -1.222 1.00 73.10 H new ATOM 0 HD1 PHE A 46 -7.082 -7.632 -1.027 1.00 62.04 H new ATOM 0 HD2 PHE A 46 -3.986 -6.084 1.529 1.00 12.23 H new ATOM 0 HE1 PHE A 46 -8.556 -5.739 -0.393 1.00 73.20 H new ATOM 0 HE2 PHE A 46 -5.457 -4.186 2.157 1.00 72.41 H new ATOM 0 HZ PHE A 46 -7.742 -4.004 1.192 1.00 31.24 H new ATOM 705 N ASN A 47 -4.797 -11.135 -1.294 1.00 71.33 N ATOM 706 CA ASN A 47 -4.094 -12.025 -2.219 1.00 64.20 C ATOM 707 C ASN A 47 -3.235 -11.209 -3.172 1.00 31.42 C ATOM 708 O ASN A 47 -3.289 -9.984 -3.184 1.00 24.21 O ATOM 709 CB ASN A 47 -5.057 -12.864 -3.075 1.00 3.21 C ATOM 710 CG ASN A 47 -5.784 -12.053 -4.142 1.00 52.42 C ATOM 711 OD1 ASN A 47 -6.315 -10.989 -3.855 1.00 14.22 O ATOM 712 ND2 ASN A 47 -5.816 -12.498 -5.388 1.00 71.44 N ATOM 0 H ASN A 47 -5.741 -10.897 -1.597 1.00 71.33 H new ATOM 0 HA ASN A 47 -3.490 -12.693 -1.604 1.00 64.20 H new ATOM 0 HB2 ASN A 47 -4.498 -13.666 -3.557 1.00 3.21 H new ATOM 0 HB3 ASN A 47 -5.793 -13.336 -2.424 1.00 3.21 H new ATOM 0 HD21 ASN A 47 -6.284 -11.953 -6.112 1.00 71.44 H new ATOM 0 HD22 ASN A 47 -5.372 -13.386 -5.624 1.00 71.44 H new ATOM 719 N GLU A 48 -2.517 -11.919 -4.037 1.00 20.41 N ATOM 720 CA GLU A 48 -1.609 -11.387 -5.030 1.00 2.21 C ATOM 721 C GLU A 48 -2.252 -10.266 -5.856 1.00 31.41 C ATOM 722 O GLU A 48 -1.719 -9.156 -5.914 1.00 71.41 O ATOM 723 CB GLU A 48 -1.135 -12.560 -5.905 1.00 55.04 C ATOM 724 CG GLU A 48 0.239 -12.255 -6.483 1.00 63.40 C ATOM 725 CD GLU A 48 0.755 -13.361 -7.404 1.00 24.13 C ATOM 726 OE1 GLU A 48 1.463 -14.284 -6.929 1.00 11.02 O ATOM 727 OE2 GLU A 48 0.531 -13.299 -8.632 1.00 61.42 O ATOM 0 H GLU A 48 -2.561 -12.938 -4.059 1.00 20.41 H new ATOM 0 HA GLU A 48 -0.752 -10.924 -4.541 1.00 2.21 H new ATOM 0 HB2 GLU A 48 -1.095 -13.474 -5.312 1.00 55.04 H new ATOM 0 HB3 GLU A 48 -1.847 -12.734 -6.711 1.00 55.04 H new ATOM 0 HG2 GLU A 48 0.194 -11.318 -7.038 1.00 63.40 H new ATOM 0 HG3 GLU A 48 0.947 -12.109 -5.667 1.00 63.40 H new ATOM 734 N ASP A 49 -3.388 -10.540 -6.500 1.00 43.10 N ATOM 735 CA ASP A 49 -3.972 -9.580 -7.430 1.00 53.10 C ATOM 736 C ASP A 49 -4.772 -8.503 -6.699 1.00 41.10 C ATOM 737 O ASP A 49 -4.759 -7.344 -7.109 1.00 61.22 O ATOM 738 CB ASP A 49 -4.829 -10.291 -8.479 1.00 11.04 C ATOM 739 CG ASP A 49 -5.033 -9.388 -9.694 1.00 32.11 C ATOM 740 OD1 ASP A 49 -4.035 -9.155 -10.419 1.00 71.42 O ATOM 741 OD2 ASP A 49 -6.178 -8.960 -9.957 1.00 20.41 O ATOM 0 H ASP A 49 -3.914 -11.408 -6.395 1.00 43.10 H new ATOM 0 HA ASP A 49 -3.153 -9.079 -7.946 1.00 53.10 H new ATOM 0 HB2 ASP A 49 -4.347 -11.220 -8.784 1.00 11.04 H new ATOM 0 HB3 ASP A 49 -5.794 -10.559 -8.050 1.00 11.04 H new ATOM 746 N GLY A 50 -5.429 -8.851 -5.585 1.00 54.40 N ATOM 747 CA GLY A 50 -6.215 -7.899 -4.811 1.00 0.22 C ATOM 748 C GLY A 50 -5.327 -6.862 -4.130 1.00 71.21 C ATOM 749 O GLY A 50 -5.658 -5.675 -4.119 1.00 1.33 O ATOM 0 H GLY A 50 -5.427 -9.796 -5.202 1.00 54.40 H new ATOM 0 HA2 GLY A 50 -6.927 -7.396 -5.466 1.00 0.22 H new ATOM 0 HA3 GLY A 50 -6.796 -8.432 -4.058 1.00 0.22 H new ATOM 753 N ALA A 51 -4.175 -7.300 -3.616 1.00 22.42 N ATOM 754 CA ALA A 51 -3.097 -6.448 -3.144 1.00 14.11 C ATOM 755 C ALA A 51 -2.685 -5.483 -4.253 1.00 73.54 C ATOM 756 O ALA A 51 -2.581 -4.287 -3.991 1.00 64.13 O ATOM 757 CB ALA A 51 -1.907 -7.315 -2.749 1.00 43.34 C ATOM 0 H ALA A 51 -3.967 -8.294 -3.516 1.00 22.42 H new ATOM 0 HA ALA A 51 -3.434 -5.877 -2.279 1.00 14.11 H new ATOM 0 HB1 ALA A 51 -1.096 -6.679 -2.394 1.00 43.34 H new ATOM 0 HB2 ALA A 51 -2.204 -8.001 -1.956 1.00 43.34 H new ATOM 0 HB3 ALA A 51 -1.569 -7.885 -3.614 1.00 43.34 H new ATOM 763 N LEU A 52 -2.432 -5.976 -5.471 1.00 44.31 N ATOM 764 CA LEU A 52 -1.994 -5.121 -6.573 1.00 32.42 C ATOM 765 C LEU A 52 -3.058 -4.098 -6.942 1.00 72.40 C ATOM 766 O LEU A 52 -2.691 -2.971 -7.252 1.00 42.22 O ATOM 767 CB LEU A 52 -1.583 -5.940 -7.805 1.00 71.51 C ATOM 768 CG LEU A 52 -0.203 -6.586 -7.619 1.00 21.25 C ATOM 769 CD1 LEU A 52 0.012 -7.706 -8.637 1.00 75.11 C ATOM 770 CD2 LEU A 52 0.953 -5.588 -7.751 1.00 55.42 C ATOM 0 H LEU A 52 -2.524 -6.962 -5.715 1.00 44.31 H new ATOM 0 HA LEU A 52 -1.113 -4.584 -6.222 1.00 32.42 H new ATOM 0 HB2 LEU A 52 -2.326 -6.715 -7.992 1.00 71.51 H new ATOM 0 HB3 LEU A 52 -1.568 -5.295 -8.683 1.00 71.51 H new ATOM 0 HG LEU A 52 -0.198 -6.981 -6.603 1.00 21.25 H new ATOM 0 HD11 LEU A 52 0.996 -8.150 -8.487 1.00 75.11 H new ATOM 0 HD12 LEU A 52 -0.754 -8.470 -8.505 1.00 75.11 H new ATOM 0 HD13 LEU A 52 -0.052 -7.298 -9.646 1.00 75.11 H new ATOM 0 HD21 LEU A 52 1.900 -6.108 -7.609 1.00 55.42 H new ATOM 0 HD22 LEU A 52 0.932 -5.136 -8.743 1.00 55.42 H new ATOM 0 HD23 LEU A 52 0.850 -4.809 -6.995 1.00 55.42 H new ATOM 782 N ALA A 53 -4.348 -4.433 -6.864 1.00 1.21 N ATOM 783 CA ALA A 53 -5.420 -3.474 -7.107 1.00 35.51 C ATOM 784 C ALA A 53 -5.319 -2.283 -6.139 1.00 22.53 C ATOM 785 O ALA A 53 -5.322 -1.134 -6.579 1.00 35.13 O ATOM 786 CB ALA A 53 -6.776 -4.183 -7.037 1.00 2.03 C ATOM 0 H ALA A 53 -4.674 -5.371 -6.632 1.00 1.21 H new ATOM 0 HA ALA A 53 -5.319 -3.061 -8.111 1.00 35.51 H new ATOM 0 HB1 ALA A 53 -7.573 -3.462 -7.219 1.00 2.03 H new ATOM 0 HB2 ALA A 53 -6.816 -4.967 -7.793 1.00 2.03 H new ATOM 0 HB3 ALA A 53 -6.905 -4.625 -6.049 1.00 2.03 H new ATOM 792 N VAL A 54 -5.113 -2.537 -4.840 1.00 31.44 N ATOM 793 CA VAL A 54 -4.857 -1.482 -3.854 1.00 22.32 C ATOM 794 C VAL A 54 -3.668 -0.613 -4.294 1.00 24.33 C ATOM 795 O VAL A 54 -3.696 0.609 -4.135 1.00 64.44 O ATOM 796 CB VAL A 54 -4.613 -2.104 -2.457 1.00 51.10 C ATOM 797 CG1 VAL A 54 -4.211 -1.071 -1.396 1.00 3.11 C ATOM 798 CG2 VAL A 54 -5.827 -2.863 -1.906 1.00 11.43 C ATOM 0 H VAL A 54 -5.119 -3.477 -4.445 1.00 31.44 H new ATOM 0 HA VAL A 54 -5.734 -0.838 -3.789 1.00 22.32 H new ATOM 0 HB VAL A 54 -3.791 -2.798 -2.635 1.00 51.10 H new ATOM 0 HG11 VAL A 54 -4.055 -1.572 -0.441 1.00 3.11 H new ATOM 0 HG12 VAL A 54 -3.289 -0.576 -1.701 1.00 3.11 H new ATOM 0 HG13 VAL A 54 -5.003 -0.330 -1.292 1.00 3.11 H new ATOM 0 HG21 VAL A 54 -5.586 -3.272 -0.925 1.00 11.43 H new ATOM 0 HG22 VAL A 54 -6.673 -2.181 -1.817 1.00 11.43 H new ATOM 0 HG23 VAL A 54 -6.087 -3.676 -2.584 1.00 11.43 H new ATOM 808 N LEU A 55 -2.600 -1.223 -4.818 1.00 74.11 N ATOM 809 CA LEU A 55 -1.365 -0.505 -5.115 1.00 1.44 C ATOM 810 C LEU A 55 -1.505 0.279 -6.407 1.00 33.33 C ATOM 811 O LEU A 55 -0.929 1.362 -6.502 1.00 35.54 O ATOM 812 CB LEU A 55 -0.139 -1.426 -5.197 1.00 32.40 C ATOM 813 CG LEU A 55 0.170 -2.247 -3.933 1.00 75.31 C ATOM 814 CD1 LEU A 55 1.570 -2.847 -4.074 1.00 43.32 C ATOM 815 CD2 LEU A 55 0.040 -1.460 -2.618 1.00 62.53 C ATOM 0 H LEU A 55 -2.570 -2.217 -5.045 1.00 74.11 H new ATOM 0 HA LEU A 55 -1.198 0.178 -4.282 1.00 1.44 H new ATOM 0 HB2 LEU A 55 -0.282 -2.116 -6.029 1.00 32.40 H new ATOM 0 HB3 LEU A 55 0.734 -0.817 -5.434 1.00 32.40 H new ATOM 0 HG LEU A 55 -0.585 -3.030 -3.863 1.00 75.31 H new ATOM 0 HD11 LEU A 55 1.806 -3.433 -3.186 1.00 43.32 H new ATOM 0 HD12 LEU A 55 1.603 -3.491 -4.953 1.00 43.32 H new ATOM 0 HD13 LEU A 55 2.300 -2.045 -4.184 1.00 43.32 H new ATOM 0 HD21 LEU A 55 0.275 -2.114 -1.778 1.00 62.53 H new ATOM 0 HD22 LEU A 55 0.733 -0.618 -2.628 1.00 62.53 H new ATOM 0 HD23 LEU A 55 -0.980 -1.089 -2.515 1.00 62.53 H new ATOM 827 N GLN A 56 -2.265 -0.219 -7.377 1.00 32.33 N ATOM 828 CA GLN A 56 -2.682 0.554 -8.526 1.00 35.42 C ATOM 829 C GLN A 56 -3.374 1.805 -8.001 1.00 63.34 C ATOM 830 O GLN A 56 -2.870 2.903 -8.204 1.00 41.05 O ATOM 831 CB GLN A 56 -3.567 -0.320 -9.430 1.00 73.14 C ATOM 832 CG GLN A 56 -4.226 0.442 -10.584 1.00 72.25 C ATOM 833 CD GLN A 56 -4.957 -0.534 -11.495 1.00 75.34 C ATOM 834 OE1 GLN A 56 -4.330 -1.265 -12.260 1.00 34.13 O ATOM 835 NE2 GLN A 56 -6.281 -0.573 -11.478 1.00 71.45 N ATOM 0 H GLN A 56 -2.608 -1.180 -7.381 1.00 32.33 H new ATOM 0 HA GLN A 56 -1.845 0.872 -9.148 1.00 35.42 H new ATOM 0 HB2 GLN A 56 -2.962 -1.128 -9.841 1.00 73.14 H new ATOM 0 HB3 GLN A 56 -4.345 -0.782 -8.822 1.00 73.14 H new ATOM 0 HG2 GLN A 56 -4.925 1.181 -10.192 1.00 72.25 H new ATOM 0 HG3 GLN A 56 -3.471 0.987 -11.151 1.00 72.25 H new ATOM 0 HE21 GLN A 56 -6.801 0.033 -10.844 1.00 71.45 H new ATOM 0 HE22 GLN A 56 -6.780 -1.209 -12.099 1.00 71.45 H new ATOM 844 N GLN A 57 -4.483 1.641 -7.284 1.00 14.03 N ATOM 845 CA GLN A 57 -5.390 2.756 -7.016 1.00 64.14 C ATOM 846 C GLN A 57 -4.838 3.762 -5.993 1.00 74.42 C ATOM 847 O GLN A 57 -5.430 4.820 -5.786 1.00 31.11 O ATOM 848 CB GLN A 57 -6.740 2.176 -6.585 1.00 52.04 C ATOM 849 CG GLN A 57 -7.923 3.053 -7.014 1.00 72.21 C ATOM 850 CD GLN A 57 -9.269 2.389 -6.727 1.00 51.01 C ATOM 851 OE1 GLN A 57 -10.038 2.082 -7.636 1.00 14.43 O ATOM 852 NE2 GLN A 57 -9.610 2.132 -5.473 1.00 15.20 N ATOM 0 H GLN A 57 -4.775 0.751 -6.879 1.00 14.03 H new ATOM 0 HA GLN A 57 -5.507 3.339 -7.930 1.00 64.14 H new ATOM 0 HB2 GLN A 57 -6.857 1.180 -7.013 1.00 52.04 H new ATOM 0 HB3 GLN A 57 -6.752 2.061 -5.501 1.00 52.04 H new ATOM 0 HG2 GLN A 57 -7.873 4.008 -6.492 1.00 72.21 H new ATOM 0 HG3 GLN A 57 -7.846 3.268 -8.080 1.00 72.21 H new ATOM 0 HE21 GLN A 57 -8.979 2.383 -4.711 1.00 15.20 H new ATOM 0 HE22 GLN A 57 -10.503 1.684 -5.269 1.00 15.20 H new ATOM 861 N PHE A 58 -3.735 3.427 -5.322 1.00 11.31 N ATOM 862 CA PHE A 58 -3.017 4.334 -4.434 1.00 21.53 C ATOM 863 C PHE A 58 -2.045 5.216 -5.235 1.00 60.32 C ATOM 864 O PHE A 58 -2.207 6.436 -5.239 1.00 12.24 O ATOM 865 CB PHE A 58 -2.345 3.528 -3.310 1.00 34.23 C ATOM 866 CG PHE A 58 -1.649 4.353 -2.240 1.00 51.04 C ATOM 867 CD1 PHE A 58 -2.362 5.345 -1.541 1.00 41.14 C ATOM 868 CD2 PHE A 58 -0.306 4.101 -1.898 1.00 22.41 C ATOM 869 CE1 PHE A 58 -1.729 6.111 -0.549 1.00 44.41 C ATOM 870 CE2 PHE A 58 0.314 4.836 -0.871 1.00 3.13 C ATOM 871 CZ PHE A 58 -0.394 5.847 -0.201 1.00 43.25 C ATOM 0 H PHE A 58 -3.311 2.501 -5.383 1.00 11.31 H new ATOM 0 HA PHE A 58 -3.711 5.023 -3.954 1.00 21.53 H new ATOM 0 HB2 PHE A 58 -3.101 2.906 -2.830 1.00 34.23 H new ATOM 0 HB3 PHE A 58 -1.614 2.854 -3.757 1.00 34.23 H new ATOM 0 HD1 PHE A 58 -3.403 5.518 -1.769 1.00 41.14 H new ATOM 0 HD2 PHE A 58 0.250 3.341 -2.426 1.00 22.41 H new ATOM 0 HE1 PHE A 58 -2.269 6.904 -0.053 1.00 44.41 H new ATOM 0 HE2 PHE A 58 1.337 4.622 -0.597 1.00 3.13 H new ATOM 0 HZ PHE A 58 0.086 6.419 0.579 1.00 43.25 H new ATOM 881 N LYS A 59 -1.053 4.642 -5.932 1.00 71.45 N ATOM 882 CA LYS A 59 -0.084 5.403 -6.737 1.00 4.34 C ATOM 883 C LYS A 59 -0.790 6.125 -7.888 1.00 20.30 C ATOM 884 O LYS A 59 -0.367 7.223 -8.248 1.00 22.10 O ATOM 885 CB LYS A 59 1.096 4.509 -7.191 1.00 60.32 C ATOM 886 CG LYS A 59 2.055 5.193 -8.190 1.00 74.23 C ATOM 887 CD LYS A 59 3.484 4.617 -8.260 1.00 33.53 C ATOM 888 CE LYS A 59 4.315 4.924 -6.998 1.00 14.33 C ATOM 889 NZ LYS A 59 5.764 5.062 -7.258 1.00 15.10 N ATOM 0 H LYS A 59 -0.899 3.634 -5.954 1.00 71.45 H new ATOM 0 HA LYS A 59 0.362 6.180 -6.116 1.00 4.34 H new ATOM 0 HB2 LYS A 59 1.663 4.200 -6.313 1.00 60.32 H new ATOM 0 HB3 LYS A 59 0.697 3.603 -7.648 1.00 60.32 H new ATOM 0 HG2 LYS A 59 1.613 5.136 -9.185 1.00 74.23 H new ATOM 0 HG3 LYS A 59 2.123 6.250 -7.932 1.00 74.23 H new ATOM 0 HD2 LYS A 59 3.429 3.537 -8.399 1.00 33.53 H new ATOM 0 HD3 LYS A 59 3.993 5.026 -9.133 1.00 33.53 H new ATOM 0 HE2 LYS A 59 3.947 5.845 -6.547 1.00 14.33 H new ATOM 0 HE3 LYS A 59 4.160 4.128 -6.269 1.00 14.33 H new ATOM 0 HZ1 LYS A 59 6.274 5.132 -6.354 1.00 15.10 H new ATOM 0 HZ2 LYS A 59 6.103 4.231 -7.783 1.00 15.10 H new ATOM 0 HZ3 LYS A 59 5.936 5.920 -7.820 1.00 15.10 H new ATOM 903 N ASP A 60 -1.889 5.577 -8.405 1.00 75.31 N ATOM 904 CA ASP A 60 -2.783 6.250 -9.343 1.00 44.34 C ATOM 905 C ASP A 60 -3.753 7.164 -8.579 1.00 73.45 C ATOM 906 O ASP A 60 -4.979 6.995 -8.603 1.00 54.21 O ATOM 907 CB ASP A 60 -3.498 5.216 -10.224 1.00 74.33 C ATOM 908 CG ASP A 60 -4.319 5.866 -11.337 1.00 63.44 C ATOM 909 OD1 ASP A 60 -3.949 6.962 -11.809 1.00 64.54 O ATOM 910 OD2 ASP A 60 -5.299 5.218 -11.782 1.00 35.42 O ATOM 0 H ASP A 60 -2.189 4.629 -8.177 1.00 75.31 H new ATOM 0 HA ASP A 60 -2.208 6.889 -10.013 1.00 44.34 H new ATOM 0 HB2 ASP A 60 -2.760 4.546 -10.665 1.00 74.33 H new ATOM 0 HB3 ASP A 60 -4.153 4.605 -9.603 1.00 74.33 H new ATOM 915 N SER A 61 -3.194 8.100 -7.810 1.00 61.31 N ATOM 916 CA SER A 61 -3.830 9.297 -7.285 1.00 73.43 C ATOM 917 C SER A 61 -2.733 10.348 -7.053 1.00 11.34 C ATOM 918 O SER A 61 -1.538 10.073 -7.224 1.00 51.25 O ATOM 919 CB SER A 61 -4.583 8.985 -5.989 1.00 0.34 C ATOM 920 OG SER A 61 -5.672 8.111 -6.215 1.00 3.40 O ATOM 0 H SER A 61 -2.218 8.032 -7.521 1.00 61.31 H new ATOM 0 HA SER A 61 -4.565 9.679 -7.994 1.00 73.43 H new ATOM 0 HB2 SER A 61 -3.899 8.535 -5.270 1.00 0.34 H new ATOM 0 HB3 SER A 61 -4.946 9.913 -5.547 1.00 0.34 H new ATOM 0 HG SER A 61 -5.600 7.723 -7.112 1.00 3.40 H new ATOM 926 N ASP A 62 -3.123 11.544 -6.622 1.00 72.25 N ATOM 927 CA ASP A 62 -2.301 12.733 -6.494 1.00 32.54 C ATOM 928 C ASP A 62 -2.250 13.068 -5.015 1.00 44.13 C ATOM 929 O ASP A 62 -3.242 13.510 -4.434 1.00 63.42 O ATOM 930 CB ASP A 62 -2.899 13.894 -7.302 1.00 40.31 C ATOM 931 CG ASP A 62 -2.221 15.211 -6.925 1.00 64.45 C ATOM 932 OD1 ASP A 62 -0.971 15.223 -6.870 1.00 15.01 O ATOM 933 OD2 ASP A 62 -2.941 16.205 -6.661 1.00 74.54 O ATOM 0 H ASP A 62 -4.087 11.715 -6.335 1.00 72.25 H new ATOM 0 HA ASP A 62 -1.298 12.562 -6.886 1.00 32.54 H new ATOM 0 HB2 ASP A 62 -2.774 13.706 -8.368 1.00 40.31 H new ATOM 0 HB3 ASP A 62 -3.970 13.962 -7.114 1.00 40.31 H new ATOM 938 N LEU A 63 -1.111 12.795 -4.392 1.00 24.52 N ATOM 939 CA LEU A 63 -0.895 12.989 -2.961 1.00 21.20 C ATOM 940 C LEU A 63 -0.253 14.345 -2.657 1.00 71.35 C ATOM 941 O LEU A 63 0.074 14.628 -1.499 1.00 4.04 O ATOM 942 CB LEU A 63 -0.104 11.801 -2.390 1.00 41.03 C ATOM 943 CG LEU A 63 -0.914 10.488 -2.444 1.00 43.42 C ATOM 944 CD1 LEU A 63 -0.049 9.322 -1.976 1.00 31.52 C ATOM 945 CD2 LEU A 63 -2.190 10.561 -1.597 1.00 14.41 C ATOM 0 H LEU A 63 -0.293 12.425 -4.876 1.00 24.52 H new ATOM 0 HA LEU A 63 -1.861 13.013 -2.457 1.00 21.20 H new ATOM 0 HB2 LEU A 63 0.822 11.679 -2.951 1.00 41.03 H new ATOM 0 HB3 LEU A 63 0.174 12.013 -1.358 1.00 41.03 H new ATOM 0 HG LEU A 63 -1.215 10.333 -3.480 1.00 43.42 H new ATOM 0 HD11 LEU A 63 -0.628 8.400 -2.017 1.00 31.52 H new ATOM 0 HD12 LEU A 63 0.823 9.232 -2.624 1.00 31.52 H new ATOM 0 HD13 LEU A 63 0.278 9.500 -0.951 1.00 31.52 H new ATOM 0 HD21 LEU A 63 -2.727 9.615 -1.666 1.00 14.41 H new ATOM 0 HD22 LEU A 63 -1.926 10.754 -0.557 1.00 14.41 H new ATOM 0 HD23 LEU A 63 -2.825 11.366 -1.965 1.00 14.41 H new ATOM 957 N SER A 64 -0.115 15.210 -3.664 1.00 32.23 N ATOM 958 CA SER A 64 0.196 16.615 -3.478 1.00 52.05 C ATOM 959 C SER A 64 -0.822 17.224 -2.515 1.00 14.42 C ATOM 960 O SER A 64 -2.031 17.106 -2.727 1.00 4.22 O ATOM 961 CB SER A 64 0.155 17.339 -4.824 1.00 2.41 C ATOM 962 OG SER A 64 0.920 16.641 -5.790 1.00 40.15 O ATOM 0 H SER A 64 -0.219 14.943 -4.643 1.00 32.23 H new ATOM 0 HA SER A 64 1.197 16.721 -3.061 1.00 52.05 H new ATOM 0 HB2 SER A 64 -0.877 17.427 -5.164 1.00 2.41 H new ATOM 0 HB3 SER A 64 0.541 18.352 -4.710 1.00 2.41 H new ATOM 0 HG SER A 64 0.321 16.244 -6.457 1.00 40.15 H new ATOM 968 N HIS A 65 -0.333 17.866 -1.457 1.00 2.24 N ATOM 969 CA HIS A 65 -1.099 18.617 -0.469 1.00 34.22 C ATOM 970 C HIS A 65 -2.166 17.796 0.286 1.00 50.24 C ATOM 971 O HIS A 65 -2.976 18.391 1.005 1.00 4.22 O ATOM 972 CB HIS A 65 -1.699 19.872 -1.126 1.00 31.14 C ATOM 973 CG HIS A 65 -0.773 20.650 -2.028 1.00 52.33 C ATOM 974 ND1 HIS A 65 -0.791 20.631 -3.405 1.00 31.12 N ATOM 975 CD2 HIS A 65 0.181 21.549 -1.637 1.00 72.51 C ATOM 976 CE1 HIS A 65 0.153 21.480 -3.837 1.00 53.12 C ATOM 977 NE2 HIS A 65 0.763 22.075 -2.800 1.00 2.14 N ATOM 0 H HIS A 65 0.667 17.876 -1.256 1.00 2.24 H new ATOM 0 HA HIS A 65 -0.395 18.910 0.310 1.00 34.22 H new ATOM 0 HB2 HIS A 65 -2.573 19.573 -1.705 1.00 31.14 H new ATOM 0 HB3 HIS A 65 -2.052 20.538 -0.338 1.00 31.14 H new ATOM 0 HD2 HIS A 65 0.439 21.806 -0.620 1.00 72.51 H new ATOM 0 HE1 HIS A 65 0.390 21.660 -4.875 1.00 53.12 H new ATOM 0 HE2 HIS A 65 1.505 22.773 -2.848 1.00 2.14 H new ATOM 985 N VAL A 66 -2.191 16.463 0.162 1.00 32.30 N ATOM 986 CA VAL A 66 -3.027 15.603 1.001 1.00 62.15 C ATOM 987 C VAL A 66 -2.438 15.628 2.407 1.00 72.04 C ATOM 988 O VAL A 66 -1.231 15.456 2.548 1.00 64.03 O ATOM 989 CB VAL A 66 -3.060 14.165 0.434 1.00 41.31 C ATOM 990 CG1 VAL A 66 -3.661 13.124 1.396 1.00 34.12 C ATOM 991 CG2 VAL A 66 -3.904 14.135 -0.840 1.00 11.03 C ATOM 0 H VAL A 66 -1.632 15.953 -0.522 1.00 32.30 H new ATOM 0 HA VAL A 66 -4.056 15.962 1.020 1.00 62.15 H new ATOM 0 HB VAL A 66 -2.018 13.900 0.255 1.00 41.31 H new ATOM 0 HG11 VAL A 66 -3.648 12.142 0.924 1.00 34.12 H new ATOM 0 HG12 VAL A 66 -3.073 13.094 2.313 1.00 34.12 H new ATOM 0 HG13 VAL A 66 -4.689 13.399 1.633 1.00 34.12 H new ATOM 0 HG21 VAL A 66 -3.926 13.121 -1.238 1.00 11.03 H new ATOM 0 HG22 VAL A 66 -4.920 14.457 -0.611 1.00 11.03 H new ATOM 0 HG23 VAL A 66 -3.469 14.806 -1.581 1.00 11.03 H new ATOM 1001 N GLN A 67 -3.300 15.759 3.418 1.00 22.43 N ATOM 1002 CA GLN A 67 -2.966 15.782 4.838 1.00 10.32 C ATOM 1003 C GLN A 67 -2.146 14.545 5.244 1.00 41.54 C ATOM 1004 O GLN A 67 -0.915 14.568 5.253 1.00 53.42 O ATOM 1005 CB GLN A 67 -4.272 15.873 5.659 1.00 51.55 C ATOM 1006 CG GLN A 67 -5.111 17.130 5.410 1.00 10.34 C ATOM 1007 CD GLN A 67 -6.487 16.979 6.057 1.00 3.34 C ATOM 1008 OE1 GLN A 67 -6.721 17.389 7.190 1.00 51.33 O ATOM 1009 NE2 GLN A 67 -7.436 16.323 5.404 1.00 45.24 N ATOM 0 H GLN A 67 -4.302 15.857 3.256 1.00 22.43 H new ATOM 0 HA GLN A 67 -2.345 16.655 5.042 1.00 10.32 H new ATOM 0 HB2 GLN A 67 -4.883 14.998 5.438 1.00 51.55 H new ATOM 0 HB3 GLN A 67 -4.020 15.827 6.719 1.00 51.55 H new ATOM 0 HG2 GLN A 67 -4.602 18.003 5.818 1.00 10.34 H new ATOM 0 HG3 GLN A 67 -5.221 17.297 4.339 1.00 10.34 H new ATOM 0 HE21 GLN A 67 -7.259 15.975 4.462 1.00 45.24 H new ATOM 0 HE22 GLN A 67 -8.343 16.166 5.844 1.00 45.24 H new ATOM 1018 N ASN A 68 -2.836 13.443 5.550 1.00 30.14 N ATOM 1019 CA ASN A 68 -2.296 12.308 6.295 1.00 71.23 C ATOM 1020 C ASN A 68 -2.392 11.102 5.383 1.00 30.42 C ATOM 1021 O ASN A 68 -3.463 10.517 5.202 1.00 53.21 O ATOM 1022 CB ASN A 68 -2.955 12.059 7.675 1.00 64.41 C ATOM 1023 CG ASN A 68 -4.115 12.971 8.041 1.00 41.25 C ATOM 1024 OD1 ASN A 68 -3.959 13.927 8.790 1.00 5.43 O ATOM 1025 ND2 ASN A 68 -5.301 12.725 7.515 1.00 54.11 N ATOM 0 H ASN A 68 -3.811 13.315 5.278 1.00 30.14 H new ATOM 0 HA ASN A 68 -1.262 12.525 6.562 1.00 71.23 H new ATOM 0 HB2 ASN A 68 -3.308 11.028 7.705 1.00 64.41 H new ATOM 0 HB3 ASN A 68 -2.188 12.156 8.443 1.00 64.41 H new ATOM 0 HD21 ASN A 68 -6.091 13.332 7.732 1.00 54.11 H new ATOM 0 HD22 ASN A 68 -5.427 11.928 6.891 1.00 54.11 H new ATOM 1032 N LYS A 69 -1.269 10.759 4.761 1.00 41.13 N ATOM 1033 CA LYS A 69 -1.185 9.778 3.685 1.00 51.32 C ATOM 1034 C LYS A 69 -1.602 8.390 4.168 1.00 52.43 C ATOM 1035 O LYS A 69 -2.169 7.617 3.399 1.00 74.05 O ATOM 1036 CB LYS A 69 0.245 9.762 3.116 1.00 13.30 C ATOM 1037 CG LYS A 69 0.848 11.147 2.803 1.00 55.43 C ATOM 1038 CD LYS A 69 -0.051 12.061 1.965 1.00 1.23 C ATOM 1039 CE LYS A 69 0.737 13.244 1.385 1.00 52.42 C ATOM 1040 NZ LYS A 69 1.196 14.217 2.405 1.00 25.40 N ATOM 0 H LYS A 69 -0.365 11.168 4.999 1.00 41.13 H new ATOM 0 HA LYS A 69 -1.878 10.063 2.893 1.00 51.32 H new ATOM 0 HB2 LYS A 69 0.895 9.254 3.828 1.00 13.30 H new ATOM 0 HB3 LYS A 69 0.248 9.168 2.202 1.00 13.30 H new ATOM 0 HG2 LYS A 69 1.078 11.649 3.743 1.00 55.43 H new ATOM 0 HG3 LYS A 69 1.792 11.007 2.277 1.00 55.43 H new ATOM 0 HD2 LYS A 69 -0.499 11.488 1.153 1.00 1.23 H new ATOM 0 HD3 LYS A 69 -0.869 12.434 2.582 1.00 1.23 H new ATOM 0 HE2 LYS A 69 1.604 12.861 0.846 1.00 52.42 H new ATOM 0 HE3 LYS A 69 0.112 13.762 0.657 1.00 52.42 H new ATOM 0 HZ1 LYS A 69 1.871 14.880 1.973 1.00 25.40 H new ATOM 0 HZ2 LYS A 69 0.379 14.745 2.773 1.00 25.40 H new ATOM 0 HZ3 LYS A 69 1.660 13.709 3.185 1.00 25.40 H new ATOM 1054 N SER A 70 -1.407 8.105 5.453 1.00 1.30 N ATOM 1055 CA SER A 70 -1.826 6.887 6.142 1.00 0.54 C ATOM 1056 C SER A 70 -3.323 6.690 5.948 1.00 12.30 C ATOM 1057 O SER A 70 -3.774 5.622 5.536 1.00 1.33 O ATOM 1058 CB SER A 70 -1.496 6.951 7.652 1.00 43.13 C ATOM 1059 OG SER A 70 -0.838 8.156 8.025 1.00 52.53 O ATOM 0 H SER A 70 -0.926 8.754 6.076 1.00 1.30 H new ATOM 0 HA SER A 70 -1.280 6.045 5.716 1.00 0.54 H new ATOM 0 HB2 SER A 70 -2.418 6.855 8.225 1.00 43.13 H new ATOM 0 HB3 SER A 70 -0.866 6.102 7.917 1.00 43.13 H new ATOM 0 HG SER A 70 0.100 8.117 7.743 1.00 52.53 H new ATOM 1065 N ALA A 71 -4.103 7.734 6.241 1.00 73.42 N ATOM 1066 CA ALA A 71 -5.546 7.654 6.188 1.00 21.21 C ATOM 1067 C ALA A 71 -6.068 7.635 4.752 1.00 62.05 C ATOM 1068 O ALA A 71 -7.159 7.104 4.524 1.00 43.32 O ATOM 1069 CB ALA A 71 -6.120 8.825 6.986 1.00 13.52 C ATOM 0 H ALA A 71 -3.745 8.648 6.519 1.00 73.42 H new ATOM 0 HA ALA A 71 -5.873 6.713 6.631 1.00 21.21 H new ATOM 0 HB1 ALA A 71 -7.209 8.784 6.959 1.00 13.52 H new ATOM 0 HB2 ALA A 71 -5.780 8.763 8.020 1.00 13.52 H new ATOM 0 HB3 ALA A 71 -5.781 9.764 6.549 1.00 13.52 H new ATOM 1075 N PHE A 72 -5.314 8.169 3.784 1.00 4.34 N ATOM 1076 CA PHE A 72 -5.670 8.023 2.374 1.00 0.41 C ATOM 1077 C PHE A 72 -5.519 6.545 2.025 1.00 64.03 C ATOM 1078 O PHE A 72 -6.478 5.895 1.614 1.00 4.53 O ATOM 1079 CB PHE A 72 -4.811 8.930 1.468 1.00 34.41 C ATOM 1080 CG PHE A 72 -5.335 9.091 0.042 1.00 0.21 C ATOM 1081 CD1 PHE A 72 -5.457 7.984 -0.826 1.00 15.00 C ATOM 1082 CD2 PHE A 72 -5.699 10.367 -0.434 1.00 52.35 C ATOM 1083 CE1 PHE A 72 -5.969 8.144 -2.127 1.00 42.24 C ATOM 1084 CE2 PHE A 72 -6.161 10.535 -1.753 1.00 3.04 C ATOM 1085 CZ PHE A 72 -6.308 9.423 -2.598 1.00 4.10 C ATOM 0 H PHE A 72 -4.461 8.702 3.952 1.00 4.34 H new ATOM 0 HA PHE A 72 -6.698 8.344 2.204 1.00 0.41 H new ATOM 0 HB2 PHE A 72 -4.740 9.916 1.927 1.00 34.41 H new ATOM 0 HB3 PHE A 72 -3.800 8.524 1.425 1.00 34.41 H new ATOM 0 HD1 PHE A 72 -5.154 7.004 -0.488 1.00 15.00 H new ATOM 0 HD2 PHE A 72 -5.623 11.224 0.219 1.00 52.35 H new ATOM 0 HE1 PHE A 72 -6.101 7.282 -2.764 1.00 42.24 H new ATOM 0 HE2 PHE A 72 -6.403 11.523 -2.116 1.00 3.04 H new ATOM 0 HZ PHE A 72 -6.680 9.551 -3.604 1.00 4.10 H new ATOM 1095 N LEU A 73 -4.320 6.001 2.252 1.00 61.02 N ATOM 1096 CA LEU A 73 -3.913 4.648 1.880 1.00 15.54 C ATOM 1097 C LEU A 73 -4.872 3.633 2.473 1.00 64.44 C ATOM 1098 O LEU A 73 -5.418 2.777 1.776 1.00 15.21 O ATOM 1099 CB LEU A 73 -2.485 4.415 2.392 1.00 63.45 C ATOM 1100 CG LEU A 73 -1.933 2.982 2.234 1.00 0.12 C ATOM 1101 CD1 LEU A 73 -2.217 2.160 3.485 1.00 20.41 C ATOM 1102 CD2 LEU A 73 -2.263 2.302 0.900 1.00 11.52 C ATOM 0 H LEU A 73 -3.575 6.517 2.721 1.00 61.02 H new ATOM 0 HA LEU A 73 -3.935 4.532 0.796 1.00 15.54 H new ATOM 0 HB2 LEU A 73 -1.817 5.100 1.869 1.00 63.45 H new ATOM 0 HB3 LEU A 73 -2.451 4.681 3.448 1.00 63.45 H new ATOM 0 HG LEU A 73 -0.848 3.060 2.158 1.00 0.12 H new ATOM 0 HD11 LEU A 73 -1.821 1.153 3.356 1.00 20.41 H new ATOM 0 HD12 LEU A 73 -1.740 2.630 4.345 1.00 20.41 H new ATOM 0 HD13 LEU A 73 -3.293 2.108 3.650 1.00 20.41 H new ATOM 0 HD21 LEU A 73 -1.832 1.301 0.886 1.00 11.52 H new ATOM 0 HD22 LEU A 73 -3.345 2.233 0.784 1.00 11.52 H new ATOM 0 HD23 LEU A 73 -1.847 2.888 0.080 1.00 11.52 H new ATOM 1114 N CYS A 74 -5.080 3.737 3.781 1.00 41.41 N ATOM 1115 CA CYS A 74 -5.925 2.797 4.486 1.00 54.22 C ATOM 1116 C CYS A 74 -7.366 2.865 3.943 1.00 61.04 C ATOM 1117 O CYS A 74 -8.081 1.865 3.971 1.00 15.21 O ATOM 1118 CB CYS A 74 -5.836 3.078 5.994 1.00 13.43 C ATOM 1119 SG CYS A 74 -6.727 1.823 6.958 1.00 32.12 S ATOM 0 H CYS A 74 -4.673 4.464 4.369 1.00 41.41 H new ATOM 0 HA CYS A 74 -5.583 1.775 4.320 1.00 54.22 H new ATOM 0 HB2 CYS A 74 -4.790 3.099 6.300 1.00 13.43 H new ATOM 0 HB3 CYS A 74 -6.250 4.064 6.207 1.00 13.43 H new ATOM 0 HG CYS A 74 -7.652 1.285 6.220 1.00 32.12 H new ATOM 1125 N GLY A 75 -7.799 4.019 3.416 1.00 21.21 N ATOM 1126 CA GLY A 75 -9.086 4.155 2.744 1.00 52.31 C ATOM 1127 C GLY A 75 -9.168 3.258 1.510 1.00 62.13 C ATOM 1128 O GLY A 75 -10.151 2.532 1.341 1.00 35.23 O ATOM 0 H GLY A 75 -7.259 4.884 3.447 1.00 21.21 H new ATOM 0 HA2 GLY A 75 -9.888 3.899 3.436 1.00 52.31 H new ATOM 0 HA3 GLY A 75 -9.237 5.194 2.451 1.00 52.31 H new ATOM 1132 N VAL A 76 -8.131 3.276 0.667 1.00 2.21 N ATOM 1133 CA VAL A 76 -8.035 2.438 -0.527 1.00 63.35 C ATOM 1134 C VAL A 76 -8.221 0.971 -0.124 1.00 33.40 C ATOM 1135 O VAL A 76 -9.110 0.291 -0.638 1.00 1.14 O ATOM 1136 CB VAL A 76 -6.695 2.673 -1.272 1.00 31.20 C ATOM 1137 CG1 VAL A 76 -6.736 2.051 -2.672 1.00 11.33 C ATOM 1138 CG2 VAL A 76 -6.336 4.162 -1.405 1.00 20.52 C ATOM 0 H VAL A 76 -7.323 3.884 0.799 1.00 2.21 H new ATOM 0 HA VAL A 76 -8.825 2.709 -1.227 1.00 63.35 H new ATOM 0 HB VAL A 76 -5.927 2.193 -0.665 1.00 31.20 H new ATOM 0 HG11 VAL A 76 -5.786 2.228 -3.177 1.00 11.33 H new ATOM 0 HG12 VAL A 76 -6.908 0.978 -2.588 1.00 11.33 H new ATOM 0 HG13 VAL A 76 -7.543 2.504 -3.248 1.00 11.33 H new ATOM 0 HG21 VAL A 76 -5.389 4.262 -1.935 1.00 20.52 H new ATOM 0 HG22 VAL A 76 -7.119 4.677 -1.962 1.00 20.52 H new ATOM 0 HG23 VAL A 76 -6.245 4.604 -0.413 1.00 20.52 H new ATOM 1148 N MET A 77 -7.427 0.497 0.845 1.00 51.45 N ATOM 1149 CA MET A 77 -7.470 -0.893 1.303 1.00 43.14 C ATOM 1150 C MET A 77 -8.871 -1.273 1.759 1.00 53.33 C ATOM 1151 O MET A 77 -9.412 -2.285 1.315 1.00 61.00 O ATOM 1152 CB MET A 77 -6.498 -1.138 2.461 1.00 75.04 C ATOM 1153 CG MET A 77 -5.070 -0.716 2.131 1.00 53.51 C ATOM 1154 SD MET A 77 -3.806 -1.956 2.495 1.00 74.45 S ATOM 1155 CE MET A 77 -2.367 -0.870 2.547 1.00 13.22 C ATOM 0 H MET A 77 -6.737 1.069 1.332 1.00 51.45 H new ATOM 0 HA MET A 77 -7.176 -1.510 0.454 1.00 43.14 H new ATOM 0 HB2 MET A 77 -6.840 -0.591 3.339 1.00 75.04 H new ATOM 0 HB3 MET A 77 -6.509 -2.196 2.721 1.00 75.04 H new ATOM 0 HG2 MET A 77 -5.017 -0.464 1.072 1.00 53.51 H new ATOM 0 HG3 MET A 77 -4.838 0.192 2.687 1.00 53.51 H new ATOM 0 HE1 MET A 77 -1.657 -1.170 1.776 1.00 13.22 H new ATOM 0 HE2 MET A 77 -2.681 0.159 2.370 1.00 13.22 H new ATOM 0 HE3 MET A 77 -1.892 -0.942 3.526 1.00 13.22 H new ATOM 1165 N LYS A 78 -9.464 -0.442 2.620 1.00 4.53 N ATOM 1166 CA LYS A 78 -10.779 -0.704 3.189 1.00 55.40 C ATOM 1167 C LYS A 78 -11.777 -0.947 2.075 1.00 2.15 C ATOM 1168 O LYS A 78 -12.440 -1.983 2.076 1.00 12.13 O ATOM 1169 CB LYS A 78 -11.261 0.450 4.078 1.00 4.50 C ATOM 1170 CG LYS A 78 -10.783 0.302 5.524 1.00 1.31 C ATOM 1171 CD LYS A 78 -11.688 1.114 6.451 1.00 15.33 C ATOM 1172 CE LYS A 78 -11.293 0.907 7.912 1.00 75.01 C ATOM 1173 NZ LYS A 78 -12.127 1.751 8.784 1.00 63.21 N ATOM 0 H LYS A 78 -9.042 0.430 2.939 1.00 4.53 H new ATOM 0 HA LYS A 78 -10.699 -1.591 3.817 1.00 55.40 H new ATOM 0 HB2 LYS A 78 -10.899 1.395 3.672 1.00 4.50 H new ATOM 0 HB3 LYS A 78 -12.350 0.491 4.059 1.00 4.50 H new ATOM 0 HG2 LYS A 78 -10.796 -0.748 5.816 1.00 1.31 H new ATOM 0 HG3 LYS A 78 -9.752 0.645 5.614 1.00 1.31 H new ATOM 0 HD2 LYS A 78 -11.620 2.172 6.198 1.00 15.33 H new ATOM 0 HD3 LYS A 78 -12.726 0.817 6.305 1.00 15.33 H new ATOM 0 HE2 LYS A 78 -11.413 -0.142 8.185 1.00 75.01 H new ATOM 0 HE3 LYS A 78 -10.241 1.154 8.051 1.00 75.01 H new ATOM 0 HZ1 LYS A 78 -11.852 1.604 9.776 1.00 63.21 H new ATOM 0 HZ2 LYS A 78 -11.992 2.751 8.532 1.00 63.21 H new ATOM 0 HZ3 LYS A 78 -13.128 1.495 8.661 1.00 63.21 H new ATOM 1187 N THR A 79 -11.810 -0.031 1.109 1.00 42.34 N ATOM 1188 CA THR A 79 -12.705 -0.101 -0.030 1.00 2.32 C ATOM 1189 C THR A 79 -12.533 -1.443 -0.746 1.00 2.55 C ATOM 1190 O THR A 79 -13.520 -2.121 -0.998 1.00 15.34 O ATOM 1191 CB THR A 79 -12.438 1.083 -0.980 1.00 53.31 C ATOM 1192 OG1 THR A 79 -12.306 2.324 -0.296 1.00 41.24 O ATOM 1193 CG2 THR A 79 -13.571 1.236 -1.996 1.00 72.43 C ATOM 0 H THR A 79 -11.205 0.790 1.101 1.00 42.34 H new ATOM 0 HA THR A 79 -13.738 -0.032 0.312 1.00 2.32 H new ATOM 0 HB THR A 79 -11.496 0.849 -1.476 1.00 53.31 H new ATOM 0 HG1 THR A 79 -11.429 2.365 0.140 1.00 41.24 H new ATOM 0 HG21 THR A 79 -13.358 2.078 -2.654 1.00 72.43 H new ATOM 0 HG22 THR A 79 -13.654 0.325 -2.588 1.00 72.43 H new ATOM 0 HG23 THR A 79 -14.509 1.414 -1.471 1.00 72.43 H new ATOM 1201 N TYR A 80 -11.301 -1.870 -1.044 1.00 73.14 N ATOM 1202 CA TYR A 80 -11.095 -3.137 -1.738 1.00 24.34 C ATOM 1203 C TYR A 80 -11.558 -4.339 -0.914 1.00 61.31 C ATOM 1204 O TYR A 80 -12.192 -5.241 -1.467 1.00 51.41 O ATOM 1205 CB TYR A 80 -9.633 -3.303 -2.154 1.00 32.12 C ATOM 1206 CG TYR A 80 -9.340 -2.615 -3.466 1.00 0.23 C ATOM 1207 CD1 TYR A 80 -9.837 -3.171 -4.661 1.00 1.25 C ATOM 1208 CD2 TYR A 80 -8.614 -1.412 -3.494 1.00 21.14 C ATOM 1209 CE1 TYR A 80 -9.586 -2.547 -5.891 1.00 54.34 C ATOM 1210 CE2 TYR A 80 -8.323 -0.807 -4.728 1.00 40.34 C ATOM 1211 CZ TYR A 80 -8.805 -1.372 -5.930 1.00 75.23 C ATOM 1212 OH TYR A 80 -8.512 -0.785 -7.119 1.00 73.53 O ATOM 0 H TYR A 80 -10.446 -1.363 -0.818 1.00 73.14 H new ATOM 0 HA TYR A 80 -11.714 -3.105 -2.635 1.00 24.34 H new ATOM 0 HB2 TYR A 80 -8.986 -2.895 -1.378 1.00 32.12 H new ATOM 0 HB3 TYR A 80 -9.398 -4.364 -2.240 1.00 32.12 H new ATOM 0 HD1 TYR A 80 -10.415 -4.083 -4.629 1.00 1.25 H new ATOM 0 HD2 TYR A 80 -8.282 -0.956 -2.573 1.00 21.14 H new ATOM 0 HE1 TYR A 80 -9.988 -2.963 -6.803 1.00 54.34 H new ATOM 0 HE2 TYR A 80 -7.728 0.094 -4.758 1.00 40.34 H new ATOM 0 HH TYR A 80 -9.236 -0.958 -7.756 1.00 73.53 H new ATOM 1222 N ARG A 81 -11.248 -4.397 0.387 1.00 20.25 N ATOM 1223 CA ARG A 81 -11.698 -5.515 1.226 1.00 64.01 C ATOM 1224 C ARG A 81 -13.210 -5.457 1.474 1.00 4.24 C ATOM 1225 O ARG A 81 -13.797 -6.464 1.850 1.00 53.34 O ATOM 1226 CB ARG A 81 -10.929 -5.566 2.560 1.00 41.31 C ATOM 1227 CG ARG A 81 -10.757 -7.016 3.063 1.00 73.31 C ATOM 1228 CD ARG A 81 -10.778 -7.103 4.597 1.00 71.31 C ATOM 1229 NE ARG A 81 -10.201 -8.353 5.128 1.00 11.51 N ATOM 1230 CZ ARG A 81 -10.671 -9.603 5.040 1.00 74.10 C ATOM 1231 NH1 ARG A 81 -11.767 -9.894 4.358 1.00 75.21 N ATOM 1232 NH2 ARG A 81 -10.040 -10.584 5.670 1.00 15.32 N ATOM 0 H ARG A 81 -10.695 -3.693 0.877 1.00 20.25 H new ATOM 0 HA ARG A 81 -11.482 -6.433 0.679 1.00 64.01 H new ATOM 0 HB2 ARG A 81 -9.949 -5.106 2.433 1.00 41.31 H new ATOM 0 HB3 ARG A 81 -11.461 -4.981 3.310 1.00 41.31 H new ATOM 0 HG2 ARG A 81 -11.554 -7.638 2.654 1.00 73.31 H new ATOM 0 HG3 ARG A 81 -9.815 -7.419 2.691 1.00 73.31 H new ATOM 0 HD2 ARG A 81 -10.228 -6.256 5.008 1.00 71.31 H new ATOM 0 HD3 ARG A 81 -11.808 -7.013 4.943 1.00 71.31 H new ATOM 0 HE ARG A 81 -9.321 -8.250 5.633 1.00 11.51 H new ATOM 0 HH11 ARG A 81 -12.281 -9.155 3.879 1.00 75.21 H new ATOM 0 HH12 ARG A 81 -12.098 -10.858 4.311 1.00 75.21 H new ATOM 0 HH21 ARG A 81 -9.203 -10.383 6.217 1.00 15.32 H new ATOM 0 HH22 ARG A 81 -10.392 -11.539 5.608 1.00 15.32 H new ATOM 1246 N GLN A 82 -13.851 -4.307 1.292 1.00 12.41 N ATOM 1247 CA GLN A 82 -15.280 -4.113 1.500 1.00 14.23 C ATOM 1248 C GLN A 82 -15.871 -3.431 0.271 1.00 22.31 C ATOM 1249 O GLN A 82 -16.347 -2.299 0.302 1.00 33.42 O ATOM 1250 CB GLN A 82 -15.535 -3.362 2.816 1.00 20.33 C ATOM 1251 CG GLN A 82 -16.056 -4.289 3.926 1.00 51.32 C ATOM 1252 CD GLN A 82 -17.439 -4.854 3.603 1.00 73.11 C ATOM 1253 OE1 GLN A 82 -18.382 -4.113 3.354 1.00 14.13 O ATOM 1254 NE2 GLN A 82 -17.596 -6.161 3.576 1.00 31.22 N ATOM 0 H GLN A 82 -13.375 -3.459 0.986 1.00 12.41 H new ATOM 0 HA GLN A 82 -15.789 -5.070 1.610 1.00 14.23 H new ATOM 0 HB2 GLN A 82 -14.611 -2.888 3.146 1.00 20.33 H new ATOM 0 HB3 GLN A 82 -16.258 -2.565 2.643 1.00 20.33 H new ATOM 0 HG2 GLN A 82 -15.354 -5.110 4.070 1.00 51.32 H new ATOM 0 HG3 GLN A 82 -16.100 -3.739 4.866 1.00 51.32 H new ATOM 0 HE21 GLN A 82 -16.808 -6.774 3.784 1.00 31.22 H new ATOM 0 HE22 GLN A 82 -18.506 -6.561 3.347 1.00 31.22 H new ATOM 1263 N ARG A 83 -15.834 -4.164 -0.838 1.00 60.30 N ATOM 1264 CA ARG A 83 -16.347 -3.703 -2.126 1.00 75.41 C ATOM 1265 C ARG A 83 -17.742 -4.246 -2.426 1.00 43.22 C ATOM 1266 O ARG A 83 -18.274 -3.992 -3.503 1.00 43.12 O ATOM 1267 CB ARG A 83 -15.309 -3.925 -3.241 1.00 13.35 C ATOM 1268 CG ARG A 83 -15.093 -5.380 -3.671 1.00 15.11 C ATOM 1269 CD ARG A 83 -13.877 -5.461 -4.604 1.00 23.12 C ATOM 1270 NE ARG A 83 -13.969 -6.614 -5.518 1.00 11.03 N ATOM 1271 CZ ARG A 83 -14.575 -6.637 -6.711 1.00 0.42 C ATOM 1272 NH1 ARG A 83 -15.024 -5.505 -7.241 1.00 62.51 N ATOM 1273 NH2 ARG A 83 -14.733 -7.781 -7.364 1.00 72.23 N ATOM 0 H ARG A 83 -15.443 -5.105 -0.869 1.00 60.30 H new ATOM 0 HA ARG A 83 -16.495 -2.624 -2.074 1.00 75.41 H new ATOM 0 HB2 ARG A 83 -15.614 -3.349 -4.115 1.00 13.35 H new ATOM 0 HB3 ARG A 83 -14.354 -3.519 -2.908 1.00 13.35 H new ATOM 0 HG2 ARG A 83 -14.936 -6.010 -2.795 1.00 15.11 H new ATOM 0 HG3 ARG A 83 -15.981 -5.756 -4.179 1.00 15.11 H new ATOM 0 HD2 ARG A 83 -13.801 -4.541 -5.184 1.00 23.12 H new ATOM 0 HD3 ARG A 83 -12.967 -5.539 -4.010 1.00 23.12 H new ATOM 0 HE ARG A 83 -13.527 -7.480 -5.211 1.00 11.03 H new ATOM 0 HH11 ARG A 83 -14.906 -4.625 -6.739 1.00 62.51 H new ATOM 0 HH12 ARG A 83 -15.487 -5.516 -8.150 1.00 62.51 H new ATOM 0 HH21 ARG A 83 -14.391 -8.652 -6.957 1.00 72.23 H new ATOM 0 HH22 ARG A 83 -15.196 -7.790 -8.273 1.00 72.23 H new ATOM 1287 N GLU A 84 -18.368 -4.957 -1.489 1.00 74.44 N ATOM 1288 CA GLU A 84 -19.738 -5.480 -1.588 1.00 72.30 C ATOM 1289 C GLU A 84 -20.799 -4.431 -1.210 1.00 55.40 C ATOM 1290 O GLU A 84 -21.884 -4.780 -0.739 1.00 63.33 O ATOM 1291 CB GLU A 84 -19.863 -6.789 -0.786 1.00 53.52 C ATOM 1292 CG GLU A 84 -19.666 -6.655 0.733 1.00 44.53 C ATOM 1293 CD GLU A 84 -19.722 -7.989 1.483 1.00 73.41 C ATOM 1294 OE1 GLU A 84 -19.815 -9.076 0.843 1.00 40.41 O ATOM 1295 OE2 GLU A 84 -19.567 -8.005 2.720 1.00 61.32 O ATOM 0 H GLU A 84 -17.921 -5.196 -0.604 1.00 74.44 H new ATOM 0 HA GLU A 84 -19.941 -5.715 -2.633 1.00 72.30 H new ATOM 0 HB2 GLU A 84 -20.849 -7.215 -0.971 1.00 53.52 H new ATOM 0 HB3 GLU A 84 -19.131 -7.501 -1.169 1.00 53.52 H new ATOM 0 HG2 GLU A 84 -18.703 -6.181 0.925 1.00 44.53 H new ATOM 0 HG3 GLU A 84 -20.433 -5.992 1.132 1.00 44.53 H new ATOM 1302 N LYS A 85 -20.509 -3.150 -1.457 1.00 60.31 N ATOM 1303 CA LYS A 85 -21.221 -1.984 -0.953 1.00 21.04 C ATOM 1304 C LYS A 85 -20.912 -1.861 0.526 1.00 20.22 C ATOM 1305 O LYS A 85 -21.786 -2.092 1.384 1.00 60.33 O ATOM 1306 CB LYS A 85 -22.708 -1.950 -1.368 1.00 4.13 C ATOM 1307 CG LYS A 85 -23.308 -0.540 -1.326 1.00 64.21 C ATOM 1308 CD LYS A 85 -22.678 0.436 -2.340 1.00 0.44 C ATOM 1309 CE LYS A 85 -23.551 0.711 -3.564 1.00 1.53 C ATOM 1310 NZ LYS A 85 -22.952 1.785 -4.381 1.00 63.24 N ATOM 0 H LYS A 85 -19.722 -2.890 -2.051 1.00 60.31 H new ATOM 0 HA LYS A 85 -20.866 -1.068 -1.427 1.00 21.04 H new ATOM 0 HB2 LYS A 85 -22.808 -2.352 -2.376 1.00 4.13 H new ATOM 0 HB3 LYS A 85 -23.279 -2.602 -0.707 1.00 4.13 H new ATOM 0 HG2 LYS A 85 -24.379 -0.605 -1.517 1.00 64.21 H new ATOM 0 HG3 LYS A 85 -23.187 -0.134 -0.322 1.00 64.21 H new ATOM 0 HD2 LYS A 85 -22.467 1.380 -1.837 1.00 0.44 H new ATOM 0 HD3 LYS A 85 -21.722 0.032 -2.672 1.00 0.44 H new ATOM 0 HE2 LYS A 85 -23.653 -0.196 -4.159 1.00 1.53 H new ATOM 0 HE3 LYS A 85 -24.554 0.999 -3.248 1.00 1.53 H new ATOM 0 HZ1 LYS A 85 -23.552 1.965 -5.211 1.00 63.24 H new ATOM 0 HZ2 LYS A 85 -22.877 2.653 -3.813 1.00 63.24 H new ATOM 0 HZ3 LYS A 85 -22.004 1.494 -4.696 1.00 63.24 H new TER 1324 LYS A 85