USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 802 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 SER OG : rot 161:sc= 0.432 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -144:sc= 0.549 (180deg=0) USER MOD Set 2.1: A 41 GLN : amide:sc= -0.842 K(o=-1.2,f=-2.3) USER MOD Set 2.2: A 49 GLN : amide:sc= -0.329 K(o=-1.2,f=-3.2) USER MOD Set 3.1: A 43 THR OG1 : rot -142:sc= 2.1 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 1.05 USER MOD Set 4.1: A 28 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.2) USER MOD Set 4.2: A 32 LYS NZ :NH3+ 157:sc= -0.0659 (180deg=-0.44) USER MOD Set 5.1: A 26 HIS : no HD1:sc= 0.413 K(o=0.41,f=-2) USER MOD Set 5.2: A 71 SER OG : rot 64:sc=-0.00347 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 55:sc= 0.822 USER MOD Single : A 12 TYR OH : rot 120:sc= -1.27 USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= 0.837 (180deg=0.413) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.057 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.39) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 0.0239 (180deg=0.00657) USER MOD Single : A 53 GLN : amide:sc= -0.258 K(o=-0.26,f=-2) USER MOD Single : A 62 MET CE :methyl -165:sc= -1.26 (180deg=-2.7) USER MOD Single : A 63 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -142:sc= 0.193 USER MOD Single : A 75 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.044) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.2!) USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 0.488 (180deg=0.479) USER MOD Single : A 83 ASN : amide:sc= -0.756 X(o=-0.76,f=-1) USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= -0.101 (180deg=-0.476) USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= -0.0766 (180deg=-0.395) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.44) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.036 4.096 -7.744 1.00 20.25 N ATOM 2 CA GLY A 1 1.082 3.101 -7.594 1.00 42.23 C ATOM 3 C GLY A 1 0.533 1.691 -7.504 1.00 2.33 C ATOM 4 O GLY A 1 0.616 1.052 -6.455 1.00 54.13 O ATOM 0 H1 GLY A 1 0.463 5.043 -7.801 1.00 20.25 H new ATOM 0 H2 GLY A 1 -0.502 3.906 -8.614 1.00 20.25 H new ATOM 0 H3 GLY A 1 -0.604 4.053 -6.925 1.00 20.25 H new ATOM 0 HA2 GLY A 1 1.766 3.168 -8.440 1.00 42.23 H new ATOM 0 HA3 GLY A 1 1.661 3.320 -6.697 1.00 42.23 H new ATOM 8 N ALA A 2 -0.030 1.205 -8.605 1.00 14.51 N ATOM 9 CA ALA A 2 -0.595 -0.138 -8.645 1.00 40.33 C ATOM 10 C ALA A 2 0.503 -1.192 -8.730 1.00 21.54 C ATOM 11 O ALA A 2 1.467 -1.039 -9.479 1.00 74.24 O ATOM 12 CB ALA A 2 -1.551 -0.273 -9.821 1.00 60.22 C ATOM 0 H ALA A 2 -0.107 1.721 -9.481 1.00 14.51 H new ATOM 0 HA ALA A 2 -1.149 -0.301 -7.720 1.00 40.33 H new ATOM 0 HB1 ALA A 2 -1.966 -1.281 -9.839 1.00 60.22 H new ATOM 0 HB2 ALA A 2 -2.360 0.450 -9.717 1.00 60.22 H new ATOM 0 HB3 ALA A 2 -1.013 -0.085 -10.750 1.00 60.22 H new ATOM 18 N GLU A 3 0.351 -2.262 -7.955 1.00 74.21 N ATOM 19 CA GLU A 3 1.331 -3.341 -7.942 1.00 64.23 C ATOM 20 C GLU A 3 1.577 -3.870 -9.353 1.00 3.45 C ATOM 21 O GLU A 3 0.692 -3.828 -10.206 1.00 22.21 O ATOM 22 CB GLU A 3 0.859 -4.479 -7.035 1.00 10.13 C ATOM 23 CG GLU A 3 -0.413 -5.155 -7.518 1.00 64.44 C ATOM 24 CD GLU A 3 -1.069 -6.000 -6.444 1.00 15.44 C ATOM 25 OE1 GLU A 3 -0.478 -7.028 -6.054 1.00 23.12 O ATOM 26 OE2 GLU A 3 -2.174 -5.633 -5.993 1.00 14.53 O ATOM 0 H GLU A 3 -0.441 -2.404 -7.328 1.00 74.21 H new ATOM 0 HA GLU A 3 2.268 -2.941 -7.553 1.00 64.23 H new ATOM 0 HB2 GLU A 3 1.651 -5.225 -6.960 1.00 10.13 H new ATOM 0 HB3 GLU A 3 0.694 -4.088 -6.031 1.00 10.13 H new ATOM 0 HG2 GLU A 3 -1.117 -4.395 -7.858 1.00 64.44 H new ATOM 0 HG3 GLU A 3 -0.182 -5.783 -8.378 1.00 64.44 H new ATOM 33 N GLY A 4 2.788 -4.366 -9.590 1.00 31.25 N ATOM 34 CA GLY A 4 3.130 -4.895 -10.897 1.00 72.00 C ATOM 35 C GLY A 4 4.520 -5.498 -10.933 1.00 31.30 C ATOM 36 O GLY A 4 5.486 -4.826 -11.289 1.00 44.04 O ATOM 0 H GLY A 4 3.538 -4.411 -8.900 1.00 31.25 H new ATOM 0 HA2 GLY A 4 2.401 -5.654 -11.181 1.00 72.00 H new ATOM 0 HA3 GLY A 4 3.064 -4.097 -11.637 1.00 72.00 H new ATOM 40 N ASN A 5 4.621 -6.770 -10.561 1.00 60.31 N ATOM 41 CA ASN A 5 5.904 -7.464 -10.550 1.00 50.31 C ATOM 42 C ASN A 5 5.847 -8.726 -11.405 1.00 44.13 C ATOM 43 O ASN A 5 5.575 -9.818 -10.905 1.00 11.44 O ATOM 44 CB ASN A 5 6.301 -7.823 -9.117 1.00 1.32 C ATOM 45 CG ASN A 5 6.200 -6.638 -8.175 1.00 61.40 C ATOM 46 OD1 ASN A 5 7.115 -5.819 -8.089 1.00 62.44 O ATOM 47 ND2 ASN A 5 5.084 -6.543 -7.462 1.00 74.03 N ATOM 0 H ASN A 5 3.830 -7.341 -10.263 1.00 60.31 H new ATOM 0 HA ASN A 5 6.654 -6.795 -10.971 1.00 50.31 H new ATOM 0 HB2 ASN A 5 5.659 -8.627 -8.756 1.00 1.32 H new ATOM 0 HB3 ASN A 5 7.323 -8.203 -9.110 1.00 1.32 H new ATOM 0 HD21 ASN A 5 4.959 -5.768 -6.811 1.00 74.03 H new ATOM 0 HD22 ASN A 5 4.351 -7.245 -7.566 1.00 74.03 H new ATOM 54 N THR A 6 6.108 -8.569 -12.700 1.00 35.43 N ATOM 55 CA THR A 6 6.086 -9.695 -13.625 1.00 71.12 C ATOM 56 C THR A 6 7.438 -9.872 -14.307 1.00 32.42 C ATOM 57 O THR A 6 7.646 -9.405 -15.427 1.00 73.25 O ATOM 58 CB THR A 6 5.000 -9.516 -14.703 1.00 0.32 C ATOM 59 OG1 THR A 6 3.758 -9.152 -14.091 1.00 34.24 O ATOM 60 CG2 THR A 6 4.820 -10.794 -15.508 1.00 12.05 C ATOM 0 H THR A 6 6.337 -7.673 -13.131 1.00 35.43 H new ATOM 0 HA THR A 6 5.859 -10.584 -13.036 1.00 71.12 H new ATOM 0 HB THR A 6 5.318 -8.722 -15.379 1.00 0.32 H new ATOM 0 HG1 THR A 6 3.073 -9.038 -14.783 1.00 34.24 H new ATOM 0 HG21 THR A 6 4.048 -10.643 -16.263 1.00 12.05 H new ATOM 0 HG22 THR A 6 5.760 -11.052 -15.997 1.00 12.05 H new ATOM 0 HG23 THR A 6 4.523 -11.604 -14.842 1.00 12.05 H new ATOM 68 N LEU A 7 8.354 -10.550 -13.625 1.00 24.30 N ATOM 69 CA LEU A 7 9.688 -10.790 -14.166 1.00 31.53 C ATOM 70 C LEU A 7 9.614 -11.586 -15.465 1.00 34.32 C ATOM 71 O LEU A 7 9.163 -12.732 -15.477 1.00 74.11 O ATOM 72 CB LEU A 7 10.547 -11.538 -13.144 1.00 73.44 C ATOM 73 CG LEU A 7 10.806 -10.811 -11.825 1.00 23.13 C ATOM 74 CD1 LEU A 7 11.619 -11.687 -10.884 1.00 1.44 C ATOM 75 CD2 LEU A 7 11.518 -9.490 -12.075 1.00 41.40 C ATOM 0 H LEU A 7 8.198 -10.943 -12.697 1.00 24.30 H new ATOM 0 HA LEU A 7 10.146 -9.824 -14.379 1.00 31.53 H new ATOM 0 HB2 LEU A 7 10.066 -12.490 -12.922 1.00 73.44 H new ATOM 0 HB3 LEU A 7 11.508 -11.766 -13.605 1.00 73.44 H new ATOM 0 HG LEU A 7 9.846 -10.600 -11.354 1.00 23.13 H new ATOM 0 HD11 LEU A 7 11.794 -11.153 -9.950 1.00 1.44 H new ATOM 0 HD12 LEU A 7 11.071 -12.607 -10.679 1.00 1.44 H new ATOM 0 HD13 LEU A 7 12.575 -11.930 -11.348 1.00 1.44 H new ATOM 0 HD21 LEU A 7 11.694 -8.986 -11.125 1.00 41.40 H new ATOM 0 HD22 LEU A 7 12.472 -9.678 -12.568 1.00 41.40 H new ATOM 0 HD23 LEU A 7 10.899 -8.858 -12.712 1.00 41.40 H new ATOM 87 N ILE A 8 10.061 -10.972 -16.555 1.00 74.40 N ATOM 88 CA ILE A 8 10.048 -11.625 -17.858 1.00 74.13 C ATOM 89 C ILE A 8 11.352 -11.380 -18.609 1.00 1.20 C ATOM 90 O ILE A 8 12.122 -10.485 -18.260 1.00 62.12 O ATOM 91 CB ILE A 8 8.871 -11.134 -18.722 1.00 60.02 C ATOM 92 CG1 ILE A 8 8.944 -9.617 -18.907 1.00 11.12 C ATOM 93 CG2 ILE A 8 7.546 -11.533 -18.089 1.00 64.12 C ATOM 94 CD1 ILE A 8 8.357 -9.139 -20.217 1.00 4.34 C ATOM 0 H ILE A 8 10.437 -10.024 -16.562 1.00 74.40 H new ATOM 0 HA ILE A 8 9.933 -12.693 -17.674 1.00 74.13 H new ATOM 0 HB ILE A 8 8.939 -11.604 -19.703 1.00 60.02 H new ATOM 0 HG12 ILE A 8 8.418 -9.133 -18.084 1.00 11.12 H new ATOM 0 HG13 ILE A 8 9.986 -9.302 -18.848 1.00 11.12 H new ATOM 0 HG21 ILE A 8 6.724 -11.179 -18.711 1.00 64.12 H new ATOM 0 HG22 ILE A 8 7.495 -12.619 -18.004 1.00 64.12 H new ATOM 0 HG23 ILE A 8 7.468 -11.088 -17.097 1.00 64.12 H new ATOM 0 HD11 ILE A 8 8.443 -8.054 -20.280 1.00 4.34 H new ATOM 0 HD12 ILE A 8 8.898 -9.595 -21.046 1.00 4.34 H new ATOM 0 HD13 ILE A 8 7.306 -9.423 -20.270 1.00 4.34 H new ATOM 106 N SER A 9 11.593 -12.180 -19.643 1.00 12.40 N ATOM 107 CA SER A 9 12.805 -12.051 -20.443 1.00 3.12 C ATOM 108 C SER A 9 12.474 -12.033 -21.932 1.00 63.51 C ATOM 109 O SER A 9 12.422 -13.079 -22.580 1.00 54.35 O ATOM 110 CB SER A 9 13.768 -13.200 -20.136 1.00 42.42 C ATOM 111 OG SER A 9 13.181 -14.453 -20.443 1.00 4.54 O ATOM 0 H SER A 9 10.965 -12.924 -19.946 1.00 12.40 H new ATOM 0 HA SER A 9 13.283 -11.106 -20.184 1.00 3.12 H new ATOM 0 HB2 SER A 9 14.685 -13.074 -20.711 1.00 42.42 H new ATOM 0 HB3 SER A 9 14.047 -13.174 -19.083 1.00 42.42 H new ATOM 0 HG SER A 9 12.880 -14.453 -21.376 1.00 4.54 H new ATOM 117 N VAL A 10 12.252 -10.838 -22.468 1.00 51.25 N ATOM 118 CA VAL A 10 11.927 -10.682 -23.881 1.00 70.13 C ATOM 119 C VAL A 10 13.114 -10.127 -24.660 1.00 62.33 C ATOM 120 O VAL A 10 13.775 -9.187 -24.219 1.00 14.31 O ATOM 121 CB VAL A 10 10.716 -9.751 -24.079 1.00 44.45 C ATOM 122 CG1 VAL A 10 11.061 -8.330 -23.660 1.00 4.21 C ATOM 123 CG2 VAL A 10 10.246 -9.789 -25.526 1.00 4.13 C ATOM 0 H VAL A 10 12.291 -9.963 -21.945 1.00 51.25 H new ATOM 0 HA VAL A 10 11.679 -11.673 -24.260 1.00 70.13 H new ATOM 0 HB VAL A 10 9.901 -10.104 -23.446 1.00 44.45 H new ATOM 0 HG11 VAL A 10 10.194 -7.687 -23.807 1.00 4.21 H new ATOM 0 HG12 VAL A 10 11.346 -8.320 -22.608 1.00 4.21 H new ATOM 0 HG13 VAL A 10 11.891 -7.964 -24.264 1.00 4.21 H new ATOM 0 HG21 VAL A 10 9.390 -9.126 -25.648 1.00 4.13 H new ATOM 0 HG22 VAL A 10 11.054 -9.462 -26.180 1.00 4.13 H new ATOM 0 HG23 VAL A 10 9.957 -10.807 -25.788 1.00 4.13 H new ATOM 133 N ASP A 11 13.380 -10.716 -25.821 1.00 54.44 N ATOM 134 CA ASP A 11 14.487 -10.279 -26.664 1.00 70.31 C ATOM 135 C ASP A 11 14.001 -9.951 -28.072 1.00 45.05 C ATOM 136 O ASP A 11 12.997 -10.491 -28.535 1.00 73.44 O ATOM 137 CB ASP A 11 15.568 -11.360 -26.723 1.00 13.02 C ATOM 138 CG ASP A 11 14.987 -12.752 -26.871 1.00 33.41 C ATOM 139 OD1 ASP A 11 14.574 -13.335 -25.846 1.00 52.54 O ATOM 140 OD2 ASP A 11 14.946 -13.260 -28.011 1.00 73.42 O ATOM 0 H ASP A 11 12.844 -11.497 -26.200 1.00 54.44 H new ATOM 0 HA ASP A 11 14.911 -9.375 -26.226 1.00 70.31 H new ATOM 0 HB2 ASP A 11 16.235 -11.157 -27.561 1.00 13.02 H new ATOM 0 HB3 ASP A 11 16.172 -11.316 -25.817 1.00 13.02 H new ATOM 145 N TYR A 12 14.721 -9.062 -28.748 1.00 55.41 N ATOM 146 CA TYR A 12 14.361 -8.658 -30.102 1.00 61.44 C ATOM 147 C TYR A 12 15.510 -7.910 -30.771 1.00 64.52 C ATOM 148 O TYR A 12 16.508 -7.583 -30.130 1.00 11.43 O ATOM 149 CB TYR A 12 13.110 -7.779 -30.080 1.00 50.31 C ATOM 150 CG TYR A 12 13.140 -6.711 -29.010 1.00 52.53 C ATOM 151 CD1 TYR A 12 14.105 -5.711 -29.026 1.00 51.11 C ATOM 152 CD2 TYR A 12 12.204 -6.701 -27.984 1.00 20.35 C ATOM 153 CE1 TYR A 12 14.137 -4.733 -28.051 1.00 33.35 C ATOM 154 CE2 TYR A 12 12.227 -5.727 -27.005 1.00 2.23 C ATOM 155 CZ TYR A 12 13.195 -4.745 -27.042 1.00 65.23 C ATOM 156 OH TYR A 12 13.223 -3.774 -26.068 1.00 52.53 O ATOM 0 H TYR A 12 15.557 -8.608 -28.380 1.00 55.41 H new ATOM 0 HA TYR A 12 14.153 -9.559 -30.679 1.00 61.44 H new ATOM 0 HB2 TYR A 12 12.993 -7.303 -31.054 1.00 50.31 H new ATOM 0 HB3 TYR A 12 12.235 -8.411 -29.927 1.00 50.31 H new ATOM 0 HD1 TYR A 12 14.843 -5.698 -29.815 1.00 51.11 H new ATOM 0 HD2 TYR A 12 11.445 -7.468 -27.951 1.00 20.35 H new ATOM 0 HE1 TYR A 12 14.894 -3.964 -28.078 1.00 33.35 H new ATOM 0 HE2 TYR A 12 11.491 -5.734 -26.215 1.00 2.23 H new ATOM 0 HH TYR A 12 12.380 -3.275 -26.079 1.00 52.53 H new ATOM 166 N GLU A 13 15.361 -7.644 -32.065 1.00 40.01 N ATOM 167 CA GLU A 13 16.386 -6.935 -32.822 1.00 3.14 C ATOM 168 C GLU A 13 15.828 -5.647 -33.420 1.00 73.12 C ATOM 169 O GLU A 13 15.347 -5.635 -34.554 1.00 12.13 O ATOM 170 CB GLU A 13 16.941 -7.828 -33.933 1.00 71.31 C ATOM 171 CG GLU A 13 15.864 -8.514 -34.757 1.00 21.21 C ATOM 172 CD GLU A 13 15.499 -9.883 -34.216 1.00 63.23 C ATOM 173 OE1 GLU A 13 16.322 -10.813 -34.351 1.00 34.23 O ATOM 174 OE2 GLU A 13 14.391 -10.024 -33.658 1.00 52.24 O ATOM 0 H GLU A 13 14.541 -7.909 -32.611 1.00 40.01 H new ATOM 0 HA GLU A 13 17.193 -6.677 -32.137 1.00 3.14 H new ATOM 0 HB2 GLU A 13 17.564 -7.226 -34.594 1.00 71.31 H new ATOM 0 HB3 GLU A 13 17.586 -8.587 -33.490 1.00 71.31 H new ATOM 0 HG2 GLU A 13 14.973 -7.886 -34.778 1.00 21.21 H new ATOM 0 HG3 GLU A 13 16.208 -8.614 -35.786 1.00 21.21 H new ATOM 181 N ILE A 14 15.895 -4.566 -32.650 1.00 73.24 N ATOM 182 CA ILE A 14 15.397 -3.274 -33.104 1.00 54.33 C ATOM 183 C ILE A 14 15.974 -2.910 -34.468 1.00 2.12 C ATOM 184 O ILE A 14 17.129 -3.215 -34.766 1.00 61.03 O ATOM 185 CB ILE A 14 15.736 -2.156 -32.101 1.00 13.32 C ATOM 186 CG1 ILE A 14 15.128 -2.467 -30.732 1.00 34.52 C ATOM 187 CG2 ILE A 14 15.237 -0.813 -32.615 1.00 30.52 C ATOM 188 CD1 ILE A 14 13.631 -2.686 -30.771 1.00 64.51 C ATOM 0 H ILE A 14 16.289 -4.560 -31.709 1.00 73.24 H new ATOM 0 HA ILE A 14 14.314 -3.364 -33.183 1.00 54.33 H new ATOM 0 HB ILE A 14 16.819 -2.102 -31.993 1.00 13.32 H new ATOM 0 HG12 ILE A 14 15.607 -3.357 -30.325 1.00 34.52 H new ATOM 0 HG13 ILE A 14 15.349 -1.646 -30.050 1.00 34.52 H new ATOM 0 HG21 ILE A 14 15.484 -0.033 -31.895 1.00 30.52 H new ATOM 0 HG22 ILE A 14 15.713 -0.589 -33.570 1.00 30.52 H new ATOM 0 HG23 ILE A 14 14.156 -0.854 -32.749 1.00 30.52 H new ATOM 0 HD11 ILE A 14 13.269 -2.902 -29.766 1.00 64.51 H new ATOM 0 HD12 ILE A 14 13.142 -1.788 -31.148 1.00 64.51 H new ATOM 0 HD13 ILE A 14 13.403 -3.526 -31.427 1.00 64.51 H new ATOM 200 N PHE A 15 15.164 -2.254 -35.292 1.00 34.31 N ATOM 201 CA PHE A 15 15.594 -1.847 -36.624 1.00 60.44 C ATOM 202 C PHE A 15 16.168 -0.434 -36.603 1.00 13.44 C ATOM 203 O PHE A 15 16.398 0.138 -35.538 1.00 14.50 O ATOM 204 CB PHE A 15 14.423 -1.919 -37.606 1.00 75.40 C ATOM 205 CG PHE A 15 13.579 -3.151 -37.443 1.00 70.43 C ATOM 206 CD1 PHE A 15 14.166 -4.381 -37.194 1.00 23.21 C ATOM 207 CD2 PHE A 15 12.199 -3.080 -37.540 1.00 54.34 C ATOM 208 CE1 PHE A 15 13.393 -5.517 -37.043 1.00 51.13 C ATOM 209 CE2 PHE A 15 11.420 -4.212 -37.390 1.00 42.32 C ATOM 210 CZ PHE A 15 12.018 -5.432 -37.143 1.00 20.03 C ATOM 0 H PHE A 15 14.206 -1.993 -35.060 1.00 34.31 H new ATOM 0 HA PHE A 15 16.376 -2.533 -36.951 1.00 60.44 H new ATOM 0 HB2 PHE A 15 13.795 -1.038 -37.475 1.00 75.40 H new ATOM 0 HB3 PHE A 15 14.810 -1.886 -38.624 1.00 75.40 H new ATOM 0 HD1 PHE A 15 15.241 -4.453 -37.117 1.00 23.21 H new ATOM 0 HD2 PHE A 15 11.726 -2.129 -37.735 1.00 54.34 H new ATOM 0 HE1 PHE A 15 13.863 -6.469 -36.847 1.00 51.13 H new ATOM 0 HE2 PHE A 15 10.345 -4.142 -37.466 1.00 42.32 H new ATOM 0 HZ PHE A 15 11.412 -6.318 -37.028 1.00 20.03 H new ATOM 220 N GLY A 16 16.397 0.124 -37.788 1.00 4.14 N ATOM 221 CA GLY A 16 16.943 1.465 -37.883 1.00 51.41 C ATOM 222 C GLY A 16 18.388 1.472 -38.339 1.00 44.43 C ATOM 223 O GLY A 16 19.003 0.417 -38.498 1.00 54.22 O ATOM 0 H GLY A 16 16.214 -0.329 -38.684 1.00 4.14 H new ATOM 0 HA2 GLY A 16 16.343 2.050 -38.580 1.00 51.41 H new ATOM 0 HA3 GLY A 16 16.870 1.953 -36.911 1.00 51.41 H new ATOM 227 N LYS A 17 18.934 2.665 -38.553 1.00 21.14 N ATOM 228 CA LYS A 17 20.316 2.806 -38.994 1.00 45.41 C ATOM 229 C LYS A 17 21.283 2.596 -37.833 1.00 33.42 C ATOM 230 O LYS A 17 22.056 3.488 -37.486 1.00 10.44 O ATOM 231 CB LYS A 17 20.538 4.189 -39.611 1.00 14.43 C ATOM 232 CG LYS A 17 20.135 5.334 -38.697 1.00 50.12 C ATOM 233 CD LYS A 17 20.915 6.600 -39.012 1.00 30.40 C ATOM 234 CE LYS A 17 22.379 6.464 -38.621 1.00 34.01 C ATOM 235 NZ LYS A 17 23.026 7.791 -38.427 1.00 61.10 N ATOM 0 H LYS A 17 18.439 3.548 -38.428 1.00 21.14 H new ATOM 0 HA LYS A 17 20.509 2.043 -39.748 1.00 45.41 H new ATOM 0 HB2 LYS A 17 21.591 4.297 -39.872 1.00 14.43 H new ATOM 0 HB3 LYS A 17 19.971 4.259 -40.539 1.00 14.43 H new ATOM 0 HG2 LYS A 17 19.068 5.527 -38.803 1.00 50.12 H new ATOM 0 HG3 LYS A 17 20.306 5.049 -37.659 1.00 50.12 H new ATOM 0 HD2 LYS A 17 20.841 6.819 -40.077 1.00 30.40 H new ATOM 0 HD3 LYS A 17 20.472 7.443 -38.481 1.00 30.40 H new ATOM 0 HE2 LYS A 17 22.457 5.884 -37.702 1.00 34.01 H new ATOM 0 HE3 LYS A 17 22.911 5.910 -39.394 1.00 34.01 H new ATOM 0 HZ1 LYS A 17 24.043 7.715 -38.632 1.00 61.10 H new ATOM 0 HZ2 LYS A 17 22.594 8.485 -39.070 1.00 61.10 H new ATOM 0 HZ3 LYS A 17 22.893 8.101 -37.443 1.00 61.10 H new ATOM 249 N VAL A 18 21.234 1.409 -37.237 1.00 23.55 N ATOM 250 CA VAL A 18 22.107 1.080 -36.116 1.00 23.30 C ATOM 251 C VAL A 18 23.352 0.338 -36.589 1.00 24.23 C ATOM 252 O VAL A 18 23.973 -0.402 -35.825 1.00 52.33 O ATOM 253 CB VAL A 18 21.376 0.218 -35.069 1.00 43.30 C ATOM 254 CG1 VAL A 18 20.170 0.961 -34.514 1.00 62.14 C ATOM 255 CG2 VAL A 18 20.961 -1.115 -35.673 1.00 13.33 C ATOM 0 H VAL A 18 20.599 0.659 -37.511 1.00 23.55 H new ATOM 0 HA VAL A 18 22.402 2.024 -35.657 1.00 23.30 H new ATOM 0 HB VAL A 18 22.061 0.019 -34.244 1.00 43.30 H new ATOM 0 HG11 VAL A 18 19.666 0.337 -33.776 1.00 62.14 H new ATOM 0 HG12 VAL A 18 20.499 1.887 -34.042 1.00 62.14 H new ATOM 0 HG13 VAL A 18 19.480 1.192 -35.326 1.00 62.14 H new ATOM 0 HG21 VAL A 18 20.446 -1.711 -34.920 1.00 13.33 H new ATOM 0 HG22 VAL A 18 20.293 -0.940 -36.516 1.00 13.33 H new ATOM 0 HG23 VAL A 18 21.846 -1.650 -36.016 1.00 13.33 H new ATOM 265 N GLN A 19 23.712 0.541 -37.852 1.00 10.31 N ATOM 266 CA GLN A 19 24.884 -0.109 -38.426 1.00 72.04 C ATOM 267 C GLN A 19 26.168 0.448 -37.820 1.00 55.01 C ATOM 268 O GLN A 19 26.814 -0.205 -37.003 1.00 23.34 O ATOM 269 CB GLN A 19 24.902 0.074 -39.945 1.00 34.11 C ATOM 270 CG GLN A 19 23.708 -0.553 -40.647 1.00 52.43 C ATOM 271 CD GLN A 19 23.614 -0.154 -42.107 1.00 64.30 C ATOM 272 OE1 GLN A 19 24.571 0.365 -42.683 1.00 53.21 O ATOM 273 NE2 GLN A 19 22.459 -0.396 -42.714 1.00 74.42 N ATOM 0 H GLN A 19 23.209 1.150 -38.497 1.00 10.31 H new ATOM 0 HA GLN A 19 24.827 -1.173 -38.195 1.00 72.04 H new ATOM 0 HB2 GLN A 19 24.929 1.139 -40.174 1.00 34.11 H new ATOM 0 HB3 GLN A 19 25.818 -0.362 -40.344 1.00 34.11 H new ATOM 0 HG2 GLN A 19 23.778 -1.638 -40.575 1.00 52.43 H new ATOM 0 HG3 GLN A 19 22.793 -0.257 -40.134 1.00 52.43 H new ATOM 0 HE21 GLN A 19 21.692 -0.828 -42.198 1.00 74.42 H new ATOM 0 HE22 GLN A 19 22.338 -0.150 -43.696 1.00 74.42 H new ATOM 282 N GLY A 20 26.531 1.661 -38.227 1.00 61.53 N ATOM 283 CA GLY A 20 27.737 2.285 -37.714 1.00 74.23 C ATOM 284 C GLY A 20 27.454 3.240 -36.572 1.00 13.11 C ATOM 285 O GLY A 20 27.391 4.454 -36.769 1.00 33.32 O ATOM 0 H GLY A 20 26.012 2.222 -38.902 1.00 61.53 H new ATOM 0 HA2 GLY A 20 28.426 1.512 -37.375 1.00 74.23 H new ATOM 0 HA3 GLY A 20 28.234 2.824 -38.520 1.00 74.23 H new ATOM 289 N VAL A 21 27.281 2.692 -35.373 1.00 51.12 N ATOM 290 CA VAL A 21 27.002 3.504 -34.194 1.00 64.34 C ATOM 291 C VAL A 21 27.348 2.751 -32.915 1.00 33.24 C ATOM 292 O VAL A 21 27.163 1.537 -32.827 1.00 20.33 O ATOM 293 CB VAL A 21 25.523 3.930 -34.143 1.00 61.22 C ATOM 294 CG1 VAL A 21 24.614 2.713 -34.222 1.00 12.01 C ATOM 295 CG2 VAL A 21 25.244 4.734 -32.882 1.00 60.42 C ATOM 0 H VAL A 21 27.329 1.689 -35.193 1.00 51.12 H new ATOM 0 HA VAL A 21 27.626 4.395 -34.268 1.00 64.34 H new ATOM 0 HB VAL A 21 25.315 4.565 -35.004 1.00 61.22 H new ATOM 0 HG11 VAL A 21 23.573 3.033 -34.185 1.00 12.01 H new ATOM 0 HG12 VAL A 21 24.797 2.182 -35.156 1.00 12.01 H new ATOM 0 HG13 VAL A 21 24.820 2.050 -33.382 1.00 12.01 H new ATOM 0 HG21 VAL A 21 24.194 5.027 -32.862 1.00 60.42 H new ATOM 0 HG22 VAL A 21 25.468 4.126 -32.006 1.00 60.42 H new ATOM 0 HG23 VAL A 21 25.870 5.626 -32.873 1.00 60.42 H new ATOM 305 N PHE A 22 27.850 3.479 -31.923 1.00 53.41 N ATOM 306 CA PHE A 22 28.222 2.880 -30.647 1.00 12.53 C ATOM 307 C PHE A 22 27.327 3.395 -29.523 1.00 10.20 C ATOM 308 O PHE A 22 27.807 3.970 -28.546 1.00 20.24 O ATOM 309 CB PHE A 22 29.687 3.182 -30.326 1.00 21.24 C ATOM 310 CG PHE A 22 30.070 4.615 -30.562 1.00 22.21 C ATOM 311 CD1 PHE A 22 30.460 5.043 -31.821 1.00 0.05 C ATOM 312 CD2 PHE A 22 30.041 5.533 -29.525 1.00 11.50 C ATOM 313 CE1 PHE A 22 30.813 6.361 -32.041 1.00 52.15 C ATOM 314 CE2 PHE A 22 30.392 6.853 -29.740 1.00 60.20 C ATOM 315 CZ PHE A 22 30.780 7.267 -30.999 1.00 73.14 C ATOM 0 H PHE A 22 28.009 4.485 -31.979 1.00 53.41 H new ATOM 0 HA PHE A 22 28.090 1.801 -30.728 1.00 12.53 H new ATOM 0 HB2 PHE A 22 29.882 2.929 -29.284 1.00 21.24 H new ATOM 0 HB3 PHE A 22 30.324 2.539 -30.934 1.00 21.24 H new ATOM 0 HD1 PHE A 22 30.488 4.339 -32.639 1.00 0.05 H new ATOM 0 HD2 PHE A 22 29.741 5.214 -28.538 1.00 11.50 H new ATOM 0 HE1 PHE A 22 31.114 6.682 -33.027 1.00 52.15 H new ATOM 0 HE2 PHE A 22 30.363 7.560 -28.924 1.00 60.20 H new ATOM 0 HZ PHE A 22 31.057 8.297 -31.168 1.00 73.14 H new ATOM 325 N PHE A 23 26.023 3.185 -29.670 1.00 10.40 N ATOM 326 CA PHE A 23 25.060 3.629 -28.669 1.00 53.01 C ATOM 327 C PHE A 23 24.741 2.506 -27.686 1.00 53.41 C ATOM 328 O PHE A 23 23.708 2.528 -27.017 1.00 12.15 O ATOM 329 CB PHE A 23 23.774 4.110 -29.346 1.00 4.34 C ATOM 330 CG PHE A 23 22.925 2.994 -29.882 1.00 62.33 C ATOM 331 CD1 PHE A 23 23.252 2.369 -31.075 1.00 30.31 C ATOM 332 CD2 PHE A 23 21.800 2.570 -29.194 1.00 73.44 C ATOM 333 CE1 PHE A 23 22.473 1.341 -31.571 1.00 72.44 C ATOM 334 CE2 PHE A 23 21.017 1.542 -29.686 1.00 21.12 C ATOM 335 CZ PHE A 23 21.353 0.927 -30.876 1.00 43.53 C ATOM 0 H PHE A 23 25.609 2.710 -30.472 1.00 10.40 H new ATOM 0 HA PHE A 23 25.503 4.457 -28.116 1.00 53.01 H new ATOM 0 HB2 PHE A 23 23.190 4.688 -28.630 1.00 4.34 H new ATOM 0 HB3 PHE A 23 24.033 4.783 -30.163 1.00 4.34 H new ATOM 0 HD1 PHE A 23 24.126 2.689 -31.623 1.00 30.31 H new ATOM 0 HD2 PHE A 23 21.532 3.048 -28.263 1.00 73.44 H new ATOM 0 HE1 PHE A 23 22.740 0.862 -32.501 1.00 72.44 H new ATOM 0 HE2 PHE A 23 20.143 1.220 -29.140 1.00 21.12 H new ATOM 0 HZ PHE A 23 20.742 0.125 -31.262 1.00 43.53 H new ATOM 345 N ARG A 24 25.635 1.526 -27.606 1.00 12.51 N ATOM 346 CA ARG A 24 25.449 0.394 -26.707 1.00 14.03 C ATOM 347 C ARG A 24 25.678 0.808 -25.256 1.00 51.11 C ATOM 348 O ARG A 24 25.172 0.173 -24.330 1.00 41.43 O ATOM 349 CB ARG A 24 26.401 -0.743 -27.080 1.00 62.24 C ATOM 350 CG ARG A 24 26.399 -1.077 -28.563 1.00 44.22 C ATOM 351 CD ARG A 24 27.251 -2.301 -28.860 1.00 5.11 C ATOM 352 NE ARG A 24 28.632 -2.128 -28.415 1.00 52.12 N ATOM 353 CZ ARG A 24 29.649 -2.843 -28.882 1.00 44.42 C ATOM 354 NH1 ARG A 24 29.443 -3.773 -29.803 1.00 75.45 N ATOM 355 NH2 ARG A 24 30.877 -2.626 -28.428 1.00 63.50 N ATOM 0 H ARG A 24 26.495 1.493 -28.153 1.00 12.51 H new ATOM 0 HA ARG A 24 24.421 0.046 -26.810 1.00 14.03 H new ATOM 0 HB2 ARG A 24 27.413 -0.472 -26.779 1.00 62.24 H new ATOM 0 HB3 ARG A 24 26.128 -1.634 -26.515 1.00 62.24 H new ATOM 0 HG2 ARG A 24 25.376 -1.255 -28.896 1.00 44.22 H new ATOM 0 HG3 ARG A 24 26.775 -0.225 -29.129 1.00 44.22 H new ATOM 0 HD2 ARG A 24 26.818 -3.172 -28.368 1.00 5.11 H new ATOM 0 HD3 ARG A 24 27.238 -2.501 -29.931 1.00 5.11 H new ATOM 0 HE ARG A 24 28.825 -1.420 -27.707 1.00 52.12 H new ATOM 0 HH11 ARG A 24 28.501 -3.942 -30.156 1.00 75.45 H new ATOM 0 HH12 ARG A 24 30.227 -4.320 -30.159 1.00 75.45 H new ATOM 0 HH21 ARG A 24 31.040 -1.910 -27.720 1.00 63.50 H new ATOM 0 HH22 ARG A 24 31.658 -3.175 -28.787 1.00 63.50 H new ATOM 369 N LYS A 25 26.444 1.877 -25.065 1.00 64.44 N ATOM 370 CA LYS A 25 26.741 2.377 -23.729 1.00 1.25 C ATOM 371 C LYS A 25 25.581 3.208 -23.189 1.00 23.23 C ATOM 372 O LYS A 25 25.414 3.345 -21.976 1.00 62.13 O ATOM 373 CB LYS A 25 28.019 3.219 -23.749 1.00 21.12 C ATOM 374 CG LYS A 25 28.394 3.787 -22.391 1.00 45.53 C ATOM 375 CD LYS A 25 27.946 5.232 -22.249 1.00 2.34 C ATOM 376 CE LYS A 25 28.872 6.015 -21.330 1.00 31.01 C ATOM 377 NZ LYS A 25 28.451 7.438 -21.200 1.00 23.54 N ATOM 0 H LYS A 25 26.871 2.414 -25.820 1.00 64.44 H new ATOM 0 HA LYS A 25 26.888 1.520 -23.072 1.00 1.25 H new ATOM 0 HB2 LYS A 25 28.842 2.606 -24.117 1.00 21.12 H new ATOM 0 HB3 LYS A 25 27.892 4.040 -24.455 1.00 21.12 H new ATOM 0 HG2 LYS A 25 27.938 3.185 -21.605 1.00 45.53 H new ATOM 0 HG3 LYS A 25 29.474 3.725 -22.255 1.00 45.53 H new ATOM 0 HD2 LYS A 25 27.921 5.705 -23.231 1.00 2.34 H new ATOM 0 HD3 LYS A 25 26.930 5.262 -21.855 1.00 2.34 H new ATOM 0 HE2 LYS A 25 28.885 5.549 -20.345 1.00 31.01 H new ATOM 0 HE3 LYS A 25 29.890 5.971 -21.717 1.00 31.01 H new ATOM 0 HZ1 LYS A 25 29.107 7.938 -20.566 1.00 23.54 H new ATOM 0 HZ2 LYS A 25 28.463 7.890 -22.136 1.00 23.54 H new ATOM 0 HZ3 LYS A 25 27.489 7.481 -20.807 1.00 23.54 H new ATOM 391 N HIS A 26 24.781 3.759 -24.096 1.00 4.30 N ATOM 392 CA HIS A 26 23.635 4.575 -23.710 1.00 64.11 C ATOM 393 C HIS A 26 22.405 3.705 -23.470 1.00 63.45 C ATOM 394 O HIS A 26 21.592 3.988 -22.590 1.00 4.21 O ATOM 395 CB HIS A 26 23.336 5.615 -24.790 1.00 42.00 C ATOM 396 CG HIS A 26 22.695 6.861 -24.261 1.00 32.44 C ATOM 397 ND1 HIS A 26 21.968 7.727 -25.050 1.00 32.42 N ATOM 398 CD2 HIS A 26 22.673 7.383 -23.012 1.00 52.22 C ATOM 399 CE1 HIS A 26 21.528 8.729 -24.310 1.00 71.11 C ATOM 400 NE2 HIS A 26 21.942 8.544 -23.069 1.00 54.15 N ATOM 0 H HIS A 26 24.905 3.655 -25.103 1.00 4.30 H new ATOM 0 HA HIS A 26 23.882 5.088 -22.781 1.00 64.11 H new ATOM 0 HB2 HIS A 26 24.265 5.880 -25.294 1.00 42.00 H new ATOM 0 HB3 HIS A 26 22.682 5.170 -25.540 1.00 42.00 H new ATOM 0 HD2 HIS A 26 23.143 6.964 -22.134 1.00 52.22 H new ATOM 0 HE1 HIS A 26 20.931 9.558 -24.660 1.00 71.11 H new ATOM 0 HE2 HIS A 26 21.750 9.163 -22.281 1.00 54.15 H new ATOM 408 N THR A 27 22.274 2.643 -24.261 1.00 11.54 N ATOM 409 CA THR A 27 21.143 1.733 -24.136 1.00 14.21 C ATOM 410 C THR A 27 21.265 0.872 -22.884 1.00 0.21 C ATOM 411 O THR A 27 20.261 0.471 -22.296 1.00 3.14 O ATOM 412 CB THR A 27 21.022 0.815 -25.367 1.00 10.12 C ATOM 413 OG1 THR A 27 19.795 0.080 -25.311 1.00 74.40 O ATOM 414 CG2 THR A 27 22.195 -0.151 -25.438 1.00 50.14 C ATOM 0 H THR A 27 22.938 2.393 -24.994 1.00 11.54 H new ATOM 0 HA THR A 27 20.248 2.350 -24.063 1.00 14.21 H new ATOM 0 HB THR A 27 21.031 1.439 -26.261 1.00 10.12 H new ATOM 0 HG1 THR A 27 19.725 -0.500 -26.098 1.00 74.40 H new ATOM 0 HG21 THR A 27 22.088 -0.789 -26.315 1.00 50.14 H new ATOM 0 HG22 THR A 27 23.126 0.412 -25.510 1.00 50.14 H new ATOM 0 HG23 THR A 27 22.213 -0.769 -24.540 1.00 50.14 H new ATOM 422 N GLN A 28 22.501 0.593 -22.482 1.00 73.31 N ATOM 423 CA GLN A 28 22.753 -0.221 -21.299 1.00 31.31 C ATOM 424 C GLN A 28 22.587 0.602 -20.026 1.00 52.21 C ATOM 425 O GLN A 28 22.213 0.075 -18.979 1.00 3.24 O ATOM 426 CB GLN A 28 24.161 -0.817 -21.355 1.00 34.43 C ATOM 427 CG GLN A 28 25.261 0.194 -21.077 1.00 30.12 C ATOM 428 CD GLN A 28 25.598 0.300 -19.602 1.00 75.25 C ATOM 429 OE1 GLN A 28 25.589 -0.696 -18.879 1.00 33.43 O ATOM 430 NE2 GLN A 28 25.897 1.511 -19.149 1.00 10.42 N ATOM 0 H GLN A 28 23.343 0.918 -22.958 1.00 73.31 H new ATOM 0 HA GLN A 28 22.023 -1.031 -21.284 1.00 31.31 H new ATOM 0 HB2 GLN A 28 24.232 -1.628 -20.630 1.00 34.43 H new ATOM 0 HB3 GLN A 28 24.322 -1.255 -22.340 1.00 34.43 H new ATOM 0 HG2 GLN A 28 26.156 -0.088 -21.631 1.00 30.12 H new ATOM 0 HG3 GLN A 28 24.952 1.172 -21.446 1.00 30.12 H new ATOM 0 HE21 GLN A 28 25.892 2.309 -19.784 1.00 10.42 H new ATOM 0 HE22 GLN A 28 26.132 1.644 -18.165 1.00 10.42 H new ATOM 439 N ALA A 29 22.867 1.898 -20.124 1.00 61.44 N ATOM 440 CA ALA A 29 22.747 2.794 -18.981 1.00 41.15 C ATOM 441 C ALA A 29 21.284 3.035 -18.624 1.00 3.10 C ATOM 442 O ALA A 29 20.928 3.111 -17.449 1.00 21.53 O ATOM 443 CB ALA A 29 23.446 4.114 -19.270 1.00 41.35 C ATOM 0 H ALA A 29 23.178 2.350 -20.984 1.00 61.44 H new ATOM 0 HA ALA A 29 23.229 2.320 -18.126 1.00 41.15 H new ATOM 0 HB1 ALA A 29 23.348 4.774 -18.408 1.00 41.35 H new ATOM 0 HB2 ALA A 29 24.502 3.931 -19.469 1.00 41.35 H new ATOM 0 HB3 ALA A 29 22.989 4.585 -20.141 1.00 41.35 H new ATOM 449 N GLU A 30 20.442 3.156 -19.646 1.00 23.44 N ATOM 450 CA GLU A 30 19.018 3.390 -19.437 1.00 62.23 C ATOM 451 C GLU A 30 18.408 2.294 -18.568 1.00 1.23 C ATOM 452 O GLU A 30 17.619 2.570 -17.665 1.00 52.14 O ATOM 453 CB GLU A 30 18.288 3.456 -20.780 1.00 52.22 C ATOM 454 CG GLU A 30 17.756 4.839 -21.116 1.00 42.42 C ATOM 455 CD GLU A 30 18.858 5.875 -21.235 1.00 34.24 C ATOM 456 OE1 GLU A 30 19.405 6.035 -22.345 1.00 63.02 O ATOM 457 OE2 GLU A 30 19.171 6.525 -20.216 1.00 4.34 O ATOM 0 H GLU A 30 20.721 3.096 -20.625 1.00 23.44 H new ATOM 0 HA GLU A 30 18.904 4.344 -18.922 1.00 62.23 H new ATOM 0 HB2 GLU A 30 18.968 3.136 -21.570 1.00 52.22 H new ATOM 0 HB3 GLU A 30 17.458 2.750 -20.768 1.00 52.22 H new ATOM 0 HG2 GLU A 30 17.203 4.793 -22.054 1.00 42.42 H new ATOM 0 HG3 GLU A 30 17.051 5.150 -20.345 1.00 42.42 H new ATOM 464 N GLY A 31 18.780 1.049 -18.847 1.00 63.44 N ATOM 465 CA GLY A 31 18.260 -0.070 -18.083 1.00 64.23 C ATOM 466 C GLY A 31 18.633 0.007 -16.616 1.00 21.30 C ATOM 467 O GLY A 31 17.884 -0.450 -15.752 1.00 70.13 O ATOM 0 H GLY A 31 19.432 0.795 -19.589 1.00 63.44 H new ATOM 0 HA2 GLY A 31 17.174 -0.098 -18.178 1.00 64.23 H new ATOM 0 HA3 GLY A 31 18.640 -1.001 -18.503 1.00 64.23 H new ATOM 471 N LYS A 32 19.795 0.585 -16.332 1.00 22.11 N ATOM 472 CA LYS A 32 20.268 0.720 -14.959 1.00 54.31 C ATOM 473 C LYS A 32 19.403 1.707 -14.181 1.00 40.21 C ATOM 474 O LYS A 32 19.297 1.625 -12.957 1.00 74.13 O ATOM 475 CB LYS A 32 21.727 1.181 -14.943 1.00 53.43 C ATOM 476 CG LYS A 32 22.668 0.248 -15.685 1.00 32.34 C ATOM 477 CD LYS A 32 22.995 -0.985 -14.859 1.00 74.41 C ATOM 478 CE LYS A 32 24.259 -1.670 -15.356 1.00 54.03 C ATOM 479 NZ LYS A 32 25.468 -0.831 -15.133 1.00 25.04 N ATOM 0 H LYS A 32 20.427 0.968 -17.035 1.00 22.11 H new ATOM 0 HA LYS A 32 20.197 -0.256 -14.479 1.00 54.31 H new ATOM 0 HB2 LYS A 32 21.790 2.175 -15.386 1.00 53.43 H new ATOM 0 HB3 LYS A 32 22.059 1.271 -13.909 1.00 53.43 H new ATOM 0 HG2 LYS A 32 22.213 -0.055 -16.628 1.00 32.34 H new ATOM 0 HG3 LYS A 32 23.589 0.778 -15.930 1.00 32.34 H new ATOM 0 HD2 LYS A 32 23.120 -0.701 -13.814 1.00 74.41 H new ATOM 0 HD3 LYS A 32 22.160 -1.685 -14.901 1.00 74.41 H new ATOM 0 HE2 LYS A 32 24.380 -2.625 -14.844 1.00 54.03 H new ATOM 0 HE3 LYS A 32 24.160 -1.889 -16.419 1.00 54.03 H new ATOM 0 HZ1 LYS A 32 26.312 -1.438 -15.109 1.00 25.04 H new ATOM 0 HZ2 LYS A 32 25.560 -0.142 -15.906 1.00 25.04 H new ATOM 0 HZ3 LYS A 32 25.378 -0.326 -14.228 1.00 25.04 H new ATOM 493 N LYS A 33 18.786 2.640 -14.899 1.00 33.43 N ATOM 494 CA LYS A 33 17.928 3.641 -14.277 1.00 13.21 C ATOM 495 C LYS A 33 16.702 2.990 -13.644 1.00 51.32 C ATOM 496 O LYS A 33 16.337 3.301 -12.509 1.00 43.24 O ATOM 497 CB LYS A 33 17.490 4.680 -15.311 1.00 52.53 C ATOM 498 CG LYS A 33 17.212 6.051 -14.717 1.00 64.51 C ATOM 499 CD LYS A 33 18.469 6.667 -14.125 1.00 61.44 C ATOM 500 CE LYS A 33 18.370 8.183 -14.063 1.00 1.14 C ATOM 501 NZ LYS A 33 18.799 8.820 -15.339 1.00 14.24 N ATOM 0 H LYS A 33 18.865 2.723 -15.913 1.00 33.43 H new ATOM 0 HA LYS A 33 18.500 4.136 -13.492 1.00 13.21 H new ATOM 0 HB2 LYS A 33 18.266 4.773 -16.071 1.00 52.53 H new ATOM 0 HB3 LYS A 33 16.592 4.323 -15.815 1.00 52.53 H new ATOM 0 HG2 LYS A 33 16.812 6.709 -15.489 1.00 64.51 H new ATOM 0 HG3 LYS A 33 16.448 5.966 -13.944 1.00 64.51 H new ATOM 0 HD2 LYS A 33 18.633 6.271 -13.123 1.00 61.44 H new ATOM 0 HD3 LYS A 33 19.333 6.382 -14.725 1.00 61.44 H new ATOM 0 HE2 LYS A 33 17.342 8.471 -13.841 1.00 1.14 H new ATOM 0 HE3 LYS A 33 18.989 8.554 -13.246 1.00 1.14 H new ATOM 0 HZ1 LYS A 33 18.717 9.853 -15.256 1.00 14.24 H new ATOM 0 HZ2 LYS A 33 19.788 8.566 -15.538 1.00 14.24 H new ATOM 0 HZ3 LYS A 33 18.193 8.486 -16.115 1.00 14.24 H new ATOM 515 N LEU A 34 16.070 2.085 -14.384 1.00 4.24 N ATOM 516 CA LEU A 34 14.886 1.389 -13.894 1.00 73.20 C ATOM 517 C LEU A 34 15.275 0.181 -13.047 1.00 40.24 C ATOM 518 O LEU A 34 14.800 0.018 -11.924 1.00 51.44 O ATOM 519 CB LEU A 34 14.011 0.943 -15.067 1.00 11.00 C ATOM 520 CG LEU A 34 13.537 2.050 -16.010 1.00 24.22 C ATOM 521 CD1 LEU A 34 14.550 2.273 -17.122 1.00 42.01 C ATOM 522 CD2 LEU A 34 12.172 1.709 -16.589 1.00 63.25 C ATOM 0 H LEU A 34 16.358 1.817 -15.325 1.00 4.24 H new ATOM 0 HA LEU A 34 14.321 2.081 -13.269 1.00 73.20 H new ATOM 0 HB2 LEU A 34 14.567 0.209 -15.651 1.00 11.00 H new ATOM 0 HB3 LEU A 34 13.134 0.434 -14.667 1.00 11.00 H new ATOM 0 HG LEU A 34 13.446 2.974 -15.439 1.00 24.22 H new ATOM 0 HD11 LEU A 34 14.196 3.064 -17.783 1.00 42.01 H new ATOM 0 HD12 LEU A 34 15.507 2.563 -16.689 1.00 42.01 H new ATOM 0 HD13 LEU A 34 14.674 1.352 -17.692 1.00 42.01 H new ATOM 0 HD21 LEU A 34 11.851 2.508 -17.258 1.00 63.25 H new ATOM 0 HD22 LEU A 34 12.236 0.774 -17.145 1.00 63.25 H new ATOM 0 HD23 LEU A 34 11.450 1.601 -15.780 1.00 63.25 H new ATOM 534 N GLY A 35 16.145 -0.663 -13.594 1.00 1.20 N ATOM 535 CA GLY A 35 16.585 -1.844 -12.874 1.00 45.44 C ATOM 536 C GLY A 35 16.441 -3.110 -13.695 1.00 3.11 C ATOM 537 O GLY A 35 15.976 -4.134 -13.193 1.00 71.23 O ATOM 0 H GLY A 35 16.553 -0.550 -14.522 1.00 1.20 H new ATOM 0 HA2 GLY A 35 17.628 -1.720 -12.582 1.00 45.44 H new ATOM 0 HA3 GLY A 35 16.007 -1.942 -11.955 1.00 45.44 H new ATOM 541 N LEU A 36 16.839 -3.041 -14.960 1.00 64.44 N ATOM 542 CA LEU A 36 16.751 -4.191 -15.854 1.00 31.44 C ATOM 543 C LEU A 36 18.140 -4.667 -16.268 1.00 74.12 C ATOM 544 O LEU A 36 19.117 -3.926 -16.167 1.00 42.44 O ATOM 545 CB LEU A 36 15.930 -3.836 -17.094 1.00 74.33 C ATOM 546 CG LEU A 36 14.607 -3.113 -16.839 1.00 52.11 C ATOM 547 CD1 LEU A 36 13.953 -2.717 -18.154 1.00 34.13 C ATOM 548 CD2 LEU A 36 13.671 -3.987 -16.017 1.00 73.25 C ATOM 0 H LEU A 36 17.226 -2.201 -15.390 1.00 64.44 H new ATOM 0 HA LEU A 36 16.255 -5.000 -15.317 1.00 31.44 H new ATOM 0 HB2 LEU A 36 16.543 -3.212 -17.744 1.00 74.33 H new ATOM 0 HB3 LEU A 36 15.719 -4.755 -17.641 1.00 74.33 H new ATOM 0 HG LEU A 36 14.814 -2.205 -16.272 1.00 52.11 H new ATOM 0 HD11 LEU A 36 13.013 -2.204 -17.953 1.00 34.13 H new ATOM 0 HD12 LEU A 36 14.618 -2.053 -18.706 1.00 34.13 H new ATOM 0 HD13 LEU A 36 13.759 -3.610 -18.747 1.00 34.13 H new ATOM 0 HD21 LEU A 36 12.735 -3.456 -15.845 1.00 73.25 H new ATOM 0 HD22 LEU A 36 13.470 -4.913 -16.557 1.00 73.25 H new ATOM 0 HD23 LEU A 36 14.137 -4.219 -15.059 1.00 73.25 H new ATOM 560 N VAL A 37 18.219 -5.908 -16.737 1.00 31.40 N ATOM 561 CA VAL A 37 19.487 -6.482 -17.170 1.00 61.44 C ATOM 562 C VAL A 37 19.374 -7.068 -18.574 1.00 5.24 C ATOM 563 O VAL A 37 18.329 -6.972 -19.216 1.00 4.34 O ATOM 564 CB VAL A 37 19.965 -7.583 -16.204 1.00 13.51 C ATOM 565 CG1 VAL A 37 20.223 -7.004 -14.821 1.00 54.42 C ATOM 566 CG2 VAL A 37 18.947 -8.711 -16.137 1.00 71.11 C ATOM 0 H VAL A 37 17.420 -6.535 -16.827 1.00 31.40 H new ATOM 0 HA VAL A 37 20.216 -5.671 -17.174 1.00 61.44 H new ATOM 0 HB VAL A 37 20.902 -7.992 -16.581 1.00 13.51 H new ATOM 0 HG11 VAL A 37 20.560 -7.796 -14.152 1.00 54.42 H new ATOM 0 HG12 VAL A 37 20.991 -6.233 -14.887 1.00 54.42 H new ATOM 0 HG13 VAL A 37 19.303 -6.567 -14.432 1.00 54.42 H new ATOM 0 HG21 VAL A 37 19.301 -9.480 -15.450 1.00 71.11 H new ATOM 0 HG22 VAL A 37 17.993 -8.320 -15.784 1.00 71.11 H new ATOM 0 HG23 VAL A 37 18.817 -9.143 -17.129 1.00 71.11 H new ATOM 576 N GLY A 38 20.459 -7.676 -19.044 1.00 43.23 N ATOM 577 CA GLY A 38 20.461 -8.269 -20.369 1.00 5.41 C ATOM 578 C GLY A 38 21.778 -8.067 -21.092 1.00 42.22 C ATOM 579 O GLY A 38 22.846 -8.140 -20.484 1.00 13.34 O ATOM 0 H GLY A 38 21.336 -7.769 -18.531 1.00 43.23 H new ATOM 0 HA2 GLY A 38 20.255 -9.336 -20.286 1.00 5.41 H new ATOM 0 HA3 GLY A 38 19.655 -7.834 -20.960 1.00 5.41 H new ATOM 583 N TRP A 39 21.703 -7.814 -22.394 1.00 23.12 N ATOM 584 CA TRP A 39 22.900 -7.603 -23.201 1.00 75.02 C ATOM 585 C TRP A 39 22.564 -6.850 -24.484 1.00 65.31 C ATOM 586 O TRP A 39 21.443 -6.928 -24.986 1.00 62.24 O ATOM 587 CB TRP A 39 23.555 -8.943 -23.538 1.00 65.10 C ATOM 588 CG TRP A 39 22.777 -9.753 -24.530 1.00 53.00 C ATOM 589 CD1 TRP A 39 22.778 -9.608 -25.888 1.00 3.10 C ATOM 590 CD2 TRP A 39 21.881 -10.832 -24.241 1.00 3.02 C ATOM 591 NE1 TRP A 39 21.938 -10.532 -26.460 1.00 54.24 N ATOM 592 CE2 TRP A 39 21.376 -11.295 -25.471 1.00 71.25 C ATOM 593 CE3 TRP A 39 21.459 -11.453 -23.063 1.00 33.43 C ATOM 594 CZ2 TRP A 39 20.470 -12.349 -25.554 1.00 52.04 C ATOM 595 CZ3 TRP A 39 20.559 -12.499 -23.147 1.00 1.13 C ATOM 596 CH2 TRP A 39 20.073 -12.939 -24.385 1.00 41.21 C ATOM 0 H TRP A 39 20.827 -7.750 -22.913 1.00 23.12 H new ATOM 0 HA TRP A 39 23.599 -7.001 -22.620 1.00 75.02 H new ATOM 0 HB2 TRP A 39 24.555 -8.761 -23.933 1.00 65.10 H new ATOM 0 HB3 TRP A 39 23.674 -9.521 -22.622 1.00 65.10 H new ATOM 0 HD1 TRP A 39 23.355 -8.875 -26.432 1.00 3.10 H new ATOM 0 HE1 TRP A 39 21.761 -10.634 -27.459 1.00 54.24 H new ATOM 0 HE3 TRP A 39 21.829 -11.122 -22.104 1.00 33.43 H new ATOM 0 HZ2 TRP A 39 20.094 -12.689 -26.508 1.00 52.04 H new ATOM 0 HZ3 TRP A 39 20.225 -12.985 -22.242 1.00 1.13 H new ATOM 0 HH2 TRP A 39 19.372 -13.760 -24.417 1.00 41.21 H new ATOM 607 N VAL A 40 23.544 -6.121 -25.011 1.00 34.54 N ATOM 608 CA VAL A 40 23.352 -5.356 -26.236 1.00 43.44 C ATOM 609 C VAL A 40 24.473 -5.625 -27.234 1.00 24.54 C ATOM 610 O VAL A 40 25.631 -5.287 -26.987 1.00 73.01 O ATOM 611 CB VAL A 40 23.288 -3.844 -25.949 1.00 43.33 C ATOM 612 CG1 VAL A 40 22.981 -3.071 -27.223 1.00 10.22 C ATOM 613 CG2 VAL A 40 22.253 -3.549 -24.874 1.00 62.32 C ATOM 0 H VAL A 40 24.478 -6.045 -24.608 1.00 34.54 H new ATOM 0 HA VAL A 40 22.403 -5.678 -26.664 1.00 43.44 H new ATOM 0 HB VAL A 40 24.262 -3.520 -25.582 1.00 43.33 H new ATOM 0 HG11 VAL A 40 22.940 -2.005 -27.001 1.00 10.22 H new ATOM 0 HG12 VAL A 40 23.763 -3.258 -27.959 1.00 10.22 H new ATOM 0 HG13 VAL A 40 22.020 -3.396 -27.623 1.00 10.22 H new ATOM 0 HG21 VAL A 40 22.221 -2.476 -24.684 1.00 62.32 H new ATOM 0 HG22 VAL A 40 21.273 -3.887 -25.210 1.00 62.32 H new ATOM 0 HG23 VAL A 40 22.522 -4.072 -23.956 1.00 62.32 H new ATOM 623 N GLN A 41 24.121 -6.236 -28.360 1.00 65.43 N ATOM 624 CA GLN A 41 25.099 -6.552 -29.395 1.00 50.22 C ATOM 625 C GLN A 41 24.805 -5.778 -30.676 1.00 12.21 C ATOM 626 O GLN A 41 23.895 -4.951 -30.718 1.00 34.32 O ATOM 627 CB GLN A 41 25.102 -8.054 -29.683 1.00 21.25 C ATOM 628 CG GLN A 41 23.760 -8.585 -30.159 1.00 72.23 C ATOM 629 CD GLN A 41 23.616 -10.080 -29.950 1.00 13.32 C ATOM 630 OE1 GLN A 41 23.285 -10.819 -30.877 1.00 75.11 O ATOM 631 NE2 GLN A 41 23.864 -10.533 -28.727 1.00 25.12 N ATOM 0 H GLN A 41 23.167 -6.522 -28.579 1.00 65.43 H new ATOM 0 HA GLN A 41 26.083 -6.257 -29.031 1.00 50.22 H new ATOM 0 HB2 GLN A 41 25.857 -8.269 -30.439 1.00 21.25 H new ATOM 0 HB3 GLN A 41 25.395 -8.588 -28.779 1.00 21.25 H new ATOM 0 HG2 GLN A 41 22.960 -8.069 -29.628 1.00 72.23 H new ATOM 0 HG3 GLN A 41 23.638 -8.357 -31.218 1.00 72.23 H new ATOM 0 HE21 GLN A 41 24.136 -9.884 -27.988 1.00 25.12 H new ATOM 0 HE22 GLN A 41 23.783 -11.530 -28.526 1.00 25.12 H new ATOM 640 N ASN A 42 25.582 -6.051 -31.719 1.00 21.53 N ATOM 641 CA ASN A 42 25.405 -5.380 -33.001 1.00 43.30 C ATOM 642 C ASN A 42 25.542 -6.367 -34.156 1.00 24.21 C ATOM 643 O ASN A 42 26.558 -7.051 -34.286 1.00 62.30 O ATOM 644 CB ASN A 42 26.428 -4.252 -33.155 1.00 61.31 C ATOM 645 CG ASN A 42 27.846 -4.773 -33.291 1.00 50.44 C ATOM 646 OD1 ASN A 42 28.472 -4.632 -34.342 1.00 4.22 O ATOM 647 ND2 ASN A 42 28.359 -5.378 -32.227 1.00 33.24 N ATOM 0 H ASN A 42 26.341 -6.733 -31.701 1.00 21.53 H new ATOM 0 HA ASN A 42 24.401 -4.957 -33.026 1.00 43.30 H new ATOM 0 HB2 ASN A 42 26.177 -3.655 -34.032 1.00 61.31 H new ATOM 0 HB3 ASN A 42 26.368 -3.590 -32.291 1.00 61.31 H new ATOM 0 HD21 ASN A 42 29.309 -5.749 -32.260 1.00 33.24 H new ATOM 0 HD22 ASN A 42 27.804 -5.472 -31.377 1.00 33.24 H new ATOM 654 N THR A 43 24.513 -6.436 -34.994 1.00 74.10 N ATOM 655 CA THR A 43 24.517 -7.339 -36.138 1.00 22.53 C ATOM 656 C THR A 43 25.176 -6.689 -37.349 1.00 75.42 C ATOM 657 O THR A 43 25.233 -5.464 -37.453 1.00 60.04 O ATOM 658 CB THR A 43 23.089 -7.774 -36.516 1.00 33.43 C ATOM 659 OG1 THR A 43 22.395 -6.688 -37.140 1.00 60.42 O ATOM 660 CG2 THR A 43 22.320 -8.234 -35.286 1.00 53.22 C ATOM 0 H THR A 43 23.665 -5.877 -34.902 1.00 74.10 H new ATOM 0 HA THR A 43 25.090 -8.218 -35.844 1.00 22.53 H new ATOM 0 HB THR A 43 23.160 -8.608 -37.214 1.00 33.43 H new ATOM 0 HG1 THR A 43 21.459 -6.687 -36.849 1.00 60.42 H new ATOM 0 HG21 THR A 43 21.314 -8.536 -35.578 1.00 53.22 H new ATOM 0 HG22 THR A 43 22.835 -9.079 -34.830 1.00 53.22 H new ATOM 0 HG23 THR A 43 22.259 -7.416 -34.568 1.00 53.22 H new ATOM 668 N ASP A 44 25.670 -7.517 -38.263 1.00 24.12 N ATOM 669 CA ASP A 44 26.324 -7.022 -39.469 1.00 74.20 C ATOM 670 C ASP A 44 25.295 -6.509 -40.472 1.00 44.51 C ATOM 671 O ASP A 44 25.578 -5.603 -41.257 1.00 11.13 O ATOM 672 CB ASP A 44 27.169 -8.126 -40.106 1.00 71.14 C ATOM 673 CG ASP A 44 27.890 -7.656 -41.355 1.00 14.35 C ATOM 674 OD1 ASP A 44 28.772 -6.780 -41.235 1.00 73.23 O ATOM 675 OD2 ASP A 44 27.571 -8.163 -42.451 1.00 11.43 O ATOM 0 H ASP A 44 25.630 -8.534 -38.192 1.00 24.12 H new ATOM 0 HA ASP A 44 26.975 -6.194 -39.187 1.00 74.20 H new ATOM 0 HB2 ASP A 44 27.900 -8.484 -39.381 1.00 71.14 H new ATOM 0 HB3 ASP A 44 26.528 -8.971 -40.356 1.00 71.14 H new ATOM 680 N ARG A 45 24.103 -7.094 -40.441 1.00 55.41 N ATOM 681 CA ARG A 45 23.033 -6.697 -41.349 1.00 1.40 C ATOM 682 C ARG A 45 22.640 -5.240 -41.122 1.00 41.21 C ATOM 683 O ARG A 45 22.475 -4.475 -42.072 1.00 21.51 O ATOM 684 CB ARG A 45 21.813 -7.600 -41.160 1.00 63.33 C ATOM 685 CG ARG A 45 22.029 -9.024 -41.648 1.00 55.32 C ATOM 686 CD ARG A 45 21.939 -9.113 -43.164 1.00 3.44 C ATOM 687 NE ARG A 45 21.699 -10.479 -43.618 1.00 61.55 N ATOM 688 CZ ARG A 45 20.515 -11.077 -43.556 1.00 35.43 C ATOM 689 NH1 ARG A 45 19.468 -10.432 -43.060 1.00 52.12 N ATOM 690 NH2 ARG A 45 20.375 -12.324 -43.990 1.00 2.52 N ATOM 0 H ARG A 45 23.853 -7.845 -39.797 1.00 55.41 H new ATOM 0 HA ARG A 45 23.400 -6.802 -42.370 1.00 1.40 H new ATOM 0 HB2 ARG A 45 21.549 -7.623 -40.103 1.00 63.33 H new ATOM 0 HB3 ARG A 45 20.965 -7.167 -41.691 1.00 63.33 H new ATOM 0 HG2 ARG A 45 23.006 -9.378 -41.319 1.00 55.32 H new ATOM 0 HG3 ARG A 45 21.284 -9.681 -41.199 1.00 55.32 H new ATOM 0 HD2 ARG A 45 21.136 -8.467 -43.518 1.00 3.44 H new ATOM 0 HD3 ARG A 45 22.864 -8.742 -43.605 1.00 3.44 H new ATOM 0 HE ARG A 45 22.484 -11.003 -44.004 1.00 61.55 H new ATOM 0 HH11 ARG A 45 19.571 -9.474 -42.725 1.00 52.12 H new ATOM 0 HH12 ARG A 45 18.560 -10.894 -43.014 1.00 52.12 H new ATOM 0 HH21 ARG A 45 21.178 -12.824 -44.372 1.00 2.52 H new ATOM 0 HH22 ARG A 45 19.465 -12.782 -43.942 1.00 2.52 H new ATOM 704 N GLY A 46 22.491 -4.862 -39.856 1.00 22.42 N ATOM 705 CA GLY A 46 22.118 -3.499 -39.527 1.00 22.11 C ATOM 706 C GLY A 46 21.025 -3.434 -38.479 1.00 54.13 C ATOM 707 O GLY A 46 20.070 -2.667 -38.613 1.00 4.21 O ATOM 0 H GLY A 46 22.622 -5.476 -39.052 1.00 22.42 H new ATOM 0 HA2 GLY A 46 22.996 -2.963 -39.166 1.00 22.11 H new ATOM 0 HA3 GLY A 46 21.782 -2.989 -40.430 1.00 22.11 H new ATOM 711 N THR A 47 21.161 -4.242 -37.433 1.00 32.24 N ATOM 712 CA THR A 47 20.175 -4.276 -36.359 1.00 44.53 C ATOM 713 C THR A 47 20.848 -4.427 -35.000 1.00 21.11 C ATOM 714 O THR A 47 22.042 -4.713 -34.915 1.00 65.34 O ATOM 715 CB THR A 47 19.171 -5.427 -36.554 1.00 24.40 C ATOM 716 OG1 THR A 47 19.801 -6.515 -37.241 1.00 32.04 O ATOM 717 CG2 THR A 47 17.957 -4.959 -37.341 1.00 34.32 C ATOM 0 H THR A 47 21.945 -4.882 -37.306 1.00 32.24 H new ATOM 0 HA THR A 47 19.639 -3.328 -36.392 1.00 44.53 H new ATOM 0 HB THR A 47 18.840 -5.761 -35.571 1.00 24.40 H new ATOM 0 HG1 THR A 47 19.157 -7.244 -37.360 1.00 32.04 H new ATOM 0 HG21 THR A 47 17.262 -5.789 -37.466 1.00 34.32 H new ATOM 0 HG22 THR A 47 17.463 -4.151 -36.802 1.00 34.32 H new ATOM 0 HG23 THR A 47 18.274 -4.601 -38.320 1.00 34.32 H new ATOM 725 N VAL A 48 20.074 -4.234 -33.937 1.00 32.23 N ATOM 726 CA VAL A 48 20.595 -4.351 -32.580 1.00 72.41 C ATOM 727 C VAL A 48 19.781 -5.348 -31.763 1.00 34.21 C ATOM 728 O VAL A 48 18.666 -5.050 -31.335 1.00 20.12 O ATOM 729 CB VAL A 48 20.593 -2.990 -31.859 1.00 25.53 C ATOM 730 CG1 VAL A 48 21.103 -3.141 -30.433 1.00 54.03 C ATOM 731 CG2 VAL A 48 21.430 -1.979 -32.628 1.00 74.23 C ATOM 0 H VAL A 48 19.084 -3.996 -33.989 1.00 32.23 H new ATOM 0 HA VAL A 48 21.622 -4.707 -32.665 1.00 72.41 H new ATOM 0 HB VAL A 48 19.568 -2.622 -31.817 1.00 25.53 H new ATOM 0 HG11 VAL A 48 21.095 -2.169 -29.939 1.00 54.03 H new ATOM 0 HG12 VAL A 48 20.459 -3.831 -29.888 1.00 54.03 H new ATOM 0 HG13 VAL A 48 22.121 -3.531 -30.450 1.00 54.03 H new ATOM 0 HG21 VAL A 48 21.418 -1.023 -32.104 1.00 74.23 H new ATOM 0 HG22 VAL A 48 22.456 -2.338 -32.703 1.00 74.23 H new ATOM 0 HG23 VAL A 48 21.017 -1.850 -33.628 1.00 74.23 H new ATOM 741 N GLN A 49 20.346 -6.532 -31.550 1.00 72.23 N ATOM 742 CA GLN A 49 19.671 -7.573 -30.784 1.00 64.51 C ATOM 743 C GLN A 49 19.766 -7.296 -29.287 1.00 43.15 C ATOM 744 O GLN A 49 20.748 -7.658 -28.640 1.00 12.52 O ATOM 745 CB GLN A 49 20.277 -8.942 -31.100 1.00 60.14 C ATOM 746 CG GLN A 49 19.836 -9.507 -32.441 1.00 65.11 C ATOM 747 CD GLN A 49 20.590 -10.767 -32.820 1.00 1.15 C ATOM 748 OE1 GLN A 49 21.006 -11.539 -31.955 1.00 3.51 O ATOM 749 NE2 GLN A 49 20.770 -10.982 -34.117 1.00 71.25 N ATOM 0 H GLN A 49 21.269 -6.794 -31.897 1.00 72.23 H new ATOM 0 HA GLN A 49 18.619 -7.574 -31.069 1.00 64.51 H new ATOM 0 HB2 GLN A 49 21.364 -8.860 -31.089 1.00 60.14 H new ATOM 0 HB3 GLN A 49 20.002 -9.643 -30.312 1.00 60.14 H new ATOM 0 HG2 GLN A 49 18.768 -9.724 -32.406 1.00 65.11 H new ATOM 0 HG3 GLN A 49 19.983 -8.753 -33.215 1.00 65.11 H new ATOM 0 HE21 GLN A 49 20.408 -10.316 -34.799 1.00 71.25 H new ATOM 0 HE22 GLN A 49 21.270 -11.814 -34.432 1.00 71.25 H new ATOM 758 N GLY A 50 18.739 -6.650 -28.744 1.00 33.42 N ATOM 759 CA GLY A 50 18.727 -6.335 -27.327 1.00 54.23 C ATOM 760 C GLY A 50 17.635 -7.074 -26.578 1.00 45.51 C ATOM 761 O GLY A 50 16.591 -7.395 -27.144 1.00 55.35 O ATOM 0 H GLY A 50 17.915 -6.339 -29.259 1.00 33.42 H new ATOM 0 HA2 GLY A 50 19.695 -6.587 -26.894 1.00 54.23 H new ATOM 0 HA3 GLY A 50 18.590 -5.261 -27.198 1.00 54.23 H new ATOM 765 N LYS A 51 17.878 -7.346 -25.300 1.00 53.03 N ATOM 766 CA LYS A 51 16.908 -8.052 -24.471 1.00 64.20 C ATOM 767 C LYS A 51 16.557 -7.237 -23.231 1.00 12.31 C ATOM 768 O LYS A 51 17.395 -6.511 -22.694 1.00 62.21 O ATOM 769 CB LYS A 51 17.460 -9.418 -24.057 1.00 22.23 C ATOM 770 CG LYS A 51 16.616 -10.123 -23.009 1.00 52.11 C ATOM 771 CD LYS A 51 17.221 -11.459 -22.612 1.00 13.02 C ATOM 772 CE LYS A 51 16.872 -12.549 -23.614 1.00 42.31 C ATOM 773 NZ LYS A 51 17.126 -13.909 -23.065 1.00 21.32 N ATOM 0 H LYS A 51 18.738 -7.088 -24.816 1.00 53.03 H new ATOM 0 HA LYS A 51 16.001 -8.196 -25.058 1.00 64.20 H new ATOM 0 HB2 LYS A 51 17.534 -10.053 -24.940 1.00 22.23 H new ATOM 0 HB3 LYS A 51 18.471 -9.290 -23.671 1.00 22.23 H new ATOM 0 HG2 LYS A 51 16.524 -9.488 -22.128 1.00 52.11 H new ATOM 0 HG3 LYS A 51 15.609 -10.279 -23.396 1.00 52.11 H new ATOM 0 HD2 LYS A 51 18.304 -11.362 -22.541 1.00 13.02 H new ATOM 0 HD3 LYS A 51 16.861 -11.743 -21.623 1.00 13.02 H new ATOM 0 HE2 LYS A 51 15.823 -12.461 -23.895 1.00 42.31 H new ATOM 0 HE3 LYS A 51 17.458 -12.409 -24.522 1.00 42.31 H new ATOM 0 HZ1 LYS A 51 16.797 -14.625 -23.744 1.00 21.32 H new ATOM 0 HZ2 LYS A 51 18.145 -14.032 -22.899 1.00 21.32 H new ATOM 0 HZ3 LYS A 51 16.613 -14.022 -22.167 1.00 21.32 H new ATOM 787 N LEU A 52 15.314 -7.361 -22.779 1.00 73.35 N ATOM 788 CA LEU A 52 14.852 -6.637 -21.601 1.00 15.33 C ATOM 789 C LEU A 52 14.457 -7.602 -20.488 1.00 25.33 C ATOM 790 O LEU A 52 13.312 -8.046 -20.415 1.00 53.32 O ATOM 791 CB LEU A 52 13.663 -5.743 -21.960 1.00 44.14 C ATOM 792 CG LEU A 52 13.916 -4.695 -23.045 1.00 0.45 C ATOM 793 CD1 LEU A 52 12.698 -3.800 -23.216 1.00 61.13 C ATOM 794 CD2 LEU A 52 15.146 -3.865 -22.707 1.00 42.35 C ATOM 0 H LEU A 52 14.608 -7.957 -23.211 1.00 73.35 H new ATOM 0 HA LEU A 52 15.673 -6.015 -21.244 1.00 15.33 H new ATOM 0 HB2 LEU A 52 12.839 -6.380 -22.283 1.00 44.14 H new ATOM 0 HB3 LEU A 52 13.334 -5.230 -21.057 1.00 44.14 H new ATOM 0 HG LEU A 52 14.098 -5.211 -23.988 1.00 0.45 H new ATOM 0 HD11 LEU A 52 12.896 -3.060 -23.992 1.00 61.13 H new ATOM 0 HD12 LEU A 52 11.839 -4.406 -23.503 1.00 61.13 H new ATOM 0 HD13 LEU A 52 12.485 -3.291 -22.276 1.00 61.13 H new ATOM 0 HD21 LEU A 52 15.311 -3.124 -23.489 1.00 42.35 H new ATOM 0 HD22 LEU A 52 14.992 -3.358 -21.754 1.00 42.35 H new ATOM 0 HD23 LEU A 52 16.016 -4.517 -22.635 1.00 42.35 H new ATOM 806 N GLN A 53 15.414 -7.922 -19.622 1.00 41.40 N ATOM 807 CA GLN A 53 15.166 -8.834 -18.512 1.00 13.53 C ATOM 808 C GLN A 53 14.724 -8.069 -17.268 1.00 70.30 C ATOM 809 O GLN A 53 15.414 -7.161 -16.808 1.00 1.14 O ATOM 810 CB GLN A 53 16.422 -9.650 -18.204 1.00 1.13 C ATOM 811 CG GLN A 53 16.714 -10.730 -19.233 1.00 52.54 C ATOM 812 CD GLN A 53 17.520 -11.879 -18.661 1.00 51.14 C ATOM 813 OE1 GLN A 53 18.184 -11.736 -17.635 1.00 4.14 O ATOM 814 NE2 GLN A 53 17.466 -13.028 -19.324 1.00 74.15 N ATOM 0 H GLN A 53 16.368 -7.563 -19.668 1.00 41.40 H new ATOM 0 HA GLN A 53 14.364 -9.512 -18.804 1.00 13.53 H new ATOM 0 HB2 GLN A 53 17.277 -8.977 -18.144 1.00 1.13 H new ATOM 0 HB3 GLN A 53 16.312 -10.114 -17.224 1.00 1.13 H new ATOM 0 HG2 GLN A 53 15.773 -11.113 -19.629 1.00 52.54 H new ATOM 0 HG3 GLN A 53 17.257 -10.291 -20.070 1.00 52.54 H new ATOM 0 HE21 GLN A 53 16.902 -13.102 -20.171 1.00 74.15 H new ATOM 0 HE22 GLN A 53 17.988 -13.837 -18.986 1.00 74.15 H new ATOM 823 N GLY A 54 13.568 -8.444 -16.729 1.00 12.04 N ATOM 824 CA GLY A 54 13.054 -7.783 -15.543 1.00 75.13 C ATOM 825 C GLY A 54 11.540 -7.705 -15.533 1.00 73.55 C ATOM 826 O GLY A 54 10.860 -8.322 -16.354 1.00 71.11 O ATOM 0 H GLY A 54 12.978 -9.193 -17.092 1.00 12.04 H new ATOM 0 HA2 GLY A 54 13.393 -8.319 -14.656 1.00 75.13 H new ATOM 0 HA3 GLY A 54 13.467 -6.776 -15.484 1.00 75.13 H new ATOM 830 N PRO A 55 10.989 -6.933 -14.585 1.00 60.30 N ATOM 831 CA PRO A 55 9.540 -6.760 -14.448 1.00 31.10 C ATOM 832 C PRO A 55 8.942 -5.950 -15.593 1.00 1.41 C ATOM 833 O PRO A 55 9.537 -4.973 -16.051 1.00 73.52 O ATOM 834 CB PRO A 55 9.397 -6.003 -13.125 1.00 74.22 C ATOM 835 CG PRO A 55 10.691 -5.284 -12.958 1.00 74.21 C ATOM 836 CD PRO A 55 11.739 -6.169 -13.574 1.00 33.53 C ATOM 0 HA PRO A 55 9.012 -7.713 -14.469 1.00 31.10 H new ATOM 0 HB2 PRO A 55 8.559 -5.307 -13.156 1.00 74.22 H new ATOM 0 HB3 PRO A 55 9.214 -6.686 -12.296 1.00 74.22 H new ATOM 0 HG2 PRO A 55 10.663 -4.312 -13.450 1.00 74.21 H new ATOM 0 HG3 PRO A 55 10.904 -5.103 -11.904 1.00 74.21 H new ATOM 0 HD2 PRO A 55 12.542 -5.586 -14.025 1.00 33.53 H new ATOM 0 HD3 PRO A 55 12.197 -6.824 -12.833 1.00 33.53 H new ATOM 844 N ILE A 56 7.764 -6.360 -16.050 1.00 12.31 N ATOM 845 CA ILE A 56 7.086 -5.670 -17.140 1.00 52.03 C ATOM 846 C ILE A 56 6.772 -4.225 -16.766 1.00 70.32 C ATOM 847 O ILE A 56 6.727 -3.346 -17.627 1.00 21.24 O ATOM 848 CB ILE A 56 5.778 -6.383 -17.531 1.00 33.14 C ATOM 849 CG1 ILE A 56 6.063 -7.828 -17.944 1.00 71.32 C ATOM 850 CG2 ILE A 56 5.080 -5.632 -18.655 1.00 63.31 C ATOM 851 CD1 ILE A 56 4.830 -8.704 -17.968 1.00 60.42 C ATOM 0 H ILE A 56 7.259 -7.167 -15.682 1.00 12.31 H new ATOM 0 HA ILE A 56 7.766 -5.683 -17.992 1.00 52.03 H new ATOM 0 HB ILE A 56 5.116 -6.397 -16.665 1.00 33.14 H new ATOM 0 HG12 ILE A 56 6.520 -7.831 -18.933 1.00 71.32 H new ATOM 0 HG13 ILE A 56 6.791 -8.257 -17.255 1.00 71.32 H new ATOM 0 HG21 ILE A 56 4.157 -6.149 -18.920 1.00 63.31 H new ATOM 0 HG22 ILE A 56 4.847 -4.619 -18.326 1.00 63.31 H new ATOM 0 HG23 ILE A 56 5.735 -5.589 -19.526 1.00 63.31 H new ATOM 0 HD11 ILE A 56 5.107 -9.714 -18.269 1.00 60.42 H new ATOM 0 HD12 ILE A 56 4.384 -8.731 -16.974 1.00 60.42 H new ATOM 0 HD13 ILE A 56 4.109 -8.298 -18.678 1.00 60.42 H new ATOM 863 N SER A 57 6.557 -3.987 -15.476 1.00 61.23 N ATOM 864 CA SER A 57 6.246 -2.649 -14.988 1.00 34.14 C ATOM 865 C SER A 57 7.295 -1.643 -15.451 1.00 23.51 C ATOM 866 O SER A 57 7.005 -0.459 -15.622 1.00 61.34 O ATOM 867 CB SER A 57 6.161 -2.648 -13.460 1.00 40.10 C ATOM 868 OG SER A 57 6.484 -1.373 -12.932 1.00 71.03 O ATOM 0 H SER A 57 6.593 -4.703 -14.751 1.00 61.23 H new ATOM 0 HA SER A 57 5.280 -2.355 -15.399 1.00 34.14 H new ATOM 0 HB2 SER A 57 5.155 -2.930 -13.148 1.00 40.10 H new ATOM 0 HB3 SER A 57 6.842 -3.396 -13.054 1.00 40.10 H new ATOM 0 HG SER A 57 6.139 -1.301 -12.018 1.00 71.03 H new ATOM 874 N LYS A 58 8.518 -2.124 -15.652 1.00 33.12 N ATOM 875 CA LYS A 58 9.613 -1.270 -16.096 1.00 54.04 C ATOM 876 C LYS A 58 9.899 -1.481 -17.580 1.00 1.33 C ATOM 877 O LYS A 58 10.188 -0.531 -18.307 1.00 43.34 O ATOM 878 CB LYS A 58 10.873 -1.554 -15.277 1.00 65.31 C ATOM 879 CG LYS A 58 10.939 -0.778 -13.973 1.00 23.40 C ATOM 880 CD LYS A 58 9.774 -1.122 -13.060 1.00 40.03 C ATOM 881 CE LYS A 58 9.840 -0.344 -11.755 1.00 23.11 C ATOM 882 NZ LYS A 58 8.511 -0.264 -11.089 1.00 53.31 N ATOM 0 H LYS A 58 8.775 -3.101 -15.514 1.00 33.12 H new ATOM 0 HA LYS A 58 9.316 -0.232 -15.945 1.00 54.04 H new ATOM 0 HB2 LYS A 58 10.921 -2.621 -15.058 1.00 65.31 H new ATOM 0 HB3 LYS A 58 11.749 -1.312 -15.879 1.00 65.31 H new ATOM 0 HG2 LYS A 58 11.878 -0.998 -13.465 1.00 23.40 H new ATOM 0 HG3 LYS A 58 10.934 0.291 -14.184 1.00 23.40 H new ATOM 0 HD2 LYS A 58 8.835 -0.903 -13.568 1.00 40.03 H new ATOM 0 HD3 LYS A 58 9.780 -2.191 -12.848 1.00 40.03 H new ATOM 0 HE2 LYS A 58 10.554 -0.821 -11.084 1.00 23.11 H new ATOM 0 HE3 LYS A 58 10.209 0.663 -11.951 1.00 23.11 H new ATOM 0 HZ1 LYS A 58 8.409 0.663 -10.628 1.00 53.31 H new ATOM 0 HZ2 LYS A 58 7.760 -0.382 -11.798 1.00 53.31 H new ATOM 0 HZ3 LYS A 58 8.435 -1.016 -10.375 1.00 53.31 H new ATOM 896 N VAL A 59 9.816 -2.731 -18.022 1.00 74.42 N ATOM 897 CA VAL A 59 10.063 -3.066 -19.419 1.00 64.15 C ATOM 898 C VAL A 59 9.169 -2.251 -20.347 1.00 31.12 C ATOM 899 O VAL A 59 9.556 -1.923 -21.468 1.00 53.25 O ATOM 900 CB VAL A 59 9.831 -4.565 -19.687 1.00 64.11 C ATOM 901 CG1 VAL A 59 10.151 -4.905 -21.135 1.00 53.30 C ATOM 902 CG2 VAL A 59 10.665 -5.411 -18.736 1.00 52.12 C ATOM 0 H VAL A 59 9.579 -3.529 -17.433 1.00 74.42 H new ATOM 0 HA VAL A 59 11.107 -2.826 -19.621 1.00 64.15 H new ATOM 0 HB VAL A 59 8.779 -4.789 -19.510 1.00 64.11 H new ATOM 0 HG11 VAL A 59 9.981 -5.968 -21.305 1.00 53.30 H new ATOM 0 HG12 VAL A 59 9.507 -4.324 -21.796 1.00 53.30 H new ATOM 0 HG13 VAL A 59 11.194 -4.666 -21.343 1.00 53.30 H new ATOM 0 HG21 VAL A 59 10.489 -6.467 -18.939 1.00 52.12 H new ATOM 0 HG22 VAL A 59 11.722 -5.185 -18.879 1.00 52.12 H new ATOM 0 HG23 VAL A 59 10.383 -5.187 -17.707 1.00 52.12 H new ATOM 912 N ARG A 60 7.971 -1.927 -19.871 1.00 22.15 N ATOM 913 CA ARG A 60 7.021 -1.151 -20.657 1.00 53.53 C ATOM 914 C ARG A 60 7.565 0.246 -20.945 1.00 24.52 C ATOM 915 O ARG A 60 7.172 0.887 -21.918 1.00 75.12 O ATOM 916 CB ARG A 60 5.683 -1.046 -19.923 1.00 30.34 C ATOM 917 CG ARG A 60 4.915 -2.357 -19.867 1.00 0.22 C ATOM 918 CD ARG A 60 4.247 -2.668 -21.197 1.00 62.21 C ATOM 919 NE ARG A 60 3.109 -3.570 -21.040 1.00 50.33 N ATOM 920 CZ ARG A 60 1.954 -3.207 -20.493 1.00 62.11 C ATOM 921 NH1 ARG A 60 1.785 -1.968 -20.053 1.00 45.22 N ATOM 922 NH2 ARG A 60 0.965 -4.085 -20.386 1.00 11.14 N ATOM 0 H ARG A 60 7.636 -2.190 -18.944 1.00 22.15 H new ATOM 0 HA ARG A 60 6.868 -1.666 -21.605 1.00 53.53 H new ATOM 0 HB2 ARG A 60 5.862 -0.696 -18.906 1.00 30.34 H new ATOM 0 HB3 ARG A 60 5.066 -0.294 -20.415 1.00 30.34 H new ATOM 0 HG2 ARG A 60 5.594 -3.167 -19.602 1.00 0.22 H new ATOM 0 HG3 ARG A 60 4.160 -2.304 -19.083 1.00 0.22 H new ATOM 0 HD2 ARG A 60 3.913 -1.740 -21.661 1.00 62.21 H new ATOM 0 HD3 ARG A 60 4.975 -3.117 -21.872 1.00 62.21 H new ATOM 0 HE ARG A 60 3.206 -4.531 -21.368 1.00 50.33 H new ATOM 0 HH11 ARG A 60 2.543 -1.290 -20.134 1.00 45.22 H new ATOM 0 HH12 ARG A 60 0.897 -1.692 -19.634 1.00 45.22 H new ATOM 0 HH21 ARG A 60 1.091 -5.039 -20.724 1.00 11.14 H new ATOM 0 HH22 ARG A 60 0.078 -3.806 -19.966 1.00 11.14 H new ATOM 936 N GLU A 61 8.472 0.709 -20.091 1.00 25.15 N ATOM 937 CA GLU A 61 9.069 2.029 -20.253 1.00 5.31 C ATOM 938 C GLU A 61 10.282 1.968 -21.178 1.00 13.32 C ATOM 939 O GLU A 61 10.560 2.913 -21.916 1.00 63.41 O ATOM 940 CB GLU A 61 9.480 2.599 -18.893 1.00 73.33 C ATOM 941 CG GLU A 61 8.423 2.424 -17.816 1.00 34.40 C ATOM 942 CD GLU A 61 8.386 3.584 -16.840 1.00 63.42 C ATOM 943 OE1 GLU A 61 9.365 3.755 -16.084 1.00 61.50 O ATOM 944 OE2 GLU A 61 7.378 4.321 -16.833 1.00 61.13 O ATOM 0 H GLU A 61 8.809 0.190 -19.280 1.00 25.15 H new ATOM 0 HA GLU A 61 8.322 2.684 -20.703 1.00 5.31 H new ATOM 0 HB2 GLU A 61 10.401 2.115 -18.569 1.00 73.33 H new ATOM 0 HB3 GLU A 61 9.701 3.661 -19.005 1.00 73.33 H new ATOM 0 HG2 GLU A 61 7.445 2.318 -18.286 1.00 34.40 H new ATOM 0 HG3 GLU A 61 8.616 1.501 -17.270 1.00 34.40 H new ATOM 951 N MET A 62 10.999 0.850 -21.131 1.00 11.54 N ATOM 952 CA MET A 62 12.181 0.666 -21.964 1.00 70.44 C ATOM 953 C MET A 62 11.789 0.434 -23.420 1.00 54.22 C ATOM 954 O MET A 62 12.414 0.973 -24.333 1.00 71.52 O ATOM 955 CB MET A 62 13.012 -0.513 -21.454 1.00 72.53 C ATOM 956 CG MET A 62 14.508 -0.334 -21.653 1.00 41.41 C ATOM 957 SD MET A 62 15.320 0.378 -20.209 1.00 11.20 S ATOM 958 CE MET A 62 14.894 2.108 -20.399 1.00 64.54 C ATOM 0 H MET A 62 10.782 0.059 -20.525 1.00 11.54 H new ATOM 0 HA MET A 62 12.780 1.575 -21.907 1.00 70.44 H new ATOM 0 HB2 MET A 62 12.810 -0.657 -20.393 1.00 72.53 H new ATOM 0 HB3 MET A 62 12.692 -1.421 -21.966 1.00 72.53 H new ATOM 0 HG2 MET A 62 14.959 -1.300 -21.879 1.00 41.41 H new ATOM 0 HG3 MET A 62 14.682 0.308 -22.516 1.00 41.41 H new ATOM 0 HE1 MET A 62 15.529 2.712 -19.751 1.00 64.54 H new ATOM 0 HE2 MET A 62 15.044 2.408 -21.436 1.00 64.54 H new ATOM 0 HE3 MET A 62 13.850 2.258 -20.125 1.00 64.54 H new ATOM 968 N GLN A 63 10.751 -0.370 -23.628 1.00 53.41 N ATOM 969 CA GLN A 63 10.277 -0.672 -24.974 1.00 31.05 C ATOM 970 C GLN A 63 10.005 0.609 -25.756 1.00 32.34 C ATOM 971 O GLN A 63 10.111 0.635 -26.982 1.00 31.40 O ATOM 972 CB GLN A 63 9.008 -1.525 -24.911 1.00 4.43 C ATOM 973 CG GLN A 63 7.896 -0.900 -24.083 1.00 63.52 C ATOM 974 CD GLN A 63 6.539 -1.511 -24.374 1.00 45.22 C ATOM 975 OE1 GLN A 63 5.636 -0.836 -24.868 1.00 74.25 O ATOM 976 NE2 GLN A 63 6.390 -2.794 -24.069 1.00 34.33 N ATOM 0 H GLN A 63 10.223 -0.824 -22.883 1.00 53.41 H new ATOM 0 HA GLN A 63 11.057 -1.232 -25.490 1.00 31.05 H new ATOM 0 HB2 GLN A 63 8.644 -1.695 -25.924 1.00 4.43 H new ATOM 0 HB3 GLN A 63 9.256 -2.501 -24.493 1.00 4.43 H new ATOM 0 HG2 GLN A 63 8.125 -1.020 -23.024 1.00 63.52 H new ATOM 0 HG3 GLN A 63 7.858 0.171 -24.281 1.00 63.52 H new ATOM 0 HE21 GLN A 63 7.166 -3.315 -23.661 1.00 34.33 H new ATOM 0 HE22 GLN A 63 5.499 -3.259 -24.243 1.00 34.33 H new ATOM 985 N LYS A 64 9.653 1.670 -25.038 1.00 51.55 N ATOM 986 CA LYS A 64 9.366 2.956 -25.664 1.00 30.11 C ATOM 987 C LYS A 64 10.647 3.757 -25.873 1.00 11.31 C ATOM 988 O LYS A 64 10.737 4.572 -26.791 1.00 42.12 O ATOM 989 CB LYS A 64 8.385 3.757 -24.805 1.00 22.14 C ATOM 990 CG LYS A 64 6.947 3.674 -25.285 1.00 72.44 C ATOM 991 CD LYS A 64 6.198 2.537 -24.610 1.00 11.24 C ATOM 992 CE LYS A 64 4.716 2.850 -24.473 1.00 74.13 C ATOM 993 NZ LYS A 64 3.922 2.276 -25.595 1.00 63.03 N ATOM 0 H LYS A 64 9.560 1.665 -24.022 1.00 51.55 H new ATOM 0 HA LYS A 64 8.915 2.765 -26.638 1.00 30.11 H new ATOM 0 HB2 LYS A 64 8.437 3.397 -23.777 1.00 22.14 H new ATOM 0 HB3 LYS A 64 8.695 4.802 -24.793 1.00 22.14 H new ATOM 0 HG2 LYS A 64 6.439 4.617 -25.081 1.00 72.44 H new ATOM 0 HG3 LYS A 64 6.931 3.531 -26.365 1.00 72.44 H new ATOM 0 HD2 LYS A 64 6.326 1.622 -25.188 1.00 11.24 H new ATOM 0 HD3 LYS A 64 6.625 2.353 -23.624 1.00 11.24 H new ATOM 0 HE2 LYS A 64 4.347 2.454 -23.527 1.00 74.13 H new ATOM 0 HE3 LYS A 64 4.574 3.930 -24.443 1.00 74.13 H new ATOM 0 HZ1 LYS A 64 2.917 2.511 -25.465 1.00 63.03 H new ATOM 0 HZ2 LYS A 64 4.257 2.673 -26.496 1.00 63.03 H new ATOM 0 HZ3 LYS A 64 4.037 1.242 -25.608 1.00 63.03 H new ATOM 1007 N TRP A 65 11.634 3.519 -25.017 1.00 41.41 N ATOM 1008 CA TRP A 65 12.911 4.219 -25.110 1.00 33.33 C ATOM 1009 C TRP A 65 13.712 3.732 -26.312 1.00 53.44 C ATOM 1010 O TRP A 65 14.556 4.456 -26.842 1.00 42.02 O ATOM 1011 CB TRP A 65 13.720 4.018 -23.827 1.00 71.44 C ATOM 1012 CG TRP A 65 13.441 5.054 -22.781 1.00 23.43 C ATOM 1013 CD1 TRP A 65 12.857 4.852 -21.563 1.00 23.32 C ATOM 1014 CD2 TRP A 65 13.734 6.453 -22.861 1.00 35.12 C ATOM 1015 NE1 TRP A 65 12.769 6.041 -20.881 1.00 12.41 N ATOM 1016 CE2 TRP A 65 13.300 7.039 -21.655 1.00 62.42 C ATOM 1017 CE3 TRP A 65 14.321 7.268 -23.832 1.00 73.34 C ATOM 1018 CZ2 TRP A 65 13.435 8.400 -21.399 1.00 4.42 C ATOM 1019 CZ3 TRP A 65 14.454 8.619 -23.577 1.00 11.15 C ATOM 1020 CH2 TRP A 65 14.014 9.175 -22.368 1.00 32.43 C ATOM 0 H TRP A 65 11.575 2.848 -24.251 1.00 41.41 H new ATOM 0 HA TRP A 65 12.706 5.282 -25.240 1.00 33.33 H new ATOM 0 HB2 TRP A 65 13.501 3.031 -23.419 1.00 71.44 H new ATOM 0 HB3 TRP A 65 14.783 4.034 -24.070 1.00 71.44 H new ATOM 0 HD1 TRP A 65 12.515 3.898 -21.191 1.00 23.32 H new ATOM 0 HE1 TRP A 65 12.372 6.161 -19.949 1.00 12.41 H new ATOM 0 HE3 TRP A 65 14.665 6.849 -24.766 1.00 73.34 H new ATOM 0 HZ2 TRP A 65 13.095 8.830 -20.469 1.00 4.42 H new ATOM 0 HZ3 TRP A 65 14.905 9.258 -24.322 1.00 11.15 H new ATOM 0 HH2 TRP A 65 14.134 10.235 -22.197 1.00 32.43 H new ATOM 1031 N LEU A 66 13.442 2.504 -26.740 1.00 23.24 N ATOM 1032 CA LEU A 66 14.138 1.921 -27.881 1.00 65.24 C ATOM 1033 C LEU A 66 13.202 1.781 -29.077 1.00 52.41 C ATOM 1034 O LEU A 66 13.504 1.070 -30.034 1.00 44.14 O ATOM 1035 CB LEU A 66 14.715 0.554 -27.509 1.00 21.14 C ATOM 1036 CG LEU A 66 16.164 0.547 -27.020 1.00 40.21 C ATOM 1037 CD1 LEU A 66 16.401 -0.616 -26.069 1.00 44.42 C ATOM 1038 CD2 LEU A 66 17.124 0.479 -28.199 1.00 11.01 C ATOM 0 H LEU A 66 12.746 1.893 -26.314 1.00 23.24 H new ATOM 0 HA LEU A 66 14.953 2.590 -28.157 1.00 65.24 H new ATOM 0 HB2 LEU A 66 14.088 0.117 -26.732 1.00 21.14 H new ATOM 0 HB3 LEU A 66 14.643 -0.097 -28.380 1.00 21.14 H new ATOM 0 HG LEU A 66 16.350 1.475 -26.479 1.00 40.21 H new ATOM 0 HD11 LEU A 66 17.437 -0.605 -25.732 1.00 44.42 H new ATOM 0 HD12 LEU A 66 15.738 -0.523 -25.209 1.00 44.42 H new ATOM 0 HD13 LEU A 66 16.198 -1.555 -26.584 1.00 44.42 H new ATOM 0 HD21 LEU A 66 18.151 0.475 -27.833 1.00 11.01 H new ATOM 0 HD22 LEU A 66 16.938 -0.432 -28.768 1.00 11.01 H new ATOM 0 HD23 LEU A 66 16.972 1.346 -28.842 1.00 11.01 H new ATOM 1050 N GLU A 67 12.065 2.467 -29.015 1.00 14.13 N ATOM 1051 CA GLU A 67 11.085 2.420 -30.094 1.00 12.04 C ATOM 1052 C GLU A 67 10.901 3.798 -30.722 1.00 14.53 C ATOM 1053 O GLU A 67 10.942 3.948 -31.943 1.00 41.05 O ATOM 1054 CB GLU A 67 9.743 1.902 -29.572 1.00 20.23 C ATOM 1055 CG GLU A 67 8.611 2.024 -30.577 1.00 74.14 C ATOM 1056 CD GLU A 67 7.594 0.906 -30.450 1.00 64.44 C ATOM 1057 OE1 GLU A 67 6.691 1.020 -29.596 1.00 1.14 O ATOM 1058 OE2 GLU A 67 7.702 -0.083 -31.205 1.00 24.42 O ATOM 0 H GLU A 67 11.800 3.061 -28.230 1.00 14.13 H new ATOM 0 HA GLU A 67 11.457 1.738 -30.859 1.00 12.04 H new ATOM 0 HB2 GLU A 67 9.853 0.856 -29.287 1.00 20.23 H new ATOM 0 HB3 GLU A 67 9.477 2.452 -28.669 1.00 20.23 H new ATOM 0 HG2 GLU A 67 8.110 2.983 -30.440 1.00 74.14 H new ATOM 0 HG3 GLU A 67 9.024 2.021 -31.586 1.00 74.14 H new ATOM 1065 N THR A 68 10.696 4.805 -29.877 1.00 70.32 N ATOM 1066 CA THR A 68 10.503 6.170 -30.348 1.00 4.51 C ATOM 1067 C THR A 68 11.689 7.053 -29.975 1.00 64.23 C ATOM 1068 O THR A 68 12.071 7.947 -30.730 1.00 62.05 O ATOM 1069 CB THR A 68 9.217 6.788 -29.769 1.00 14.12 C ATOM 1070 OG1 THR A 68 9.180 8.193 -30.046 1.00 32.45 O ATOM 1071 CG2 THR A 68 9.135 6.560 -28.267 1.00 61.30 C ATOM 0 H THR A 68 10.660 4.700 -28.863 1.00 70.32 H new ATOM 0 HA THR A 68 10.417 6.120 -31.433 1.00 4.51 H new ATOM 0 HB THR A 68 8.363 6.302 -30.241 1.00 14.12 H new ATOM 0 HG1 THR A 68 8.358 8.578 -29.676 1.00 32.45 H new ATOM 0 HG21 THR A 68 8.218 7.005 -27.881 1.00 61.30 H new ATOM 0 HG22 THR A 68 9.133 5.490 -28.061 1.00 61.30 H new ATOM 0 HG23 THR A 68 9.995 7.021 -27.781 1.00 61.30 H new ATOM 1079 N ARG A 69 12.269 6.795 -28.807 1.00 54.33 N ATOM 1080 CA ARG A 69 13.412 7.567 -28.335 1.00 14.13 C ATOM 1081 C ARG A 69 14.721 6.861 -28.672 1.00 65.11 C ATOM 1082 O ARG A 69 14.722 5.775 -29.249 1.00 61.45 O ATOM 1083 CB ARG A 69 13.314 7.790 -26.824 1.00 63.13 C ATOM 1084 CG ARG A 69 12.068 8.549 -26.400 1.00 33.13 C ATOM 1085 CD ARG A 69 12.326 10.045 -26.321 1.00 44.44 C ATOM 1086 NE ARG A 69 12.259 10.682 -27.634 1.00 73.01 N ATOM 1087 CZ ARG A 69 12.504 11.971 -27.839 1.00 52.30 C ATOM 1088 NH1 ARG A 69 12.831 12.757 -26.823 1.00 5.04 N ATOM 1089 NH2 ARG A 69 12.422 12.477 -29.063 1.00 51.11 N ATOM 0 H ARG A 69 11.966 6.058 -28.171 1.00 54.33 H new ATOM 0 HA ARG A 69 13.400 8.533 -28.840 1.00 14.13 H new ATOM 0 HB2 ARG A 69 13.329 6.823 -26.321 1.00 63.13 H new ATOM 0 HB3 ARG A 69 14.195 8.338 -26.488 1.00 63.13 H new ATOM 0 HG2 ARG A 69 11.263 8.355 -27.109 1.00 33.13 H new ATOM 0 HG3 ARG A 69 11.732 8.185 -25.429 1.00 33.13 H new ATOM 0 HD2 ARG A 69 11.594 10.505 -25.657 1.00 44.44 H new ATOM 0 HD3 ARG A 69 13.308 10.221 -25.882 1.00 44.44 H new ATOM 0 HE ARG A 69 12.010 10.105 -28.437 1.00 73.01 H new ATOM 0 HH11 ARG A 69 12.895 12.372 -25.881 1.00 5.04 H new ATOM 0 HH12 ARG A 69 13.019 13.747 -26.984 1.00 5.04 H new ATOM 0 HH21 ARG A 69 12.171 11.876 -29.848 1.00 51.11 H new ATOM 0 HH22 ARG A 69 12.610 13.467 -29.219 1.00 51.11 H new ATOM 1103 N GLY A 70 15.837 7.487 -28.308 1.00 35.03 N ATOM 1104 CA GLY A 70 17.137 6.904 -28.581 1.00 4.45 C ATOM 1105 C GLY A 70 18.227 7.951 -28.703 1.00 61.15 C ATOM 1106 O GLY A 70 17.974 9.143 -28.531 1.00 43.21 O ATOM 0 H GLY A 70 15.863 8.387 -27.829 1.00 35.03 H new ATOM 0 HA2 GLY A 70 17.394 6.207 -27.783 1.00 4.45 H new ATOM 0 HA3 GLY A 70 17.087 6.327 -29.504 1.00 4.45 H new ATOM 1110 N SER A 71 19.443 7.505 -29.001 1.00 22.41 N ATOM 1111 CA SER A 71 20.577 8.411 -29.141 1.00 70.12 C ATOM 1112 C SER A 71 20.489 9.193 -30.448 1.00 61.55 C ATOM 1113 O SER A 71 19.772 8.820 -31.378 1.00 25.44 O ATOM 1114 CB SER A 71 21.891 7.629 -29.088 1.00 42.54 C ATOM 1115 OG SER A 71 22.682 8.035 -27.985 1.00 11.43 O ATOM 0 H SER A 71 19.668 6.521 -29.150 1.00 22.41 H new ATOM 0 HA SER A 71 20.550 9.119 -28.312 1.00 70.12 H new ATOM 0 HB2 SER A 71 21.680 6.562 -29.015 1.00 42.54 H new ATOM 0 HB3 SER A 71 22.446 7.782 -30.013 1.00 42.54 H new ATOM 0 HG SER A 71 22.215 7.819 -27.151 1.00 11.43 H new ATOM 1121 N PRO A 72 21.236 10.304 -30.523 1.00 54.34 N ATOM 1122 CA PRO A 72 21.261 11.163 -31.712 1.00 35.44 C ATOM 1123 C PRO A 72 21.958 10.497 -32.893 1.00 31.10 C ATOM 1124 O PRO A 72 21.616 10.747 -34.048 1.00 54.21 O ATOM 1125 CB PRO A 72 22.050 12.389 -31.247 1.00 15.13 C ATOM 1126 CG PRO A 72 22.907 11.889 -30.136 1.00 11.33 C ATOM 1127 CD PRO A 72 22.113 10.809 -29.454 1.00 64.12 C ATOM 0 HA PRO A 72 20.258 11.395 -32.069 1.00 35.44 H new ATOM 0 HB2 PRO A 72 22.652 12.802 -32.056 1.00 15.13 H new ATOM 0 HB3 PRO A 72 21.384 13.183 -30.907 1.00 15.13 H new ATOM 0 HG2 PRO A 72 23.851 11.498 -30.517 1.00 11.33 H new ATOM 0 HG3 PRO A 72 23.152 12.692 -29.440 1.00 11.33 H new ATOM 0 HD2 PRO A 72 22.758 10.024 -29.059 1.00 64.12 H new ATOM 0 HD3 PRO A 72 21.539 11.202 -28.615 1.00 64.12 H new ATOM 1135 N GLU A 73 22.937 9.648 -32.595 1.00 53.20 N ATOM 1136 CA GLU A 73 23.682 8.947 -33.634 1.00 52.32 C ATOM 1137 C GLU A 73 22.755 8.067 -34.468 1.00 64.20 C ATOM 1138 O GLU A 73 22.459 8.377 -35.622 1.00 13.34 O ATOM 1139 CB GLU A 73 24.790 8.095 -33.012 1.00 34.13 C ATOM 1140 CG GLU A 73 26.018 8.893 -32.608 1.00 13.31 C ATOM 1141 CD GLU A 73 25.801 9.695 -31.339 1.00 50.44 C ATOM 1142 OE1 GLU A 73 25.382 9.100 -30.325 1.00 2.33 O ATOM 1143 OE2 GLU A 73 26.051 10.919 -31.362 1.00 33.10 O ATOM 0 H GLU A 73 23.232 9.429 -31.643 1.00 53.20 H new ATOM 0 HA GLU A 73 24.132 9.693 -34.289 1.00 52.32 H new ATOM 0 HB2 GLU A 73 24.394 7.584 -32.134 1.00 34.13 H new ATOM 0 HB3 GLU A 73 25.086 7.324 -33.723 1.00 34.13 H new ATOM 0 HG2 GLU A 73 26.858 8.213 -32.464 1.00 13.31 H new ATOM 0 HG3 GLU A 73 26.290 9.569 -33.419 1.00 13.31 H new ATOM 1150 N SER A 74 22.302 6.967 -33.875 1.00 64.34 N ATOM 1151 CA SER A 74 21.413 6.038 -34.564 1.00 4.31 C ATOM 1152 C SER A 74 20.006 6.617 -34.678 1.00 45.24 C ATOM 1153 O SER A 74 19.704 7.664 -34.104 1.00 24.44 O ATOM 1154 CB SER A 74 21.368 4.700 -33.825 1.00 33.44 C ATOM 1155 OG SER A 74 21.218 4.893 -32.429 1.00 21.32 O ATOM 0 H SER A 74 22.536 6.697 -32.919 1.00 64.34 H new ATOM 0 HA SER A 74 21.803 5.877 -35.569 1.00 4.31 H new ATOM 0 HB2 SER A 74 20.540 4.100 -34.203 1.00 33.44 H new ATOM 0 HB3 SER A 74 22.283 4.141 -34.022 1.00 33.44 H new ATOM 0 HG SER A 74 21.760 4.234 -31.947 1.00 21.32 H new ATOM 1161 N HIS A 75 19.149 5.929 -35.425 1.00 70.42 N ATOM 1162 CA HIS A 75 17.773 6.373 -35.616 1.00 11.03 C ATOM 1163 C HIS A 75 16.826 5.181 -35.717 1.00 20.13 C ATOM 1164 O HIS A 75 16.941 4.360 -36.627 1.00 43.35 O ATOM 1165 CB HIS A 75 17.662 7.235 -36.874 1.00 25.13 C ATOM 1166 CG HIS A 75 16.357 7.960 -36.990 1.00 43.32 C ATOM 1167 ND1 HIS A 75 16.266 9.332 -37.096 1.00 15.12 N ATOM 1168 CD2 HIS A 75 15.086 7.496 -37.019 1.00 41.31 C ATOM 1169 CE1 HIS A 75 14.994 9.681 -37.183 1.00 23.32 C ATOM 1170 NE2 HIS A 75 14.258 8.585 -37.139 1.00 51.11 N ATOM 0 H HIS A 75 19.383 5.062 -35.908 1.00 70.42 H new ATOM 0 HA HIS A 75 17.487 6.970 -34.750 1.00 11.03 H new ATOM 0 HB2 HIS A 75 18.474 7.962 -36.879 1.00 25.13 H new ATOM 0 HB3 HIS A 75 17.796 6.602 -37.751 1.00 25.13 H new ATOM 0 HD2 HIS A 75 14.780 6.462 -36.959 1.00 41.31 H new ATOM 0 HE1 HIS A 75 14.620 10.690 -37.274 1.00 23.32 H new ATOM 0 HE2 HIS A 75 13.240 8.553 -37.186 1.00 51.11 H new ATOM 1178 N ILE A 76 15.892 5.092 -34.776 1.00 11.10 N ATOM 1179 CA ILE A 76 14.926 4.001 -34.760 1.00 71.31 C ATOM 1180 C ILE A 76 13.688 4.350 -35.579 1.00 40.31 C ATOM 1181 O ILE A 76 12.741 4.949 -35.068 1.00 24.22 O ATOM 1182 CB ILE A 76 14.495 3.651 -33.323 1.00 41.14 C ATOM 1183 CG1 ILE A 76 15.710 3.237 -32.490 1.00 74.51 C ATOM 1184 CG2 ILE A 76 13.453 2.543 -33.338 1.00 13.02 C ATOM 1185 CD1 ILE A 76 15.625 3.668 -31.043 1.00 31.54 C ATOM 0 H ILE A 76 15.784 5.762 -34.015 1.00 11.10 H new ATOM 0 HA ILE A 76 15.420 3.136 -35.203 1.00 71.31 H new ATOM 0 HB ILE A 76 14.050 4.535 -32.867 1.00 41.14 H new ATOM 0 HG12 ILE A 76 15.817 2.153 -32.532 1.00 74.51 H new ATOM 0 HG13 ILE A 76 16.609 3.664 -32.936 1.00 74.51 H new ATOM 0 HG21 ILE A 76 13.158 2.307 -32.316 1.00 13.02 H new ATOM 0 HG22 ILE A 76 12.579 2.873 -33.900 1.00 13.02 H new ATOM 0 HG23 ILE A 76 13.873 1.654 -33.809 1.00 13.02 H new ATOM 0 HD11 ILE A 76 16.519 3.341 -30.513 1.00 31.54 H new ATOM 0 HD12 ILE A 76 15.549 4.754 -30.991 1.00 31.54 H new ATOM 0 HD13 ILE A 76 14.745 3.220 -30.581 1.00 31.54 H new ATOM 1197 N ASP A 77 13.701 3.971 -36.852 1.00 45.32 N ATOM 1198 CA ASP A 77 12.579 4.242 -37.742 1.00 74.14 C ATOM 1199 C ASP A 77 11.408 3.312 -37.439 1.00 63.52 C ATOM 1200 O ASP A 77 10.253 3.643 -37.705 1.00 34.31 O ATOM 1201 CB ASP A 77 13.007 4.083 -39.202 1.00 5.21 C ATOM 1202 CG ASP A 77 11.942 4.553 -40.173 1.00 2.42 C ATOM 1203 OD1 ASP A 77 11.730 5.780 -40.272 1.00 55.14 O ATOM 1204 OD2 ASP A 77 11.322 3.695 -40.834 1.00 32.33 O ATOM 0 H ASP A 77 14.477 3.475 -37.291 1.00 45.32 H new ATOM 0 HA ASP A 77 12.257 5.270 -37.576 1.00 74.14 H new ATOM 0 HB2 ASP A 77 13.924 4.647 -39.372 1.00 5.21 H new ATOM 0 HB3 ASP A 77 13.236 3.036 -39.398 1.00 5.21 H new ATOM 1209 N LYS A 78 11.715 2.145 -36.882 1.00 64.01 N ATOM 1210 CA LYS A 78 10.690 1.165 -36.542 1.00 44.40 C ATOM 1211 C LYS A 78 11.262 0.067 -35.651 1.00 72.13 C ATOM 1212 O LYS A 78 12.438 -0.279 -35.754 1.00 62.32 O ATOM 1213 CB LYS A 78 10.101 0.551 -37.814 1.00 22.23 C ATOM 1214 CG LYS A 78 11.149 0.155 -38.840 1.00 32.03 C ATOM 1215 CD LYS A 78 10.631 -0.921 -39.779 1.00 54.13 C ATOM 1216 CE LYS A 78 9.802 -0.324 -40.907 1.00 30.43 C ATOM 1217 NZ LYS A 78 8.989 -1.358 -41.604 1.00 74.43 N ATOM 0 H LYS A 78 12.666 1.855 -36.656 1.00 64.01 H new ATOM 0 HA LYS A 78 9.899 1.677 -35.994 1.00 44.40 H new ATOM 0 HB2 LYS A 78 9.517 -0.329 -37.546 1.00 22.23 H new ATOM 0 HB3 LYS A 78 9.413 1.265 -38.267 1.00 22.23 H new ATOM 0 HG2 LYS A 78 11.444 1.031 -39.417 1.00 32.03 H new ATOM 0 HG3 LYS A 78 12.042 -0.206 -38.329 1.00 32.03 H new ATOM 0 HD2 LYS A 78 11.471 -1.476 -40.197 1.00 54.13 H new ATOM 0 HD3 LYS A 78 10.026 -1.634 -39.219 1.00 54.13 H new ATOM 0 HE2 LYS A 78 9.143 0.446 -40.505 1.00 30.43 H new ATOM 0 HE3 LYS A 78 10.462 0.163 -41.624 1.00 30.43 H new ATOM 0 HZ1 LYS A 78 8.439 -0.912 -42.365 1.00 74.43 H new ATOM 0 HZ2 LYS A 78 9.619 -2.080 -42.009 1.00 74.43 H new ATOM 0 HZ3 LYS A 78 8.341 -1.806 -40.925 1.00 74.43 H new ATOM 1231 N ALA A 79 10.421 -0.478 -34.779 1.00 32.25 N ATOM 1232 CA ALA A 79 10.842 -1.540 -33.873 1.00 13.12 C ATOM 1233 C ALA A 79 9.741 -2.580 -33.697 1.00 34.12 C ATOM 1234 O ALA A 79 8.603 -2.370 -34.116 1.00 62.50 O ATOM 1235 CB ALA A 79 11.240 -0.957 -32.525 1.00 51.20 C ATOM 0 H ALA A 79 9.444 -0.202 -34.680 1.00 32.25 H new ATOM 0 HA ALA A 79 11.708 -2.036 -34.312 1.00 13.12 H new ATOM 0 HB1 ALA A 79 11.552 -1.761 -31.859 1.00 51.20 H new ATOM 0 HB2 ALA A 79 12.065 -0.257 -32.660 1.00 51.20 H new ATOM 0 HB3 ALA A 79 10.389 -0.434 -32.089 1.00 51.20 H new ATOM 1241 N ASN A 80 10.087 -3.702 -33.075 1.00 21.33 N ATOM 1242 CA ASN A 80 9.127 -4.776 -32.845 1.00 25.24 C ATOM 1243 C ASN A 80 9.753 -5.898 -32.021 1.00 2.41 C ATOM 1244 O ASN A 80 10.918 -6.247 -32.212 1.00 3.13 O ATOM 1245 CB ASN A 80 8.620 -5.329 -34.178 1.00 23.41 C ATOM 1246 CG ASN A 80 7.222 -5.906 -34.070 1.00 70.40 C ATOM 1247 OD1 ASN A 80 6.382 -5.393 -33.331 1.00 53.54 O ATOM 1248 ND2 ASN A 80 6.967 -6.980 -34.808 1.00 73.24 N ATOM 0 H ASN A 80 11.025 -3.892 -32.721 1.00 21.33 H new ATOM 0 HA ASN A 80 8.286 -4.365 -32.287 1.00 25.24 H new ATOM 0 HB2 ASN A 80 8.625 -4.534 -34.924 1.00 23.41 H new ATOM 0 HB3 ASN A 80 9.303 -6.102 -34.531 1.00 23.41 H new ATOM 0 HD21 ASN A 80 6.044 -7.413 -34.776 1.00 73.24 H new ATOM 0 HD22 ASN A 80 7.694 -7.372 -35.407 1.00 73.24 H new ATOM 1255 N PHE A 81 8.971 -6.459 -31.105 1.00 0.33 N ATOM 1256 CA PHE A 81 9.448 -7.541 -30.251 1.00 51.42 C ATOM 1257 C PHE A 81 9.297 -8.890 -30.948 1.00 0.22 C ATOM 1258 O PHE A 81 8.693 -8.986 -32.017 1.00 5.13 O ATOM 1259 CB PHE A 81 8.682 -7.549 -28.927 1.00 31.33 C ATOM 1260 CG PHE A 81 7.190 -7.601 -29.097 1.00 45.31 C ATOM 1261 CD1 PHE A 81 6.558 -8.789 -29.424 1.00 33.22 C ATOM 1262 CD2 PHE A 81 6.421 -6.460 -28.931 1.00 63.13 C ATOM 1263 CE1 PHE A 81 5.185 -8.840 -29.581 1.00 24.00 C ATOM 1264 CE2 PHE A 81 5.049 -6.505 -29.087 1.00 12.02 C ATOM 1265 CZ PHE A 81 4.430 -7.696 -29.413 1.00 62.02 C ATOM 0 H PHE A 81 8.004 -6.182 -30.935 1.00 0.33 H new ATOM 0 HA PHE A 81 10.506 -7.373 -30.049 1.00 51.42 H new ATOM 0 HB2 PHE A 81 9.002 -8.407 -28.336 1.00 31.33 H new ATOM 0 HB3 PHE A 81 8.944 -6.656 -28.360 1.00 31.33 H new ATOM 0 HD1 PHE A 81 7.144 -9.686 -29.558 1.00 33.22 H new ATOM 0 HD2 PHE A 81 6.899 -5.526 -28.677 1.00 63.13 H new ATOM 0 HE1 PHE A 81 4.704 -9.773 -29.835 1.00 24.00 H new ATOM 0 HE2 PHE A 81 4.461 -5.609 -28.954 1.00 12.02 H new ATOM 0 HZ PHE A 81 3.358 -7.732 -29.536 1.00 62.02 H new ATOM 1275 N LYS A 82 9.850 -9.931 -30.335 1.00 4.53 N ATOM 1276 CA LYS A 82 9.778 -11.275 -30.893 1.00 62.44 C ATOM 1277 C LYS A 82 8.902 -12.177 -30.030 1.00 13.11 C ATOM 1278 O LYS A 82 7.843 -12.629 -30.464 1.00 64.41 O ATOM 1279 CB LYS A 82 11.181 -11.875 -31.015 1.00 71.24 C ATOM 1280 CG LYS A 82 11.898 -11.489 -32.297 1.00 60.35 C ATOM 1281 CD LYS A 82 11.545 -12.429 -33.438 1.00 50.34 C ATOM 1282 CE LYS A 82 11.623 -11.725 -34.784 1.00 51.24 C ATOM 1283 NZ LYS A 82 12.990 -11.797 -35.370 1.00 23.21 N ATOM 0 H LYS A 82 10.354 -9.869 -29.450 1.00 4.53 H new ATOM 0 HA LYS A 82 9.331 -11.205 -31.885 1.00 62.44 H new ATOM 0 HB2 LYS A 82 11.780 -11.554 -30.163 1.00 71.24 H new ATOM 0 HB3 LYS A 82 11.108 -12.961 -30.962 1.00 71.24 H new ATOM 0 HG2 LYS A 82 11.632 -10.468 -32.570 1.00 60.35 H new ATOM 0 HG3 LYS A 82 12.975 -11.505 -32.131 1.00 60.35 H new ATOM 0 HD2 LYS A 82 12.224 -13.281 -33.432 1.00 50.34 H new ATOM 0 HD3 LYS A 82 10.539 -12.822 -33.289 1.00 50.34 H new ATOM 0 HE2 LYS A 82 10.909 -12.177 -35.472 1.00 51.24 H new ATOM 0 HE3 LYS A 82 11.334 -10.681 -34.665 1.00 51.24 H new ATOM 0 HZ1 LYS A 82 12.978 -11.396 -36.329 1.00 23.21 H new ATOM 0 HZ2 LYS A 82 13.651 -11.256 -34.777 1.00 23.21 H new ATOM 0 HZ3 LYS A 82 13.297 -12.790 -35.414 1.00 23.21 H new ATOM 1297 N ASN A 83 9.349 -12.432 -28.805 1.00 24.42 N ATOM 1298 CA ASN A 83 8.605 -13.279 -27.880 1.00 74.20 C ATOM 1299 C ASN A 83 9.065 -13.052 -26.443 1.00 52.23 C ATOM 1300 O ASN A 83 10.251 -13.166 -26.136 1.00 52.22 O ATOM 1301 CB ASN A 83 8.775 -14.753 -28.255 1.00 4.30 C ATOM 1302 CG ASN A 83 7.749 -15.213 -29.272 1.00 61.21 C ATOM 1303 OD1 ASN A 83 6.550 -14.988 -29.106 1.00 42.04 O ATOM 1304 ND2 ASN A 83 8.217 -15.862 -30.332 1.00 32.40 N ATOM 0 H ASN A 83 10.223 -12.064 -28.430 1.00 24.42 H new ATOM 0 HA ASN A 83 7.551 -13.012 -27.951 1.00 74.20 H new ATOM 0 HB2 ASN A 83 9.776 -14.910 -28.657 1.00 4.30 H new ATOM 0 HB3 ASN A 83 8.692 -15.365 -27.357 1.00 4.30 H new ATOM 0 HD21 ASN A 83 7.574 -16.196 -31.050 1.00 32.40 H new ATOM 0 HD22 ASN A 83 9.219 -16.026 -30.428 1.00 32.40 H new ATOM 1311 N GLU A 84 8.117 -12.730 -25.568 1.00 23.40 N ATOM 1312 CA GLU A 84 8.426 -12.487 -24.164 1.00 22.01 C ATOM 1313 C GLU A 84 8.144 -13.728 -23.322 1.00 15.34 C ATOM 1314 O GLU A 84 7.093 -14.356 -23.453 1.00 52.24 O ATOM 1315 CB GLU A 84 7.612 -11.303 -23.637 1.00 60.33 C ATOM 1316 CG GLU A 84 6.121 -11.424 -23.903 1.00 32.12 C ATOM 1317 CD GLU A 84 5.712 -10.808 -25.227 1.00 23.31 C ATOM 1318 OE1 GLU A 84 5.919 -9.589 -25.403 1.00 25.25 O ATOM 1319 OE2 GLU A 84 5.186 -11.545 -26.087 1.00 15.51 O ATOM 0 H GLU A 84 7.130 -12.632 -25.806 1.00 23.40 H new ATOM 0 HA GLU A 84 9.487 -12.251 -24.088 1.00 22.01 H new ATOM 0 HB2 GLU A 84 7.775 -11.210 -22.563 1.00 60.33 H new ATOM 0 HB3 GLU A 84 7.981 -10.386 -24.096 1.00 60.33 H new ATOM 0 HG2 GLU A 84 5.839 -12.477 -23.894 1.00 32.12 H new ATOM 0 HG3 GLU A 84 5.571 -10.939 -23.096 1.00 32.12 H new ATOM 1326 N LYS A 85 9.089 -14.076 -22.456 1.00 4.23 N ATOM 1327 CA LYS A 85 8.944 -15.240 -21.590 1.00 62.34 C ATOM 1328 C LYS A 85 8.764 -14.818 -20.136 1.00 33.12 C ATOM 1329 O LYS A 85 9.399 -13.872 -19.670 1.00 52.11 O ATOM 1330 CB LYS A 85 10.166 -16.153 -21.720 1.00 12.12 C ATOM 1331 CG LYS A 85 10.170 -17.307 -20.732 1.00 44.20 C ATOM 1332 CD LYS A 85 11.460 -18.107 -20.815 1.00 14.30 C ATOM 1333 CE LYS A 85 11.348 -19.241 -21.822 1.00 72.10 C ATOM 1334 NZ LYS A 85 10.368 -20.275 -21.387 1.00 2.23 N ATOM 0 H LYS A 85 9.965 -13.568 -22.335 1.00 4.23 H new ATOM 0 HA LYS A 85 8.054 -15.786 -21.904 1.00 62.34 H new ATOM 0 HB2 LYS A 85 10.204 -16.553 -22.733 1.00 12.12 H new ATOM 0 HB3 LYS A 85 11.069 -15.560 -21.577 1.00 12.12 H new ATOM 0 HG2 LYS A 85 10.044 -16.922 -19.720 1.00 44.20 H new ATOM 0 HG3 LYS A 85 9.321 -17.961 -20.932 1.00 44.20 H new ATOM 0 HD2 LYS A 85 12.281 -17.448 -21.098 1.00 14.30 H new ATOM 0 HD3 LYS A 85 11.701 -18.514 -19.833 1.00 14.30 H new ATOM 0 HE2 LYS A 85 11.046 -18.839 -22.789 1.00 72.10 H new ATOM 0 HE3 LYS A 85 12.326 -19.703 -21.959 1.00 72.10 H new ATOM 0 HZ1 LYS A 85 10.616 -21.190 -21.814 1.00 2.23 H new ATOM 0 HZ2 LYS A 85 10.389 -20.359 -20.351 1.00 2.23 H new ATOM 0 HZ3 LYS A 85 9.413 -19.998 -21.692 1.00 2.23 H new ATOM 1348 N VAL A 86 7.895 -15.527 -19.422 1.00 54.10 N ATOM 1349 CA VAL A 86 7.633 -15.227 -18.019 1.00 72.14 C ATOM 1350 C VAL A 86 8.487 -16.096 -17.103 1.00 75.30 C ATOM 1351 O VAL A 86 8.383 -17.323 -17.121 1.00 63.24 O ATOM 1352 CB VAL A 86 6.147 -15.435 -17.669 1.00 25.22 C ATOM 1353 CG1 VAL A 86 5.883 -15.061 -16.218 1.00 44.55 C ATOM 1354 CG2 VAL A 86 5.261 -14.629 -18.606 1.00 42.12 C ATOM 0 H VAL A 86 7.361 -16.313 -19.792 1.00 54.10 H new ATOM 0 HA VAL A 86 7.891 -14.179 -17.865 1.00 72.14 H new ATOM 0 HB VAL A 86 5.906 -16.490 -17.797 1.00 25.22 H new ATOM 0 HG11 VAL A 86 4.828 -15.214 -15.989 1.00 44.55 H new ATOM 0 HG12 VAL A 86 6.491 -15.687 -15.565 1.00 44.55 H new ATOM 0 HG13 VAL A 86 6.140 -14.014 -16.060 1.00 44.55 H new ATOM 0 HG21 VAL A 86 4.215 -14.788 -18.344 1.00 42.12 H new ATOM 0 HG22 VAL A 86 5.501 -13.570 -18.513 1.00 42.12 H new ATOM 0 HG23 VAL A 86 5.431 -14.951 -19.634 1.00 42.12 H new ATOM 1364 N ILE A 87 9.329 -15.453 -16.302 1.00 40.43 N ATOM 1365 CA ILE A 87 10.200 -16.167 -15.377 1.00 73.21 C ATOM 1366 C ILE A 87 9.987 -15.692 -13.944 1.00 1.12 C ATOM 1367 O ILE A 87 9.420 -14.624 -13.710 1.00 12.12 O ATOM 1368 CB ILE A 87 11.683 -15.990 -15.750 1.00 25.20 C ATOM 1369 CG1 ILE A 87 12.001 -14.512 -15.983 1.00 15.40 C ATOM 1370 CG2 ILE A 87 12.021 -16.811 -16.986 1.00 34.02 C ATOM 1371 CD1 ILE A 87 13.448 -14.253 -16.338 1.00 51.33 C ATOM 0 H ILE A 87 9.427 -14.438 -16.275 1.00 40.43 H new ATOM 0 HA ILE A 87 9.940 -17.223 -15.449 1.00 73.21 H new ATOM 0 HB ILE A 87 12.295 -16.348 -14.922 1.00 25.20 H new ATOM 0 HG12 ILE A 87 11.366 -14.134 -16.784 1.00 15.40 H new ATOM 0 HG13 ILE A 87 11.750 -13.949 -15.084 1.00 15.40 H new ATOM 0 HG21 ILE A 87 13.073 -16.675 -17.237 1.00 34.02 H new ATOM 0 HG22 ILE A 87 11.829 -17.865 -16.786 1.00 34.02 H new ATOM 0 HG23 ILE A 87 11.403 -16.482 -17.822 1.00 34.02 H new ATOM 0 HD11 ILE A 87 13.600 -13.184 -16.489 1.00 51.33 H new ATOM 0 HD12 ILE A 87 14.089 -14.600 -15.528 1.00 51.33 H new ATOM 0 HD13 ILE A 87 13.699 -14.788 -17.254 1.00 51.33 H new ATOM 1383 N LEU A 88 10.447 -16.491 -12.987 1.00 43.43 N ATOM 1384 CA LEU A 88 10.310 -16.151 -11.575 1.00 73.32 C ATOM 1385 C LEU A 88 11.505 -15.336 -11.092 1.00 52.22 C ATOM 1386 O LEU A 88 11.398 -14.560 -10.142 1.00 21.43 O ATOM 1387 CB LEU A 88 10.173 -17.423 -10.736 1.00 14.21 C ATOM 1388 CG LEU A 88 9.110 -18.421 -11.198 1.00 45.11 C ATOM 1389 CD1 LEU A 88 9.478 -19.831 -10.763 1.00 33.03 C ATOM 1390 CD2 LEU A 88 7.742 -18.033 -10.657 1.00 3.24 C ATOM 0 H LEU A 88 10.918 -17.378 -13.163 1.00 43.43 H new ATOM 0 HA LEU A 88 9.411 -15.546 -11.458 1.00 73.32 H new ATOM 0 HB2 LEU A 88 11.137 -17.931 -10.722 1.00 14.21 H new ATOM 0 HB3 LEU A 88 9.950 -17.134 -9.709 1.00 14.21 H new ATOM 0 HG LEU A 88 9.066 -18.398 -12.287 1.00 45.11 H new ATOM 0 HD11 LEU A 88 8.711 -20.528 -11.100 1.00 33.03 H new ATOM 0 HD12 LEU A 88 10.437 -20.108 -11.200 1.00 33.03 H new ATOM 0 HD13 LEU A 88 9.550 -19.869 -9.676 1.00 33.03 H new ATOM 0 HD21 LEU A 88 6.999 -18.754 -10.996 1.00 3.24 H new ATOM 0 HD22 LEU A 88 7.770 -18.026 -9.567 1.00 3.24 H new ATOM 0 HD23 LEU A 88 7.476 -17.040 -11.019 1.00 3.24 H new ATOM 1402 N LYS A 89 12.643 -15.514 -11.754 1.00 72.44 N ATOM 1403 CA LYS A 89 13.858 -14.793 -11.396 1.00 63.31 C ATOM 1404 C LYS A 89 14.747 -14.585 -12.618 1.00 4.32 C ATOM 1405 O LYS A 89 14.627 -15.298 -13.615 1.00 25.33 O ATOM 1406 CB LYS A 89 14.629 -15.556 -10.316 1.00 13.12 C ATOM 1407 CG LYS A 89 14.762 -17.042 -10.599 1.00 25.22 C ATOM 1408 CD LYS A 89 15.412 -17.775 -9.437 1.00 15.14 C ATOM 1409 CE LYS A 89 14.551 -17.707 -8.184 1.00 73.34 C ATOM 1410 NZ LYS A 89 13.167 -18.198 -8.435 1.00 64.42 N ATOM 0 H LYS A 89 12.749 -16.152 -12.542 1.00 72.44 H new ATOM 0 HA LYS A 89 13.570 -13.816 -11.007 1.00 63.31 H new ATOM 0 HB2 LYS A 89 15.624 -15.123 -10.218 1.00 13.12 H new ATOM 0 HB3 LYS A 89 14.126 -15.421 -9.358 1.00 13.12 H new ATOM 0 HG2 LYS A 89 13.777 -17.466 -10.792 1.00 25.22 H new ATOM 0 HG3 LYS A 89 15.355 -17.190 -11.501 1.00 25.22 H new ATOM 0 HD2 LYS A 89 15.578 -18.817 -9.710 1.00 15.14 H new ATOM 0 HD3 LYS A 89 16.390 -17.340 -9.232 1.00 15.14 H new ATOM 0 HE2 LYS A 89 15.010 -18.303 -7.395 1.00 73.34 H new ATOM 0 HE3 LYS A 89 14.512 -16.678 -7.825 1.00 73.34 H new ATOM 0 HZ1 LYS A 89 12.704 -18.409 -7.528 1.00 64.42 H new ATOM 0 HZ2 LYS A 89 12.625 -17.467 -8.939 1.00 64.42 H new ATOM 0 HZ3 LYS A 89 13.205 -19.061 -9.014 1.00 64.42 H new ATOM 1424 N LEU A 90 15.640 -13.604 -12.534 1.00 31.41 N ATOM 1425 CA LEU A 90 16.551 -13.303 -13.633 1.00 10.04 C ATOM 1426 C LEU A 90 17.888 -14.011 -13.441 1.00 62.40 C ATOM 1427 O LEU A 90 18.331 -14.229 -12.313 1.00 33.10 O ATOM 1428 CB LEU A 90 16.771 -11.793 -13.739 1.00 4.02 C ATOM 1429 CG LEU A 90 15.543 -10.916 -13.494 1.00 32.45 C ATOM 1430 CD1 LEU A 90 15.925 -9.445 -13.511 1.00 50.43 C ATOM 1431 CD2 LEU A 90 14.468 -11.203 -14.532 1.00 14.33 C ATOM 0 H LEU A 90 15.752 -13.004 -11.717 1.00 31.41 H new ATOM 0 HA LEU A 90 16.099 -13.664 -14.557 1.00 10.04 H new ATOM 0 HB2 LEU A 90 17.544 -11.508 -13.025 1.00 4.02 H new ATOM 0 HB3 LEU A 90 17.158 -11.572 -14.734 1.00 4.02 H new ATOM 0 HG LEU A 90 15.141 -11.153 -12.509 1.00 32.45 H new ATOM 0 HD11 LEU A 90 15.038 -8.837 -13.335 1.00 50.43 H new ATOM 0 HD12 LEU A 90 16.659 -9.251 -12.729 1.00 50.43 H new ATOM 0 HD13 LEU A 90 16.352 -9.191 -14.481 1.00 50.43 H new ATOM 0 HD21 LEU A 90 13.601 -10.570 -14.343 1.00 14.33 H new ATOM 0 HD22 LEU A 90 14.859 -10.994 -15.528 1.00 14.33 H new ATOM 0 HD23 LEU A 90 14.173 -12.250 -14.470 1.00 14.33 H new ATOM 1443 N ASP A 91 18.528 -14.367 -14.550 1.00 13.51 N ATOM 1444 CA ASP A 91 19.817 -15.047 -14.504 1.00 75.45 C ATOM 1445 C ASP A 91 20.958 -14.042 -14.392 1.00 64.10 C ATOM 1446 O ASP A 91 22.029 -14.359 -13.873 1.00 62.24 O ATOM 1447 CB ASP A 91 20.004 -15.914 -15.751 1.00 51.40 C ATOM 1448 CG ASP A 91 19.183 -17.187 -15.700 1.00 52.10 C ATOM 1449 OD1 ASP A 91 17.985 -17.134 -16.048 1.00 72.21 O ATOM 1450 OD2 ASP A 91 19.738 -18.236 -15.311 1.00 72.21 O ATOM 0 H ASP A 91 18.175 -14.196 -15.492 1.00 13.51 H new ATOM 0 HA ASP A 91 19.832 -15.686 -13.621 1.00 75.45 H new ATOM 0 HB2 ASP A 91 19.724 -15.340 -16.634 1.00 51.40 H new ATOM 0 HB3 ASP A 91 21.058 -16.169 -15.858 1.00 51.40 H new ATOM 1455 N TYR A 92 20.723 -12.830 -14.882 1.00 61.20 N ATOM 1456 CA TYR A 92 21.733 -11.779 -14.840 1.00 20.32 C ATOM 1457 C TYR A 92 21.498 -10.845 -13.656 1.00 64.54 C ATOM 1458 O TYR A 92 20.391 -10.764 -13.125 1.00 70.32 O ATOM 1459 CB TYR A 92 21.723 -10.980 -16.144 1.00 74.41 C ATOM 1460 CG TYR A 92 22.349 -11.714 -17.309 1.00 34.14 C ATOM 1461 CD1 TYR A 92 23.726 -11.876 -17.394 1.00 33.20 C ATOM 1462 CD2 TYR A 92 21.562 -12.246 -18.323 1.00 62.13 C ATOM 1463 CE1 TYR A 92 24.302 -12.545 -18.457 1.00 33.24 C ATOM 1464 CE2 TYR A 92 22.129 -12.918 -19.389 1.00 4.11 C ATOM 1465 CZ TYR A 92 23.500 -13.064 -19.451 1.00 75.33 C ATOM 1466 OH TYR A 92 24.069 -13.733 -20.511 1.00 3.43 O ATOM 0 H TYR A 92 19.842 -12.551 -15.313 1.00 61.20 H new ATOM 0 HA TYR A 92 22.708 -12.252 -14.719 1.00 20.32 H new ATOM 0 HB2 TYR A 92 20.694 -10.726 -16.397 1.00 74.41 H new ATOM 0 HB3 TYR A 92 22.255 -10.041 -15.989 1.00 74.41 H new ATOM 0 HD1 TYR A 92 24.357 -11.472 -16.616 1.00 33.20 H new ATOM 0 HD2 TYR A 92 20.489 -12.132 -18.277 1.00 62.13 H new ATOM 0 HE1 TYR A 92 25.375 -12.661 -18.509 1.00 33.24 H new ATOM 0 HE2 TYR A 92 21.503 -13.326 -20.169 1.00 4.11 H new ATOM 0 HH TYR A 92 23.365 -14.036 -21.122 1.00 3.43 H new ATOM 1476 N SER A 93 22.550 -10.141 -13.249 1.00 73.41 N ATOM 1477 CA SER A 93 22.461 -9.215 -12.127 1.00 11.23 C ATOM 1478 C SER A 93 22.615 -7.772 -12.599 1.00 62.54 C ATOM 1479 O SER A 93 22.106 -6.844 -11.972 1.00 35.02 O ATOM 1480 CB SER A 93 23.532 -9.539 -11.084 1.00 65.21 C ATOM 1481 OG SER A 93 23.378 -10.857 -10.587 1.00 32.21 O ATOM 0 H SER A 93 23.473 -10.195 -13.680 1.00 73.41 H new ATOM 0 HA SER A 93 21.476 -9.327 -11.673 1.00 11.23 H new ATOM 0 HB2 SER A 93 24.521 -9.428 -11.528 1.00 65.21 H new ATOM 0 HB3 SER A 93 23.470 -8.827 -10.261 1.00 65.21 H new ATOM 0 HG SER A 93 24.076 -11.040 -9.923 1.00 32.21 H new ATOM 1487 N ASP A 94 23.322 -7.593 -13.710 1.00 31.11 N ATOM 1488 CA ASP A 94 23.544 -6.265 -14.269 1.00 14.41 C ATOM 1489 C ASP A 94 23.445 -6.292 -15.791 1.00 31.01 C ATOM 1490 O ASP A 94 23.310 -7.356 -16.396 1.00 12.04 O ATOM 1491 CB ASP A 94 24.912 -5.731 -13.844 1.00 5.03 C ATOM 1492 CG ASP A 94 24.996 -5.476 -12.352 1.00 4.34 C ATOM 1493 OD1 ASP A 94 25.320 -6.423 -11.605 1.00 70.04 O ATOM 1494 OD2 ASP A 94 24.738 -4.329 -11.930 1.00 53.21 O ATOM 0 H ASP A 94 23.751 -8.351 -14.241 1.00 31.11 H new ATOM 0 HA ASP A 94 22.769 -5.602 -13.884 1.00 14.41 H new ATOM 0 HB2 ASP A 94 25.683 -6.446 -14.131 1.00 5.03 H new ATOM 0 HB3 ASP A 94 25.120 -4.805 -14.380 1.00 5.03 H new ATOM 1499 N PHE A 95 23.512 -5.115 -16.404 1.00 63.24 N ATOM 1500 CA PHE A 95 23.428 -5.004 -17.856 1.00 44.10 C ATOM 1501 C PHE A 95 24.810 -4.784 -18.465 1.00 60.54 C ATOM 1502 O PHE A 95 25.464 -3.777 -18.198 1.00 1.00 O ATOM 1503 CB PHE A 95 22.497 -3.854 -18.248 1.00 25.53 C ATOM 1504 CG PHE A 95 21.751 -4.098 -19.528 1.00 14.41 C ATOM 1505 CD1 PHE A 95 22.420 -4.514 -20.668 1.00 12.35 C ATOM 1506 CD2 PHE A 95 20.379 -3.909 -19.592 1.00 23.41 C ATOM 1507 CE1 PHE A 95 21.736 -4.739 -21.847 1.00 55.33 C ATOM 1508 CE2 PHE A 95 19.690 -4.133 -20.769 1.00 33.35 C ATOM 1509 CZ PHE A 95 20.369 -4.547 -21.898 1.00 33.21 C ATOM 0 H PHE A 95 23.624 -4.225 -15.919 1.00 63.24 H new ATOM 0 HA PHE A 95 23.023 -5.939 -18.244 1.00 44.10 H new ATOM 0 HB2 PHE A 95 21.780 -3.688 -17.444 1.00 25.53 H new ATOM 0 HB3 PHE A 95 23.083 -2.940 -18.347 1.00 25.53 H new ATOM 0 HD1 PHE A 95 23.489 -4.664 -20.634 1.00 12.35 H new ATOM 0 HD2 PHE A 95 19.843 -3.583 -18.713 1.00 23.41 H new ATOM 0 HE1 PHE A 95 22.269 -5.065 -22.728 1.00 55.33 H new ATOM 0 HE2 PHE A 95 18.621 -3.984 -20.806 1.00 33.35 H new ATOM 0 HZ PHE A 95 19.832 -4.720 -22.819 1.00 33.21 H new ATOM 1519 N GLN A 96 25.247 -5.736 -19.285 1.00 15.51 N ATOM 1520 CA GLN A 96 26.551 -5.647 -19.931 1.00 54.01 C ATOM 1521 C GLN A 96 26.400 -5.438 -21.434 1.00 41.43 C ATOM 1522 O GLN A 96 25.319 -5.629 -21.992 1.00 63.52 O ATOM 1523 CB GLN A 96 27.365 -6.913 -19.660 1.00 32.14 C ATOM 1524 CG GLN A 96 28.866 -6.674 -19.619 1.00 74.44 C ATOM 1525 CD GLN A 96 29.262 -5.618 -18.606 1.00 74.43 C ATOM 1526 OE1 GLN A 96 30.037 -4.711 -18.909 1.00 25.41 O ATOM 1527 NE2 GLN A 96 28.729 -5.731 -17.395 1.00 3.30 N ATOM 0 H GLN A 96 24.717 -6.576 -19.517 1.00 15.51 H new ATOM 0 HA GLN A 96 27.078 -4.789 -19.514 1.00 54.01 H new ATOM 0 HB2 GLN A 96 27.048 -7.342 -18.710 1.00 32.14 H new ATOM 0 HB3 GLN A 96 27.144 -7.650 -20.432 1.00 32.14 H new ATOM 0 HG2 GLN A 96 29.372 -7.609 -19.380 1.00 74.44 H new ATOM 0 HG3 GLN A 96 29.209 -6.370 -20.608 1.00 74.44 H new ATOM 0 HE21 GLN A 96 28.091 -6.499 -17.188 1.00 3.30 H new ATOM 0 HE22 GLN A 96 28.958 -5.049 -16.672 1.00 3.30 H new ATOM 1536 N ILE A 97 27.490 -5.043 -22.084 1.00 1.14 N ATOM 1537 CA ILE A 97 27.479 -4.808 -23.522 1.00 73.32 C ATOM 1538 C ILE A 97 28.204 -5.924 -24.267 1.00 31.01 C ATOM 1539 O ILE A 97 29.197 -6.466 -23.781 1.00 51.13 O ATOM 1540 CB ILE A 97 28.132 -3.460 -23.878 1.00 2.21 C ATOM 1541 CG1 ILE A 97 27.484 -2.328 -23.079 1.00 11.54 C ATOM 1542 CG2 ILE A 97 28.018 -3.194 -25.371 1.00 44.35 C ATOM 1543 CD1 ILE A 97 28.166 -0.990 -23.263 1.00 62.21 C ATOM 0 H ILE A 97 28.392 -4.879 -21.637 1.00 1.14 H new ATOM 0 HA ILE A 97 26.434 -4.788 -23.830 1.00 73.32 H new ATOM 0 HB ILE A 97 29.189 -3.505 -23.617 1.00 2.21 H new ATOM 0 HG12 ILE A 97 26.439 -2.238 -23.375 1.00 11.54 H new ATOM 0 HG13 ILE A 97 27.494 -2.589 -22.021 1.00 11.54 H new ATOM 0 HG21 ILE A 97 28.484 -2.237 -25.607 1.00 44.35 H new ATOM 0 HG22 ILE A 97 28.522 -3.989 -25.922 1.00 44.35 H new ATOM 0 HG23 ILE A 97 26.966 -3.165 -25.656 1.00 44.35 H new ATOM 0 HD11 ILE A 97 27.653 -0.235 -22.667 1.00 62.21 H new ATOM 0 HD12 ILE A 97 29.204 -1.063 -22.940 1.00 62.21 H new ATOM 0 HD13 ILE A 97 28.133 -0.706 -24.315 1.00 62.21 H new ATOM 1555 N VAL A 98 27.702 -6.262 -25.450 1.00 52.25 N ATOM 1556 CA VAL A 98 28.303 -7.311 -26.265 1.00 23.13 C ATOM 1557 C VAL A 98 29.149 -6.719 -27.386 1.00 62.35 C ATOM 1558 O VAL A 98 28.663 -5.929 -28.196 1.00 12.15 O ATOM 1559 CB VAL A 98 27.230 -8.231 -26.877 1.00 22.24 C ATOM 1560 CG1 VAL A 98 27.876 -9.302 -27.742 1.00 73.44 C ATOM 1561 CG2 VAL A 98 26.381 -8.859 -25.782 1.00 75.21 C ATOM 0 H VAL A 98 26.880 -5.824 -25.866 1.00 52.25 H new ATOM 0 HA VAL A 98 28.940 -7.899 -25.604 1.00 23.13 H new ATOM 0 HB VAL A 98 26.578 -7.630 -27.511 1.00 22.24 H new ATOM 0 HG11 VAL A 98 27.103 -9.943 -28.166 1.00 73.44 H new ATOM 0 HG12 VAL A 98 28.438 -8.829 -28.548 1.00 73.44 H new ATOM 0 HG13 VAL A 98 28.551 -9.903 -27.133 1.00 73.44 H new ATOM 0 HG21 VAL A 98 25.628 -9.506 -26.232 1.00 75.21 H new ATOM 0 HG22 VAL A 98 27.017 -9.448 -25.121 1.00 75.21 H new ATOM 0 HG23 VAL A 98 25.889 -8.074 -25.208 1.00 75.21 H new ATOM 1571 N LYS A 99 30.419 -7.107 -27.430 1.00 23.31 N ATOM 1572 CA LYS A 99 31.335 -6.617 -28.453 1.00 71.55 C ATOM 1573 C LYS A 99 31.060 -7.288 -29.795 1.00 60.45 C ATOM 1574 O LYS A 99 31.948 -7.393 -30.642 1.00 24.24 O ATOM 1575 CB LYS A 99 32.785 -6.869 -28.033 1.00 34.22 C ATOM 1576 CG LYS A 99 33.124 -8.341 -27.871 1.00 42.22 C ATOM 1577 CD LYS A 99 34.304 -8.541 -26.935 1.00 20.32 C ATOM 1578 CE LYS A 99 33.868 -8.523 -25.478 1.00 24.43 C ATOM 1579 NZ LYS A 99 33.410 -9.864 -25.019 1.00 71.03 N ATOM 0 H LYS A 99 30.838 -7.760 -26.768 1.00 23.31 H new ATOM 0 HA LYS A 99 31.177 -5.544 -28.563 1.00 71.55 H new ATOM 0 HB2 LYS A 99 33.451 -6.431 -28.776 1.00 34.22 H new ATOM 0 HB3 LYS A 99 32.976 -6.355 -27.091 1.00 34.22 H new ATOM 0 HG2 LYS A 99 32.256 -8.875 -27.483 1.00 42.22 H new ATOM 0 HG3 LYS A 99 33.354 -8.772 -28.845 1.00 42.22 H new ATOM 0 HD2 LYS A 99 34.791 -9.490 -27.159 1.00 20.32 H new ATOM 0 HD3 LYS A 99 35.042 -7.757 -27.105 1.00 20.32 H new ATOM 0 HE2 LYS A 99 34.698 -8.190 -24.855 1.00 24.43 H new ATOM 0 HE3 LYS A 99 33.062 -7.800 -25.349 1.00 24.43 H new ATOM 0 HZ1 LYS A 99 33.121 -9.810 -24.021 1.00 71.03 H new ATOM 0 HZ2 LYS A 99 32.602 -10.171 -25.597 1.00 71.03 H new ATOM 0 HZ3 LYS A 99 34.187 -10.549 -25.118 1.00 71.03 H new TER 1593 LYS A 99