USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=17 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 71 SER OG : rot 127:sc= 1.32 USER MOD Set 1.2: A 74 SER OG : rot 44:sc= 1.73 USER MOD Set 2.1: A 63 GLN : amide:sc= 0.025 K(o=0.025,f=-1.1) USER MOD Set 2.2: A 64 LYS NZ :NH3+ -156:sc= 0 (180deg=0) USER MOD Set 3.1: A 57 SER OG : rot 180:sc= -0.335 USER MOD Set 3.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 43 THR OG1 : rot -143:sc= 1.93 USER MOD Set 4.2: A 47 THR OG1 : rot -139:sc= 0.801 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0902 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.553 K(o=-0.55,f=-3.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00418 USER MOD Single : A 9 SER OG : rot 39:sc= 0.814 USER MOD Single : A 12 TYR OH : rot 90:sc= -1.23 USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= -0.199 (180deg=-1.15) USER MOD Single : A 19 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.51! USER MOD Single : A 28 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.9) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.539 K(o=-0.54,f=-2.3!) USER MOD Single : A 42 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.37) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 145:sc= 0.186 (180deg=-0.77) USER MOD Single : A 53 GLN : amide:sc= -0.129 K(o=-0.13,f=-3.8!) USER MOD Single : A 62 MET CE :methyl -118:sc= -2.63 (180deg=-10!) USER MOD Single : A 68 THR OG1 : rot -68:sc= 0.88 USER MOD Single : A 75 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.04) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0253 K(o=-0.025,f=-2.8!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.582 K(o=-0.58,f=-1.9) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.881 2.011 -10.658 1.00 5.33 N ATOM 2 CA GLY A 1 -1.962 1.091 -10.013 1.00 11.21 C ATOM 3 C GLY A 1 -1.115 0.324 -11.009 1.00 35.21 C ATOM 4 O GLY A 1 -1.290 0.463 -12.219 1.00 60.01 O ATOM 0 H1 GLY A 1 -2.679 2.981 -10.343 1.00 5.33 H new ATOM 0 H2 GLY A 1 -2.765 1.951 -11.690 1.00 5.33 H new ATOM 0 H3 GLY A 1 -3.858 1.761 -10.404 1.00 5.33 H new ATOM 0 HA2 GLY A 1 -1.310 1.646 -9.338 1.00 11.21 H new ATOM 0 HA3 GLY A 1 -2.527 0.386 -9.402 1.00 11.21 H new ATOM 8 N ALA A 2 -0.194 -0.487 -10.499 1.00 74.32 N ATOM 9 CA ALA A 2 0.682 -1.280 -11.353 1.00 3.44 C ATOM 10 C ALA A 2 0.427 -2.772 -11.167 1.00 41.43 C ATOM 11 O ALA A 2 -0.293 -3.178 -10.256 1.00 72.34 O ATOM 12 CB ALA A 2 2.139 -0.951 -11.062 1.00 63.32 C ATOM 0 H ALA A 2 -0.035 -0.612 -9.499 1.00 74.32 H new ATOM 0 HA ALA A 2 0.463 -1.028 -12.391 1.00 3.44 H new ATOM 0 HB1 ALA A 2 2.783 -1.550 -11.706 1.00 63.32 H new ATOM 0 HB2 ALA A 2 2.318 0.107 -11.253 1.00 63.32 H new ATOM 0 HB3 ALA A 2 2.361 -1.174 -10.019 1.00 63.32 H new ATOM 18 N GLU A 3 1.022 -3.582 -12.037 1.00 50.35 N ATOM 19 CA GLU A 3 0.857 -5.029 -11.969 1.00 54.12 C ATOM 20 C GLU A 3 1.577 -5.602 -10.752 1.00 11.10 C ATOM 21 O GLU A 3 0.949 -6.148 -9.846 1.00 2.34 O ATOM 22 CB GLU A 3 1.387 -5.686 -13.245 1.00 52.23 C ATOM 23 CG GLU A 3 0.756 -5.143 -14.517 1.00 2.14 C ATOM 24 CD GLU A 3 1.205 -5.892 -15.756 1.00 73.13 C ATOM 25 OE1 GLU A 3 1.834 -6.961 -15.609 1.00 51.44 O ATOM 26 OE2 GLU A 3 0.926 -5.409 -16.874 1.00 32.31 O ATOM 0 H GLU A 3 1.622 -3.261 -12.797 1.00 50.35 H new ATOM 0 HA GLU A 3 -0.208 -5.243 -11.874 1.00 54.12 H new ATOM 0 HB2 GLU A 3 2.466 -5.544 -13.296 1.00 52.23 H new ATOM 0 HB3 GLU A 3 1.209 -6.760 -13.191 1.00 52.23 H new ATOM 0 HG2 GLU A 3 -0.329 -5.203 -14.434 1.00 2.14 H new ATOM 0 HG3 GLU A 3 1.010 -4.088 -14.623 1.00 2.14 H new ATOM 33 N GLY A 4 2.900 -5.474 -10.740 1.00 3.31 N ATOM 34 CA GLY A 4 3.685 -5.984 -9.631 1.00 10.32 C ATOM 35 C GLY A 4 5.089 -6.376 -10.046 1.00 1.12 C ATOM 36 O GLY A 4 5.688 -5.739 -10.911 1.00 62.13 O ATOM 0 H GLY A 4 3.442 -5.026 -11.479 1.00 3.31 H new ATOM 0 HA2 GLY A 4 3.739 -5.226 -8.849 1.00 10.32 H new ATOM 0 HA3 GLY A 4 3.181 -6.850 -9.201 1.00 10.32 H new ATOM 40 N ASN A 5 5.616 -7.427 -9.426 1.00 1.34 N ATOM 41 CA ASN A 5 6.960 -7.901 -9.734 1.00 61.42 C ATOM 42 C ASN A 5 6.921 -8.988 -10.805 1.00 11.41 C ATOM 43 O ASN A 5 7.524 -10.050 -10.650 1.00 61.15 O ATOM 44 CB ASN A 5 7.636 -8.439 -8.471 1.00 41.12 C ATOM 45 CG ASN A 5 6.765 -9.432 -7.727 1.00 15.23 C ATOM 46 OD1 ASN A 5 5.998 -10.180 -8.334 1.00 43.33 O ATOM 47 ND2 ASN A 5 6.878 -9.443 -6.404 1.00 11.33 N ATOM 0 H ASN A 5 5.133 -7.966 -8.708 1.00 1.34 H new ATOM 0 HA ASN A 5 7.537 -7.059 -10.116 1.00 61.42 H new ATOM 0 HB2 ASN A 5 8.577 -8.917 -8.742 1.00 41.12 H new ATOM 0 HB3 ASN A 5 7.880 -7.607 -7.810 1.00 41.12 H new ATOM 0 HD21 ASN A 5 6.316 -10.089 -5.850 1.00 11.33 H new ATOM 0 HD22 ASN A 5 7.527 -8.805 -5.942 1.00 11.33 H new ATOM 54 N THR A 6 6.207 -8.714 -11.892 1.00 51.54 N ATOM 55 CA THR A 6 6.088 -9.666 -12.989 1.00 30.32 C ATOM 56 C THR A 6 7.398 -9.785 -13.758 1.00 64.15 C ATOM 57 O THR A 6 7.617 -9.081 -14.745 1.00 1.41 O ATOM 58 CB THR A 6 4.967 -9.262 -13.965 1.00 62.21 C ATOM 59 OG1 THR A 6 3.896 -8.636 -13.250 1.00 22.44 O ATOM 60 CG2 THR A 6 4.441 -10.476 -14.717 1.00 12.52 C ATOM 0 H THR A 6 5.702 -7.840 -12.036 1.00 51.54 H new ATOM 0 HA THR A 6 5.842 -10.631 -12.545 1.00 30.32 H new ATOM 0 HB THR A 6 5.381 -8.558 -14.687 1.00 62.21 H new ATOM 0 HG1 THR A 6 3.188 -8.381 -13.878 1.00 22.44 H new ATOM 0 HG21 THR A 6 3.650 -10.166 -15.400 1.00 12.52 H new ATOM 0 HG22 THR A 6 5.252 -10.932 -15.284 1.00 12.52 H new ATOM 0 HG23 THR A 6 4.043 -11.200 -14.006 1.00 12.52 H new ATOM 68 N LEU A 7 8.268 -10.680 -13.303 1.00 35.52 N ATOM 69 CA LEU A 7 9.558 -10.892 -13.950 1.00 32.43 C ATOM 70 C LEU A 7 9.392 -11.661 -15.257 1.00 31.24 C ATOM 71 O LEU A 7 8.888 -12.785 -15.267 1.00 45.14 O ATOM 72 CB LEU A 7 10.501 -11.651 -13.014 1.00 72.45 C ATOM 73 CG LEU A 7 10.874 -10.938 -11.714 1.00 63.25 C ATOM 74 CD1 LEU A 7 11.582 -11.893 -10.766 1.00 30.30 C ATOM 75 CD2 LEU A 7 11.747 -9.726 -12.003 1.00 45.22 C ATOM 0 H LEU A 7 8.103 -11.271 -12.488 1.00 35.52 H new ATOM 0 HA LEU A 7 9.988 -9.916 -14.177 1.00 32.43 H new ATOM 0 HB2 LEU A 7 10.039 -12.606 -12.762 1.00 72.45 H new ATOM 0 HB3 LEU A 7 11.418 -11.875 -13.558 1.00 72.45 H new ATOM 0 HG LEU A 7 9.958 -10.595 -11.234 1.00 63.25 H new ATOM 0 HD11 LEU A 7 11.840 -11.368 -9.846 1.00 30.30 H new ATOM 0 HD12 LEU A 7 10.923 -12.730 -10.534 1.00 30.30 H new ATOM 0 HD13 LEU A 7 12.491 -12.267 -11.238 1.00 30.30 H new ATOM 0 HD21 LEU A 7 12.003 -9.230 -11.067 1.00 45.22 H new ATOM 0 HD22 LEU A 7 12.660 -10.046 -12.505 1.00 45.22 H new ATOM 0 HD23 LEU A 7 11.205 -9.031 -12.644 1.00 45.22 H new ATOM 87 N ILE A 8 9.820 -11.049 -16.355 1.00 61.15 N ATOM 88 CA ILE A 8 9.722 -11.678 -17.667 1.00 12.41 C ATOM 89 C ILE A 8 11.010 -11.494 -18.462 1.00 71.23 C ATOM 90 O ILE A 8 11.969 -10.891 -17.980 1.00 74.03 O ATOM 91 CB ILE A 8 8.545 -11.106 -18.479 1.00 14.54 C ATOM 92 CG1 ILE A 8 8.698 -9.592 -18.643 1.00 60.13 C ATOM 93 CG2 ILE A 8 7.223 -11.439 -17.802 1.00 43.03 C ATOM 94 CD1 ILE A 8 8.075 -9.056 -19.913 1.00 62.34 C ATOM 0 H ILE A 8 10.238 -10.119 -16.363 1.00 61.15 H new ATOM 0 HA ILE A 8 9.552 -12.741 -17.496 1.00 12.41 H new ATOM 0 HB ILE A 8 8.550 -11.563 -19.469 1.00 14.54 H new ATOM 0 HG12 ILE A 8 8.243 -9.094 -17.787 1.00 60.13 H new ATOM 0 HG13 ILE A 8 9.758 -9.339 -18.633 1.00 60.13 H new ATOM 0 HG21 ILE A 8 6.401 -11.028 -18.388 1.00 43.03 H new ATOM 0 HG22 ILE A 8 7.113 -12.521 -17.731 1.00 43.03 H new ATOM 0 HG23 ILE A 8 7.207 -11.007 -16.802 1.00 43.03 H new ATOM 0 HD11 ILE A 8 8.221 -7.977 -19.963 1.00 62.34 H new ATOM 0 HD12 ILE A 8 8.546 -9.526 -20.776 1.00 62.34 H new ATOM 0 HD13 ILE A 8 7.008 -9.278 -19.916 1.00 62.34 H new ATOM 106 N SER A 9 11.024 -12.017 -19.684 1.00 70.22 N ATOM 107 CA SER A 9 12.195 -11.913 -20.547 1.00 1.02 C ATOM 108 C SER A 9 11.794 -11.975 -22.017 1.00 72.24 C ATOM 109 O SER A 9 11.396 -13.026 -22.521 1.00 11.05 O ATOM 110 CB SER A 9 13.189 -13.032 -20.230 1.00 2.10 C ATOM 111 OG SER A 9 12.663 -14.298 -20.589 1.00 4.04 O ATOM 0 H SER A 9 10.238 -12.517 -20.099 1.00 70.22 H new ATOM 0 HA SER A 9 12.670 -10.950 -20.359 1.00 1.02 H new ATOM 0 HB2 SER A 9 14.122 -12.857 -20.766 1.00 2.10 H new ATOM 0 HB3 SER A 9 13.426 -13.022 -19.166 1.00 2.10 H new ATOM 0 HG SER A 9 12.164 -14.219 -21.428 1.00 4.04 H new ATOM 117 N VAL A 10 11.901 -10.841 -22.702 1.00 43.21 N ATOM 118 CA VAL A 10 11.551 -10.765 -24.115 1.00 42.24 C ATOM 119 C VAL A 10 12.720 -10.243 -24.944 1.00 32.12 C ATOM 120 O VAL A 10 13.348 -9.245 -24.590 1.00 63.30 O ATOM 121 CB VAL A 10 10.329 -9.856 -24.343 1.00 13.23 C ATOM 122 CG1 VAL A 10 10.615 -8.444 -23.854 1.00 34.12 C ATOM 123 CG2 VAL A 10 9.935 -9.851 -25.812 1.00 41.51 C ATOM 0 H VAL A 10 12.228 -9.962 -22.301 1.00 43.21 H new ATOM 0 HA VAL A 10 11.306 -11.778 -24.435 1.00 42.24 H new ATOM 0 HB VAL A 10 9.492 -10.251 -23.768 1.00 13.23 H new ATOM 0 HG11 VAL A 10 9.740 -7.816 -24.023 1.00 34.12 H new ATOM 0 HG12 VAL A 10 10.844 -8.467 -22.789 1.00 34.12 H new ATOM 0 HG13 VAL A 10 11.466 -8.035 -24.399 1.00 34.12 H new ATOM 0 HG21 VAL A 10 9.070 -9.204 -25.954 1.00 41.51 H new ATOM 0 HG22 VAL A 10 10.767 -9.481 -26.411 1.00 41.51 H new ATOM 0 HG23 VAL A 10 9.685 -10.865 -26.125 1.00 41.51 H new ATOM 133 N ASP A 11 13.005 -10.924 -26.048 1.00 43.12 N ATOM 134 CA ASP A 11 14.098 -10.528 -26.929 1.00 61.42 C ATOM 135 C ASP A 11 13.563 -10.017 -28.263 1.00 71.21 C ATOM 136 O ASP A 11 12.458 -10.370 -28.677 1.00 22.34 O ATOM 137 CB ASP A 11 15.045 -11.707 -27.163 1.00 52.42 C ATOM 138 CG ASP A 11 16.473 -11.262 -27.409 1.00 1.31 C ATOM 139 OD1 ASP A 11 16.848 -10.176 -26.920 1.00 42.31 O ATOM 140 OD2 ASP A 11 17.216 -11.999 -28.091 1.00 34.11 O ATOM 0 H ASP A 11 12.495 -11.752 -26.354 1.00 43.12 H new ATOM 0 HA ASP A 11 14.648 -9.720 -26.445 1.00 61.42 H new ATOM 0 HB2 ASP A 11 15.018 -12.369 -26.297 1.00 52.42 H new ATOM 0 HB3 ASP A 11 14.695 -12.286 -28.018 1.00 52.42 H new ATOM 145 N TYR A 12 14.352 -9.184 -28.931 1.00 4.40 N ATOM 146 CA TYR A 12 13.957 -8.621 -30.216 1.00 54.25 C ATOM 147 C TYR A 12 15.154 -8.004 -30.933 1.00 61.42 C ATOM 148 O TYR A 12 16.231 -7.862 -30.355 1.00 13.42 O ATOM 149 CB TYR A 12 12.867 -7.566 -30.021 1.00 54.41 C ATOM 150 CG TYR A 12 13.152 -6.602 -28.892 1.00 2.15 C ATOM 151 CD1 TYR A 12 14.256 -5.759 -28.933 1.00 54.35 C ATOM 152 CD2 TYR A 12 12.318 -6.534 -27.783 1.00 33.15 C ATOM 153 CE1 TYR A 12 14.521 -4.877 -27.903 1.00 74.43 C ATOM 154 CE2 TYR A 12 12.574 -5.655 -26.748 1.00 42.33 C ATOM 155 CZ TYR A 12 13.677 -4.829 -26.813 1.00 40.11 C ATOM 156 OH TYR A 12 13.937 -3.951 -25.786 1.00 32.34 O ATOM 0 H TYR A 12 15.270 -8.883 -28.604 1.00 4.40 H new ATOM 0 HA TYR A 12 13.565 -9.430 -30.832 1.00 54.25 H new ATOM 0 HB2 TYR A 12 12.748 -7.003 -30.947 1.00 54.41 H new ATOM 0 HB3 TYR A 12 11.918 -8.067 -29.829 1.00 54.41 H new ATOM 0 HD1 TYR A 12 14.919 -5.794 -29.785 1.00 54.35 H new ATOM 0 HD2 TYR A 12 11.454 -7.180 -27.729 1.00 33.15 H new ATOM 0 HE1 TYR A 12 15.384 -4.229 -27.951 1.00 74.43 H new ATOM 0 HE2 TYR A 12 11.915 -5.615 -25.894 1.00 42.33 H new ATOM 0 HH TYR A 12 13.491 -3.097 -25.965 1.00 32.34 H new ATOM 166 N GLU A 13 14.956 -7.641 -32.197 1.00 4.45 N ATOM 167 CA GLU A 13 16.020 -7.040 -32.993 1.00 53.40 C ATOM 168 C GLU A 13 15.593 -5.676 -33.529 1.00 63.14 C ATOM 169 O GLU A 13 15.086 -5.568 -34.646 1.00 44.33 O ATOM 170 CB GLU A 13 16.400 -7.960 -34.154 1.00 61.43 C ATOM 171 CG GLU A 13 15.205 -8.477 -34.938 1.00 62.00 C ATOM 172 CD GLU A 13 15.525 -8.712 -36.402 1.00 12.24 C ATOM 173 OE1 GLU A 13 16.716 -8.638 -36.769 1.00 11.23 O ATOM 174 OE2 GLU A 13 14.583 -8.970 -37.180 1.00 14.21 O ATOM 0 H GLU A 13 14.070 -7.752 -32.691 1.00 4.45 H new ATOM 0 HA GLU A 13 16.888 -6.903 -32.349 1.00 53.40 H new ATOM 0 HB2 GLU A 13 17.063 -7.421 -34.831 1.00 61.43 H new ATOM 0 HB3 GLU A 13 16.963 -8.808 -33.765 1.00 61.43 H new ATOM 0 HG2 GLU A 13 14.858 -9.409 -34.492 1.00 62.00 H new ATOM 0 HG3 GLU A 13 14.386 -7.762 -34.859 1.00 62.00 H new ATOM 181 N ILE A 14 15.802 -4.639 -32.725 1.00 71.13 N ATOM 182 CA ILE A 14 15.440 -3.283 -33.119 1.00 30.03 C ATOM 183 C ILE A 14 16.020 -2.934 -34.485 1.00 54.13 C ATOM 184 O ILE A 14 17.127 -3.349 -34.826 1.00 62.44 O ATOM 185 CB ILE A 14 15.928 -2.248 -32.087 1.00 73.53 C ATOM 186 CG1 ILE A 14 15.312 -2.534 -30.716 1.00 25.32 C ATOM 187 CG2 ILE A 14 15.582 -0.840 -32.546 1.00 13.32 C ATOM 188 CD1 ILE A 14 13.800 -2.546 -30.723 1.00 31.14 C ATOM 0 H ILE A 14 16.220 -4.712 -31.797 1.00 71.13 H new ATOM 0 HA ILE A 14 14.352 -3.249 -33.170 1.00 30.03 H new ATOM 0 HB ILE A 14 17.012 -2.325 -32.001 1.00 73.53 H new ATOM 0 HG12 ILE A 14 15.673 -3.498 -30.359 1.00 25.32 H new ATOM 0 HG13 ILE A 14 15.658 -1.782 -30.007 1.00 25.32 H new ATOM 0 HG21 ILE A 14 15.933 -0.120 -31.807 1.00 13.32 H new ATOM 0 HG22 ILE A 14 16.063 -0.641 -33.504 1.00 13.32 H new ATOM 0 HG23 ILE A 14 14.502 -0.749 -32.657 1.00 13.32 H new ATOM 0 HD11 ILE A 14 13.433 -2.755 -29.718 1.00 31.14 H new ATOM 0 HD12 ILE A 14 13.430 -1.574 -31.050 1.00 31.14 H new ATOM 0 HD13 ILE A 14 13.445 -3.318 -31.406 1.00 31.14 H new ATOM 200 N PHE A 15 15.264 -2.166 -35.264 1.00 20.33 N ATOM 201 CA PHE A 15 15.703 -1.760 -36.594 1.00 13.33 C ATOM 202 C PHE A 15 16.265 -0.341 -36.571 1.00 74.30 C ATOM 203 O PHE A 15 16.482 0.235 -35.506 1.00 55.42 O ATOM 204 CB PHE A 15 14.540 -1.844 -37.585 1.00 64.22 C ATOM 205 CG PHE A 15 13.728 -3.100 -37.451 1.00 61.40 C ATOM 206 CD1 PHE A 15 14.346 -4.340 -37.412 1.00 42.11 C ATOM 207 CD2 PHE A 15 12.347 -3.042 -37.363 1.00 54.12 C ATOM 208 CE1 PHE A 15 13.601 -5.497 -37.290 1.00 31.45 C ATOM 209 CE2 PHE A 15 11.596 -4.196 -37.240 1.00 40.00 C ATOM 210 CZ PHE A 15 12.224 -5.425 -37.202 1.00 63.31 C ATOM 0 H PHE A 15 14.345 -1.813 -34.997 1.00 20.33 H new ATOM 0 HA PHE A 15 16.493 -2.440 -36.913 1.00 13.33 H new ATOM 0 HB2 PHE A 15 13.888 -0.982 -37.442 1.00 64.22 H new ATOM 0 HB3 PHE A 15 14.933 -1.781 -38.600 1.00 64.22 H new ATOM 0 HD1 PHE A 15 15.422 -4.402 -37.478 1.00 42.11 H new ATOM 0 HD2 PHE A 15 11.851 -2.083 -37.391 1.00 54.12 H new ATOM 0 HE1 PHE A 15 14.095 -6.457 -37.263 1.00 31.45 H new ATOM 0 HE2 PHE A 15 10.520 -4.136 -37.174 1.00 40.00 H new ATOM 0 HZ PHE A 15 11.640 -6.328 -37.104 1.00 63.31 H new ATOM 220 N GLY A 16 16.499 0.215 -37.756 1.00 12.22 N ATOM 221 CA GLY A 16 17.034 1.561 -37.850 1.00 60.25 C ATOM 222 C GLY A 16 18.393 1.598 -38.520 1.00 5.30 C ATOM 223 O GLY A 16 18.827 0.614 -39.119 1.00 34.41 O ATOM 0 H GLY A 16 16.328 -0.242 -38.652 1.00 12.22 H new ATOM 0 HA2 GLY A 16 16.339 2.187 -38.410 1.00 60.25 H new ATOM 0 HA3 GLY A 16 17.113 1.988 -36.850 1.00 60.25 H new ATOM 227 N LYS A 17 19.069 2.738 -38.421 1.00 12.22 N ATOM 228 CA LYS A 17 20.387 2.902 -39.022 1.00 22.23 C ATOM 229 C LYS A 17 21.486 2.523 -38.034 1.00 1.22 C ATOM 230 O LYS A 17 22.469 3.247 -37.876 1.00 1.43 O ATOM 231 CB LYS A 17 20.582 4.346 -39.489 1.00 10.14 C ATOM 232 CG LYS A 17 20.544 5.361 -38.359 1.00 63.21 C ATOM 233 CD LYS A 17 21.412 6.570 -38.666 1.00 64.51 C ATOM 234 CE LYS A 17 22.860 6.334 -38.262 1.00 35.42 C ATOM 235 NZ LYS A 17 23.656 5.743 -39.372 1.00 64.54 N ATOM 0 H LYS A 17 18.725 3.563 -37.929 1.00 12.22 H new ATOM 0 HA LYS A 17 20.451 2.237 -39.883 1.00 22.23 H new ATOM 0 HB2 LYS A 17 21.538 4.426 -40.006 1.00 10.14 H new ATOM 0 HB3 LYS A 17 19.806 4.593 -40.214 1.00 10.14 H new ATOM 0 HG2 LYS A 17 19.516 5.683 -38.192 1.00 63.21 H new ATOM 0 HG3 LYS A 17 20.885 4.892 -37.436 1.00 63.21 H new ATOM 0 HD2 LYS A 17 21.362 6.794 -39.732 1.00 64.51 H new ATOM 0 HD3 LYS A 17 21.024 7.441 -38.139 1.00 64.51 H new ATOM 0 HE2 LYS A 17 23.310 7.278 -37.955 1.00 35.42 H new ATOM 0 HE3 LYS A 17 22.892 5.670 -37.398 1.00 35.42 H new ATOM 0 HZ1 LYS A 17 24.647 6.048 -39.290 1.00 64.54 H new ATOM 0 HZ2 LYS A 17 23.608 4.705 -39.319 1.00 64.54 H new ATOM 0 HZ3 LYS A 17 23.270 6.062 -40.284 1.00 64.54 H new ATOM 249 N VAL A 18 21.314 1.383 -37.372 1.00 52.31 N ATOM 250 CA VAL A 18 22.292 0.907 -36.402 1.00 3.34 C ATOM 251 C VAL A 18 23.425 0.153 -37.088 1.00 44.13 C ATOM 252 O VAL A 18 23.715 -0.994 -36.749 1.00 2.32 O ATOM 253 CB VAL A 18 21.640 -0.012 -35.352 1.00 62.41 C ATOM 254 CG1 VAL A 18 20.692 0.779 -34.464 1.00 22.21 C ATOM 255 CG2 VAL A 18 20.913 -1.163 -36.031 1.00 14.10 C ATOM 0 H VAL A 18 20.506 0.772 -37.490 1.00 52.31 H new ATOM 0 HA VAL A 18 22.696 1.787 -35.902 1.00 3.34 H new ATOM 0 HB VAL A 18 22.425 -0.429 -34.722 1.00 62.41 H new ATOM 0 HG11 VAL A 18 20.241 0.113 -33.729 1.00 22.21 H new ATOM 0 HG12 VAL A 18 21.245 1.565 -33.950 1.00 22.21 H new ATOM 0 HG13 VAL A 18 19.909 1.227 -35.076 1.00 22.21 H new ATOM 0 HG21 VAL A 18 20.458 -1.803 -35.275 1.00 14.10 H new ATOM 0 HG22 VAL A 18 20.137 -0.767 -36.686 1.00 14.10 H new ATOM 0 HG23 VAL A 18 21.622 -1.745 -36.619 1.00 14.10 H new ATOM 265 N GLN A 19 24.063 0.806 -38.055 1.00 74.30 N ATOM 266 CA GLN A 19 25.165 0.196 -38.790 1.00 34.12 C ATOM 267 C GLN A 19 26.452 0.990 -38.597 1.00 64.24 C ATOM 268 O GLN A 19 26.553 2.141 -39.020 1.00 12.05 O ATOM 269 CB GLN A 19 24.825 0.106 -40.279 1.00 33.35 C ATOM 270 CG GLN A 19 24.053 -1.150 -40.651 1.00 53.33 C ATOM 271 CD GLN A 19 23.907 -1.321 -42.150 1.00 75.34 C ATOM 272 OE1 GLN A 19 22.798 -1.286 -42.686 1.00 2.12 O ATOM 273 NE2 GLN A 19 25.028 -1.508 -42.837 1.00 75.52 N ATOM 0 H GLN A 19 23.836 1.756 -38.347 1.00 74.30 H new ATOM 0 HA GLN A 19 25.318 -0.810 -38.399 1.00 34.12 H new ATOM 0 HB2 GLN A 19 24.239 0.980 -40.563 1.00 33.35 H new ATOM 0 HB3 GLN A 19 25.749 0.140 -40.857 1.00 33.35 H new ATOM 0 HG2 GLN A 19 24.562 -2.021 -40.237 1.00 53.33 H new ATOM 0 HG3 GLN A 19 23.064 -1.112 -40.195 1.00 53.33 H new ATOM 0 HE21 GLN A 19 25.925 -1.530 -42.353 1.00 75.52 H new ATOM 0 HE22 GLN A 19 24.992 -1.630 -43.849 1.00 75.52 H new ATOM 282 N GLY A 20 27.436 0.366 -37.956 1.00 44.23 N ATOM 283 CA GLY A 20 28.705 1.030 -37.719 1.00 32.03 C ATOM 284 C GLY A 20 28.613 2.086 -36.635 1.00 34.42 C ATOM 285 O GLY A 20 29.246 3.137 -36.727 1.00 3.14 O ATOM 0 H GLY A 20 27.377 -0.587 -37.597 1.00 44.23 H new ATOM 0 HA2 GLY A 20 29.453 0.288 -37.437 1.00 32.03 H new ATOM 0 HA3 GLY A 20 29.048 1.493 -38.644 1.00 32.03 H new ATOM 289 N VAL A 21 27.820 1.807 -35.605 1.00 74.21 N ATOM 290 CA VAL A 21 27.646 2.741 -34.499 1.00 71.30 C ATOM 291 C VAL A 21 28.073 2.113 -33.177 1.00 63.22 C ATOM 292 O VAL A 21 27.589 1.046 -32.799 1.00 63.43 O ATOM 293 CB VAL A 21 26.183 3.208 -34.384 1.00 32.15 C ATOM 294 CG1 VAL A 21 25.251 2.014 -34.242 1.00 14.42 C ATOM 295 CG2 VAL A 21 26.020 4.164 -33.212 1.00 2.05 C ATOM 0 H VAL A 21 27.288 0.942 -35.514 1.00 74.21 H new ATOM 0 HA VAL A 21 28.279 3.603 -34.710 1.00 71.30 H new ATOM 0 HB VAL A 21 25.917 3.740 -35.297 1.00 32.15 H new ATOM 0 HG11 VAL A 21 24.222 2.363 -34.162 1.00 14.42 H new ATOM 0 HG12 VAL A 21 25.349 1.370 -35.116 1.00 14.42 H new ATOM 0 HG13 VAL A 21 25.514 1.452 -33.346 1.00 14.42 H new ATOM 0 HG21 VAL A 21 24.980 4.484 -33.145 1.00 2.05 H new ATOM 0 HG22 VAL A 21 26.304 3.659 -32.289 1.00 2.05 H new ATOM 0 HG23 VAL A 21 26.659 5.035 -33.361 1.00 2.05 H new ATOM 305 N PHE A 22 28.983 2.782 -32.477 1.00 42.23 N ATOM 306 CA PHE A 22 29.477 2.290 -31.197 1.00 30.34 C ATOM 307 C PHE A 22 28.918 3.118 -30.043 1.00 70.23 C ATOM 308 O PHE A 22 29.605 3.365 -29.052 1.00 12.40 O ATOM 309 CB PHE A 22 31.006 2.323 -31.169 1.00 24.13 C ATOM 310 CG PHE A 22 31.585 3.644 -31.588 1.00 21.00 C ATOM 311 CD1 PHE A 22 31.828 4.637 -30.653 1.00 24.25 C ATOM 312 CD2 PHE A 22 31.886 3.893 -32.917 1.00 62.13 C ATOM 313 CE1 PHE A 22 32.360 5.854 -31.036 1.00 21.51 C ATOM 314 CE2 PHE A 22 32.418 5.108 -33.307 1.00 25.34 C ATOM 315 CZ PHE A 22 32.657 6.089 -32.364 1.00 74.13 C ATOM 0 H PHE A 22 29.393 3.667 -32.775 1.00 42.23 H new ATOM 0 HA PHE A 22 29.141 1.260 -31.078 1.00 30.34 H new ATOM 0 HB2 PHE A 22 31.348 2.089 -30.161 1.00 24.13 H new ATOM 0 HB3 PHE A 22 31.390 1.542 -31.825 1.00 24.13 H new ATOM 0 HD1 PHE A 22 31.599 4.458 -29.613 1.00 24.25 H new ATOM 0 HD2 PHE A 22 31.703 3.129 -33.658 1.00 62.13 H new ATOM 0 HE1 PHE A 22 32.543 6.620 -30.297 1.00 21.51 H new ATOM 0 HE2 PHE A 22 32.646 5.290 -34.347 1.00 25.34 H new ATOM 0 HZ PHE A 22 33.075 7.038 -32.665 1.00 74.13 H new ATOM 325 N PHE A 23 27.667 3.544 -30.181 1.00 32.11 N ATOM 326 CA PHE A 23 27.015 4.346 -29.152 1.00 73.30 C ATOM 327 C PHE A 23 25.969 3.524 -28.404 1.00 53.40 C ATOM 328 O PHE A 23 24.768 3.767 -28.529 1.00 61.40 O ATOM 329 CB PHE A 23 26.360 5.580 -29.776 1.00 31.20 C ATOM 330 CG PHE A 23 27.301 6.739 -29.941 1.00 13.04 C ATOM 331 CD1 PHE A 23 28.302 6.705 -30.897 1.00 62.05 C ATOM 332 CD2 PHE A 23 27.183 7.863 -29.139 1.00 23.12 C ATOM 333 CE1 PHE A 23 29.170 7.770 -31.050 1.00 73.03 C ATOM 334 CE2 PHE A 23 28.048 8.931 -29.287 1.00 53.34 C ATOM 335 CZ PHE A 23 29.042 8.885 -30.245 1.00 75.02 C ATOM 0 H PHE A 23 27.084 3.347 -30.995 1.00 32.11 H new ATOM 0 HA PHE A 23 27.776 4.668 -28.441 1.00 73.30 H new ATOM 0 HB2 PHE A 23 25.952 5.312 -30.751 1.00 31.20 H new ATOM 0 HB3 PHE A 23 25.520 5.890 -29.154 1.00 31.20 H new ATOM 0 HD1 PHE A 23 28.406 5.836 -31.530 1.00 62.05 H new ATOM 0 HD2 PHE A 23 26.406 7.905 -28.390 1.00 23.12 H new ATOM 0 HE1 PHE A 23 29.948 7.730 -31.798 1.00 73.03 H new ATOM 0 HE2 PHE A 23 27.947 9.800 -28.654 1.00 53.34 H new ATOM 0 HZ PHE A 23 29.718 9.719 -30.364 1.00 75.02 H new ATOM 345 N ARG A 24 26.434 2.552 -27.627 1.00 33.31 N ATOM 346 CA ARG A 24 25.539 1.693 -26.860 1.00 23.00 C ATOM 347 C ARG A 24 25.586 2.047 -25.376 1.00 74.34 C ATOM 348 O ARG A 24 25.362 1.195 -24.516 1.00 71.43 O ATOM 349 CB ARG A 24 25.916 0.223 -27.057 1.00 13.33 C ATOM 350 CG ARG A 24 25.611 -0.302 -28.450 1.00 61.10 C ATOM 351 CD ARG A 24 26.339 -1.609 -28.724 1.00 41.22 C ATOM 352 NE ARG A 24 27.748 -1.394 -29.043 1.00 51.25 N ATOM 353 CZ ARG A 24 28.507 -2.292 -29.661 1.00 31.43 C ATOM 354 NH1 ARG A 24 27.995 -3.460 -30.024 1.00 21.45 N ATOM 355 NH2 ARG A 24 29.781 -2.023 -29.917 1.00 32.23 N ATOM 0 H ARG A 24 27.425 2.339 -27.512 1.00 33.31 H new ATOM 0 HA ARG A 24 24.523 1.852 -27.222 1.00 23.00 H new ATOM 0 HB2 ARG A 24 26.980 0.100 -26.856 1.00 13.33 H new ATOM 0 HB3 ARG A 24 25.381 -0.382 -26.325 1.00 13.33 H new ATOM 0 HG2 ARG A 24 24.537 -0.453 -28.556 1.00 61.10 H new ATOM 0 HG3 ARG A 24 25.903 0.441 -29.192 1.00 61.10 H new ATOM 0 HD2 ARG A 24 26.260 -2.258 -27.852 1.00 41.22 H new ATOM 0 HD3 ARG A 24 25.855 -2.127 -29.552 1.00 41.22 H new ATOM 0 HE ARG A 24 28.172 -0.506 -28.777 1.00 51.25 H new ATOM 0 HH11 ARG A 24 27.016 -3.671 -29.829 1.00 21.45 H new ATOM 0 HH12 ARG A 24 28.580 -4.148 -30.498 1.00 21.45 H new ATOM 0 HH21 ARG A 24 30.179 -1.126 -29.639 1.00 32.23 H new ATOM 0 HH22 ARG A 24 30.363 -2.714 -30.392 1.00 32.23 H new ATOM 369 N LYS A 25 25.878 3.309 -25.083 1.00 50.34 N ATOM 370 CA LYS A 25 25.953 3.778 -23.705 1.00 24.34 C ATOM 371 C LYS A 25 24.623 4.378 -23.260 1.00 62.53 C ATOM 372 O LYS A 25 24.294 4.372 -22.074 1.00 33.13 O ATOM 373 CB LYS A 25 27.068 4.816 -23.557 1.00 52.03 C ATOM 374 CG LYS A 25 27.612 4.928 -22.144 1.00 21.43 C ATOM 375 CD LYS A 25 28.615 3.826 -21.844 1.00 34.24 C ATOM 376 CE LYS A 25 29.303 4.048 -20.505 1.00 73.34 C ATOM 377 NZ LYS A 25 30.324 3.001 -20.227 1.00 24.23 N ATOM 0 H LYS A 25 26.067 4.027 -25.783 1.00 50.34 H new ATOM 0 HA LYS A 25 26.176 2.921 -23.069 1.00 24.34 H new ATOM 0 HB2 LYS A 25 27.884 4.559 -24.232 1.00 52.03 H new ATOM 0 HB3 LYS A 25 26.690 5.789 -23.870 1.00 52.03 H new ATOM 0 HG2 LYS A 25 28.088 5.900 -22.012 1.00 21.43 H new ATOM 0 HG3 LYS A 25 26.789 4.876 -21.431 1.00 21.43 H new ATOM 0 HD2 LYS A 25 28.107 2.862 -21.838 1.00 34.24 H new ATOM 0 HD3 LYS A 25 29.362 3.787 -22.636 1.00 34.24 H new ATOM 0 HE2 LYS A 25 29.778 5.029 -20.499 1.00 73.34 H new ATOM 0 HE3 LYS A 25 28.558 4.049 -19.709 1.00 73.34 H new ATOM 0 HZ1 LYS A 25 30.770 3.187 -19.306 1.00 24.23 H new ATOM 0 HZ2 LYS A 25 29.867 2.067 -20.208 1.00 24.23 H new ATOM 0 HZ3 LYS A 25 31.049 3.016 -20.972 1.00 24.23 H new ATOM 391 N HIS A 26 23.862 4.893 -24.220 1.00 54.30 N ATOM 392 CA HIS A 26 22.566 5.495 -23.927 1.00 53.11 C ATOM 393 C HIS A 26 21.495 4.422 -23.755 1.00 12.12 C ATOM 394 O HIS A 26 20.504 4.626 -23.053 1.00 35.41 O ATOM 395 CB HIS A 26 22.163 6.459 -25.044 1.00 23.03 C ATOM 396 CG HIS A 26 21.212 7.527 -24.599 1.00 44.31 C ATOM 397 ND1 HIS A 26 21.568 8.856 -24.496 1.00 33.44 N ATOM 398 CD2 HIS A 26 19.912 7.458 -24.232 1.00 35.44 C ATOM 399 CE1 HIS A 26 20.527 9.556 -24.082 1.00 41.50 C ATOM 400 NE2 HIS A 26 19.509 8.732 -23.915 1.00 20.32 N ATOM 0 H HIS A 26 24.120 4.906 -25.207 1.00 54.30 H new ATOM 0 HA HIS A 26 22.654 6.049 -22.993 1.00 53.11 H new ATOM 0 HB2 HIS A 26 23.060 6.928 -25.449 1.00 23.03 H new ATOM 0 HB3 HIS A 26 21.706 5.892 -25.855 1.00 23.03 H new ATOM 0 HD2 HIS A 26 19.304 6.566 -24.195 1.00 35.44 H new ATOM 0 HE1 HIS A 26 20.511 10.622 -23.909 1.00 41.50 H new ATOM 0 HE2 HIS A 26 18.576 8.998 -23.602 1.00 20.32 H new ATOM 408 N THR A 27 21.700 3.278 -24.401 1.00 5.35 N ATOM 409 CA THR A 27 20.753 2.174 -24.320 1.00 55.34 C ATOM 410 C THR A 27 20.918 1.401 -23.017 1.00 15.31 C ATOM 411 O THR A 27 19.958 0.833 -22.497 1.00 30.21 O ATOM 412 CB THR A 27 20.920 1.203 -25.504 1.00 54.35 C ATOM 413 OG1 THR A 27 19.914 0.185 -25.449 1.00 51.51 O ATOM 414 CG2 THR A 27 22.299 0.562 -25.488 1.00 31.12 C ATOM 0 H THR A 27 22.514 3.093 -24.986 1.00 5.35 H new ATOM 0 HA THR A 27 19.755 2.611 -24.355 1.00 55.34 H new ATOM 0 HB THR A 27 20.812 1.770 -26.428 1.00 54.35 H new ATOM 0 HG1 THR A 27 20.026 -0.427 -26.206 1.00 51.51 H new ATOM 0 HG21 THR A 27 22.393 -0.120 -26.333 1.00 31.12 H new ATOM 0 HG22 THR A 27 23.062 1.337 -25.560 1.00 31.12 H new ATOM 0 HG23 THR A 27 22.432 0.008 -24.559 1.00 31.12 H new ATOM 422 N GLN A 28 22.139 1.386 -22.494 1.00 65.44 N ATOM 423 CA GLN A 28 22.429 0.682 -21.251 1.00 31.44 C ATOM 424 C GLN A 28 22.229 1.597 -20.048 1.00 11.54 C ATOM 425 O GLN A 28 21.944 1.135 -18.944 1.00 33.44 O ATOM 426 CB GLN A 28 23.861 0.145 -21.265 1.00 61.43 C ATOM 427 CG GLN A 28 24.918 1.227 -21.115 1.00 62.33 C ATOM 428 CD GLN A 28 25.208 1.562 -19.666 1.00 4.04 C ATOM 429 OE1 GLN A 28 25.353 0.672 -18.827 1.00 60.34 O ATOM 430 NE2 GLN A 28 25.296 2.852 -19.362 1.00 74.21 N ATOM 0 H GLN A 28 22.944 1.853 -22.912 1.00 65.44 H new ATOM 0 HA GLN A 28 21.736 -0.155 -21.168 1.00 31.44 H new ATOM 0 HB2 GLN A 28 23.977 -0.579 -20.458 1.00 61.43 H new ATOM 0 HB3 GLN A 28 24.031 -0.390 -22.200 1.00 61.43 H new ATOM 0 HG2 GLN A 28 25.838 0.900 -21.600 1.00 62.33 H new ATOM 0 HG3 GLN A 28 24.587 2.127 -21.633 1.00 62.33 H new ATOM 0 HE21 GLN A 28 25.169 3.557 -20.088 1.00 74.21 H new ATOM 0 HE22 GLN A 28 25.491 3.138 -18.402 1.00 74.21 H new ATOM 439 N ALA A 29 22.381 2.899 -20.269 1.00 52.03 N ATOM 440 CA ALA A 29 22.215 3.880 -19.204 1.00 23.22 C ATOM 441 C ALA A 29 20.820 3.799 -18.595 1.00 35.41 C ATOM 442 O ALA A 29 20.666 3.775 -17.374 1.00 70.43 O ATOM 443 CB ALA A 29 22.483 5.282 -19.731 1.00 34.22 C ATOM 0 H ALA A 29 22.619 3.299 -21.177 1.00 52.03 H new ATOM 0 HA ALA A 29 22.938 3.654 -18.420 1.00 23.22 H new ATOM 0 HB1 ALA A 29 22.355 6.004 -18.925 1.00 34.22 H new ATOM 0 HB2 ALA A 29 23.503 5.339 -20.111 1.00 34.22 H new ATOM 0 HB3 ALA A 29 21.783 5.508 -20.535 1.00 34.22 H new ATOM 449 N GLU A 30 19.806 3.757 -19.454 1.00 14.53 N ATOM 450 CA GLU A 30 18.422 3.681 -18.999 1.00 25.35 C ATOM 451 C GLU A 30 18.178 2.393 -18.217 1.00 54.01 C ATOM 452 O GLU A 30 17.518 2.400 -17.179 1.00 1.24 O ATOM 453 CB GLU A 30 17.465 3.757 -20.190 1.00 2.23 C ATOM 454 CG GLU A 30 17.232 5.172 -20.693 1.00 73.30 C ATOM 455 CD GLU A 30 16.735 6.104 -19.605 1.00 21.42 C ATOM 456 OE1 GLU A 30 15.508 6.151 -19.378 1.00 42.40 O ATOM 457 OE2 GLU A 30 17.575 6.785 -18.980 1.00 14.14 O ATOM 0 H GLU A 30 19.917 3.774 -20.468 1.00 14.53 H new ATOM 0 HA GLU A 30 18.236 4.528 -18.339 1.00 25.35 H new ATOM 0 HB2 GLU A 30 17.863 3.152 -21.004 1.00 2.23 H new ATOM 0 HB3 GLU A 30 16.508 3.319 -19.905 1.00 2.23 H new ATOM 0 HG2 GLU A 30 18.161 5.564 -21.106 1.00 73.30 H new ATOM 0 HG3 GLU A 30 16.507 5.150 -21.506 1.00 73.30 H new ATOM 464 N GLY A 31 18.714 1.288 -18.726 1.00 31.32 N ATOM 465 CA GLY A 31 18.542 0.008 -18.064 1.00 64.41 C ATOM 466 C GLY A 31 19.017 0.031 -16.625 1.00 34.14 C ATOM 467 O GLY A 31 18.577 -0.776 -15.805 1.00 1.23 O ATOM 0 H GLY A 31 19.264 1.256 -19.584 1.00 31.32 H new ATOM 0 HA2 GLY A 31 17.489 -0.273 -18.091 1.00 64.41 H new ATOM 0 HA3 GLY A 31 19.091 -0.758 -18.612 1.00 64.41 H new ATOM 471 N LYS A 32 19.918 0.957 -16.315 1.00 72.21 N ATOM 472 CA LYS A 32 20.454 1.083 -14.965 1.00 35.21 C ATOM 473 C LYS A 32 19.504 1.878 -14.075 1.00 11.03 C ATOM 474 O LYS A 32 19.361 1.589 -12.887 1.00 23.35 O ATOM 475 CB LYS A 32 21.825 1.761 -14.999 1.00 61.24 C ATOM 476 CG LYS A 32 22.865 0.990 -15.795 1.00 13.14 C ATOM 477 CD LYS A 32 23.510 -0.102 -14.958 1.00 1.32 C ATOM 478 CE LYS A 32 24.698 0.429 -14.170 1.00 31.23 C ATOM 479 NZ LYS A 32 25.039 -0.453 -13.019 1.00 72.13 N ATOM 0 H LYS A 32 20.293 1.632 -16.981 1.00 72.21 H new ATOM 0 HA LYS A 32 20.562 0.081 -14.549 1.00 35.21 H new ATOM 0 HB2 LYS A 32 21.718 2.758 -15.427 1.00 61.24 H new ATOM 0 HB3 LYS A 32 22.183 1.889 -13.978 1.00 61.24 H new ATOM 0 HG2 LYS A 32 22.397 0.547 -16.674 1.00 13.14 H new ATOM 0 HG3 LYS A 32 23.632 1.676 -16.154 1.00 13.14 H new ATOM 0 HD2 LYS A 32 22.773 -0.519 -14.271 1.00 1.32 H new ATOM 0 HD3 LYS A 32 23.836 -0.915 -15.607 1.00 1.32 H new ATOM 0 HE2 LYS A 32 25.562 0.516 -14.829 1.00 31.23 H new ATOM 0 HE3 LYS A 32 24.473 1.431 -13.805 1.00 31.23 H new ATOM 0 HZ1 LYS A 32 25.853 -0.057 -12.508 1.00 72.13 H new ATOM 0 HZ2 LYS A 32 24.224 -0.516 -12.376 1.00 72.13 H new ATOM 0 HZ3 LYS A 32 25.278 -1.403 -13.368 1.00 72.13 H new ATOM 493 N LYS A 33 18.855 2.881 -14.657 1.00 31.31 N ATOM 494 CA LYS A 33 17.916 3.717 -13.918 1.00 22.30 C ATOM 495 C LYS A 33 16.686 2.917 -13.502 1.00 71.42 C ATOM 496 O LYS A 33 16.345 2.852 -12.320 1.00 52.14 O ATOM 497 CB LYS A 33 17.494 4.918 -14.767 1.00 34.21 C ATOM 498 CG LYS A 33 18.486 6.067 -14.731 1.00 42.04 C ATOM 499 CD LYS A 33 17.858 7.361 -15.220 1.00 42.52 C ATOM 500 CE LYS A 33 16.932 7.962 -14.173 1.00 63.25 C ATOM 501 NZ LYS A 33 16.783 9.434 -14.344 1.00 74.40 N ATOM 0 H LYS A 33 18.962 3.135 -15.639 1.00 31.31 H new ATOM 0 HA LYS A 33 18.416 4.074 -13.018 1.00 22.30 H new ATOM 0 HB2 LYS A 33 17.363 4.594 -15.800 1.00 34.21 H new ATOM 0 HB3 LYS A 33 16.525 5.275 -14.420 1.00 34.21 H new ATOM 0 HG2 LYS A 33 18.852 6.201 -13.713 1.00 42.04 H new ATOM 0 HG3 LYS A 33 19.349 5.823 -15.351 1.00 42.04 H new ATOM 0 HD2 LYS A 33 18.642 8.076 -15.467 1.00 42.52 H new ATOM 0 HD3 LYS A 33 17.299 7.172 -16.136 1.00 42.52 H new ATOM 0 HE2 LYS A 33 15.953 7.488 -14.239 1.00 63.25 H new ATOM 0 HE3 LYS A 33 17.323 7.750 -13.178 1.00 63.25 H new ATOM 0 HZ1 LYS A 33 16.145 9.806 -13.612 1.00 74.40 H new ATOM 0 HZ2 LYS A 33 17.714 9.890 -14.256 1.00 74.40 H new ATOM 0 HZ3 LYS A 33 16.386 9.636 -15.284 1.00 74.40 H new ATOM 515 N LEU A 34 16.024 2.307 -14.480 1.00 1.43 N ATOM 516 CA LEU A 34 14.832 1.509 -14.215 1.00 12.50 C ATOM 517 C LEU A 34 15.172 0.286 -13.370 1.00 70.00 C ATOM 518 O LEU A 34 14.429 -0.078 -12.459 1.00 64.12 O ATOM 519 CB LEU A 34 14.185 1.071 -15.530 1.00 50.31 C ATOM 520 CG LEU A 34 13.482 2.168 -16.330 1.00 52.24 C ATOM 521 CD1 LEU A 34 13.359 1.767 -17.792 1.00 52.11 C ATOM 522 CD2 LEU A 34 12.111 2.464 -15.739 1.00 70.05 C ATOM 0 H LEU A 34 16.293 2.350 -15.463 1.00 1.43 H new ATOM 0 HA LEU A 34 14.127 2.127 -13.659 1.00 12.50 H new ATOM 0 HB2 LEU A 34 14.955 0.626 -16.160 1.00 50.31 H new ATOM 0 HB3 LEU A 34 13.460 0.287 -15.312 1.00 50.31 H new ATOM 0 HG LEU A 34 14.084 3.075 -16.273 1.00 52.24 H new ATOM 0 HD11 LEU A 34 12.856 2.560 -18.346 1.00 52.11 H new ATOM 0 HD12 LEU A 34 14.353 1.606 -18.210 1.00 52.11 H new ATOM 0 HD13 LEU A 34 12.780 0.847 -17.869 1.00 52.11 H new ATOM 0 HD21 LEU A 34 11.625 3.247 -16.321 1.00 70.05 H new ATOM 0 HD22 LEU A 34 11.501 1.561 -15.765 1.00 70.05 H new ATOM 0 HD23 LEU A 34 12.224 2.796 -14.707 1.00 70.05 H new ATOM 534 N GLY A 35 16.302 -0.344 -13.678 1.00 32.03 N ATOM 535 CA GLY A 35 16.722 -1.519 -12.936 1.00 11.50 C ATOM 536 C GLY A 35 16.578 -2.795 -13.741 1.00 12.20 C ATOM 537 O GLY A 35 16.537 -3.891 -13.180 1.00 12.53 O ATOM 0 H GLY A 35 16.934 -0.062 -14.428 1.00 32.03 H new ATOM 0 HA2 GLY A 35 17.762 -1.400 -12.632 1.00 11.50 H new ATOM 0 HA3 GLY A 35 16.130 -1.600 -12.024 1.00 11.50 H new ATOM 541 N LEU A 36 16.499 -2.655 -15.060 1.00 10.24 N ATOM 542 CA LEU A 36 16.357 -3.806 -15.944 1.00 73.11 C ATOM 543 C LEU A 36 17.715 -4.260 -16.470 1.00 54.44 C ATOM 544 O LEU A 36 18.623 -3.449 -16.654 1.00 60.44 O ATOM 545 CB LEU A 36 15.432 -3.464 -17.114 1.00 31.43 C ATOM 546 CG LEU A 36 14.063 -2.894 -16.742 1.00 74.23 C ATOM 547 CD1 LEU A 36 13.332 -2.409 -17.984 1.00 52.54 C ATOM 548 CD2 LEU A 36 13.233 -3.936 -16.006 1.00 71.02 C ATOM 0 H LEU A 36 16.531 -1.756 -15.540 1.00 10.24 H new ATOM 0 HA LEU A 36 15.920 -4.623 -15.369 1.00 73.11 H new ATOM 0 HB2 LEU A 36 15.941 -2.744 -17.755 1.00 31.43 H new ATOM 0 HB3 LEU A 36 15.279 -4.366 -17.706 1.00 31.43 H new ATOM 0 HG LEU A 36 14.214 -2.043 -16.078 1.00 74.23 H new ATOM 0 HD11 LEU A 36 12.360 -2.007 -17.700 1.00 52.54 H new ATOM 0 HD12 LEU A 36 13.919 -1.630 -18.471 1.00 52.54 H new ATOM 0 HD13 LEU A 36 13.193 -3.242 -18.673 1.00 52.54 H new ATOM 0 HD21 LEU A 36 12.262 -3.513 -15.749 1.00 71.02 H new ATOM 0 HD22 LEU A 36 13.091 -4.807 -16.646 1.00 71.02 H new ATOM 0 HD23 LEU A 36 13.750 -4.236 -15.095 1.00 71.02 H new ATOM 560 N VAL A 37 17.845 -5.560 -16.713 1.00 24.11 N ATOM 561 CA VAL A 37 19.091 -6.121 -17.222 1.00 21.45 C ATOM 562 C VAL A 37 18.913 -6.663 -18.635 1.00 40.15 C ATOM 563 O VAL A 37 17.857 -6.500 -19.245 1.00 70.53 O ATOM 564 CB VAL A 37 19.610 -7.251 -16.312 1.00 60.35 C ATOM 565 CG1 VAL A 37 19.776 -6.754 -14.884 1.00 73.44 C ATOM 566 CG2 VAL A 37 18.673 -8.449 -16.364 1.00 11.43 C ATOM 0 H VAL A 37 17.103 -6.244 -16.566 1.00 24.11 H new ATOM 0 HA VAL A 37 19.820 -5.311 -17.236 1.00 21.45 H new ATOM 0 HB VAL A 37 20.588 -7.567 -16.676 1.00 60.35 H new ATOM 0 HG11 VAL A 37 20.143 -7.566 -14.256 1.00 73.44 H new ATOM 0 HG12 VAL A 37 20.490 -5.930 -14.866 1.00 73.44 H new ATOM 0 HG13 VAL A 37 18.814 -6.409 -14.505 1.00 73.44 H new ATOM 0 HG21 VAL A 37 19.055 -9.238 -15.716 1.00 11.43 H new ATOM 0 HG22 VAL A 37 17.681 -8.150 -16.026 1.00 11.43 H new ATOM 0 HG23 VAL A 37 18.612 -8.819 -17.388 1.00 11.43 H new ATOM 576 N GLY A 38 19.954 -7.309 -19.152 1.00 5.42 N ATOM 577 CA GLY A 38 19.893 -7.865 -20.491 1.00 32.03 C ATOM 578 C GLY A 38 21.183 -7.666 -21.261 1.00 51.13 C ATOM 579 O GLY A 38 22.269 -7.924 -20.743 1.00 62.31 O ATOM 0 H GLY A 38 20.839 -7.457 -18.667 1.00 5.42 H new ATOM 0 HA2 GLY A 38 19.671 -8.930 -20.429 1.00 32.03 H new ATOM 0 HA3 GLY A 38 19.072 -7.400 -21.037 1.00 32.03 H new ATOM 583 N TRP A 39 21.064 -7.207 -22.502 1.00 31.12 N ATOM 584 CA TRP A 39 22.231 -6.975 -23.346 1.00 34.40 C ATOM 585 C TRP A 39 21.834 -6.279 -24.643 1.00 43.11 C ATOM 586 O TRP A 39 20.721 -6.454 -25.138 1.00 13.10 O ATOM 587 CB TRP A 39 22.932 -8.299 -23.657 1.00 13.22 C ATOM 588 CG TRP A 39 22.165 -9.169 -24.606 1.00 52.54 C ATOM 589 CD1 TRP A 39 22.142 -9.073 -25.969 1.00 33.24 C ATOM 590 CD2 TRP A 39 21.309 -10.264 -24.264 1.00 52.03 C ATOM 591 NE1 TRP A 39 21.323 -10.044 -26.494 1.00 12.51 N ATOM 592 CE2 TRP A 39 20.801 -10.788 -25.469 1.00 54.42 C ATOM 593 CE3 TRP A 39 20.924 -10.855 -23.058 1.00 11.21 C ATOM 594 CZ2 TRP A 39 19.928 -11.872 -25.500 1.00 15.23 C ATOM 595 CZ3 TRP A 39 20.057 -11.931 -23.090 1.00 1.42 C ATOM 596 CH2 TRP A 39 19.567 -12.431 -24.304 1.00 3.33 C ATOM 0 H TRP A 39 20.172 -6.988 -22.946 1.00 31.12 H new ATOM 0 HA TRP A 39 22.919 -6.327 -22.803 1.00 34.40 H new ATOM 0 HB2 TRP A 39 23.915 -8.091 -24.080 1.00 13.22 H new ATOM 0 HB3 TRP A 39 23.094 -8.843 -22.727 1.00 13.22 H new ATOM 0 HD1 TRP A 39 22.687 -8.342 -26.548 1.00 33.24 H new ATOM 0 HE1 TRP A 39 21.134 -10.187 -27.486 1.00 12.51 H new ATOM 0 HE3 TRP A 39 21.297 -10.478 -22.117 1.00 11.21 H new ATOM 0 HZ2 TRP A 39 19.549 -12.258 -26.435 1.00 15.23 H new ATOM 0 HZ3 TRP A 39 19.752 -12.394 -22.163 1.00 1.42 H new ATOM 0 HH2 TRP A 39 18.892 -13.274 -24.296 1.00 3.33 H new ATOM 607 N VAL A 40 22.753 -5.488 -25.190 1.00 34.41 N ATOM 608 CA VAL A 40 22.499 -4.766 -26.431 1.00 33.51 C ATOM 609 C VAL A 40 23.655 -4.934 -27.411 1.00 34.43 C ATOM 610 O VAL A 40 24.814 -4.714 -27.061 1.00 32.31 O ATOM 611 CB VAL A 40 22.275 -3.265 -26.171 1.00 14.10 C ATOM 612 CG1 VAL A 40 23.456 -2.671 -25.420 1.00 44.42 C ATOM 613 CG2 VAL A 40 22.039 -2.527 -27.480 1.00 73.43 C ATOM 0 H VAL A 40 23.679 -5.331 -24.793 1.00 34.41 H new ATOM 0 HA VAL A 40 21.594 -5.191 -26.865 1.00 33.51 H new ATOM 0 HB VAL A 40 21.386 -3.150 -25.551 1.00 14.10 H new ATOM 0 HG11 VAL A 40 23.280 -1.610 -25.245 1.00 44.42 H new ATOM 0 HG12 VAL A 40 23.573 -3.181 -24.464 1.00 44.42 H new ATOM 0 HG13 VAL A 40 24.363 -2.795 -26.011 1.00 44.42 H new ATOM 0 HG21 VAL A 40 21.883 -1.468 -27.277 1.00 73.43 H new ATOM 0 HG22 VAL A 40 22.907 -2.648 -28.128 1.00 73.43 H new ATOM 0 HG23 VAL A 40 21.158 -2.936 -27.974 1.00 73.43 H new ATOM 623 N GLN A 41 23.330 -5.325 -28.639 1.00 20.21 N ATOM 624 CA GLN A 41 24.342 -5.523 -29.670 1.00 3.24 C ATOM 625 C GLN A 41 23.743 -5.351 -31.061 1.00 74.34 C ATOM 626 O GLN A 41 22.607 -5.753 -31.312 1.00 41.41 O ATOM 627 CB GLN A 41 24.969 -6.912 -29.539 1.00 20.00 C ATOM 628 CG GLN A 41 26.396 -6.987 -30.059 1.00 35.22 C ATOM 629 CD GLN A 41 26.827 -8.406 -30.375 1.00 45.50 C ATOM 630 OE1 GLN A 41 26.027 -9.339 -30.314 1.00 13.12 O ATOM 631 NE2 GLN A 41 28.100 -8.575 -30.716 1.00 34.21 N ATOM 0 H GLN A 41 22.375 -5.511 -28.944 1.00 20.21 H new ATOM 0 HA GLN A 41 25.117 -4.769 -29.533 1.00 3.24 H new ATOM 0 HB2 GLN A 41 24.957 -7.209 -28.490 1.00 20.00 H new ATOM 0 HB3 GLN A 41 24.355 -7.631 -30.081 1.00 20.00 H new ATOM 0 HG2 GLN A 41 26.484 -6.376 -30.957 1.00 35.22 H new ATOM 0 HG3 GLN A 41 27.072 -6.562 -29.317 1.00 35.22 H new ATOM 0 HE21 GLN A 41 28.729 -7.773 -30.754 1.00 34.21 H new ATOM 0 HE22 GLN A 41 28.449 -9.507 -30.940 1.00 34.21 H new ATOM 640 N ASN A 42 24.514 -4.752 -31.963 1.00 32.11 N ATOM 641 CA ASN A 42 24.058 -4.527 -33.330 1.00 0.42 C ATOM 642 C ASN A 42 24.243 -5.781 -34.179 1.00 12.23 C ATOM 643 O ASN A 42 24.650 -6.829 -33.678 1.00 31.54 O ATOM 644 CB ASN A 42 24.819 -3.356 -33.957 1.00 35.34 C ATOM 645 CG ASN A 42 26.322 -3.517 -33.844 1.00 62.43 C ATOM 646 OD1 ASN A 42 26.941 -3.032 -32.897 1.00 13.00 O ATOM 647 ND2 ASN A 42 26.918 -4.202 -34.814 1.00 52.10 N ATOM 0 H ASN A 42 25.457 -4.414 -31.772 1.00 32.11 H new ATOM 0 HA ASN A 42 22.996 -4.286 -33.297 1.00 0.42 H new ATOM 0 HB2 ASN A 42 24.544 -3.268 -35.008 1.00 35.34 H new ATOM 0 HB3 ASN A 42 24.518 -2.428 -33.470 1.00 35.34 H new ATOM 0 HD21 ASN A 42 27.928 -4.343 -34.792 1.00 52.10 H new ATOM 0 HD22 ASN A 42 26.366 -4.587 -35.580 1.00 52.10 H new ATOM 654 N THR A 43 23.941 -5.666 -35.468 1.00 42.44 N ATOM 655 CA THR A 43 24.073 -6.789 -36.387 1.00 41.04 C ATOM 656 C THR A 43 24.601 -6.332 -37.742 1.00 42.24 C ATOM 657 O THR A 43 24.606 -5.139 -38.047 1.00 74.02 O ATOM 658 CB THR A 43 22.727 -7.510 -36.590 1.00 40.25 C ATOM 659 OG1 THR A 43 21.855 -6.703 -37.390 1.00 30.11 O ATOM 660 CG2 THR A 43 22.066 -7.808 -35.253 1.00 60.43 C ATOM 0 H THR A 43 23.603 -4.806 -35.899 1.00 42.44 H new ATOM 0 HA THR A 43 24.784 -7.482 -35.938 1.00 41.04 H new ATOM 0 HB THR A 43 22.919 -8.454 -37.101 1.00 40.25 H new ATOM 0 HG1 THR A 43 20.935 -6.796 -37.066 1.00 30.11 H new ATOM 0 HG21 THR A 43 21.117 -8.317 -35.422 1.00 60.43 H new ATOM 0 HG22 THR A 43 22.720 -8.446 -34.658 1.00 60.43 H new ATOM 0 HG23 THR A 43 21.887 -6.874 -34.720 1.00 60.43 H new ATOM 668 N ASP A 44 25.045 -7.287 -38.552 1.00 11.01 N ATOM 669 CA ASP A 44 25.574 -6.982 -39.876 1.00 71.13 C ATOM 670 C ASP A 44 24.444 -6.692 -40.859 1.00 71.43 C ATOM 671 O ASP A 44 24.627 -5.962 -41.833 1.00 1.40 O ATOM 672 CB ASP A 44 26.427 -8.144 -40.388 1.00 75.12 C ATOM 673 CG ASP A 44 27.630 -8.412 -39.506 1.00 42.52 C ATOM 674 OD1 ASP A 44 28.619 -7.654 -39.605 1.00 73.41 O ATOM 675 OD2 ASP A 44 27.583 -9.377 -38.716 1.00 65.43 O ATOM 0 H ASP A 44 25.049 -8.279 -38.315 1.00 11.01 H new ATOM 0 HA ASP A 44 26.198 -6.092 -39.795 1.00 71.13 H new ATOM 0 HB2 ASP A 44 25.814 -9.044 -40.444 1.00 75.12 H new ATOM 0 HB3 ASP A 44 26.765 -7.924 -41.401 1.00 75.12 H new ATOM 680 N ARG A 45 23.276 -7.271 -40.598 1.00 43.10 N ATOM 681 CA ARG A 45 22.117 -7.077 -41.461 1.00 3.31 C ATOM 682 C ARG A 45 21.584 -5.652 -41.343 1.00 4.21 C ATOM 683 O ARG A 45 21.263 -5.014 -42.344 1.00 54.52 O ATOM 684 CB ARG A 45 21.016 -8.076 -41.104 1.00 15.05 C ATOM 685 CG ARG A 45 21.149 -9.411 -41.818 1.00 54.22 C ATOM 686 CD ARG A 45 20.436 -10.521 -41.062 1.00 25.23 C ATOM 687 NE ARG A 45 18.991 -10.486 -41.270 1.00 65.35 N ATOM 688 CZ ARG A 45 18.406 -10.822 -42.415 1.00 10.43 C ATOM 689 NH1 ARG A 45 19.138 -11.215 -43.448 1.00 23.14 N ATOM 690 NH2 ARG A 45 17.085 -10.764 -42.527 1.00 41.03 N ATOM 0 H ARG A 45 23.108 -7.878 -39.796 1.00 43.10 H new ATOM 0 HA ARG A 45 22.430 -7.245 -42.491 1.00 3.31 H new ATOM 0 HB2 ARG A 45 21.027 -8.247 -40.028 1.00 15.05 H new ATOM 0 HB3 ARG A 45 20.048 -7.639 -41.347 1.00 15.05 H new ATOM 0 HG2 ARG A 45 20.735 -9.330 -42.823 1.00 54.22 H new ATOM 0 HG3 ARG A 45 22.204 -9.663 -41.927 1.00 54.22 H new ATOM 0 HD2 ARG A 45 20.825 -11.487 -41.385 1.00 25.23 H new ATOM 0 HD3 ARG A 45 20.651 -10.430 -39.997 1.00 25.23 H new ATOM 0 HE ARG A 45 18.399 -10.188 -40.495 1.00 65.35 H new ATOM 0 HH11 ARG A 45 20.154 -11.260 -43.366 1.00 23.14 H new ATOM 0 HH12 ARG A 45 18.686 -11.472 -44.325 1.00 23.14 H new ATOM 0 HH21 ARG A 45 16.519 -10.462 -41.734 1.00 41.03 H new ATOM 0 HH22 ARG A 45 16.636 -11.022 -43.406 1.00 41.03 H new ATOM 704 N GLY A 46 21.493 -5.159 -40.111 1.00 64.41 N ATOM 705 CA GLY A 46 20.998 -3.814 -39.885 1.00 24.13 C ATOM 706 C GLY A 46 19.996 -3.749 -38.750 1.00 13.41 C ATOM 707 O GLY A 46 18.961 -3.091 -38.862 1.00 54.22 O ATOM 0 H GLY A 46 21.753 -5.667 -39.266 1.00 64.41 H new ATOM 0 HA2 GLY A 46 21.837 -3.154 -39.664 1.00 24.13 H new ATOM 0 HA3 GLY A 46 20.533 -3.443 -40.798 1.00 24.13 H new ATOM 711 N THR A 47 20.301 -4.434 -37.652 1.00 74.02 N ATOM 712 CA THR A 47 19.417 -4.453 -36.493 1.00 63.52 C ATOM 713 C THR A 47 20.215 -4.512 -35.195 1.00 55.22 C ATOM 714 O THR A 47 21.445 -4.540 -35.211 1.00 62.24 O ATOM 715 CB THR A 47 18.451 -5.652 -36.543 1.00 62.13 C ATOM 716 OG1 THR A 47 19.182 -6.877 -36.414 1.00 44.53 O ATOM 717 CG2 THR A 47 17.665 -5.660 -37.846 1.00 3.32 C ATOM 0 H THR A 47 21.154 -4.983 -37.541 1.00 74.02 H new ATOM 0 HA THR A 47 18.839 -3.529 -36.520 1.00 63.52 H new ATOM 0 HB THR A 47 17.749 -5.559 -35.714 1.00 62.13 H new ATOM 0 HG1 THR A 47 18.816 -7.543 -37.033 1.00 44.53 H new ATOM 0 HG21 THR A 47 16.990 -6.516 -37.858 1.00 3.32 H new ATOM 0 HG22 THR A 47 17.086 -4.740 -37.928 1.00 3.32 H new ATOM 0 HG23 THR A 47 18.355 -5.730 -38.687 1.00 3.32 H new ATOM 725 N VAL A 48 19.506 -4.530 -34.071 1.00 35.21 N ATOM 726 CA VAL A 48 20.148 -4.587 -32.763 1.00 75.21 C ATOM 727 C VAL A 48 19.414 -5.546 -31.832 1.00 70.01 C ATOM 728 O VAL A 48 18.318 -5.249 -31.359 1.00 13.14 O ATOM 729 CB VAL A 48 20.207 -3.195 -32.106 1.00 32.51 C ATOM 730 CG1 VAL A 48 20.875 -3.277 -30.742 1.00 44.10 C ATOM 731 CG2 VAL A 48 20.936 -2.211 -33.008 1.00 74.22 C ATOM 0 H VAL A 48 18.487 -4.506 -34.040 1.00 35.21 H new ATOM 0 HA VAL A 48 21.164 -4.948 -32.924 1.00 75.21 H new ATOM 0 HB VAL A 48 19.188 -2.835 -31.964 1.00 32.51 H new ATOM 0 HG11 VAL A 48 20.908 -2.284 -30.293 1.00 44.10 H new ATOM 0 HG12 VAL A 48 20.306 -3.948 -30.098 1.00 44.10 H new ATOM 0 HG13 VAL A 48 21.890 -3.657 -30.856 1.00 44.10 H new ATOM 0 HG21 VAL A 48 20.968 -1.233 -32.528 1.00 74.22 H new ATOM 0 HG22 VAL A 48 21.953 -2.563 -33.184 1.00 74.22 H new ATOM 0 HG23 VAL A 48 20.410 -2.131 -33.959 1.00 74.22 H new ATOM 741 N GLN A 49 20.027 -6.697 -31.574 1.00 41.31 N ATOM 742 CA GLN A 49 19.431 -7.700 -30.699 1.00 45.32 C ATOM 743 C GLN A 49 19.359 -7.195 -29.262 1.00 42.50 C ATOM 744 O GLN A 49 20.313 -7.331 -28.497 1.00 33.23 O ATOM 745 CB GLN A 49 20.237 -8.999 -30.756 1.00 35.12 C ATOM 746 CG GLN A 49 20.134 -9.720 -32.090 1.00 24.50 C ATOM 747 CD GLN A 49 21.050 -10.926 -32.173 1.00 43.45 C ATOM 748 OE1 GLN A 49 22.272 -10.799 -32.083 1.00 52.24 O ATOM 749 NE2 GLN A 49 20.464 -12.104 -32.346 1.00 71.44 N ATOM 0 H GLN A 49 20.935 -6.958 -31.958 1.00 41.31 H new ATOM 0 HA GLN A 49 18.417 -7.894 -31.047 1.00 45.32 H new ATOM 0 HB2 GLN A 49 21.284 -8.776 -30.553 1.00 35.12 H new ATOM 0 HB3 GLN A 49 19.893 -9.665 -29.965 1.00 35.12 H new ATOM 0 HG2 GLN A 49 19.104 -10.039 -32.248 1.00 24.50 H new ATOM 0 HG3 GLN A 49 20.379 -9.026 -32.894 1.00 24.50 H new ATOM 0 HE21 GLN A 49 19.448 -12.163 -32.415 1.00 71.44 H new ATOM 0 HE22 GLN A 49 21.030 -12.950 -32.410 1.00 71.44 H new ATOM 758 N GLY A 50 18.221 -6.609 -28.902 1.00 32.41 N ATOM 759 CA GLY A 50 18.046 -6.092 -27.557 1.00 74.13 C ATOM 760 C GLY A 50 17.147 -6.972 -26.710 1.00 45.43 C ATOM 761 O GLY A 50 16.058 -7.354 -27.138 1.00 20.25 O ATOM 0 H GLY A 50 17.417 -6.483 -29.517 1.00 32.41 H new ATOM 0 HA2 GLY A 50 19.020 -6.003 -27.076 1.00 74.13 H new ATOM 0 HA3 GLY A 50 17.623 -5.089 -27.609 1.00 74.13 H new ATOM 765 N LYS A 51 17.605 -7.295 -25.506 1.00 30.35 N ATOM 766 CA LYS A 51 16.836 -8.136 -24.595 1.00 44.12 C ATOM 767 C LYS A 51 16.303 -7.321 -23.422 1.00 15.33 C ATOM 768 O LYS A 51 16.932 -6.356 -22.985 1.00 21.30 O ATOM 769 CB LYS A 51 17.702 -9.287 -24.078 1.00 72.42 C ATOM 770 CG LYS A 51 17.041 -10.097 -22.976 1.00 24.21 C ATOM 771 CD LYS A 51 15.806 -10.824 -23.481 1.00 44.04 C ATOM 772 CE LYS A 51 16.140 -12.234 -23.945 1.00 11.32 C ATOM 773 NZ LYS A 51 16.673 -13.071 -22.835 1.00 11.04 N ATOM 0 H LYS A 51 18.505 -6.987 -25.138 1.00 30.35 H new ATOM 0 HA LYS A 51 15.989 -8.545 -25.145 1.00 44.12 H new ATOM 0 HB2 LYS A 51 17.945 -9.950 -24.909 1.00 72.42 H new ATOM 0 HB3 LYS A 51 18.644 -8.884 -23.706 1.00 72.42 H new ATOM 0 HG2 LYS A 51 17.753 -10.820 -22.578 1.00 24.21 H new ATOM 0 HG3 LYS A 51 16.765 -9.437 -22.154 1.00 24.21 H new ATOM 0 HD2 LYS A 51 15.059 -10.868 -22.689 1.00 44.04 H new ATOM 0 HD3 LYS A 51 15.364 -10.264 -24.305 1.00 44.04 H new ATOM 0 HE2 LYS A 51 15.246 -12.702 -24.356 1.00 11.32 H new ATOM 0 HE3 LYS A 51 16.874 -12.187 -24.750 1.00 11.32 H new ATOM 0 HZ1 LYS A 51 16.350 -14.052 -22.954 1.00 11.04 H new ATOM 0 HZ2 LYS A 51 17.713 -13.045 -22.849 1.00 11.04 H new ATOM 0 HZ3 LYS A 51 16.330 -12.701 -21.926 1.00 11.04 H new ATOM 787 N LEU A 52 15.140 -7.714 -22.914 1.00 74.44 N ATOM 788 CA LEU A 52 14.522 -7.021 -21.790 1.00 14.14 C ATOM 789 C LEU A 52 14.236 -7.987 -20.644 1.00 60.24 C ATOM 790 O LEU A 52 13.152 -8.564 -20.563 1.00 10.01 O ATOM 791 CB LEU A 52 13.225 -6.341 -22.234 1.00 61.50 C ATOM 792 CG LEU A 52 13.378 -5.183 -23.220 1.00 63.25 C ATOM 793 CD1 LEU A 52 12.028 -4.548 -23.512 1.00 13.14 C ATOM 794 CD2 LEU A 52 14.352 -4.147 -22.679 1.00 12.42 C ATOM 0 H LEU A 52 14.606 -8.510 -23.263 1.00 74.44 H new ATOM 0 HA LEU A 52 15.220 -6.262 -21.436 1.00 14.14 H new ATOM 0 HB2 LEU A 52 12.580 -7.094 -22.686 1.00 61.50 H new ATOM 0 HB3 LEU A 52 12.710 -5.971 -21.347 1.00 61.50 H new ATOM 0 HG LEU A 52 13.780 -5.577 -24.154 1.00 63.25 H new ATOM 0 HD11 LEU A 52 12.157 -3.726 -24.216 1.00 13.14 H new ATOM 0 HD12 LEU A 52 11.361 -5.294 -23.944 1.00 13.14 H new ATOM 0 HD13 LEU A 52 11.596 -4.168 -22.586 1.00 13.14 H new ATOM 0 HD21 LEU A 52 14.449 -3.330 -23.394 1.00 12.42 H new ATOM 0 HD22 LEU A 52 13.980 -3.758 -21.731 1.00 12.42 H new ATOM 0 HD23 LEU A 52 15.326 -4.610 -22.523 1.00 12.42 H new ATOM 806 N GLN A 53 15.215 -8.157 -19.762 1.00 2.52 N ATOM 807 CA GLN A 53 15.068 -9.052 -18.620 1.00 53.24 C ATOM 808 C GLN A 53 14.752 -8.268 -17.351 1.00 13.11 C ATOM 809 O GLN A 53 15.520 -7.401 -16.937 1.00 41.23 O ATOM 810 CB GLN A 53 16.342 -9.874 -18.422 1.00 62.13 C ATOM 811 CG GLN A 53 16.323 -10.734 -17.169 1.00 12.12 C ATOM 812 CD GLN A 53 17.156 -11.992 -17.311 1.00 65.12 C ATOM 813 OE1 GLN A 53 16.669 -13.102 -17.094 1.00 53.31 O ATOM 814 NE2 GLN A 53 18.422 -11.826 -17.678 1.00 52.21 N ATOM 0 H GLN A 53 16.119 -7.687 -19.816 1.00 2.52 H new ATOM 0 HA GLN A 53 14.237 -9.727 -18.824 1.00 53.24 H new ATOM 0 HB2 GLN A 53 16.489 -10.516 -19.291 1.00 62.13 H new ATOM 0 HB3 GLN A 53 17.197 -9.199 -18.376 1.00 62.13 H new ATOM 0 HG2 GLN A 53 16.695 -10.150 -16.327 1.00 12.12 H new ATOM 0 HG3 GLN A 53 15.294 -11.009 -16.937 1.00 12.12 H new ATOM 0 HE21 GLN A 53 18.785 -10.888 -17.848 1.00 52.21 H new ATOM 0 HE22 GLN A 53 19.031 -12.637 -17.790 1.00 52.21 H new ATOM 823 N GLY A 54 13.614 -8.579 -16.737 1.00 22.14 N ATOM 824 CA GLY A 54 13.216 -7.894 -15.521 1.00 24.14 C ATOM 825 C GLY A 54 11.711 -7.767 -15.393 1.00 23.25 C ATOM 826 O GLY A 54 10.949 -8.372 -16.147 1.00 24.30 O ATOM 0 H GLY A 54 12.961 -9.293 -17.060 1.00 22.14 H new ATOM 0 HA2 GLY A 54 13.606 -8.435 -14.659 1.00 24.14 H new ATOM 0 HA3 GLY A 54 13.664 -6.901 -15.504 1.00 24.14 H new ATOM 830 N PRO A 55 11.262 -6.965 -14.416 1.00 2.01 N ATOM 831 CA PRO A 55 9.835 -6.743 -14.168 1.00 14.13 C ATOM 832 C PRO A 55 9.174 -5.929 -15.275 1.00 15.34 C ATOM 833 O PRO A 55 9.783 -5.018 -15.836 1.00 12.40 O ATOM 834 CB PRO A 55 9.821 -5.964 -12.850 1.00 33.10 C ATOM 835 CG PRO A 55 11.146 -5.285 -12.797 1.00 72.40 C ATOM 836 CD PRO A 55 12.113 -6.212 -13.479 1.00 64.42 C ATOM 0 HA PRO A 55 9.277 -7.679 -14.132 1.00 14.13 H new ATOM 0 HB2 PRO A 55 9.005 -5.242 -12.826 1.00 33.10 H new ATOM 0 HB3 PRO A 55 9.683 -6.630 -11.998 1.00 33.10 H new ATOM 0 HG2 PRO A 55 11.110 -4.319 -13.301 1.00 72.40 H new ATOM 0 HG3 PRO A 55 11.447 -5.096 -11.767 1.00 72.40 H new ATOM 0 HD2 PRO A 55 12.896 -5.662 -14.001 1.00 64.42 H new ATOM 0 HD3 PRO A 55 12.607 -6.872 -12.766 1.00 64.42 H new ATOM 844 N ILE A 56 7.925 -6.262 -15.583 1.00 60.52 N ATOM 845 CA ILE A 56 7.182 -5.561 -16.622 1.00 53.40 C ATOM 846 C ILE A 56 6.913 -4.113 -16.223 1.00 62.44 C ATOM 847 O ILE A 56 6.818 -3.231 -17.077 1.00 32.24 O ATOM 848 CB ILE A 56 5.841 -6.256 -16.922 1.00 54.21 C ATOM 849 CG1 ILE A 56 6.078 -7.703 -17.359 1.00 11.11 C ATOM 850 CG2 ILE A 56 5.076 -5.492 -17.993 1.00 60.20 C ATOM 851 CD1 ILE A 56 4.823 -8.547 -17.360 1.00 72.24 C ATOM 0 H ILE A 56 7.407 -7.013 -15.127 1.00 60.52 H new ATOM 0 HA ILE A 56 7.800 -5.580 -17.519 1.00 53.40 H new ATOM 0 HB ILE A 56 5.242 -6.265 -16.012 1.00 54.21 H new ATOM 0 HG12 ILE A 56 6.509 -7.706 -18.360 1.00 11.11 H new ATOM 0 HG13 ILE A 56 6.812 -8.159 -16.695 1.00 11.11 H new ATOM 0 HG21 ILE A 56 4.130 -5.996 -18.194 1.00 60.20 H new ATOM 0 HG22 ILE A 56 4.880 -4.477 -17.646 1.00 60.20 H new ATOM 0 HG23 ILE A 56 5.669 -5.455 -18.907 1.00 60.20 H new ATOM 0 HD11 ILE A 56 5.066 -9.560 -17.680 1.00 72.24 H new ATOM 0 HD12 ILE A 56 4.403 -8.575 -16.355 1.00 72.24 H new ATOM 0 HD13 ILE A 56 4.094 -8.115 -18.046 1.00 72.24 H new ATOM 863 N SER A 57 6.794 -3.876 -14.921 1.00 32.50 N ATOM 864 CA SER A 57 6.534 -2.536 -14.408 1.00 64.24 C ATOM 865 C SER A 57 7.541 -1.536 -14.969 1.00 21.02 C ATOM 866 O SER A 57 7.232 -0.357 -15.142 1.00 5.34 O ATOM 867 CB SER A 57 6.591 -2.532 -12.880 1.00 3.04 C ATOM 868 OG SER A 57 7.931 -2.505 -12.419 1.00 42.32 O ATOM 0 H SER A 57 6.873 -4.595 -14.202 1.00 32.50 H new ATOM 0 HA SER A 57 5.535 -2.238 -14.727 1.00 64.24 H new ATOM 0 HB2 SER A 57 6.053 -1.665 -12.495 1.00 3.04 H new ATOM 0 HB3 SER A 57 6.088 -3.417 -12.492 1.00 3.04 H new ATOM 0 HG SER A 57 7.940 -2.501 -11.439 1.00 42.32 H new ATOM 874 N LYS A 58 8.748 -2.016 -15.251 1.00 55.22 N ATOM 875 CA LYS A 58 9.801 -1.167 -15.793 1.00 45.54 C ATOM 876 C LYS A 58 9.967 -1.395 -17.292 1.00 63.24 C ATOM 877 O LYS A 58 10.136 -0.448 -18.060 1.00 52.31 O ATOM 878 CB LYS A 58 11.125 -1.440 -15.076 1.00 21.14 C ATOM 879 CG LYS A 58 11.348 -0.563 -13.855 1.00 73.44 C ATOM 880 CD LYS A 58 10.550 -1.058 -12.660 1.00 65.32 C ATOM 881 CE LYS A 58 11.133 -0.548 -11.351 1.00 45.24 C ATOM 882 NZ LYS A 58 10.406 -1.091 -10.171 1.00 11.20 N ATOM 0 H LYS A 58 9.021 -2.989 -15.113 1.00 55.22 H new ATOM 0 HA LYS A 58 9.514 -0.128 -15.631 1.00 45.54 H new ATOM 0 HB2 LYS A 58 11.155 -2.486 -14.772 1.00 21.14 H new ATOM 0 HB3 LYS A 58 11.946 -1.288 -15.777 1.00 21.14 H new ATOM 0 HG2 LYS A 58 12.409 -0.549 -13.605 1.00 73.44 H new ATOM 0 HG3 LYS A 58 11.061 0.463 -14.085 1.00 73.44 H new ATOM 0 HD2 LYS A 58 9.515 -0.729 -12.751 1.00 65.32 H new ATOM 0 HD3 LYS A 58 10.539 -2.148 -12.655 1.00 65.32 H new ATOM 0 HE2 LYS A 58 12.185 -0.827 -11.289 1.00 45.24 H new ATOM 0 HE3 LYS A 58 11.090 0.541 -11.334 1.00 45.24 H new ATOM 0 HZ1 LYS A 58 10.834 -0.720 -9.299 1.00 11.20 H new ATOM 0 HZ2 LYS A 58 9.407 -0.804 -10.216 1.00 11.20 H new ATOM 0 HZ3 LYS A 58 10.468 -2.129 -10.172 1.00 11.20 H new ATOM 896 N VAL A 59 9.917 -2.658 -17.703 1.00 31.50 N ATOM 897 CA VAL A 59 10.059 -3.011 -19.111 1.00 31.14 C ATOM 898 C VAL A 59 9.055 -2.252 -19.971 1.00 61.22 C ATOM 899 O VAL A 59 9.329 -1.935 -21.129 1.00 2.13 O ATOM 900 CB VAL A 59 9.869 -4.523 -19.332 1.00 73.43 C ATOM 901 CG1 VAL A 59 9.992 -4.866 -20.809 1.00 73.40 C ATOM 902 CG2 VAL A 59 10.874 -5.313 -18.508 1.00 11.15 C ATOM 0 H VAL A 59 9.779 -3.454 -17.081 1.00 31.50 H new ATOM 0 HA VAL A 59 11.070 -2.733 -19.407 1.00 31.14 H new ATOM 0 HB VAL A 59 8.867 -4.797 -19.001 1.00 73.43 H new ATOM 0 HG11 VAL A 59 9.855 -5.939 -20.946 1.00 73.40 H new ATOM 0 HG12 VAL A 59 9.230 -4.328 -21.372 1.00 73.40 H new ATOM 0 HG13 VAL A 59 10.980 -4.578 -21.168 1.00 73.40 H new ATOM 0 HG21 VAL A 59 10.725 -6.379 -18.677 1.00 11.15 H new ATOM 0 HG22 VAL A 59 11.886 -5.037 -18.805 1.00 11.15 H new ATOM 0 HG23 VAL A 59 10.733 -5.090 -17.450 1.00 11.15 H new ATOM 912 N ARG A 60 7.891 -1.964 -19.398 1.00 4.42 N ATOM 913 CA ARG A 60 6.846 -1.242 -20.113 1.00 34.03 C ATOM 914 C ARG A 60 7.376 0.078 -20.664 1.00 54.24 C ATOM 915 O ARG A 60 6.872 0.591 -21.664 1.00 23.45 O ATOM 916 CB ARG A 60 5.655 -0.980 -19.189 1.00 54.31 C ATOM 917 CG ARG A 60 4.759 -2.192 -18.990 1.00 44.23 C ATOM 918 CD ARG A 60 3.740 -2.321 -20.111 1.00 72.11 C ATOM 919 NE ARG A 60 2.702 -1.297 -20.028 1.00 44.42 N ATOM 920 CZ ARG A 60 1.524 -1.393 -20.634 1.00 21.10 C ATOM 921 NH1 ARG A 60 1.235 -2.462 -21.363 1.00 22.43 N ATOM 922 NH2 ARG A 60 0.632 -0.419 -20.511 1.00 13.11 N ATOM 0 H ARG A 60 7.648 -2.220 -18.441 1.00 4.42 H new ATOM 0 HA ARG A 60 6.520 -1.860 -20.950 1.00 34.03 H new ATOM 0 HB2 ARG A 60 6.025 -0.649 -18.219 1.00 54.31 H new ATOM 0 HB3 ARG A 60 5.061 -0.163 -19.599 1.00 54.31 H new ATOM 0 HG2 ARG A 60 5.369 -3.094 -18.946 1.00 44.23 H new ATOM 0 HG3 ARG A 60 4.242 -2.110 -18.034 1.00 44.23 H new ATOM 0 HD2 ARG A 60 4.248 -2.245 -21.073 1.00 72.11 H new ATOM 0 HD3 ARG A 60 3.279 -3.308 -20.070 1.00 72.11 H new ATOM 0 HE ARG A 60 2.892 -0.462 -19.474 1.00 44.42 H new ATOM 0 HH11 ARG A 60 1.918 -3.213 -21.460 1.00 22.43 H new ATOM 0 HH12 ARG A 60 0.330 -2.533 -21.827 1.00 22.43 H new ATOM 0 HH21 ARG A 60 0.850 0.405 -19.951 1.00 13.11 H new ATOM 0 HH22 ARG A 60 -0.272 -0.494 -20.977 1.00 13.11 H new ATOM 936 N GLU A 61 8.394 0.623 -20.006 1.00 31.23 N ATOM 937 CA GLU A 61 8.990 1.884 -20.430 1.00 65.21 C ATOM 938 C GLU A 61 10.210 1.639 -21.315 1.00 35.54 C ATOM 939 O GLU A 61 10.455 2.376 -22.269 1.00 24.22 O ATOM 940 CB GLU A 61 9.390 2.720 -19.213 1.00 21.15 C ATOM 941 CG GLU A 61 8.324 2.768 -18.131 1.00 21.02 C ATOM 942 CD GLU A 61 7.067 3.485 -18.582 1.00 54.14 C ATOM 943 OE1 GLU A 61 6.256 2.864 -19.302 1.00 2.03 O ATOM 944 OE2 GLU A 61 6.893 4.666 -18.217 1.00 51.41 O ATOM 0 H GLU A 61 8.823 0.211 -19.177 1.00 31.23 H new ATOM 0 HA GLU A 61 8.246 2.431 -21.009 1.00 65.21 H new ATOM 0 HB2 GLU A 61 10.308 2.313 -18.789 1.00 21.15 H new ATOM 0 HB3 GLU A 61 9.612 3.736 -19.538 1.00 21.15 H new ATOM 0 HG2 GLU A 61 8.070 1.751 -17.831 1.00 21.02 H new ATOM 0 HG3 GLU A 61 8.727 3.269 -17.251 1.00 21.02 H new ATOM 951 N MET A 62 10.969 0.598 -20.989 1.00 64.24 N ATOM 952 CA MET A 62 12.163 0.255 -21.754 1.00 75.44 C ATOM 953 C MET A 62 11.813 -0.015 -23.215 1.00 3.23 C ATOM 954 O MET A 62 12.574 0.332 -24.118 1.00 2.05 O ATOM 955 CB MET A 62 12.848 -0.971 -21.148 1.00 5.15 C ATOM 956 CG MET A 62 14.349 -1.010 -21.390 1.00 14.00 C ATOM 957 SD MET A 62 15.252 0.148 -20.344 1.00 53.30 S ATOM 958 CE MET A 62 15.385 1.560 -21.439 1.00 20.25 C ATOM 0 H MET A 62 10.779 -0.022 -20.202 1.00 64.24 H new ATOM 0 HA MET A 62 12.847 1.103 -21.712 1.00 75.44 H new ATOM 0 HB2 MET A 62 12.661 -0.988 -20.074 1.00 5.15 H new ATOM 0 HB3 MET A 62 12.397 -1.872 -21.565 1.00 5.15 H new ATOM 0 HG2 MET A 62 14.716 -2.020 -21.208 1.00 14.00 H new ATOM 0 HG3 MET A 62 14.550 -0.781 -22.437 1.00 14.00 H new ATOM 0 HE1 MET A 62 16.436 1.767 -21.640 1.00 20.25 H new ATOM 0 HE2 MET A 62 14.872 1.343 -22.376 1.00 20.25 H new ATOM 0 HE3 MET A 62 14.928 2.430 -20.968 1.00 20.25 H new ATOM 968 N GLN A 63 10.659 -0.635 -23.438 1.00 1.12 N ATOM 969 CA GLN A 63 10.211 -0.951 -24.789 1.00 1.01 C ATOM 970 C GLN A 63 10.028 0.319 -25.613 1.00 14.33 C ATOM 971 O GLN A 63 10.322 0.345 -26.808 1.00 12.00 O ATOM 972 CB GLN A 63 8.900 -1.737 -24.743 1.00 72.32 C ATOM 973 CG GLN A 63 7.781 -1.013 -24.012 1.00 2.21 C ATOM 974 CD GLN A 63 6.483 -1.795 -24.010 1.00 32.34 C ATOM 975 OE1 GLN A 63 6.314 -2.742 -24.779 1.00 32.14 O ATOM 976 NE2 GLN A 63 5.557 -1.403 -23.143 1.00 34.45 N ATOM 0 H GLN A 63 10.018 -0.928 -22.701 1.00 1.12 H new ATOM 0 HA GLN A 63 10.977 -1.563 -25.265 1.00 1.01 H new ATOM 0 HB2 GLN A 63 8.578 -1.950 -25.762 1.00 72.32 H new ATOM 0 HB3 GLN A 63 9.078 -2.697 -24.258 1.00 72.32 H new ATOM 0 HG2 GLN A 63 8.088 -0.823 -22.983 1.00 2.21 H new ATOM 0 HG3 GLN A 63 7.615 -0.042 -24.480 1.00 2.21 H new ATOM 0 HE21 GLN A 63 5.740 -0.613 -22.524 1.00 34.45 H new ATOM 0 HE22 GLN A 63 4.663 -1.892 -23.096 1.00 34.45 H new ATOM 985 N LYS A 64 9.539 1.372 -24.966 1.00 51.33 N ATOM 986 CA LYS A 64 9.316 2.647 -25.638 1.00 4.32 C ATOM 987 C LYS A 64 10.620 3.429 -25.767 1.00 12.01 C ATOM 988 O LYS A 64 10.850 4.108 -26.767 1.00 65.05 O ATOM 989 CB LYS A 64 8.285 3.478 -24.871 1.00 31.12 C ATOM 990 CG LYS A 64 7.011 2.717 -24.545 1.00 65.34 C ATOM 991 CD LYS A 64 6.282 2.286 -25.807 1.00 34.13 C ATOM 992 CE LYS A 64 4.786 2.148 -25.566 1.00 1.52 C ATOM 993 NZ LYS A 64 4.431 0.802 -25.038 1.00 12.24 N ATOM 0 H LYS A 64 9.290 1.367 -23.977 1.00 51.33 H new ATOM 0 HA LYS A 64 8.936 2.440 -26.638 1.00 4.32 H new ATOM 0 HB2 LYS A 64 8.734 3.832 -23.943 1.00 31.12 H new ATOM 0 HB3 LYS A 64 8.031 4.360 -25.459 1.00 31.12 H new ATOM 0 HG2 LYS A 64 7.253 1.839 -23.946 1.00 65.34 H new ATOM 0 HG3 LYS A 64 6.355 3.344 -23.941 1.00 65.34 H new ATOM 0 HD2 LYS A 64 6.459 3.015 -26.598 1.00 34.13 H new ATOM 0 HD3 LYS A 64 6.685 1.335 -26.155 1.00 34.13 H new ATOM 0 HE2 LYS A 64 4.460 2.912 -24.861 1.00 1.52 H new ATOM 0 HE3 LYS A 64 4.250 2.325 -26.498 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 3.437 0.592 -25.262 1.00 12.24 H new ATOM 0 HZ2 LYS A 64 5.044 0.085 -25.476 1.00 12.24 H new ATOM 0 HZ3 LYS A 64 4.564 0.788 -24.007 1.00 12.24 H new ATOM 1007 N TRP A 65 11.468 3.327 -24.750 1.00 41.52 N ATOM 1008 CA TRP A 65 12.749 4.024 -24.752 1.00 3.44 C ATOM 1009 C TRP A 65 13.670 3.469 -25.833 1.00 11.14 C ATOM 1010 O TRP A 65 14.613 4.135 -26.261 1.00 5.11 O ATOM 1011 CB TRP A 65 13.420 3.904 -23.382 1.00 50.41 C ATOM 1012 CG TRP A 65 13.080 5.031 -22.454 1.00 22.35 C ATOM 1013 CD1 TRP A 65 12.108 5.037 -21.494 1.00 43.11 C ATOM 1014 CD2 TRP A 65 13.710 6.315 -22.398 1.00 51.31 C ATOM 1015 NE1 TRP A 65 12.096 6.248 -20.846 1.00 11.44 N ATOM 1016 CE2 TRP A 65 13.069 7.050 -21.381 1.00 24.31 C ATOM 1017 CE3 TRP A 65 14.754 6.916 -23.107 1.00 74.10 C ATOM 1018 CZ2 TRP A 65 13.439 8.353 -21.058 1.00 60.35 C ATOM 1019 CZ3 TRP A 65 15.119 8.209 -22.786 1.00 41.31 C ATOM 1020 CH2 TRP A 65 14.464 8.916 -21.769 1.00 0.12 C ATOM 0 H TRP A 65 11.292 2.769 -23.914 1.00 41.52 H new ATOM 0 HA TRP A 65 12.561 5.076 -24.967 1.00 3.44 H new ATOM 0 HB2 TRP A 65 13.124 2.962 -22.921 1.00 50.41 H new ATOM 0 HB3 TRP A 65 14.501 3.867 -23.517 1.00 50.41 H new ATOM 0 HD1 TRP A 65 11.447 4.211 -21.277 1.00 43.11 H new ATOM 0 HE1 TRP A 65 11.464 6.508 -20.089 1.00 11.44 H new ATOM 0 HE3 TRP A 65 15.266 6.379 -23.892 1.00 74.10 H new ATOM 0 HZ2 TRP A 65 12.935 8.900 -20.275 1.00 60.35 H new ATOM 0 HZ3 TRP A 65 15.923 8.683 -23.328 1.00 41.31 H new ATOM 0 HH2 TRP A 65 14.774 9.925 -21.542 1.00 0.12 H new ATOM 1031 N LEU A 66 13.391 2.246 -26.271 1.00 13.54 N ATOM 1032 CA LEU A 66 14.194 1.601 -27.303 1.00 44.51 C ATOM 1033 C LEU A 66 13.473 1.622 -28.647 1.00 32.32 C ATOM 1034 O LEU A 66 14.101 1.528 -29.701 1.00 23.05 O ATOM 1035 CB LEU A 66 14.512 0.159 -26.904 1.00 11.45 C ATOM 1036 CG LEU A 66 15.695 -0.029 -25.953 1.00 52.21 C ATOM 1037 CD1 LEU A 66 15.639 -1.399 -25.296 1.00 72.10 C ATOM 1038 CD2 LEU A 66 17.010 0.155 -26.696 1.00 2.31 C ATOM 0 H LEU A 66 12.614 1.681 -25.927 1.00 13.54 H new ATOM 0 HA LEU A 66 15.126 2.157 -27.403 1.00 44.51 H new ATOM 0 HB2 LEU A 66 13.626 -0.272 -26.439 1.00 11.45 H new ATOM 0 HB3 LEU A 66 14.706 -0.413 -27.811 1.00 11.45 H new ATOM 0 HG LEU A 66 15.633 0.728 -25.172 1.00 52.21 H new ATOM 0 HD11 LEU A 66 16.489 -1.515 -24.623 1.00 72.10 H new ATOM 0 HD12 LEU A 66 14.712 -1.494 -24.730 1.00 72.10 H new ATOM 0 HD13 LEU A 66 15.676 -2.172 -26.063 1.00 72.10 H new ATOM 0 HD21 LEU A 66 17.841 0.018 -26.004 1.00 2.31 H new ATOM 0 HD22 LEU A 66 17.081 -0.580 -27.498 1.00 2.31 H new ATOM 0 HD23 LEU A 66 17.052 1.159 -27.119 1.00 2.31 H new ATOM 1050 N GLU A 67 12.150 1.747 -28.601 1.00 21.13 N ATOM 1051 CA GLU A 67 11.344 1.781 -29.815 1.00 71.02 C ATOM 1052 C GLU A 67 11.276 3.196 -30.384 1.00 31.45 C ATOM 1053 O GLU A 67 11.449 3.404 -31.585 1.00 12.11 O ATOM 1054 CB GLU A 67 9.932 1.265 -29.531 1.00 54.22 C ATOM 1055 CG GLU A 67 8.987 1.394 -30.714 1.00 41.14 C ATOM 1056 CD GLU A 67 7.933 0.304 -30.741 1.00 65.12 C ATOM 1057 OE1 GLU A 67 7.576 -0.203 -29.658 1.00 33.04 O ATOM 1058 OE2 GLU A 67 7.467 -0.042 -31.847 1.00 14.13 O ATOM 0 H GLU A 67 11.615 1.826 -27.736 1.00 21.13 H new ATOM 0 HA GLU A 67 11.818 1.134 -30.553 1.00 71.02 H new ATOM 0 HB2 GLU A 67 9.990 0.217 -29.236 1.00 54.22 H new ATOM 0 HB3 GLU A 67 9.518 1.813 -28.684 1.00 54.22 H new ATOM 0 HG2 GLU A 67 8.497 2.367 -30.678 1.00 41.14 H new ATOM 0 HG3 GLU A 67 9.562 1.361 -31.639 1.00 41.14 H new ATOM 1065 N THR A 68 11.022 4.166 -29.511 1.00 52.10 N ATOM 1066 CA THR A 68 10.929 5.560 -29.924 1.00 52.55 C ATOM 1067 C THR A 68 12.218 6.313 -29.616 1.00 64.53 C ATOM 1068 O THR A 68 12.798 6.955 -30.492 1.00 54.32 O ATOM 1069 CB THR A 68 9.753 6.275 -29.231 1.00 62.32 C ATOM 1070 OG1 THR A 68 9.974 6.322 -27.817 1.00 51.02 O ATOM 1071 CG2 THR A 68 8.441 5.563 -29.521 1.00 74.32 C ATOM 0 H THR A 68 10.877 4.011 -28.513 1.00 52.10 H new ATOM 0 HA THR A 68 10.761 5.559 -31.001 1.00 52.55 H new ATOM 0 HB THR A 68 9.691 7.290 -29.623 1.00 62.32 H new ATOM 0 HG1 THR A 68 9.922 5.416 -27.448 1.00 51.02 H new ATOM 0 HG21 THR A 68 7.625 6.086 -29.021 1.00 74.32 H new ATOM 0 HG22 THR A 68 8.262 5.554 -30.596 1.00 74.32 H new ATOM 0 HG23 THR A 68 8.494 4.538 -29.154 1.00 74.32 H new ATOM 1079 N ARG A 69 12.663 6.228 -28.367 1.00 25.50 N ATOM 1080 CA ARG A 69 13.885 6.901 -27.944 1.00 3.03 C ATOM 1081 C ARG A 69 15.111 6.045 -28.248 1.00 22.25 C ATOM 1082 O ARG A 69 14.991 4.920 -28.731 1.00 21.11 O ATOM 1083 CB ARG A 69 13.828 7.215 -26.448 1.00 14.34 C ATOM 1084 CG ARG A 69 12.549 7.918 -26.022 1.00 33.33 C ATOM 1085 CD ARG A 69 12.508 9.353 -26.523 1.00 21.14 C ATOM 1086 NE ARG A 69 11.508 10.151 -25.818 1.00 23.44 N ATOM 1087 CZ ARG A 69 11.164 11.382 -26.177 1.00 4.43 C ATOM 1088 NH1 ARG A 69 11.737 11.954 -27.227 1.00 55.41 N ATOM 1089 NH2 ARG A 69 10.246 12.044 -25.485 1.00 10.53 N ATOM 0 H ARG A 69 12.196 5.700 -27.630 1.00 25.50 H new ATOM 0 HA ARG A 69 13.967 7.834 -28.502 1.00 3.03 H new ATOM 0 HB2 ARG A 69 13.927 6.286 -25.886 1.00 14.34 H new ATOM 0 HB3 ARG A 69 14.681 7.839 -26.184 1.00 14.34 H new ATOM 0 HG2 ARG A 69 11.687 7.372 -26.407 1.00 33.33 H new ATOM 0 HG3 ARG A 69 12.472 7.909 -24.935 1.00 33.33 H new ATOM 0 HD2 ARG A 69 13.490 9.809 -26.397 1.00 21.14 H new ATOM 0 HD3 ARG A 69 12.289 9.358 -27.591 1.00 21.14 H new ATOM 0 HE ARG A 69 11.049 9.740 -25.005 1.00 23.44 H new ATOM 0 HH11 ARG A 69 12.444 11.448 -27.761 1.00 55.41 H new ATOM 0 HH12 ARG A 69 11.471 12.900 -27.501 1.00 55.41 H new ATOM 0 HH21 ARG A 69 9.804 11.607 -24.676 1.00 10.53 H new ATOM 0 HH22 ARG A 69 9.982 12.990 -25.762 1.00 10.53 H new ATOM 1103 N GLY A 70 16.291 6.587 -27.961 1.00 22.32 N ATOM 1104 CA GLY A 70 17.522 5.859 -28.211 1.00 11.44 C ATOM 1105 C GLY A 70 18.736 6.767 -28.239 1.00 71.45 C ATOM 1106 O GLY A 70 18.705 7.873 -27.701 1.00 24.13 O ATOM 0 H GLY A 70 16.416 7.516 -27.560 1.00 22.32 H new ATOM 0 HA2 GLY A 70 17.656 5.102 -27.439 1.00 11.44 H new ATOM 0 HA3 GLY A 70 17.443 5.333 -29.163 1.00 11.44 H new ATOM 1110 N SER A 71 19.809 6.297 -28.869 1.00 14.33 N ATOM 1111 CA SER A 71 21.041 7.072 -28.961 1.00 34.03 C ATOM 1112 C SER A 71 20.955 8.096 -30.089 1.00 25.14 C ATOM 1113 O SER A 71 20.136 7.986 -31.000 1.00 54.35 O ATOM 1114 CB SER A 71 22.236 6.144 -29.188 1.00 55.11 C ATOM 1115 OG SER A 71 21.843 4.784 -29.133 1.00 74.34 O ATOM 0 H SER A 71 19.850 5.384 -29.323 1.00 14.33 H new ATOM 0 HA SER A 71 21.178 7.605 -28.020 1.00 34.03 H new ATOM 0 HB2 SER A 71 22.687 6.357 -30.157 1.00 55.11 H new ATOM 0 HB3 SER A 71 22.998 6.336 -28.433 1.00 55.11 H new ATOM 0 HG SER A 71 22.148 4.322 -29.942 1.00 74.34 H new ATOM 1121 N PRO A 72 21.823 9.117 -30.026 1.00 61.14 N ATOM 1122 CA PRO A 72 21.867 10.181 -31.034 1.00 23.31 C ATOM 1123 C PRO A 72 22.395 9.686 -32.376 1.00 53.15 C ATOM 1124 O PRO A 72 21.925 10.110 -33.432 1.00 1.32 O ATOM 1125 CB PRO A 72 22.829 11.205 -30.426 1.00 52.13 C ATOM 1126 CG PRO A 72 23.696 10.413 -29.509 1.00 50.34 C ATOM 1127 CD PRO A 72 22.828 9.311 -28.968 1.00 23.01 C ATOM 0 HA PRO A 72 20.876 10.581 -31.248 1.00 23.31 H new ATOM 0 HB2 PRO A 72 23.418 11.701 -31.197 1.00 52.13 H new ATOM 0 HB3 PRO A 72 22.289 11.983 -29.887 1.00 52.13 H new ATOM 0 HG2 PRO A 72 24.557 10.007 -30.040 1.00 50.34 H new ATOM 0 HG3 PRO A 72 24.083 11.036 -28.703 1.00 50.34 H new ATOM 0 HD2 PRO A 72 23.400 8.401 -28.786 1.00 23.01 H new ATOM 0 HD3 PRO A 72 22.366 9.592 -28.022 1.00 23.01 H new ATOM 1135 N GLU A 73 23.372 8.787 -32.328 1.00 64.31 N ATOM 1136 CA GLU A 73 23.963 8.235 -33.542 1.00 51.30 C ATOM 1137 C GLU A 73 23.068 7.154 -34.140 1.00 33.21 C ATOM 1138 O GLU A 73 22.560 7.298 -35.252 1.00 32.02 O ATOM 1139 CB GLU A 73 25.349 7.659 -33.245 1.00 71.02 C ATOM 1140 CG GLU A 73 26.455 8.701 -33.247 1.00 14.24 C ATOM 1141 CD GLU A 73 26.552 9.447 -34.563 1.00 55.13 C ATOM 1142 OE1 GLU A 73 26.803 8.794 -35.597 1.00 61.55 O ATOM 1143 OE2 GLU A 73 26.376 10.683 -34.560 1.00 3.31 O ATOM 0 H GLU A 73 23.771 8.425 -31.462 1.00 64.31 H new ATOM 0 HA GLU A 73 24.061 9.043 -34.267 1.00 51.30 H new ATOM 0 HB2 GLU A 73 25.328 7.166 -32.273 1.00 71.02 H new ATOM 0 HB3 GLU A 73 25.581 6.894 -33.985 1.00 71.02 H new ATOM 0 HG2 GLU A 73 26.278 9.414 -32.442 1.00 14.24 H new ATOM 0 HG3 GLU A 73 27.408 8.214 -33.039 1.00 14.24 H new ATOM 1150 N SER A 74 22.880 6.070 -33.393 1.00 54.14 N ATOM 1151 CA SER A 74 22.050 4.962 -33.850 1.00 73.34 C ATOM 1152 C SER A 74 20.570 5.326 -33.781 1.00 11.32 C ATOM 1153 O SER A 74 19.935 5.197 -32.733 1.00 63.24 O ATOM 1154 CB SER A 74 22.319 3.714 -33.008 1.00 23.34 C ATOM 1155 OG SER A 74 22.081 3.965 -31.633 1.00 43.15 O ATOM 0 H SER A 74 23.291 5.936 -32.469 1.00 54.14 H new ATOM 0 HA SER A 74 22.307 4.753 -34.889 1.00 73.34 H new ATOM 0 HB2 SER A 74 21.681 2.898 -33.348 1.00 23.34 H new ATOM 0 HB3 SER A 74 23.351 3.392 -33.149 1.00 23.34 H new ATOM 0 HG SER A 74 21.246 4.467 -31.532 1.00 43.15 H new ATOM 1161 N HIS A 75 20.026 5.783 -34.904 1.00 51.24 N ATOM 1162 CA HIS A 75 18.620 6.167 -34.972 1.00 63.34 C ATOM 1163 C HIS A 75 17.724 4.934 -35.042 1.00 53.12 C ATOM 1164 O HIS A 75 18.191 3.830 -35.323 1.00 41.13 O ATOM 1165 CB HIS A 75 18.372 7.062 -36.187 1.00 22.40 C ATOM 1166 CG HIS A 75 17.284 8.069 -35.977 1.00 32.25 C ATOM 1167 ND1 HIS A 75 16.412 8.454 -36.973 1.00 0.10 N ATOM 1168 CD2 HIS A 75 16.927 8.770 -34.875 1.00 24.11 C ATOM 1169 CE1 HIS A 75 15.568 9.350 -36.494 1.00 35.11 C ATOM 1170 NE2 HIS A 75 15.859 9.559 -35.223 1.00 35.24 N ATOM 0 H HIS A 75 20.537 5.897 -35.779 1.00 51.24 H new ATOM 0 HA HIS A 75 18.376 6.722 -34.066 1.00 63.34 H new ATOM 0 HB2 HIS A 75 19.295 7.584 -36.438 1.00 22.40 H new ATOM 0 HB3 HIS A 75 18.117 6.437 -37.043 1.00 22.40 H new ATOM 0 HD2 HIS A 75 17.395 8.718 -33.903 1.00 24.11 H new ATOM 0 HE1 HIS A 75 14.775 9.830 -37.048 1.00 35.11 H new ATOM 0 HE2 HIS A 75 15.370 10.202 -34.601 1.00 35.24 H new ATOM 1178 N ILE A 76 16.435 5.130 -34.784 1.00 42.40 N ATOM 1179 CA ILE A 76 15.474 4.035 -34.818 1.00 63.01 C ATOM 1180 C ILE A 76 14.245 4.407 -35.641 1.00 3.14 C ATOM 1181 O ILE A 76 13.407 5.195 -35.202 1.00 5.30 O ATOM 1182 CB ILE A 76 15.027 3.634 -33.400 1.00 11.31 C ATOM 1183 CG1 ILE A 76 16.235 3.216 -32.560 1.00 20.44 C ATOM 1184 CG2 ILE A 76 14.005 2.509 -33.465 1.00 54.41 C ATOM 1185 CD1 ILE A 76 15.981 3.266 -31.069 1.00 43.43 C ATOM 0 H ILE A 76 16.032 6.037 -34.549 1.00 42.40 H new ATOM 0 HA ILE A 76 15.977 3.188 -35.284 1.00 63.01 H new ATOM 0 HB ILE A 76 14.559 4.496 -32.925 1.00 11.31 H new ATOM 0 HG12 ILE A 76 16.527 2.203 -32.837 1.00 20.44 H new ATOM 0 HG13 ILE A 76 17.076 3.867 -32.799 1.00 20.44 H new ATOM 0 HG21 ILE A 76 13.699 2.237 -32.455 1.00 54.41 H new ATOM 0 HG22 ILE A 76 13.135 2.840 -34.031 1.00 54.41 H new ATOM 0 HG23 ILE A 76 14.448 1.643 -33.956 1.00 54.41 H new ATOM 0 HD11 ILE A 76 16.880 2.957 -30.536 1.00 43.43 H new ATOM 0 HD12 ILE A 76 15.719 4.283 -30.779 1.00 43.43 H new ATOM 0 HD13 ILE A 76 15.161 2.594 -30.817 1.00 43.43 H new ATOM 1197 N ASP A 77 14.144 3.833 -36.834 1.00 54.55 N ATOM 1198 CA ASP A 77 13.015 4.102 -37.718 1.00 41.32 C ATOM 1199 C ASP A 77 11.788 3.304 -37.291 1.00 32.44 C ATOM 1200 O ASP A 77 10.658 3.785 -37.380 1.00 61.11 O ATOM 1201 CB ASP A 77 13.381 3.764 -39.164 1.00 54.14 C ATOM 1202 CG ASP A 77 12.454 4.425 -40.165 1.00 54.05 C ATOM 1203 OD1 ASP A 77 11.640 5.276 -39.749 1.00 50.41 O ATOM 1204 OD2 ASP A 77 12.542 4.092 -41.365 1.00 62.45 O ATOM 0 H ASP A 77 14.829 3.179 -37.212 1.00 54.55 H new ATOM 0 HA ASP A 77 12.777 5.163 -37.650 1.00 41.32 H new ATOM 0 HB2 ASP A 77 14.406 4.079 -39.359 1.00 54.14 H new ATOM 0 HB3 ASP A 77 13.348 2.683 -39.301 1.00 54.14 H new ATOM 1209 N LYS A 78 12.017 2.080 -36.826 1.00 72.13 N ATOM 1210 CA LYS A 78 10.931 1.213 -36.384 1.00 51.12 C ATOM 1211 C LYS A 78 11.456 0.100 -35.483 1.00 12.00 C ATOM 1212 O LYS A 78 12.664 -0.114 -35.384 1.00 54.41 O ATOM 1213 CB LYS A 78 10.209 0.609 -37.591 1.00 65.01 C ATOM 1214 CG LYS A 78 11.150 0.078 -38.659 1.00 21.32 C ATOM 1215 CD LYS A 78 10.535 -1.089 -39.413 1.00 61.13 C ATOM 1216 CE LYS A 78 11.516 -1.687 -40.410 1.00 72.14 C ATOM 1217 NZ LYS A 78 11.040 -2.995 -40.939 1.00 64.44 N ATOM 0 H LYS A 78 12.946 1.666 -36.746 1.00 72.13 H new ATOM 0 HA LYS A 78 10.227 1.817 -35.812 1.00 51.12 H new ATOM 0 HB2 LYS A 78 9.565 -0.202 -37.250 1.00 65.01 H new ATOM 0 HB3 LYS A 78 9.561 1.366 -38.033 1.00 65.01 H new ATOM 0 HG2 LYS A 78 11.395 0.877 -39.359 1.00 21.32 H new ATOM 0 HG3 LYS A 78 12.085 -0.238 -38.197 1.00 21.32 H new ATOM 0 HD2 LYS A 78 10.221 -1.856 -38.705 1.00 61.13 H new ATOM 0 HD3 LYS A 78 9.640 -0.754 -39.938 1.00 61.13 H new ATOM 0 HE2 LYS A 78 11.662 -0.992 -41.237 1.00 72.14 H new ATOM 0 HE3 LYS A 78 12.486 -1.820 -39.930 1.00 72.14 H new ATOM 0 HZ1 LYS A 78 11.736 -3.370 -41.615 1.00 64.44 H new ATOM 0 HZ2 LYS A 78 10.924 -3.666 -40.153 1.00 64.44 H new ATOM 0 HZ3 LYS A 78 10.127 -2.864 -41.419 1.00 64.44 H new ATOM 1231 N ALA A 79 10.540 -0.607 -34.829 1.00 10.12 N ATOM 1232 CA ALA A 79 10.911 -1.700 -33.939 1.00 31.11 C ATOM 1233 C ALA A 79 9.801 -2.742 -33.857 1.00 72.33 C ATOM 1234 O ALA A 79 8.740 -2.581 -34.459 1.00 31.01 O ATOM 1235 CB ALA A 79 11.238 -1.164 -32.553 1.00 35.53 C ATOM 0 H ALA A 79 9.536 -0.442 -34.899 1.00 10.12 H new ATOM 0 HA ALA A 79 11.798 -2.184 -34.348 1.00 31.11 H new ATOM 0 HB1 ALA A 79 11.513 -1.991 -31.899 1.00 35.53 H new ATOM 0 HB2 ALA A 79 12.070 -0.463 -32.621 1.00 35.53 H new ATOM 0 HB3 ALA A 79 10.366 -0.654 -32.145 1.00 35.53 H new ATOM 1241 N ASN A 80 10.053 -3.812 -33.110 1.00 3.23 N ATOM 1242 CA ASN A 80 9.075 -4.882 -32.951 1.00 12.41 C ATOM 1243 C ASN A 80 9.568 -5.926 -31.954 1.00 70.22 C ATOM 1244 O ASN A 80 10.771 -6.142 -31.809 1.00 4.44 O ATOM 1245 CB ASN A 80 8.788 -5.543 -34.300 1.00 61.23 C ATOM 1246 CG ASN A 80 7.413 -6.181 -34.351 1.00 21.01 C ATOM 1247 OD1 ASN A 80 7.286 -7.404 -34.412 1.00 12.03 O ATOM 1248 ND2 ASN A 80 6.376 -5.353 -34.326 1.00 54.43 N ATOM 0 H ASN A 80 10.927 -3.961 -32.605 1.00 3.23 H new ATOM 0 HA ASN A 80 8.154 -4.445 -32.565 1.00 12.41 H new ATOM 0 HB2 ASN A 80 8.869 -4.798 -35.091 1.00 61.23 H new ATOM 0 HB3 ASN A 80 9.545 -6.302 -34.498 1.00 61.23 H new ATOM 0 HD21 ASN A 80 5.426 -5.724 -34.358 1.00 54.43 H new ATOM 0 HD22 ASN A 80 6.529 -4.346 -34.275 1.00 54.43 H new ATOM 1255 N PHE A 81 8.630 -6.573 -31.270 1.00 53.15 N ATOM 1256 CA PHE A 81 8.968 -7.595 -30.287 1.00 62.10 C ATOM 1257 C PHE A 81 8.708 -8.992 -30.843 1.00 61.01 C ATOM 1258 O PHE A 81 7.997 -9.156 -31.835 1.00 1.02 O ATOM 1259 CB PHE A 81 8.161 -7.386 -29.004 1.00 73.03 C ATOM 1260 CG PHE A 81 6.684 -7.250 -29.241 1.00 73.31 C ATOM 1261 CD1 PHE A 81 5.905 -8.366 -29.501 1.00 31.30 C ATOM 1262 CD2 PHE A 81 6.074 -6.006 -29.204 1.00 63.44 C ATOM 1263 CE1 PHE A 81 4.545 -8.245 -29.719 1.00 4.00 C ATOM 1264 CE2 PHE A 81 4.715 -5.879 -29.421 1.00 43.02 C ATOM 1265 CZ PHE A 81 3.950 -6.999 -29.680 1.00 61.40 C ATOM 0 H PHE A 81 7.629 -6.407 -31.379 1.00 53.15 H new ATOM 0 HA PHE A 81 10.030 -7.506 -30.058 1.00 62.10 H new ATOM 0 HB2 PHE A 81 8.337 -8.226 -28.332 1.00 73.03 H new ATOM 0 HB3 PHE A 81 8.524 -6.491 -28.498 1.00 73.03 H new ATOM 0 HD1 PHE A 81 6.366 -9.342 -29.534 1.00 31.30 H new ATOM 0 HD2 PHE A 81 6.667 -5.126 -29.003 1.00 63.44 H new ATOM 0 HE1 PHE A 81 3.949 -9.123 -29.919 1.00 4.00 H new ATOM 0 HE2 PHE A 81 4.252 -4.904 -29.388 1.00 43.02 H new ATOM 0 HZ PHE A 81 2.888 -6.901 -29.852 1.00 61.40 H new ATOM 1275 N LYS A 82 9.290 -9.997 -30.197 1.00 40.04 N ATOM 1276 CA LYS A 82 9.122 -11.381 -30.625 1.00 4.13 C ATOM 1277 C LYS A 82 8.112 -12.105 -29.740 1.00 43.13 C ATOM 1278 O LYS A 82 6.991 -12.385 -30.163 1.00 44.51 O ATOM 1279 CB LYS A 82 10.465 -12.114 -30.589 1.00 4.34 C ATOM 1280 CG LYS A 82 11.522 -11.492 -31.486 1.00 74.30 C ATOM 1281 CD LYS A 82 12.488 -12.538 -32.017 1.00 33.11 C ATOM 1282 CE LYS A 82 11.871 -13.342 -33.151 1.00 35.42 C ATOM 1283 NZ LYS A 82 12.815 -14.361 -33.687 1.00 24.15 N ATOM 0 H LYS A 82 9.882 -9.879 -29.375 1.00 40.04 H new ATOM 0 HA LYS A 82 8.745 -11.376 -31.648 1.00 4.13 H new ATOM 0 HB2 LYS A 82 10.834 -12.129 -29.563 1.00 4.34 H new ATOM 0 HB3 LYS A 82 10.312 -13.151 -30.888 1.00 4.34 H new ATOM 0 HG2 LYS A 82 11.039 -10.984 -32.321 1.00 74.30 H new ATOM 0 HG3 LYS A 82 12.074 -10.735 -30.929 1.00 74.30 H new ATOM 0 HD2 LYS A 82 13.397 -12.050 -32.368 1.00 33.11 H new ATOM 0 HD3 LYS A 82 12.778 -13.210 -31.209 1.00 33.11 H new ATOM 0 HE2 LYS A 82 10.967 -13.836 -32.795 1.00 35.42 H new ATOM 0 HE3 LYS A 82 11.571 -12.667 -33.953 1.00 35.42 H new ATOM 0 HZ1 LYS A 82 12.357 -14.887 -34.458 1.00 24.15 H new ATOM 0 HZ2 LYS A 82 13.667 -13.888 -34.050 1.00 24.15 H new ATOM 0 HZ3 LYS A 82 13.082 -15.020 -32.928 1.00 24.15 H new ATOM 1297 N ASN A 83 8.517 -12.404 -28.510 1.00 61.22 N ATOM 1298 CA ASN A 83 7.646 -13.095 -27.566 1.00 4.11 C ATOM 1299 C ASN A 83 8.268 -13.123 -26.173 1.00 22.00 C ATOM 1300 O ASN A 83 9.358 -13.662 -25.980 1.00 54.22 O ATOM 1301 CB ASN A 83 7.372 -14.522 -28.043 1.00 62.52 C ATOM 1302 CG ASN A 83 6.097 -15.094 -27.454 1.00 60.12 C ATOM 1303 OD1 ASN A 83 5.707 -14.751 -26.338 1.00 42.31 O ATOM 1304 ND2 ASN A 83 5.441 -15.972 -28.204 1.00 53.21 N ATOM 0 H ASN A 83 9.442 -12.179 -28.144 1.00 61.22 H new ATOM 0 HA ASN A 83 6.704 -12.550 -27.513 1.00 4.11 H new ATOM 0 HB2 ASN A 83 7.303 -14.531 -29.131 1.00 62.52 H new ATOM 0 HB3 ASN A 83 8.213 -15.161 -27.772 1.00 62.52 H new ATOM 0 HD21 ASN A 83 4.577 -16.391 -27.861 1.00 53.21 H new ATOM 0 HD22 ASN A 83 5.801 -16.227 -29.124 1.00 53.21 H new ATOM 1311 N GLU A 84 7.567 -12.539 -25.206 1.00 22.41 N ATOM 1312 CA GLU A 84 8.051 -12.498 -23.831 1.00 42.10 C ATOM 1313 C GLU A 84 7.922 -13.866 -23.167 1.00 43.12 C ATOM 1314 O GLU A 84 7.152 -14.716 -23.614 1.00 53.32 O ATOM 1315 CB GLU A 84 7.276 -11.453 -23.025 1.00 44.14 C ATOM 1316 CG GLU A 84 5.802 -11.782 -22.860 1.00 23.41 C ATOM 1317 CD GLU A 84 5.059 -10.740 -22.048 1.00 1.52 C ATOM 1318 OE1 GLU A 84 5.019 -10.871 -20.807 1.00 3.23 O ATOM 1319 OE2 GLU A 84 4.517 -9.792 -22.654 1.00 44.43 O ATOM 0 H GLU A 84 6.663 -12.088 -25.349 1.00 22.41 H new ATOM 0 HA GLU A 84 9.105 -12.222 -23.853 1.00 42.10 H new ATOM 0 HB2 GLU A 84 7.731 -11.357 -22.039 1.00 44.14 H new ATOM 0 HB3 GLU A 84 7.371 -10.484 -23.516 1.00 44.14 H new ATOM 0 HG2 GLU A 84 5.340 -11.867 -23.844 1.00 23.41 H new ATOM 0 HG3 GLU A 84 5.702 -12.753 -22.376 1.00 23.41 H new ATOM 1326 N LYS A 85 8.683 -14.072 -22.098 1.00 1.14 N ATOM 1327 CA LYS A 85 8.655 -15.335 -21.370 1.00 63.21 C ATOM 1328 C LYS A 85 8.644 -15.095 -19.864 1.00 33.43 C ATOM 1329 O LYS A 85 9.655 -14.708 -19.279 1.00 25.42 O ATOM 1330 CB LYS A 85 9.864 -16.194 -21.751 1.00 55.43 C ATOM 1331 CG LYS A 85 9.759 -17.634 -21.282 1.00 34.24 C ATOM 1332 CD LYS A 85 8.850 -18.450 -22.185 1.00 75.50 C ATOM 1333 CE LYS A 85 8.840 -19.918 -21.787 1.00 23.41 C ATOM 1334 NZ LYS A 85 7.554 -20.581 -22.140 1.00 1.33 N ATOM 0 H LYS A 85 9.328 -13.380 -21.716 1.00 1.14 H new ATOM 0 HA LYS A 85 7.741 -15.862 -21.643 1.00 63.21 H new ATOM 0 HB2 LYS A 85 9.981 -16.181 -22.835 1.00 55.43 H new ATOM 0 HB3 LYS A 85 10.764 -15.748 -21.328 1.00 55.43 H new ATOM 0 HG2 LYS A 85 10.752 -18.084 -21.261 1.00 34.24 H new ATOM 0 HG3 LYS A 85 9.376 -17.658 -20.262 1.00 34.24 H new ATOM 0 HD2 LYS A 85 7.836 -18.052 -22.138 1.00 75.50 H new ATOM 0 HD3 LYS A 85 9.182 -18.355 -23.219 1.00 75.50 H new ATOM 0 HE2 LYS A 85 9.662 -20.434 -22.283 1.00 23.41 H new ATOM 0 HE3 LYS A 85 9.010 -20.004 -20.714 1.00 23.41 H new ATOM 0 HZ1 LYS A 85 7.588 -21.580 -21.852 1.00 1.33 H new ATOM 0 HZ2 LYS A 85 6.771 -20.105 -21.647 1.00 1.33 H new ATOM 0 HZ3 LYS A 85 7.403 -20.522 -23.167 1.00 1.33 H new ATOM 1348 N VAL A 86 7.493 -15.329 -19.241 1.00 20.24 N ATOM 1349 CA VAL A 86 7.351 -15.141 -17.802 1.00 32.22 C ATOM 1350 C VAL A 86 8.239 -16.110 -17.030 1.00 64.54 C ATOM 1351 O VAL A 86 8.003 -17.319 -17.030 1.00 51.02 O ATOM 1352 CB VAL A 86 5.890 -15.332 -17.352 1.00 61.44 C ATOM 1353 CG1 VAL A 86 5.764 -15.137 -15.849 1.00 73.52 C ATOM 1354 CG2 VAL A 86 4.973 -14.377 -18.101 1.00 43.21 C ATOM 0 H VAL A 86 6.646 -15.649 -19.710 1.00 20.24 H new ATOM 0 HA VAL A 86 7.660 -14.118 -17.585 1.00 32.22 H new ATOM 0 HB VAL A 86 5.586 -16.352 -17.588 1.00 61.44 H new ATOM 0 HG11 VAL A 86 4.725 -15.276 -15.550 1.00 73.52 H new ATOM 0 HG12 VAL A 86 6.390 -15.865 -15.334 1.00 73.52 H new ATOM 0 HG13 VAL A 86 6.086 -14.130 -15.584 1.00 73.52 H new ATOM 0 HG21 VAL A 86 3.945 -14.526 -17.771 1.00 43.21 H new ATOM 0 HG22 VAL A 86 5.274 -13.349 -17.898 1.00 43.21 H new ATOM 0 HG23 VAL A 86 5.042 -14.571 -19.171 1.00 43.21 H new ATOM 1364 N ILE A 87 9.262 -15.573 -16.374 1.00 13.32 N ATOM 1365 CA ILE A 87 10.185 -16.390 -15.597 1.00 31.23 C ATOM 1366 C ILE A 87 10.027 -16.129 -14.103 1.00 35.13 C ATOM 1367 O ILE A 87 9.214 -15.301 -13.689 1.00 1.04 O ATOM 1368 CB ILE A 87 11.648 -16.126 -16.000 1.00 55.04 C ATOM 1369 CG1 ILE A 87 11.932 -14.623 -16.014 1.00 50.43 C ATOM 1370 CG2 ILE A 87 11.940 -16.739 -17.362 1.00 1.41 C ATOM 1371 CD1 ILE A 87 13.363 -14.282 -16.366 1.00 2.34 C ATOM 0 H ILE A 87 9.472 -14.575 -16.365 1.00 13.32 H new ATOM 0 HA ILE A 87 9.940 -17.431 -15.810 1.00 31.23 H new ATOM 0 HB ILE A 87 12.303 -16.593 -15.265 1.00 55.04 H new ATOM 0 HG12 ILE A 87 11.266 -14.142 -16.730 1.00 50.43 H new ATOM 0 HG13 ILE A 87 11.699 -14.208 -15.033 1.00 50.43 H new ATOM 0 HG21 ILE A 87 12.978 -16.544 -17.634 1.00 1.41 H new ATOM 0 HG22 ILE A 87 11.771 -17.815 -17.320 1.00 1.41 H new ATOM 0 HG23 ILE A 87 11.280 -16.297 -18.109 1.00 1.41 H new ATOM 0 HD11 ILE A 87 13.492 -13.200 -16.357 1.00 2.34 H new ATOM 0 HD12 ILE A 87 14.035 -14.734 -15.636 1.00 2.34 H new ATOM 0 HD13 ILE A 87 13.595 -14.667 -17.359 1.00 2.34 H new ATOM 1383 N LEU A 88 10.809 -16.839 -13.298 1.00 31.24 N ATOM 1384 CA LEU A 88 10.758 -16.683 -11.848 1.00 34.40 C ATOM 1385 C LEU A 88 11.986 -15.938 -11.337 1.00 1.14 C ATOM 1386 O LEU A 88 11.943 -15.293 -10.289 1.00 1.03 O ATOM 1387 CB LEU A 88 10.659 -18.052 -11.171 1.00 40.24 C ATOM 1388 CG LEU A 88 9.552 -18.975 -11.681 1.00 54.44 C ATOM 1389 CD1 LEU A 88 9.708 -20.370 -11.097 1.00 50.20 C ATOM 1390 CD2 LEU A 88 8.183 -18.403 -11.343 1.00 13.24 C ATOM 0 H LEU A 88 11.486 -17.529 -13.624 1.00 31.24 H new ATOM 0 HA LEU A 88 9.872 -16.098 -11.601 1.00 34.40 H new ATOM 0 HB2 LEU A 88 11.614 -18.563 -11.290 1.00 40.24 H new ATOM 0 HB3 LEU A 88 10.511 -17.897 -10.102 1.00 40.24 H new ATOM 0 HG LEU A 88 9.636 -19.047 -12.765 1.00 54.44 H new ATOM 0 HD11 LEU A 88 8.911 -21.012 -11.472 1.00 50.20 H new ATOM 0 HD12 LEU A 88 10.674 -20.781 -11.390 1.00 50.20 H new ATOM 0 HD13 LEU A 88 9.651 -20.318 -10.010 1.00 50.20 H new ATOM 0 HD21 LEU A 88 7.407 -19.073 -11.714 1.00 13.24 H new ATOM 0 HD22 LEU A 88 8.088 -18.301 -10.262 1.00 13.24 H new ATOM 0 HD23 LEU A 88 8.072 -17.425 -11.811 1.00 13.24 H new ATOM 1402 N LYS A 89 13.081 -16.029 -12.084 1.00 54.24 N ATOM 1403 CA LYS A 89 14.321 -15.361 -11.710 1.00 43.40 C ATOM 1404 C LYS A 89 15.070 -14.871 -12.946 1.00 11.14 C ATOM 1405 O LYS A 89 14.846 -15.360 -14.054 1.00 4.02 O ATOM 1406 CB LYS A 89 15.212 -16.308 -10.903 1.00 72.44 C ATOM 1407 CG LYS A 89 14.555 -16.831 -9.638 1.00 14.24 C ATOM 1408 CD LYS A 89 15.384 -17.927 -8.990 1.00 60.13 C ATOM 1409 CE LYS A 89 16.497 -17.349 -8.129 1.00 72.33 C ATOM 1410 NZ LYS A 89 17.490 -18.387 -7.736 1.00 73.22 N ATOM 0 H LYS A 89 13.134 -16.560 -12.953 1.00 54.24 H new ATOM 0 HA LYS A 89 14.067 -14.498 -11.094 1.00 43.40 H new ATOM 0 HB2 LYS A 89 15.494 -17.153 -11.532 1.00 72.44 H new ATOM 0 HB3 LYS A 89 16.132 -15.788 -10.636 1.00 72.44 H new ATOM 0 HG2 LYS A 89 14.419 -16.011 -8.932 1.00 14.24 H new ATOM 0 HG3 LYS A 89 13.563 -17.216 -9.875 1.00 14.24 H new ATOM 0 HD2 LYS A 89 14.740 -18.558 -8.378 1.00 60.13 H new ATOM 0 HD3 LYS A 89 15.814 -18.564 -9.763 1.00 60.13 H new ATOM 0 HE2 LYS A 89 17.002 -16.552 -8.675 1.00 72.33 H new ATOM 0 HE3 LYS A 89 16.067 -16.900 -7.234 1.00 72.33 H new ATOM 0 HZ1 LYS A 89 18.232 -17.953 -7.150 1.00 73.22 H new ATOM 0 HZ2 LYS A 89 17.014 -19.135 -7.193 1.00 73.22 H new ATOM 0 HZ3 LYS A 89 17.919 -18.798 -8.590 1.00 73.22 H new ATOM 1424 N LEU A 90 15.960 -13.904 -12.748 1.00 74.41 N ATOM 1425 CA LEU A 90 16.743 -13.350 -13.847 1.00 11.44 C ATOM 1426 C LEU A 90 18.112 -14.017 -13.931 1.00 73.40 C ATOM 1427 O LEU A 90 18.699 -14.384 -12.913 1.00 14.34 O ATOM 1428 CB LEU A 90 16.910 -11.840 -13.668 1.00 53.53 C ATOM 1429 CG LEU A 90 15.659 -11.072 -13.238 1.00 70.31 C ATOM 1430 CD1 LEU A 90 16.016 -9.648 -12.841 1.00 64.40 C ATOM 1431 CD2 LEU A 90 14.623 -11.073 -14.353 1.00 21.02 C ATOM 0 H LEU A 90 16.157 -13.488 -11.838 1.00 74.41 H new ATOM 0 HA LEU A 90 16.207 -13.544 -14.776 1.00 11.44 H new ATOM 0 HB2 LEU A 90 17.691 -11.666 -12.928 1.00 53.53 H new ATOM 0 HB3 LEU A 90 17.264 -11.420 -14.609 1.00 53.53 H new ATOM 0 HG LEU A 90 15.230 -11.572 -12.370 1.00 70.31 H new ATOM 0 HD11 LEU A 90 15.113 -9.118 -12.538 1.00 64.40 H new ATOM 0 HD12 LEU A 90 16.721 -9.668 -12.010 1.00 64.40 H new ATOM 0 HD13 LEU A 90 16.470 -9.137 -13.690 1.00 64.40 H new ATOM 0 HD21 LEU A 90 13.740 -10.522 -14.030 1.00 21.02 H new ATOM 0 HD22 LEU A 90 15.042 -10.598 -15.240 1.00 21.02 H new ATOM 0 HD23 LEU A 90 14.344 -12.100 -14.589 1.00 21.02 H new ATOM 1443 N ASP A 91 18.615 -14.171 -15.151 1.00 1.43 N ATOM 1444 CA ASP A 91 19.917 -14.791 -15.368 1.00 73.23 C ATOM 1445 C ASP A 91 21.040 -13.776 -15.185 1.00 4.21 C ATOM 1446 O ASP A 91 22.167 -14.136 -14.843 1.00 70.44 O ATOM 1447 CB ASP A 91 19.987 -15.401 -16.769 1.00 41.02 C ATOM 1448 CG ASP A 91 19.256 -16.726 -16.861 1.00 51.24 C ATOM 1449 OD1 ASP A 91 19.261 -17.477 -15.864 1.00 20.43 O ATOM 1450 OD2 ASP A 91 18.678 -17.011 -17.931 1.00 11.22 O ATOM 0 H ASP A 91 18.141 -13.875 -16.004 1.00 1.43 H new ATOM 0 HA ASP A 91 20.043 -15.582 -14.629 1.00 73.23 H new ATOM 0 HB2 ASP A 91 19.559 -14.703 -17.488 1.00 41.02 H new ATOM 0 HB3 ASP A 91 21.031 -15.545 -17.048 1.00 41.02 H new ATOM 1455 N TYR A 92 20.726 -12.506 -15.415 1.00 43.11 N ATOM 1456 CA TYR A 92 21.710 -11.438 -15.279 1.00 22.52 C ATOM 1457 C TYR A 92 21.506 -10.672 -13.976 1.00 33.15 C ATOM 1458 O TYR A 92 20.463 -10.788 -13.331 1.00 43.12 O ATOM 1459 CB TYR A 92 21.621 -10.479 -16.467 1.00 32.21 C ATOM 1460 CG TYR A 92 22.387 -10.948 -17.683 1.00 20.40 C ATOM 1461 CD1 TYR A 92 23.776 -10.962 -17.691 1.00 3.22 C ATOM 1462 CD2 TYR A 92 21.721 -11.379 -18.824 1.00 63.30 C ATOM 1463 CE1 TYR A 92 24.480 -11.389 -18.800 1.00 42.10 C ATOM 1464 CE2 TYR A 92 22.417 -11.810 -19.937 1.00 40.43 C ATOM 1465 CZ TYR A 92 23.796 -11.812 -19.921 1.00 22.04 C ATOM 1466 OH TYR A 92 24.494 -12.240 -21.027 1.00 52.40 O ATOM 0 H TYR A 92 19.798 -12.191 -15.697 1.00 43.11 H new ATOM 0 HA TYR A 92 22.701 -11.892 -15.261 1.00 22.52 H new ATOM 0 HB2 TYR A 92 20.574 -10.345 -16.737 1.00 32.21 H new ATOM 0 HB3 TYR A 92 21.999 -9.503 -16.164 1.00 32.21 H new ATOM 0 HD1 TYR A 92 24.315 -10.633 -16.815 1.00 3.22 H new ATOM 0 HD2 TYR A 92 20.641 -11.377 -18.841 1.00 63.30 H new ATOM 0 HE1 TYR A 92 25.560 -11.392 -18.790 1.00 42.10 H new ATOM 0 HE2 TYR A 92 21.884 -12.144 -20.815 1.00 40.43 H new ATOM 0 HH TYR A 92 23.864 -12.505 -21.729 1.00 52.40 H new ATOM 1476 N SER A 93 22.509 -9.888 -13.594 1.00 21.31 N ATOM 1477 CA SER A 93 22.442 -9.104 -12.366 1.00 64.42 C ATOM 1478 C SER A 93 22.429 -7.610 -12.676 1.00 25.44 C ATOM 1479 O SER A 93 21.894 -6.811 -11.908 1.00 12.12 O ATOM 1480 CB SER A 93 23.627 -9.438 -11.458 1.00 22.43 C ATOM 1481 OG SER A 93 23.291 -9.255 -10.093 1.00 61.33 O ATOM 0 H SER A 93 23.378 -9.779 -14.117 1.00 21.31 H new ATOM 0 HA SER A 93 21.516 -9.359 -11.851 1.00 64.42 H new ATOM 0 HB2 SER A 93 23.937 -10.470 -11.624 1.00 22.43 H new ATOM 0 HB3 SER A 93 24.476 -8.805 -11.715 1.00 22.43 H new ATOM 0 HG SER A 93 24.064 -9.476 -9.533 1.00 61.33 H new ATOM 1487 N ASP A 94 23.023 -7.242 -13.805 1.00 42.33 N ATOM 1488 CA ASP A 94 23.080 -5.844 -14.218 1.00 70.34 C ATOM 1489 C ASP A 94 23.283 -5.731 -15.726 1.00 64.21 C ATOM 1490 O ASP A 94 24.075 -6.469 -16.313 1.00 73.34 O ATOM 1491 CB ASP A 94 24.208 -5.118 -13.483 1.00 72.53 C ATOM 1492 CG ASP A 94 25.579 -5.495 -14.010 1.00 33.33 C ATOM 1493 OD1 ASP A 94 25.947 -5.014 -15.101 1.00 63.54 O ATOM 1494 OD2 ASP A 94 26.283 -6.272 -13.330 1.00 54.13 O ATOM 0 H ASP A 94 23.472 -7.891 -14.451 1.00 42.33 H new ATOM 0 HA ASP A 94 22.130 -5.376 -13.961 1.00 70.34 H new ATOM 0 HB2 ASP A 94 24.068 -4.042 -13.581 1.00 72.53 H new ATOM 0 HB3 ASP A 94 24.154 -5.351 -12.420 1.00 72.53 H new ATOM 1499 N PHE A 95 22.563 -4.803 -16.347 1.00 60.22 N ATOM 1500 CA PHE A 95 22.663 -4.595 -17.787 1.00 53.30 C ATOM 1501 C PHE A 95 24.117 -4.410 -18.210 1.00 70.15 C ATOM 1502 O PHE A 95 24.855 -3.631 -17.608 1.00 31.22 O ATOM 1503 CB PHE A 95 21.839 -3.375 -18.205 1.00 41.14 C ATOM 1504 CG PHE A 95 21.324 -3.454 -19.614 1.00 32.00 C ATOM 1505 CD1 PHE A 95 22.194 -3.374 -20.689 1.00 72.35 C ATOM 1506 CD2 PHE A 95 19.970 -3.609 -19.863 1.00 14.34 C ATOM 1507 CE1 PHE A 95 21.722 -3.446 -21.987 1.00 31.15 C ATOM 1508 CE2 PHE A 95 19.492 -3.681 -21.158 1.00 31.43 C ATOM 1509 CZ PHE A 95 20.370 -3.601 -22.221 1.00 34.01 C ATOM 0 H PHE A 95 21.904 -4.183 -15.876 1.00 60.22 H new ATOM 0 HA PHE A 95 22.268 -5.480 -18.286 1.00 53.30 H new ATOM 0 HB2 PHE A 95 20.995 -3.266 -17.524 1.00 41.14 H new ATOM 0 HB3 PHE A 95 22.451 -2.479 -18.100 1.00 41.14 H new ATOM 0 HD1 PHE A 95 23.253 -3.254 -20.512 1.00 72.35 H new ATOM 0 HD2 PHE A 95 19.279 -3.674 -19.035 1.00 14.34 H new ATOM 0 HE1 PHE A 95 22.410 -3.381 -22.817 1.00 31.15 H new ATOM 0 HE2 PHE A 95 18.434 -3.800 -21.338 1.00 31.43 H new ATOM 0 HZ PHE A 95 20.000 -3.660 -23.234 1.00 34.01 H new ATOM 1519 N GLN A 96 24.521 -5.133 -19.250 1.00 54.13 N ATOM 1520 CA GLN A 96 25.887 -5.050 -19.754 1.00 14.14 C ATOM 1521 C GLN A 96 25.899 -4.869 -21.268 1.00 32.41 C ATOM 1522 O GLN A 96 24.912 -5.160 -21.945 1.00 41.31 O ATOM 1523 CB GLN A 96 26.671 -6.307 -19.372 1.00 15.45 C ATOM 1524 CG GLN A 96 28.177 -6.104 -19.360 1.00 0.20 C ATOM 1525 CD GLN A 96 28.611 -5.007 -18.408 1.00 10.21 C ATOM 1526 OE1 GLN A 96 27.848 -4.587 -17.538 1.00 10.54 O ATOM 1527 NE2 GLN A 96 29.842 -4.536 -18.568 1.00 64.51 N ATOM 0 H GLN A 96 23.922 -5.782 -19.760 1.00 54.13 H new ATOM 0 HA GLN A 96 26.363 -4.181 -19.299 1.00 14.14 H new ATOM 0 HB2 GLN A 96 26.350 -6.640 -18.385 1.00 15.45 H new ATOM 0 HB3 GLN A 96 26.426 -7.105 -20.073 1.00 15.45 H new ATOM 0 HG2 GLN A 96 28.663 -7.038 -19.078 1.00 0.20 H new ATOM 0 HG3 GLN A 96 28.515 -5.860 -20.367 1.00 0.20 H new ATOM 0 HE21 GLN A 96 30.441 -4.913 -19.302 1.00 64.51 H new ATOM 0 HE22 GLN A 96 30.189 -3.797 -17.956 1.00 64.51 H new ATOM 1536 N ILE A 97 27.021 -4.388 -21.792 1.00 72.54 N ATOM 1537 CA ILE A 97 27.161 -4.170 -23.227 1.00 32.22 C ATOM 1538 C ILE A 97 27.973 -5.285 -23.876 1.00 24.52 C ATOM 1539 O ILE A 97 29.071 -5.612 -23.424 1.00 31.51 O ATOM 1540 CB ILE A 97 27.834 -2.818 -23.527 1.00 60.14 C ATOM 1541 CG1 ILE A 97 27.089 -1.684 -22.821 1.00 34.14 C ATOM 1542 CG2 ILE A 97 27.883 -2.573 -25.028 1.00 53.31 C ATOM 1543 CD1 ILE A 97 27.801 -0.352 -22.899 1.00 11.13 C ATOM 0 H ILE A 97 27.846 -4.142 -21.245 1.00 72.54 H new ATOM 0 HA ILE A 97 26.155 -4.167 -23.646 1.00 32.22 H new ATOM 0 HB ILE A 97 28.856 -2.846 -23.149 1.00 60.14 H new ATOM 0 HG12 ILE A 97 26.097 -1.583 -23.261 1.00 34.14 H new ATOM 0 HG13 ILE A 97 26.947 -1.950 -21.774 1.00 34.14 H new ATOM 0 HG21 ILE A 97 28.361 -1.614 -25.225 1.00 53.31 H new ATOM 0 HG22 ILE A 97 28.454 -3.368 -25.508 1.00 53.31 H new ATOM 0 HG23 ILE A 97 26.869 -2.562 -25.428 1.00 53.31 H new ATOM 0 HD11 ILE A 97 27.215 0.405 -22.377 1.00 11.13 H new ATOM 0 HD12 ILE A 97 28.783 -0.436 -22.433 1.00 11.13 H new ATOM 0 HD13 ILE A 97 27.919 -0.063 -23.943 1.00 11.13 H new ATOM 1555 N VAL A 98 27.428 -5.865 -24.940 1.00 73.51 N ATOM 1556 CA VAL A 98 28.103 -6.942 -25.654 1.00 71.52 C ATOM 1557 C VAL A 98 29.240 -6.403 -26.515 1.00 32.12 C ATOM 1558 O VAL A 98 29.047 -5.490 -27.318 1.00 14.03 O ATOM 1559 CB VAL A 98 27.122 -7.724 -26.549 1.00 44.41 C ATOM 1560 CG1 VAL A 98 27.843 -8.848 -27.277 1.00 24.12 C ATOM 1561 CG2 VAL A 98 25.966 -8.267 -25.724 1.00 12.01 C ATOM 0 H VAL A 98 26.520 -5.607 -25.327 1.00 73.51 H new ATOM 0 HA VAL A 98 28.510 -7.615 -24.899 1.00 71.52 H new ATOM 0 HB VAL A 98 26.716 -7.042 -27.296 1.00 44.41 H new ATOM 0 HG11 VAL A 98 27.134 -9.389 -27.904 1.00 24.12 H new ATOM 0 HG12 VAL A 98 28.633 -8.430 -27.900 1.00 24.12 H new ATOM 0 HG13 VAL A 98 28.279 -9.532 -26.549 1.00 24.12 H new ATOM 0 HG21 VAL A 98 25.283 -8.816 -26.372 1.00 12.01 H new ATOM 0 HG22 VAL A 98 26.351 -8.935 -24.953 1.00 12.01 H new ATOM 0 HG23 VAL A 98 25.434 -7.440 -25.254 1.00 12.01 H new ATOM 1571 N LYS A 99 30.427 -6.974 -26.342 1.00 61.14 N ATOM 1572 CA LYS A 99 31.597 -6.553 -27.104 1.00 70.11 C ATOM 1573 C LYS A 99 31.310 -6.580 -28.602 1.00 14.31 C ATOM 1574 O LYS A 99 31.729 -5.688 -29.340 1.00 54.21 O ATOM 1575 CB LYS A 99 32.790 -7.457 -26.787 1.00 22.32 C ATOM 1576 CG LYS A 99 32.580 -8.906 -27.191 1.00 33.21 C ATOM 1577 CD LYS A 99 33.843 -9.728 -26.998 1.00 20.13 C ATOM 1578 CE LYS A 99 33.647 -11.167 -27.451 1.00 52.31 C ATOM 1579 NZ LYS A 99 33.904 -11.329 -28.909 1.00 11.31 N ATOM 0 H LYS A 99 30.604 -7.730 -25.681 1.00 61.14 H new ATOM 0 HA LYS A 99 31.837 -5.530 -26.816 1.00 70.11 H new ATOM 0 HB2 LYS A 99 33.673 -7.071 -27.296 1.00 22.32 H new ATOM 0 HB3 LYS A 99 32.994 -7.413 -25.717 1.00 22.32 H new ATOM 0 HG2 LYS A 99 31.771 -9.336 -26.600 1.00 33.21 H new ATOM 0 HG3 LYS A 99 32.271 -8.952 -28.235 1.00 33.21 H new ATOM 0 HD2 LYS A 99 34.661 -9.277 -27.560 1.00 20.13 H new ATOM 0 HD3 LYS A 99 34.131 -9.712 -25.947 1.00 20.13 H new ATOM 0 HE2 LYS A 99 34.316 -11.819 -26.890 1.00 52.31 H new ATOM 0 HE3 LYS A 99 32.629 -11.484 -27.224 1.00 52.31 H new ATOM 0 HZ1 LYS A 99 33.760 -12.323 -29.179 1.00 11.31 H new ATOM 0 HZ2 LYS A 99 33.248 -10.726 -29.446 1.00 11.31 H new ATOM 0 HZ3 LYS A 99 34.883 -11.051 -29.122 1.00 11.31 H new TER 1593 LYS A 99