USER MOD reduce.3.24.130724 H: found=0, std=0, add=1213, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1209 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 138 GLN :FLIP amide:sc= 0.763 F(o=0.26,f=1.5) USER MOD Set 1.2: A 142 ASN :FLIP amide:sc= 0.714 F(o=0.26,f=1.5) USER MOD Set 2.1: A 74 GLN : amide:sc= 0.0938 K(o=0.6,f=-1.1) USER MOD Set 2.2: A 98 TYR OH : rot 180:sc= 0.504 USER MOD Set 3.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 129 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 21 THR OG1 : rot 180:sc= 0.0131 USER MOD Set 4.2: A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.132 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 170:sc= 0.0114 USER MOD Single : A 27 GLN : amide:sc= 1.49 K(o=1.5,f=-7.4!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -53:sc= 1.23 USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00369) USER MOD Single : A 36 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.19) USER MOD Single : A 37 THR OG1 : rot -171:sc= 0.578 USER MOD Single : A 48 THR OG1 : rot 156:sc= 1.33 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0741 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 0.742 (180deg=0.622) USER MOD Single : A 64 SER OG : rot -37:sc= 0.166 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -158:sc= 0 (180deg=-0.212) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -129:sc= 1.15 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 177:sc= 0.261 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.608 F(o=-1.6,f=-0.61) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0.788 K(o=0.79,f=-0.27) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 130:sc= 1.65 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot -49:sc= 0.152 USER MOD Single : A 127 TYR OH : rot -15:sc= -0.681 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 160:sc= 0 USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 144 LYS NZ :NH3+ -162:sc= -0.127 (180deg=-0.601) USER MOD Single : A 147 ASN : amide:sc= 0.601 K(o=0.6,f=-10!) USER MOD Single : A 151 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.963) USER MOD Single : A 154 HIS :FLIP no HD1:sc= -0.133 F(o=-0.68,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.373 -13.632 9.857 1.00 10.31 N ATOM 2 CA GLY A 1 -25.674 -14.414 8.832 1.00 70.40 C ATOM 3 C GLY A 1 -26.641 -14.861 7.759 1.00 21.41 C ATOM 4 O GLY A 1 -27.845 -14.645 7.892 1.00 62.11 O ATOM 0 H1 GLY A 1 -26.019 -12.654 9.849 1.00 10.31 H new ATOM 0 H2 GLY A 1 -27.394 -13.633 9.658 1.00 10.31 H new ATOM 0 H3 GLY A 1 -26.202 -14.054 10.792 1.00 10.31 H new ATOM 0 HA2 GLY A 1 -24.879 -13.815 8.388 1.00 70.40 H new ATOM 0 HA3 GLY A 1 -25.200 -15.283 9.289 1.00 70.40 H new ATOM 8 N ASP A 2 -26.100 -15.488 6.715 1.00 14.25 N ATOM 9 CA ASP A 2 -26.764 -15.749 5.438 1.00 23.43 C ATOM 10 C ASP A 2 -27.242 -14.458 4.752 1.00 71.54 C ATOM 11 O ASP A 2 -26.949 -13.353 5.222 1.00 43.12 O ATOM 12 CB ASP A 2 -27.829 -16.853 5.551 1.00 22.33 C ATOM 13 CG ASP A 2 -27.796 -17.669 4.262 1.00 14.41 C ATOM 14 OD1 ASP A 2 -26.967 -18.603 4.201 1.00 33.32 O ATOM 15 OD2 ASP A 2 -28.407 -17.249 3.254 1.00 31.42 O ATOM 0 H ASP A 2 -25.144 -15.844 6.737 1.00 14.25 H new ATOM 0 HA ASP A 2 -26.017 -16.157 4.757 1.00 23.43 H new ATOM 0 HB2 ASP A 2 -27.628 -17.491 6.412 1.00 22.33 H new ATOM 0 HB3 ASP A 2 -28.817 -16.417 5.701 1.00 22.33 H new ATOM 20 N SER A 3 -27.898 -14.571 3.594 1.00 71.41 N ATOM 21 CA SER A 3 -27.945 -13.557 2.551 1.00 53.24 C ATOM 22 C SER A 3 -26.523 -13.147 2.145 1.00 44.14 C ATOM 23 O SER A 3 -25.518 -13.723 2.576 1.00 32.33 O ATOM 24 CB SER A 3 -28.816 -12.374 3.019 1.00 65.53 C ATOM 25 OG SER A 3 -29.322 -11.571 1.963 1.00 12.03 O ATOM 0 H SER A 3 -28.430 -15.407 3.353 1.00 71.41 H new ATOM 0 HA SER A 3 -28.413 -13.959 1.652 1.00 53.24 H new ATOM 0 HB2 SER A 3 -29.653 -12.761 3.600 1.00 65.53 H new ATOM 0 HB3 SER A 3 -28.227 -11.746 3.688 1.00 65.53 H new ATOM 0 HG SER A 3 -29.864 -10.844 2.335 1.00 12.03 H new ATOM 31 N GLU A 4 -26.441 -12.143 1.288 1.00 71.34 N ATOM 32 CA GLU A 4 -25.270 -11.335 1.019 1.00 43.30 C ATOM 33 C GLU A 4 -25.811 -9.954 0.603 1.00 23.21 C ATOM 34 O GLU A 4 -26.988 -9.829 0.244 1.00 61.20 O ATOM 35 CB GLU A 4 -24.459 -12.024 -0.101 1.00 22.33 C ATOM 36 CG GLU A 4 -23.033 -11.488 -0.292 1.00 30.41 C ATOM 37 CD GLU A 4 -22.003 -12.072 0.671 1.00 33.42 C ATOM 38 OE1 GLU A 4 -21.671 -13.265 0.498 1.00 65.12 O ATOM 39 OE2 GLU A 4 -21.493 -11.295 1.522 1.00 54.14 O ATOM 0 H GLU A 4 -27.243 -11.855 0.728 1.00 71.34 H new ATOM 0 HA GLU A 4 -24.601 -11.222 1.872 1.00 43.30 H new ATOM 0 HB2 GLU A 4 -24.404 -13.091 0.114 1.00 22.33 H new ATOM 0 HB3 GLU A 4 -25.001 -11.916 -1.041 1.00 22.33 H new ATOM 0 HG2 GLU A 4 -22.715 -11.695 -1.314 1.00 30.41 H new ATOM 0 HG3 GLU A 4 -23.047 -10.404 -0.176 1.00 30.41 H new ATOM 46 N LEU A 5 -24.982 -8.912 0.606 1.00 12.01 N ATOM 47 CA LEU A 5 -25.249 -7.665 -0.099 1.00 73.45 C ATOM 48 C LEU A 5 -23.950 -7.250 -0.781 1.00 25.43 C ATOM 49 O LEU A 5 -22.917 -7.163 -0.116 1.00 3.04 O ATOM 50 CB LEU A 5 -25.768 -6.589 0.870 1.00 41.12 C ATOM 51 CG LEU A 5 -26.344 -5.367 0.124 1.00 12.31 C ATOM 52 CD1 LEU A 5 -27.731 -5.668 -0.460 1.00 35.53 C ATOM 53 CD2 LEU A 5 -26.457 -4.175 1.079 1.00 72.53 C ATOM 0 H LEU A 5 -24.093 -8.913 1.107 1.00 12.01 H new ATOM 0 HA LEU A 5 -26.032 -7.795 -0.846 1.00 73.45 H new ATOM 0 HB2 LEU A 5 -26.538 -7.019 1.510 1.00 41.12 H new ATOM 0 HB3 LEU A 5 -24.956 -6.266 1.522 1.00 41.12 H new ATOM 0 HG LEU A 5 -25.663 -5.131 -0.694 1.00 12.31 H new ATOM 0 HD11 LEU A 5 -28.107 -4.786 -0.978 1.00 35.53 H new ATOM 0 HD12 LEU A 5 -27.658 -6.498 -1.163 1.00 35.53 H new ATOM 0 HD13 LEU A 5 -28.415 -5.934 0.346 1.00 35.53 H new ATOM 0 HD21 LEU A 5 -26.864 -3.317 0.544 1.00 72.53 H new ATOM 0 HD22 LEU A 5 -27.117 -4.433 1.907 1.00 72.53 H new ATOM 0 HD23 LEU A 5 -25.470 -3.925 1.467 1.00 72.53 H new ATOM 65 N THR A 6 -23.986 -7.040 -2.093 1.00 74.24 N ATOM 66 CA THR A 6 -22.839 -6.695 -2.933 1.00 50.02 C ATOM 67 C THR A 6 -23.204 -5.682 -4.010 1.00 14.10 C ATOM 68 O THR A 6 -22.337 -5.284 -4.795 1.00 55.05 O ATOM 69 CB THR A 6 -22.233 -7.962 -3.544 1.00 62.11 C ATOM 70 OG1 THR A 6 -23.252 -8.786 -4.097 1.00 13.01 O ATOM 71 CG2 THR A 6 -21.425 -8.761 -2.520 1.00 1.42 C ATOM 0 H THR A 6 -24.853 -7.108 -2.626 1.00 74.24 H new ATOM 0 HA THR A 6 -22.090 -6.221 -2.299 1.00 50.02 H new ATOM 0 HB THR A 6 -21.554 -7.643 -4.335 1.00 62.11 H new ATOM 0 HG1 THR A 6 -22.848 -9.590 -4.485 1.00 13.01 H new ATOM 0 HG21 THR A 6 -21.013 -9.651 -2.996 1.00 1.42 H new ATOM 0 HG22 THR A 6 -20.611 -8.145 -2.138 1.00 1.42 H new ATOM 0 HG23 THR A 6 -22.074 -9.057 -1.696 1.00 1.42 H new ATOM 79 N THR A 7 -24.470 -5.253 -4.013 1.00 33.30 N ATOM 80 CA THR A 7 -25.096 -4.433 -5.032 1.00 55.22 C ATOM 81 C THR A 7 -24.735 -4.948 -6.437 1.00 52.44 C ATOM 82 O THR A 7 -24.374 -6.114 -6.612 1.00 72.44 O ATOM 83 CB THR A 7 -24.897 -2.942 -4.686 1.00 35.41 C ATOM 84 OG1 THR A 7 -25.689 -2.109 -5.509 1.00 73.33 O ATOM 85 CG2 THR A 7 -23.448 -2.468 -4.692 1.00 31.34 C ATOM 0 H THR A 7 -25.114 -5.487 -3.258 1.00 33.30 H new ATOM 0 HA THR A 7 -26.182 -4.523 -5.051 1.00 55.22 H new ATOM 0 HB THR A 7 -25.231 -2.858 -3.652 1.00 35.41 H new ATOM 0 HG1 THR A 7 -25.542 -1.172 -5.264 1.00 73.33 H new ATOM 0 HG21 THR A 7 -23.411 -1.409 -4.438 1.00 31.34 H new ATOM 0 HG22 THR A 7 -22.876 -3.038 -3.960 1.00 31.34 H new ATOM 0 HG23 THR A 7 -23.020 -2.618 -5.683 1.00 31.34 H new ATOM 93 N GLN A 8 -24.957 -4.133 -7.461 1.00 75.13 N ATOM 94 CA GLN A 8 -25.011 -4.563 -8.854 1.00 55.22 C ATOM 95 C GLN A 8 -24.204 -3.637 -9.769 1.00 3.04 C ATOM 96 O GLN A 8 -24.442 -3.604 -10.975 1.00 3.12 O ATOM 97 CB GLN A 8 -26.492 -4.720 -9.244 1.00 24.11 C ATOM 98 CG GLN A 8 -27.331 -3.441 -9.073 1.00 33.42 C ATOM 99 CD GLN A 8 -28.820 -3.763 -9.039 1.00 41.43 C ATOM 100 OE1 GLN A 8 -29.284 -4.500 -8.173 1.00 63.33 O ATOM 101 NE2 GLN A 8 -29.615 -3.168 -9.916 1.00 1.04 N ATOM 0 H GLN A 8 -25.108 -3.131 -7.344 1.00 75.13 H new ATOM 0 HA GLN A 8 -24.527 -5.532 -8.981 1.00 55.22 H new ATOM 0 HB2 GLN A 8 -26.550 -5.042 -10.284 1.00 24.11 H new ATOM 0 HB3 GLN A 8 -26.933 -5.513 -8.640 1.00 24.11 H new ATOM 0 HG2 GLN A 8 -27.044 -2.934 -8.151 1.00 33.42 H new ATOM 0 HG3 GLN A 8 -27.123 -2.753 -9.893 1.00 33.42 H new ATOM 0 HE21 GLN A 8 -29.219 -2.558 -10.631 1.00 1.04 H new ATOM 0 HE22 GLN A 8 -30.623 -3.320 -9.876 1.00 1.04 H new ATOM 110 N ASP A 9 -23.269 -2.868 -9.205 1.00 63.35 N ATOM 111 CA ASP A 9 -22.476 -1.869 -9.932 1.00 40.21 C ATOM 112 C ASP A 9 -21.034 -1.780 -9.406 1.00 72.15 C ATOM 113 O ASP A 9 -20.300 -0.835 -9.699 1.00 62.44 O ATOM 114 CB ASP A 9 -23.203 -0.522 -9.854 1.00 53.41 C ATOM 115 CG ASP A 9 -22.692 0.538 -10.827 1.00 51.31 C ATOM 116 OD1 ASP A 9 -22.135 0.197 -11.903 1.00 13.11 O ATOM 117 OD2 ASP A 9 -22.931 1.742 -10.566 1.00 42.13 O ATOM 0 H ASP A 9 -23.037 -2.922 -8.213 1.00 63.35 H new ATOM 0 HA ASP A 9 -22.386 -2.170 -10.976 1.00 40.21 H new ATOM 0 HB2 ASP A 9 -24.264 -0.686 -10.042 1.00 53.41 H new ATOM 0 HB3 ASP A 9 -23.115 -0.136 -8.839 1.00 53.41 H new ATOM 122 N GLY A 10 -20.615 -2.768 -8.616 1.00 64.13 N ATOM 123 CA GLY A 10 -19.329 -2.833 -7.943 1.00 44.25 C ATOM 124 C GLY A 10 -19.478 -2.445 -6.477 1.00 40.04 C ATOM 125 O GLY A 10 -20.276 -1.569 -6.134 1.00 54.43 O ATOM 0 H GLY A 10 -21.197 -3.583 -8.422 1.00 64.13 H new ATOM 0 HA2 GLY A 10 -18.922 -3.841 -8.020 1.00 44.25 H new ATOM 0 HA3 GLY A 10 -18.621 -2.165 -8.433 1.00 44.25 H new ATOM 129 N GLU A 11 -18.694 -3.088 -5.620 1.00 64.51 N ATOM 130 CA GLU A 11 -18.726 -2.974 -4.168 1.00 40.41 C ATOM 131 C GLU A 11 -18.385 -1.554 -3.689 1.00 12.03 C ATOM 132 O GLU A 11 -17.752 -0.779 -4.414 1.00 21.50 O ATOM 133 CB GLU A 11 -17.714 -4.003 -3.650 1.00 54.43 C ATOM 134 CG GLU A 11 -17.798 -4.328 -2.169 1.00 74.13 C ATOM 135 CD GLU A 11 -17.505 -5.807 -1.948 1.00 40.41 C ATOM 136 OE1 GLU A 11 -16.301 -6.155 -1.820 1.00 54.43 O ATOM 137 OE2 GLU A 11 -18.437 -6.631 -1.955 1.00 52.12 O ATOM 0 H GLU A 11 -17.978 -3.740 -5.939 1.00 64.51 H new ATOM 0 HA GLU A 11 -19.727 -3.167 -3.783 1.00 40.41 H new ATOM 0 HB2 GLU A 11 -17.844 -4.927 -4.213 1.00 54.43 H new ATOM 0 HB3 GLU A 11 -16.710 -3.637 -3.866 1.00 54.43 H new ATOM 0 HG2 GLU A 11 -17.085 -3.719 -1.613 1.00 74.13 H new ATOM 0 HG3 GLU A 11 -18.790 -4.084 -1.789 1.00 74.13 H new ATOM 144 N ASP A 12 -18.768 -1.209 -2.456 1.00 11.11 N ATOM 145 CA ASP A 12 -18.380 0.058 -1.821 1.00 22.51 C ATOM 146 C ASP A 12 -16.881 0.040 -1.539 1.00 51.33 C ATOM 147 O ASP A 12 -16.323 -1.021 -1.247 1.00 60.41 O ATOM 148 CB ASP A 12 -19.078 0.280 -0.465 1.00 13.22 C ATOM 149 CG ASP A 12 -19.243 1.764 -0.107 1.00 34.42 C ATOM 150 OD1 ASP A 12 -18.216 2.435 0.184 1.00 15.02 O ATOM 151 OD2 ASP A 12 -20.385 2.255 -0.083 1.00 64.14 O ATOM 0 H ASP A 12 -19.356 -1.799 -1.868 1.00 11.11 H new ATOM 0 HA ASP A 12 -18.669 0.852 -2.509 1.00 22.51 H new ATOM 0 HB2 ASP A 12 -20.060 -0.193 -0.487 1.00 13.22 H new ATOM 0 HB3 ASP A 12 -18.503 -0.214 0.318 1.00 13.22 H new ATOM 156 N PHE A 13 -16.279 1.227 -1.458 1.00 40.15 N ATOM 157 CA PHE A 13 -14.990 1.445 -0.818 1.00 41.11 C ATOM 158 C PHE A 13 -15.005 0.793 0.562 1.00 3.32 C ATOM 159 O PHE A 13 -14.217 -0.095 0.872 1.00 44.42 O ATOM 160 CB PHE A 13 -14.739 2.965 -0.695 1.00 0.32 C ATOM 161 CG PHE A 13 -13.411 3.393 -0.077 1.00 13.31 C ATOM 162 CD1 PHE A 13 -13.253 3.446 1.324 1.00 74.41 C ATOM 163 CD2 PHE A 13 -12.354 3.841 -0.895 1.00 32.41 C ATOM 164 CE1 PHE A 13 -12.053 3.916 1.889 1.00 4.10 C ATOM 165 CE2 PHE A 13 -11.148 4.293 -0.334 1.00 20.11 C ATOM 166 CZ PHE A 13 -10.996 4.335 1.061 1.00 35.21 C ATOM 0 H PHE A 13 -16.686 2.079 -1.845 1.00 40.15 H new ATOM 0 HA PHE A 13 -14.190 1.002 -1.411 1.00 41.11 H new ATOM 0 HB2 PHE A 13 -14.808 3.403 -1.691 1.00 0.32 H new ATOM 0 HB3 PHE A 13 -15.545 3.396 -0.101 1.00 0.32 H new ATOM 0 HD1 PHE A 13 -14.059 3.124 1.967 1.00 74.41 H new ATOM 0 HD2 PHE A 13 -12.473 3.837 -1.968 1.00 32.41 H new ATOM 0 HE1 PHE A 13 -11.943 3.955 2.963 1.00 4.10 H new ATOM 0 HE2 PHE A 13 -10.338 4.608 -0.975 1.00 20.11 H new ATOM 0 HZ PHE A 13 -10.072 4.687 1.496 1.00 35.21 H new ATOM 176 N LYS A 14 -15.934 1.225 1.413 1.00 41.33 N ATOM 177 CA LYS A 14 -15.913 0.888 2.826 1.00 51.32 C ATOM 178 C LYS A 14 -16.101 -0.614 3.025 1.00 12.21 C ATOM 179 O LYS A 14 -15.443 -1.181 3.891 1.00 33.43 O ATOM 180 CB LYS A 14 -16.957 1.749 3.561 1.00 35.32 C ATOM 181 CG LYS A 14 -16.504 2.217 4.949 1.00 1.34 C ATOM 182 CD LYS A 14 -15.320 3.202 4.914 1.00 63.34 C ATOM 183 CE LYS A 14 -14.931 3.550 6.350 1.00 75.52 C ATOM 184 NZ LYS A 14 -13.670 4.310 6.448 1.00 14.40 N ATOM 0 H LYS A 14 -16.718 1.817 1.139 1.00 41.33 H new ATOM 0 HA LYS A 14 -14.940 1.118 3.261 1.00 51.32 H new ATOM 0 HB2 LYS A 14 -17.189 2.622 2.951 1.00 35.32 H new ATOM 0 HB3 LYS A 14 -17.879 1.177 3.663 1.00 35.32 H new ATOM 0 HG2 LYS A 14 -17.345 2.691 5.455 1.00 1.34 H new ATOM 0 HG3 LYS A 14 -16.224 1.347 5.543 1.00 1.34 H new ATOM 0 HD2 LYS A 14 -14.474 2.757 4.390 1.00 63.34 H new ATOM 0 HD3 LYS A 14 -15.595 4.104 4.368 1.00 63.34 H new ATOM 0 HE2 LYS A 14 -15.733 4.131 6.805 1.00 75.52 H new ATOM 0 HE3 LYS A 14 -14.838 2.630 6.926 1.00 75.52 H new ATOM 0 HZ1 LYS A 14 -13.464 4.514 7.447 1.00 14.40 H new ATOM 0 HZ2 LYS A 14 -12.894 3.749 6.042 1.00 14.40 H new ATOM 0 HZ3 LYS A 14 -13.762 5.204 5.924 1.00 14.40 H new ATOM 198 N SER A 15 -16.913 -1.253 2.178 1.00 63.52 N ATOM 199 CA SER A 15 -17.204 -2.678 2.212 1.00 51.23 C ATOM 200 C SER A 15 -15.931 -3.507 2.007 1.00 42.23 C ATOM 201 O SER A 15 -15.682 -4.431 2.783 1.00 32.12 O ATOM 202 CB SER A 15 -18.280 -3.013 1.160 1.00 71.13 C ATOM 203 OG SER A 15 -19.294 -3.850 1.672 1.00 54.44 O ATOM 0 H SER A 15 -17.401 -0.769 1.424 1.00 63.52 H new ATOM 0 HA SER A 15 -17.594 -2.938 3.196 1.00 51.23 H new ATOM 0 HB2 SER A 15 -18.727 -2.088 0.795 1.00 71.13 H new ATOM 0 HB3 SER A 15 -17.809 -3.499 0.305 1.00 71.13 H new ATOM 0 HG SER A 15 -19.953 -4.033 0.970 1.00 54.44 H new ATOM 209 N PHE A 16 -15.106 -3.212 0.989 1.00 2.03 N ATOM 210 CA PHE A 16 -13.886 -4.003 0.805 1.00 54.14 C ATOM 211 C PHE A 16 -12.821 -3.587 1.819 1.00 43.43 C ATOM 212 O PHE A 16 -12.104 -4.442 2.350 1.00 75.53 O ATOM 213 CB PHE A 16 -13.381 -3.940 -0.643 1.00 24.44 C ATOM 214 CG PHE A 16 -12.370 -2.860 -0.968 1.00 32.51 C ATOM 215 CD1 PHE A 16 -12.798 -1.565 -1.295 1.00 41.45 C ATOM 216 CD2 PHE A 16 -10.996 -3.168 -0.995 1.00 24.54 C ATOM 217 CE1 PHE A 16 -11.856 -0.565 -1.586 1.00 12.14 C ATOM 218 CE2 PHE A 16 -10.060 -2.185 -1.356 1.00 15.14 C ATOM 219 CZ PHE A 16 -10.489 -0.875 -1.619 1.00 43.25 C ATOM 0 H PHE A 16 -15.253 -2.465 0.310 1.00 2.03 H new ATOM 0 HA PHE A 16 -14.123 -5.050 0.994 1.00 54.14 H new ATOM 0 HB2 PHE A 16 -12.939 -4.905 -0.891 1.00 24.44 H new ATOM 0 HB3 PHE A 16 -14.242 -3.807 -1.298 1.00 24.44 H new ATOM 0 HD1 PHE A 16 -13.853 -1.337 -1.323 1.00 41.45 H new ATOM 0 HD2 PHE A 16 -10.661 -4.162 -0.738 1.00 24.54 H new ATOM 0 HE1 PHE A 16 -12.185 0.444 -1.785 1.00 12.14 H new ATOM 0 HE2 PHE A 16 -9.012 -2.437 -1.431 1.00 15.14 H new ATOM 0 HZ PHE A 16 -9.766 -0.106 -1.847 1.00 43.25 H new ATOM 229 N LEU A 17 -12.734 -2.283 2.113 1.00 43.02 N ATOM 230 CA LEU A 17 -11.700 -1.727 2.978 1.00 52.14 C ATOM 231 C LEU A 17 -11.857 -2.278 4.408 1.00 4.23 C ATOM 232 O LEU A 17 -10.874 -2.543 5.095 1.00 23.22 O ATOM 233 CB LEU A 17 -11.755 -0.186 2.875 1.00 15.41 C ATOM 234 CG LEU A 17 -10.494 0.618 3.241 1.00 44.44 C ATOM 235 CD1 LEU A 17 -10.053 0.453 4.693 1.00 72.45 C ATOM 236 CD2 LEU A 17 -9.333 0.315 2.284 1.00 60.14 C ATOM 0 H LEU A 17 -13.385 -1.585 1.753 1.00 43.02 H new ATOM 0 HA LEU A 17 -10.702 -2.031 2.662 1.00 52.14 H new ATOM 0 HB2 LEU A 17 -12.025 0.069 1.850 1.00 15.41 H new ATOM 0 HB3 LEU A 17 -12.567 0.161 3.514 1.00 15.41 H new ATOM 0 HG LEU A 17 -10.780 1.664 3.127 1.00 44.44 H new ATOM 0 HD11 LEU A 17 -9.159 1.050 4.872 1.00 72.45 H new ATOM 0 HD12 LEU A 17 -10.851 0.787 5.356 1.00 72.45 H new ATOM 0 HD13 LEU A 17 -9.834 -0.596 4.890 1.00 72.45 H new ATOM 0 HD21 LEU A 17 -8.460 0.901 2.574 1.00 60.14 H new ATOM 0 HD22 LEU A 17 -9.090 -0.746 2.332 1.00 60.14 H new ATOM 0 HD23 LEU A 17 -9.623 0.575 1.266 1.00 60.14 H new ATOM 248 N ASP A 18 -13.084 -2.585 4.836 1.00 34.51 N ATOM 249 CA ASP A 18 -13.373 -3.116 6.169 1.00 53.14 C ATOM 250 C ASP A 18 -12.603 -4.411 6.453 1.00 12.14 C ATOM 251 O ASP A 18 -11.920 -4.524 7.477 1.00 14.04 O ATOM 252 CB ASP A 18 -14.878 -3.347 6.321 1.00 61.44 C ATOM 253 CG ASP A 18 -15.257 -3.536 7.781 1.00 13.43 C ATOM 254 OD1 ASP A 18 -15.155 -4.652 8.328 1.00 4.30 O ATOM 255 OD2 ASP A 18 -15.661 -2.539 8.420 1.00 34.24 O ATOM 0 H ASP A 18 -13.916 -2.470 4.257 1.00 34.51 H new ATOM 0 HA ASP A 18 -13.042 -2.378 6.899 1.00 53.14 H new ATOM 0 HB2 ASP A 18 -15.423 -2.499 5.907 1.00 61.44 H new ATOM 0 HB3 ASP A 18 -15.174 -4.226 5.748 1.00 61.44 H new ATOM 260 N LYS A 19 -12.687 -5.394 5.547 1.00 5.22 N ATOM 261 CA LYS A 19 -11.903 -6.615 5.644 1.00 22.12 C ATOM 262 C LYS A 19 -10.452 -6.369 5.270 1.00 4.41 C ATOM 263 O LYS A 19 -9.609 -7.141 5.720 1.00 3.04 O ATOM 264 CB LYS A 19 -12.504 -7.715 4.755 1.00 42.03 C ATOM 265 CG LYS A 19 -13.587 -8.523 5.491 1.00 54.22 C ATOM 266 CD LYS A 19 -14.148 -9.681 4.643 1.00 24.20 C ATOM 267 CE LYS A 19 -15.630 -9.954 4.963 1.00 54.03 C ATOM 268 NZ LYS A 19 -16.310 -10.772 3.929 1.00 33.34 N ATOM 0 H LYS A 19 -13.300 -5.358 4.732 1.00 5.22 H new ATOM 0 HA LYS A 19 -11.933 -6.948 6.682 1.00 22.12 H new ATOM 0 HB2 LYS A 19 -12.933 -7.264 3.860 1.00 42.03 H new ATOM 0 HB3 LYS A 19 -11.712 -8.387 4.424 1.00 42.03 H new ATOM 0 HG2 LYS A 19 -13.170 -8.924 6.415 1.00 54.22 H new ATOM 0 HG3 LYS A 19 -14.402 -7.857 5.773 1.00 54.22 H new ATOM 0 HD2 LYS A 19 -14.042 -9.442 3.585 1.00 24.20 H new ATOM 0 HD3 LYS A 19 -13.564 -10.583 4.826 1.00 24.20 H new ATOM 0 HE2 LYS A 19 -15.700 -10.464 5.924 1.00 54.03 H new ATOM 0 HE3 LYS A 19 -16.154 -9.004 5.068 1.00 54.03 H new ATOM 0 HZ1 LYS A 19 -17.303 -10.921 4.201 1.00 33.34 H new ATOM 0 HZ2 LYS A 19 -16.272 -10.277 3.015 1.00 33.34 H new ATOM 0 HZ3 LYS A 19 -15.833 -11.692 3.845 1.00 33.34 H new ATOM 282 N PHE A 20 -10.117 -5.358 4.462 1.00 64.15 N ATOM 283 CA PHE A 20 -8.724 -5.031 4.173 1.00 55.11 C ATOM 284 C PHE A 20 -7.966 -4.761 5.472 1.00 41.15 C ATOM 285 O PHE A 20 -6.943 -5.407 5.713 1.00 42.41 O ATOM 286 CB PHE A 20 -8.617 -3.887 3.165 1.00 75.51 C ATOM 287 CG PHE A 20 -7.203 -3.433 2.904 1.00 60.15 C ATOM 288 CD1 PHE A 20 -6.339 -4.199 2.101 1.00 0.30 C ATOM 289 CD2 PHE A 20 -6.763 -2.207 3.432 1.00 1.34 C ATOM 290 CE1 PHE A 20 -5.038 -3.738 1.842 1.00 21.23 C ATOM 291 CE2 PHE A 20 -5.467 -1.747 3.158 1.00 60.11 C ATOM 292 CZ PHE A 20 -4.601 -2.517 2.371 1.00 44.42 C ATOM 0 H PHE A 20 -10.795 -4.754 3.998 1.00 64.15 H new ATOM 0 HA PHE A 20 -8.249 -5.889 3.697 1.00 55.11 H new ATOM 0 HB2 PHE A 20 -9.067 -4.202 2.223 1.00 75.51 H new ATOM 0 HB3 PHE A 20 -9.199 -3.040 3.528 1.00 75.51 H new ATOM 0 HD1 PHE A 20 -6.675 -5.138 1.685 1.00 0.30 H new ATOM 0 HD2 PHE A 20 -7.424 -1.618 4.050 1.00 1.34 H new ATOM 0 HE1 PHE A 20 -4.371 -4.328 1.231 1.00 21.23 H new ATOM 0 HE2 PHE A 20 -5.136 -0.798 3.554 1.00 60.11 H new ATOM 0 HZ PHE A 20 -3.598 -2.170 2.172 1.00 44.42 H new ATOM 302 N THR A 21 -8.473 -3.871 6.328 1.00 32.24 N ATOM 303 CA THR A 21 -7.758 -3.519 7.554 1.00 75.41 C ATOM 304 C THR A 21 -7.768 -4.645 8.590 1.00 45.02 C ATOM 305 O THR A 21 -6.910 -4.665 9.465 1.00 64.25 O ATOM 306 CB THR A 21 -8.347 -2.234 8.151 1.00 64.15 C ATOM 307 OG1 THR A 21 -9.766 -2.247 8.141 1.00 62.25 O ATOM 308 CG2 THR A 21 -7.882 -1.028 7.333 1.00 0.11 C ATOM 0 H THR A 21 -9.362 -3.388 6.197 1.00 32.24 H new ATOM 0 HA THR A 21 -6.715 -3.354 7.284 1.00 75.41 H new ATOM 0 HB THR A 21 -8.001 -2.170 9.183 1.00 64.15 H new ATOM 0 HG1 THR A 21 -10.104 -1.413 8.530 1.00 62.25 H new ATOM 0 HG21 THR A 21 -8.301 -0.116 7.758 1.00 0.11 H new ATOM 0 HG22 THR A 21 -6.794 -0.971 7.355 1.00 0.11 H new ATOM 0 HG23 THR A 21 -8.219 -1.136 6.302 1.00 0.11 H new ATOM 316 N SER A 22 -8.731 -5.568 8.510 1.00 12.43 N ATOM 317 CA SER A 22 -9.046 -6.481 9.605 1.00 52.22 C ATOM 318 C SER A 22 -8.998 -7.955 9.186 1.00 74.42 C ATOM 319 O SER A 22 -9.608 -8.788 9.857 1.00 50.01 O ATOM 320 CB SER A 22 -10.413 -6.100 10.185 1.00 5.32 C ATOM 321 OG SER A 22 -10.466 -4.737 10.596 1.00 63.32 O ATOM 0 H SER A 22 -9.313 -5.701 7.683 1.00 12.43 H new ATOM 0 HA SER A 22 -8.279 -6.377 10.372 1.00 52.22 H new ATOM 0 HB2 SER A 22 -11.185 -6.282 9.438 1.00 5.32 H new ATOM 0 HB3 SER A 22 -10.636 -6.743 11.037 1.00 5.32 H new ATOM 0 HG SER A 22 -11.355 -4.539 10.957 1.00 63.32 H new ATOM 327 N SER A 23 -8.354 -8.301 8.066 1.00 33.12 N ATOM 328 CA SER A 23 -8.040 -9.687 7.767 1.00 74.45 C ATOM 329 C SER A 23 -6.796 -9.761 6.894 1.00 33.32 C ATOM 330 O SER A 23 -6.826 -9.410 5.706 1.00 5.41 O ATOM 331 CB SER A 23 -9.219 -10.433 7.133 1.00 50.31 C ATOM 332 OG SER A 23 -8.909 -11.811 7.072 1.00 64.21 O ATOM 0 H SER A 23 -8.044 -7.636 7.358 1.00 33.12 H new ATOM 0 HA SER A 23 -7.837 -10.193 8.711 1.00 74.45 H new ATOM 0 HB2 SER A 23 -10.124 -10.276 7.720 1.00 50.31 H new ATOM 0 HB3 SER A 23 -9.416 -10.046 6.133 1.00 50.31 H new ATOM 0 HG SER A 23 -9.710 -12.316 6.820 1.00 64.21 H new ATOM 338 N ALA A 24 -5.716 -10.261 7.494 1.00 10.32 N ATOM 339 CA ALA A 24 -4.468 -10.583 6.833 1.00 31.30 C ATOM 340 C ALA A 24 -4.744 -11.530 5.676 1.00 62.23 C ATOM 341 O ALA A 24 -4.421 -11.219 4.530 1.00 24.21 O ATOM 342 CB ALA A 24 -3.493 -11.229 7.826 1.00 24.22 C ATOM 0 H ALA A 24 -5.694 -10.458 8.495 1.00 10.32 H new ATOM 0 HA ALA A 24 -4.014 -9.668 6.452 1.00 31.30 H new ATOM 0 HB1 ALA A 24 -2.559 -11.466 7.317 1.00 24.22 H new ATOM 0 HB2 ALA A 24 -3.295 -10.536 8.644 1.00 24.22 H new ATOM 0 HB3 ALA A 24 -3.932 -12.144 8.224 1.00 24.22 H new ATOM 348 N ALA A 25 -5.363 -12.679 5.964 1.00 64.41 N ATOM 349 CA ALA A 25 -5.546 -13.752 4.994 1.00 14.43 C ATOM 350 C ALA A 25 -6.322 -13.298 3.756 1.00 63.25 C ATOM 351 O ALA A 25 -6.151 -13.878 2.679 1.00 33.43 O ATOM 352 CB ALA A 25 -6.286 -14.908 5.662 1.00 31.24 C ATOM 0 H ALA A 25 -5.752 -12.888 6.884 1.00 64.41 H new ATOM 0 HA ALA A 25 -4.558 -14.066 4.659 1.00 14.43 H new ATOM 0 HB1 ALA A 25 -6.427 -15.714 4.942 1.00 31.24 H new ATOM 0 HB2 ALA A 25 -5.703 -15.273 6.507 1.00 31.24 H new ATOM 0 HB3 ALA A 25 -7.258 -14.563 6.014 1.00 31.24 H new ATOM 358 N PHE A 26 -7.169 -12.275 3.897 1.00 74.45 N ATOM 359 CA PHE A 26 -7.963 -11.749 2.807 1.00 53.22 C ATOM 360 C PHE A 26 -7.199 -10.695 1.997 1.00 51.03 C ATOM 361 O PHE A 26 -7.506 -10.557 0.813 1.00 34.20 O ATOM 362 CB PHE A 26 -9.293 -11.203 3.314 1.00 71.43 C ATOM 363 CG PHE A 26 -10.434 -12.197 3.399 1.00 44.14 C ATOM 364 CD1 PHE A 26 -10.444 -13.194 4.391 1.00 14.03 C ATOM 365 CD2 PHE A 26 -11.511 -12.100 2.496 1.00 74.12 C ATOM 366 CE1 PHE A 26 -11.526 -14.086 4.481 1.00 70.32 C ATOM 367 CE2 PHE A 26 -12.597 -12.984 2.591 1.00 22.10 C ATOM 368 CZ PHE A 26 -12.604 -13.976 3.584 1.00 52.04 C ATOM 0 H PHE A 26 -7.317 -11.791 4.783 1.00 74.45 H new ATOM 0 HA PHE A 26 -8.175 -12.577 2.131 1.00 53.22 H new ATOM 0 HB2 PHE A 26 -9.134 -10.778 4.305 1.00 71.43 H new ATOM 0 HB3 PHE A 26 -9.599 -10.385 2.662 1.00 71.43 H new ATOM 0 HD1 PHE A 26 -9.620 -13.274 5.084 1.00 14.03 H new ATOM 0 HD2 PHE A 26 -11.501 -11.342 1.727 1.00 74.12 H new ATOM 0 HE1 PHE A 26 -11.530 -14.856 5.239 1.00 70.32 H new ATOM 0 HE2 PHE A 26 -13.425 -12.901 1.902 1.00 22.10 H new ATOM 0 HZ PHE A 26 -13.439 -14.657 3.660 1.00 52.04 H new ATOM 378 N GLN A 27 -6.200 -9.979 2.547 1.00 31.40 N ATOM 379 CA GLN A 27 -5.448 -8.978 1.777 1.00 30.34 C ATOM 380 C GLN A 27 -4.876 -9.606 0.499 1.00 32.10 C ATOM 381 O GLN A 27 -5.049 -9.072 -0.598 1.00 22.10 O ATOM 382 CB GLN A 27 -4.334 -8.328 2.623 1.00 72.54 C ATOM 383 CG GLN A 27 -4.874 -7.300 3.628 1.00 73.32 C ATOM 384 CD GLN A 27 -3.774 -6.616 4.441 1.00 54.14 C ATOM 385 OE1 GLN A 27 -2.608 -6.609 4.059 1.00 30.11 O ATOM 386 NE2 GLN A 27 -4.134 -6.039 5.571 1.00 63.54 N ATOM 0 H GLN A 27 -5.898 -10.076 3.517 1.00 31.40 H new ATOM 0 HA GLN A 27 -6.140 -8.185 1.493 1.00 30.34 H new ATOM 0 HB2 GLN A 27 -3.792 -9.106 3.161 1.00 72.54 H new ATOM 0 HB3 GLN A 27 -3.618 -7.841 1.961 1.00 72.54 H new ATOM 0 HG2 GLN A 27 -5.445 -6.542 3.091 1.00 73.32 H new ATOM 0 HG3 GLN A 27 -5.565 -7.796 4.309 1.00 73.32 H new ATOM 0 HE21 GLN A 27 -5.110 -6.059 5.866 1.00 63.54 H new ATOM 0 HE22 GLN A 27 -3.436 -5.572 6.150 1.00 63.54 H new ATOM 395 N TYR A 28 -4.300 -10.801 0.617 1.00 62.55 N ATOM 396 CA TYR A 28 -3.762 -11.612 -0.476 1.00 22.13 C ATOM 397 C TYR A 28 -4.772 -11.909 -1.604 1.00 32.11 C ATOM 398 O TYR A 28 -4.355 -12.322 -2.683 1.00 45.43 O ATOM 399 CB TYR A 28 -3.205 -12.895 0.142 1.00 54.12 C ATOM 400 CG TYR A 28 -2.119 -12.628 1.169 1.00 2.41 C ATOM 401 CD1 TYR A 28 -0.813 -12.309 0.745 1.00 72.43 C ATOM 402 CD2 TYR A 28 -2.421 -12.659 2.544 1.00 3.40 C ATOM 403 CE1 TYR A 28 0.188 -12.007 1.685 1.00 1.00 C ATOM 404 CE2 TYR A 28 -1.424 -12.357 3.489 1.00 52.42 C ATOM 405 CZ TYR A 28 -0.118 -12.020 3.066 1.00 14.32 C ATOM 406 OH TYR A 28 0.832 -11.715 3.993 1.00 54.41 O ATOM 0 H TYR A 28 -4.190 -11.254 1.524 1.00 62.55 H new ATOM 0 HA TYR A 28 -2.978 -11.043 -0.976 1.00 22.13 H new ATOM 0 HB2 TYR A 28 -4.017 -13.448 0.614 1.00 54.12 H new ATOM 0 HB3 TYR A 28 -2.804 -13.530 -0.648 1.00 54.12 H new ATOM 0 HD1 TYR A 28 -0.580 -12.296 -0.309 1.00 72.43 H new ATOM 0 HD2 TYR A 28 -3.418 -12.914 2.873 1.00 3.40 H new ATOM 0 HE1 TYR A 28 1.187 -11.766 1.354 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -1.657 -12.383 4.543 1.00 52.42 H new ATOM 0 HH TYR A 28 0.444 -11.774 4.891 1.00 54.41 H new ATOM 416 N THR A 29 -6.079 -11.696 -1.413 1.00 2.23 N ATOM 417 CA THR A 29 -7.105 -12.046 -2.399 1.00 23.10 C ATOM 418 C THR A 29 -7.539 -10.864 -3.283 1.00 24.43 C ATOM 419 O THR A 29 -8.458 -11.031 -4.091 1.00 14.30 O ATOM 420 CB THR A 29 -8.302 -12.744 -1.714 1.00 1.41 C ATOM 421 OG1 THR A 29 -9.033 -11.863 -0.877 1.00 51.33 O ATOM 422 CG2 THR A 29 -7.885 -13.962 -0.879 1.00 12.31 C ATOM 0 H THR A 29 -6.456 -11.273 -0.565 1.00 2.23 H new ATOM 0 HA THR A 29 -6.650 -12.755 -3.090 1.00 23.10 H new ATOM 0 HB THR A 29 -8.934 -13.076 -2.537 1.00 1.41 H new ATOM 0 HG1 THR A 29 -8.422 -11.428 -0.247 1.00 51.33 H new ATOM 0 HG21 THR A 29 -8.768 -14.410 -0.423 1.00 12.31 H new ATOM 0 HG22 THR A 29 -7.398 -14.695 -1.522 1.00 12.31 H new ATOM 0 HG23 THR A 29 -7.193 -13.648 -0.098 1.00 12.31 H new ATOM 430 N ARG A 30 -6.930 -9.674 -3.143 1.00 30.50 N ATOM 431 CA ARG A 30 -7.394 -8.456 -3.817 1.00 23.23 C ATOM 432 C ARG A 30 -6.247 -7.543 -4.273 1.00 64.35 C ATOM 433 O ARG A 30 -6.285 -6.343 -4.010 1.00 3.22 O ATOM 434 CB ARG A 30 -8.412 -7.741 -2.902 1.00 62.43 C ATOM 435 CG ARG A 30 -7.862 -7.330 -1.525 1.00 53.42 C ATOM 436 CD ARG A 30 -8.796 -6.365 -0.773 1.00 41.24 C ATOM 437 NE ARG A 30 -9.337 -6.955 0.464 1.00 30.32 N ATOM 438 CZ ARG A 30 -10.396 -7.770 0.561 1.00 43.15 C ATOM 439 NH1 ARG A 30 -11.159 -8.054 -0.483 1.00 70.22 N ATOM 440 NH2 ARG A 30 -10.685 -8.339 1.720 1.00 31.44 N ATOM 0 H ARG A 30 -6.105 -9.533 -2.560 1.00 30.50 H new ATOM 0 HA ARG A 30 -7.891 -8.736 -4.746 1.00 23.23 H new ATOM 0 HB2 ARG A 30 -8.776 -6.850 -3.413 1.00 62.43 H new ATOM 0 HB3 ARG A 30 -9.270 -8.397 -2.754 1.00 62.43 H new ATOM 0 HG2 ARG A 30 -7.706 -8.223 -0.920 1.00 53.42 H new ATOM 0 HG3 ARG A 30 -6.888 -6.859 -1.654 1.00 53.42 H new ATOM 0 HD2 ARG A 30 -8.251 -5.453 -0.529 1.00 41.24 H new ATOM 0 HD3 ARG A 30 -9.620 -6.079 -1.426 1.00 41.24 H new ATOM 0 HE ARG A 30 -8.858 -6.720 1.333 1.00 30.32 H new ATOM 0 HH11 ARG A 30 -10.947 -7.648 -1.395 1.00 70.22 H new ATOM 0 HH12 ARG A 30 -11.958 -8.678 -0.376 1.00 70.22 H new ATOM 0 HH21 ARG A 30 -10.102 -8.157 2.537 1.00 31.44 H new ATOM 0 HH22 ARG A 30 -11.491 -8.960 1.797 1.00 31.44 H new ATOM 454 N VAL A 31 -5.199 -8.065 -4.918 1.00 54.12 N ATOM 455 CA VAL A 31 -4.025 -7.253 -5.282 1.00 73.33 C ATOM 456 C VAL A 31 -3.570 -7.598 -6.699 1.00 61.54 C ATOM 457 O VAL A 31 -3.577 -8.773 -7.073 1.00 64.33 O ATOM 458 CB VAL A 31 -2.900 -7.453 -4.243 1.00 31.41 C ATOM 459 CG1 VAL A 31 -1.696 -6.543 -4.484 1.00 33.31 C ATOM 460 CG2 VAL A 31 -3.366 -7.247 -2.795 1.00 2.40 C ATOM 0 H VAL A 31 -5.136 -9.043 -5.200 1.00 54.12 H new ATOM 0 HA VAL A 31 -4.292 -6.196 -5.273 1.00 73.33 H new ATOM 0 HB VAL A 31 -2.604 -8.493 -4.380 1.00 31.41 H new ATOM 0 HG11 VAL A 31 -0.940 -6.731 -3.722 1.00 33.31 H new ATOM 0 HG12 VAL A 31 -1.277 -6.748 -5.469 1.00 33.31 H new ATOM 0 HG13 VAL A 31 -2.012 -5.501 -4.433 1.00 33.31 H new ATOM 0 HG21 VAL A 31 -2.527 -7.403 -2.117 1.00 2.40 H new ATOM 0 HG22 VAL A 31 -3.745 -6.232 -2.676 1.00 2.40 H new ATOM 0 HG23 VAL A 31 -4.157 -7.960 -2.562 1.00 2.40 H new ATOM 470 N LYS A 32 -3.182 -6.594 -7.493 1.00 1.42 N ATOM 471 CA LYS A 32 -2.495 -6.809 -8.771 1.00 75.33 C ATOM 472 C LYS A 32 -0.998 -6.852 -8.502 1.00 20.14 C ATOM 473 O LYS A 32 -0.518 -6.221 -7.570 1.00 73.52 O ATOM 474 CB LYS A 32 -2.784 -5.680 -9.774 1.00 24.13 C ATOM 475 CG LYS A 32 -4.257 -5.604 -10.182 1.00 53.14 C ATOM 476 CD LYS A 32 -4.813 -6.807 -10.958 1.00 12.32 C ATOM 477 CE LYS A 32 -5.666 -6.461 -12.188 1.00 43.42 C ATOM 478 NZ LYS A 32 -4.891 -5.817 -13.274 1.00 15.02 N ATOM 0 H LYS A 32 -3.335 -5.611 -7.268 1.00 1.42 H new ATOM 0 HA LYS A 32 -2.854 -7.743 -9.204 1.00 75.33 H new ATOM 0 HB2 LYS A 32 -2.484 -4.728 -9.337 1.00 24.13 H new ATOM 0 HB3 LYS A 32 -2.173 -5.828 -10.665 1.00 24.13 H new ATOM 0 HG2 LYS A 32 -4.855 -5.473 -9.280 1.00 53.14 H new ATOM 0 HG3 LYS A 32 -4.397 -4.710 -10.790 1.00 53.14 H new ATOM 0 HD2 LYS A 32 -3.977 -7.428 -11.280 1.00 12.32 H new ATOM 0 HD3 LYS A 32 -5.415 -7.410 -10.278 1.00 12.32 H new ATOM 0 HE2 LYS A 32 -6.127 -7.372 -12.570 1.00 43.42 H new ATOM 0 HE3 LYS A 32 -6.476 -5.797 -11.885 1.00 43.42 H new ATOM 0 HZ1 LYS A 32 -5.511 -5.176 -13.809 1.00 15.02 H new ATOM 0 HZ2 LYS A 32 -4.103 -5.275 -12.864 1.00 15.02 H new ATOM 0 HZ3 LYS A 32 -4.514 -6.547 -13.912 1.00 15.02 H new ATOM 492 N PHE A 33 -0.245 -7.525 -9.356 1.00 53.24 N ATOM 493 CA PHE A 33 1.225 -7.520 -9.334 1.00 2.04 C ATOM 494 C PHE A 33 1.717 -7.576 -10.774 1.00 52.03 C ATOM 495 O PHE A 33 1.117 -8.334 -11.544 1.00 2.01 O ATOM 496 CB PHE A 33 1.800 -8.701 -8.541 1.00 31.44 C ATOM 497 CG PHE A 33 1.521 -8.644 -7.055 1.00 54.42 C ATOM 498 CD1 PHE A 33 2.255 -7.779 -6.221 1.00 61.21 C ATOM 499 CD2 PHE A 33 0.481 -9.418 -6.515 1.00 5.42 C ATOM 500 CE1 PHE A 33 1.976 -7.723 -4.844 1.00 43.13 C ATOM 501 CE2 PHE A 33 0.198 -9.353 -5.142 1.00 52.14 C ATOM 502 CZ PHE A 33 0.962 -8.528 -4.299 1.00 23.52 C ATOM 0 H PHE A 33 -0.636 -8.103 -10.100 1.00 53.24 H new ATOM 0 HA PHE A 33 1.564 -6.611 -8.836 1.00 2.04 H new ATOM 0 HB2 PHE A 33 1.389 -9.628 -8.941 1.00 31.44 H new ATOM 0 HB3 PHE A 33 2.878 -8.738 -8.696 1.00 31.44 H new ATOM 0 HD1 PHE A 33 3.033 -7.158 -6.639 1.00 61.21 H new ATOM 0 HD2 PHE A 33 -0.101 -10.063 -7.156 1.00 5.42 H new ATOM 0 HE1 PHE A 33 2.542 -7.061 -4.205 1.00 43.13 H new ATOM 0 HE2 PHE A 33 -0.611 -9.940 -4.731 1.00 52.14 H new ATOM 0 HZ PHE A 33 0.770 -8.513 -3.236 1.00 23.52 H new ATOM 512 N PRO A 34 2.779 -6.857 -11.179 1.00 62.51 N ATOM 513 CA PRO A 34 3.844 -6.231 -10.380 1.00 4.04 C ATOM 514 C PRO A 34 3.492 -4.938 -9.635 1.00 64.21 C ATOM 515 O PRO A 34 4.368 -4.396 -8.972 1.00 71.35 O ATOM 516 CB PRO A 34 4.984 -5.992 -11.366 1.00 3.01 C ATOM 517 CG PRO A 34 4.259 -5.723 -12.672 1.00 64.22 C ATOM 518 CD PRO A 34 3.153 -6.772 -12.590 1.00 11.14 C ATOM 0 HA PRO A 34 4.086 -6.903 -9.557 1.00 4.04 H new ATOM 0 HB2 PRO A 34 5.604 -5.147 -11.068 1.00 3.01 H new ATOM 0 HB3 PRO A 34 5.641 -6.859 -11.441 1.00 3.01 H new ATOM 0 HG2 PRO A 34 3.866 -4.708 -12.728 1.00 64.22 H new ATOM 0 HG3 PRO A 34 4.902 -5.864 -13.541 1.00 64.22 H new ATOM 0 HD2 PRO A 34 2.298 -6.486 -13.203 1.00 11.14 H new ATOM 0 HD3 PRO A 34 3.502 -7.736 -12.959 1.00 11.14 H new ATOM 526 N LEU A 35 2.269 -4.432 -9.809 1.00 20.33 N ATOM 527 CA LEU A 35 1.733 -3.120 -9.424 1.00 4.20 C ATOM 528 C LEU A 35 2.252 -2.044 -10.379 1.00 72.11 C ATOM 529 O LEU A 35 3.059 -2.316 -11.276 1.00 13.44 O ATOM 530 CB LEU A 35 2.094 -2.728 -7.981 1.00 11.24 C ATOM 531 CG LEU A 35 1.712 -3.751 -6.902 1.00 52.04 C ATOM 532 CD1 LEU A 35 2.737 -3.597 -5.811 1.00 64.42 C ATOM 533 CD2 LEU A 35 0.310 -3.582 -6.324 1.00 53.15 C ATOM 0 H LEU A 35 1.552 -4.990 -10.273 1.00 20.33 H new ATOM 0 HA LEU A 35 0.647 -3.195 -9.484 1.00 4.20 H new ATOM 0 HB2 LEU A 35 3.169 -2.555 -7.928 1.00 11.24 H new ATOM 0 HB3 LEU A 35 1.607 -1.781 -7.748 1.00 11.24 H new ATOM 0 HG LEU A 35 1.699 -4.743 -7.354 1.00 52.04 H new ATOM 0 HD11 LEU A 35 2.521 -4.301 -5.007 1.00 64.42 H new ATOM 0 HD12 LEU A 35 3.730 -3.799 -6.213 1.00 64.42 H new ATOM 0 HD13 LEU A 35 2.703 -2.580 -5.421 1.00 64.42 H new ATOM 0 HD21 LEU A 35 0.132 -4.349 -5.571 1.00 53.15 H new ATOM 0 HD22 LEU A 35 0.221 -2.597 -5.866 1.00 53.15 H new ATOM 0 HD23 LEU A 35 -0.427 -3.679 -7.122 1.00 53.15 H new ATOM 545 N LYS A 36 1.804 -0.804 -10.161 1.00 61.41 N ATOM 546 CA LYS A 36 2.371 0.350 -10.875 1.00 12.10 C ATOM 547 C LYS A 36 3.790 0.580 -10.379 1.00 21.13 C ATOM 548 O LYS A 36 4.673 0.939 -11.152 1.00 31.44 O ATOM 549 CB LYS A 36 1.589 1.649 -10.621 1.00 62.14 C ATOM 550 CG LYS A 36 0.068 1.548 -10.697 1.00 33.53 C ATOM 551 CD LYS A 36 -0.486 1.151 -12.071 1.00 41.35 C ATOM 552 CE LYS A 36 -2.014 1.123 -11.977 1.00 35.31 C ATOM 553 NZ LYS A 36 -2.670 0.759 -13.249 1.00 42.34 N ATOM 0 H LYS A 36 1.059 -0.572 -9.504 1.00 61.41 H new ATOM 0 HA LYS A 36 2.329 0.119 -11.939 1.00 12.10 H new ATOM 0 HB2 LYS A 36 1.858 2.023 -9.633 1.00 62.14 H new ATOM 0 HB3 LYS A 36 1.919 2.394 -11.345 1.00 62.14 H new ATOM 0 HG2 LYS A 36 -0.270 0.819 -9.961 1.00 33.53 H new ATOM 0 HG3 LYS A 36 -0.360 2.509 -10.413 1.00 33.53 H new ATOM 0 HD2 LYS A 36 -0.164 1.863 -12.831 1.00 41.35 H new ATOM 0 HD3 LYS A 36 -0.105 0.174 -12.367 1.00 41.35 H new ATOM 0 HE2 LYS A 36 -2.311 0.412 -11.206 1.00 35.31 H new ATOM 0 HE3 LYS A 36 -2.370 2.103 -11.660 1.00 35.31 H new ATOM 0 HZ1 LYS A 36 -3.700 0.725 -13.111 1.00 42.34 H new ATOM 0 HZ2 LYS A 36 -2.441 1.469 -13.973 1.00 42.34 H new ATOM 0 HZ3 LYS A 36 -2.331 -0.174 -13.560 1.00 42.34 H new ATOM 567 N THR A 37 3.962 0.378 -9.085 1.00 63.22 N ATOM 568 CA THR A 37 5.147 0.615 -8.285 1.00 55.44 C ATOM 569 C THR A 37 5.958 -0.683 -8.130 1.00 52.45 C ATOM 570 O THR A 37 5.720 -1.436 -7.183 1.00 11.32 O ATOM 571 CB THR A 37 4.671 1.202 -6.943 1.00 42.35 C ATOM 572 OG1 THR A 37 3.449 0.596 -6.532 1.00 33.52 O ATOM 573 CG2 THR A 37 4.418 2.706 -7.094 1.00 72.33 C ATOM 0 H THR A 37 3.201 0.008 -8.515 1.00 63.22 H new ATOM 0 HA THR A 37 5.825 1.324 -8.760 1.00 55.44 H new ATOM 0 HB THR A 37 5.447 1.012 -6.202 1.00 42.35 H new ATOM 0 HG1 THR A 37 3.094 1.072 -5.753 1.00 33.52 H new ATOM 0 HG21 THR A 37 4.082 3.116 -6.142 1.00 72.33 H new ATOM 0 HG22 THR A 37 5.340 3.202 -7.397 1.00 72.33 H new ATOM 0 HG23 THR A 37 3.652 2.872 -7.851 1.00 72.33 H new ATOM 581 N PRO A 38 6.863 -1.047 -9.062 1.00 75.25 N ATOM 582 CA PRO A 38 7.808 -2.120 -8.793 1.00 51.15 C ATOM 583 C PRO A 38 8.790 -1.660 -7.706 1.00 72.32 C ATOM 584 O PRO A 38 8.881 -0.473 -7.384 1.00 14.40 O ATOM 585 CB PRO A 38 8.520 -2.374 -10.124 1.00 35.24 C ATOM 586 CG PRO A 38 8.581 -0.974 -10.725 1.00 74.22 C ATOM 587 CD PRO A 38 7.262 -0.345 -10.275 1.00 12.44 C ATOM 0 HA PRO A 38 7.332 -3.031 -8.431 1.00 51.15 H new ATOM 0 HB2 PRO A 38 9.513 -2.800 -9.980 1.00 35.24 H new ATOM 0 HB3 PRO A 38 7.965 -3.066 -10.758 1.00 35.24 H new ATOM 0 HG2 PRO A 38 9.441 -0.414 -10.357 1.00 74.22 H new ATOM 0 HG3 PRO A 38 8.663 -1.005 -11.811 1.00 74.22 H new ATOM 0 HD2 PRO A 38 7.386 0.721 -10.084 1.00 12.44 H new ATOM 0 HD3 PRO A 38 6.501 -0.444 -11.049 1.00 12.44 H new ATOM 595 N ILE A 39 9.571 -2.600 -7.175 1.00 15.03 N ATOM 596 CA ILE A 39 10.777 -2.253 -6.434 1.00 55.55 C ATOM 597 C ILE A 39 11.824 -1.926 -7.493 1.00 62.41 C ATOM 598 O ILE A 39 11.962 -2.702 -8.448 1.00 15.31 O ATOM 599 CB ILE A 39 11.263 -3.423 -5.556 1.00 74.02 C ATOM 600 CG1 ILE A 39 10.116 -4.128 -4.805 1.00 20.24 C ATOM 601 CG2 ILE A 39 12.344 -2.959 -4.567 1.00 12.31 C ATOM 602 CD1 ILE A 39 9.763 -5.460 -5.481 1.00 62.34 C ATOM 0 H ILE A 39 9.390 -3.601 -7.245 1.00 15.03 H new ATOM 0 HA ILE A 39 10.591 -1.418 -5.758 1.00 55.55 H new ATOM 0 HB ILE A 39 11.695 -4.156 -6.237 1.00 74.02 H new ATOM 0 HG12 ILE A 39 10.408 -4.306 -3.770 1.00 20.24 H new ATOM 0 HG13 ILE A 39 9.238 -3.482 -4.782 1.00 20.24 H new ATOM 0 HG21 ILE A 39 12.669 -3.804 -3.960 1.00 12.31 H new ATOM 0 HG22 ILE A 39 13.195 -2.560 -5.119 1.00 12.31 H new ATOM 0 HG23 ILE A 39 11.936 -2.183 -3.919 1.00 12.31 H new ATOM 0 HD11 ILE A 39 8.951 -5.941 -4.935 1.00 62.34 H new ATOM 0 HD12 ILE A 39 9.450 -5.275 -6.508 1.00 62.34 H new ATOM 0 HD13 ILE A 39 10.637 -6.111 -5.480 1.00 62.34 H new ATOM 614 N THR A 40 12.591 -0.865 -7.281 1.00 23.43 N ATOM 615 CA THR A 40 13.631 -0.354 -8.154 1.00 35.22 C ATOM 616 C THR A 40 14.840 -0.064 -7.263 1.00 60.34 C ATOM 617 O THR A 40 14.814 0.853 -6.440 1.00 51.43 O ATOM 618 CB THR A 40 13.107 0.889 -8.894 1.00 24.33 C ATOM 619 OG1 THR A 40 11.842 0.620 -9.462 1.00 35.23 O ATOM 620 CG2 THR A 40 14.058 1.308 -10.019 1.00 14.33 C ATOM 0 H THR A 40 12.494 -0.303 -6.436 1.00 23.43 H new ATOM 0 HA THR A 40 13.925 -1.064 -8.927 1.00 35.22 H new ATOM 0 HB THR A 40 13.034 1.695 -8.164 1.00 24.33 H new ATOM 0 HG1 THR A 40 11.517 1.418 -9.929 1.00 35.23 H new ATOM 0 HG21 THR A 40 13.660 2.189 -10.523 1.00 14.33 H new ATOM 0 HG22 THR A 40 15.037 1.541 -9.600 1.00 14.33 H new ATOM 0 HG23 THR A 40 14.155 0.493 -10.736 1.00 14.33 H new ATOM 628 N LEU A 41 15.876 -0.900 -7.356 1.00 44.31 N ATOM 629 CA LEU A 41 17.090 -0.772 -6.556 1.00 41.43 C ATOM 630 C LEU A 41 18.177 -0.256 -7.494 1.00 60.21 C ATOM 631 O LEU A 41 18.352 -0.800 -8.587 1.00 63.45 O ATOM 632 CB LEU A 41 17.499 -2.118 -5.926 1.00 52.52 C ATOM 633 CG LEU A 41 16.384 -2.824 -5.130 1.00 20.41 C ATOM 634 CD1 LEU A 41 16.879 -4.110 -4.459 1.00 74.03 C ATOM 635 CD2 LEU A 41 15.786 -1.966 -4.019 1.00 21.01 C ATOM 0 H LEU A 41 15.893 -1.693 -7.997 1.00 44.31 H new ATOM 0 HA LEU A 41 16.929 -0.086 -5.725 1.00 41.43 H new ATOM 0 HB2 LEU A 41 17.839 -2.785 -6.718 1.00 52.52 H new ATOM 0 HB3 LEU A 41 18.348 -1.950 -5.264 1.00 52.52 H new ATOM 0 HG LEU A 41 15.625 -3.034 -5.883 1.00 20.41 H new ATOM 0 HD11 LEU A 41 16.059 -4.573 -3.910 1.00 74.03 H new ATOM 0 HD12 LEU A 41 17.242 -4.801 -5.220 1.00 74.03 H new ATOM 0 HD13 LEU A 41 17.689 -3.872 -3.769 1.00 74.03 H new ATOM 0 HD21 LEU A 41 15.008 -2.529 -3.503 1.00 21.01 H new ATOM 0 HD22 LEU A 41 16.567 -1.693 -3.310 1.00 21.01 H new ATOM 0 HD23 LEU A 41 15.355 -1.062 -4.449 1.00 21.01 H new ATOM 647 N LEU A 42 18.896 0.779 -7.069 1.00 61.42 N ATOM 648 CA LEU A 42 20.154 1.198 -7.647 1.00 22.10 C ATOM 649 C LEU A 42 21.138 0.047 -7.499 1.00 64.23 C ATOM 650 O LEU A 42 21.415 -0.409 -6.387 1.00 24.24 O ATOM 651 CB LEU A 42 20.665 2.444 -6.914 1.00 13.51 C ATOM 652 CG LEU A 42 21.830 3.162 -7.597 1.00 61.04 C ATOM 653 CD1 LEU A 42 21.377 3.708 -8.957 1.00 52.35 C ATOM 654 CD2 LEU A 42 22.282 4.303 -6.683 1.00 2.54 C ATOM 0 H LEU A 42 18.603 1.364 -6.286 1.00 61.42 H new ATOM 0 HA LEU A 42 20.035 1.450 -8.701 1.00 22.10 H new ATOM 0 HB2 LEU A 42 19.839 3.147 -6.804 1.00 13.51 H new ATOM 0 HB3 LEU A 42 20.974 2.155 -5.909 1.00 13.51 H new ATOM 0 HG LEU A 42 22.658 2.474 -7.768 1.00 61.04 H new ATOM 0 HD11 LEU A 42 22.210 4.219 -9.440 1.00 52.35 H new ATOM 0 HD12 LEU A 42 21.042 2.884 -9.587 1.00 52.35 H new ATOM 0 HD13 LEU A 42 20.556 4.410 -8.812 1.00 52.35 H new ATOM 0 HD21 LEU A 42 23.114 4.833 -7.147 1.00 2.54 H new ATOM 0 HD22 LEU A 42 21.454 4.994 -6.527 1.00 2.54 H new ATOM 0 HD23 LEU A 42 22.601 3.896 -5.724 1.00 2.54 H new ATOM 666 N ALA A 43 21.625 -0.426 -8.640 1.00 20.12 N ATOM 667 CA ALA A 43 22.539 -1.538 -8.791 1.00 1.23 C ATOM 668 C ALA A 43 23.911 -1.277 -8.164 1.00 2.31 C ATOM 669 O ALA A 43 24.163 -0.237 -7.551 1.00 32.03 O ATOM 670 CB ALA A 43 22.667 -1.849 -10.288 1.00 14.23 C ATOM 0 H ALA A 43 21.372 -0.013 -9.538 1.00 20.12 H new ATOM 0 HA ALA A 43 22.134 -2.395 -8.253 1.00 1.23 H new ATOM 0 HB1 ALA A 43 23.352 -2.685 -10.429 1.00 14.23 H new ATOM 0 HB2 ALA A 43 21.688 -2.110 -10.690 1.00 14.23 H new ATOM 0 HB3 ALA A 43 23.052 -0.973 -10.810 1.00 14.23 H new ATOM 676 N ASP A 44 24.821 -2.219 -8.395 1.00 71.22 N ATOM 677 CA ASP A 44 26.253 -2.101 -8.124 1.00 21.24 C ATOM 678 C ASP A 44 26.912 -0.987 -8.946 1.00 44.32 C ATOM 679 O ASP A 44 27.969 -0.507 -8.545 1.00 11.51 O ATOM 680 CB ASP A 44 26.972 -3.446 -8.363 1.00 11.53 C ATOM 681 CG ASP A 44 26.795 -4.012 -9.773 1.00 64.14 C ATOM 682 OD1 ASP A 44 25.633 -4.338 -10.112 1.00 23.00 O ATOM 683 OD2 ASP A 44 27.802 -4.237 -10.489 1.00 14.22 O ATOM 0 H ASP A 44 24.571 -3.124 -8.793 1.00 71.22 H new ATOM 0 HA ASP A 44 26.354 -1.831 -7.073 1.00 21.24 H new ATOM 0 HB2 ASP A 44 28.036 -3.316 -8.167 1.00 11.53 H new ATOM 0 HB3 ASP A 44 26.602 -4.175 -7.642 1.00 11.53 H new ATOM 688 N ASP A 45 26.288 -0.528 -10.034 1.00 41.31 N ATOM 689 CA ASP A 45 26.793 0.513 -10.943 1.00 73.14 C ATOM 690 C ASP A 45 26.726 1.928 -10.363 1.00 13.53 C ATOM 691 O ASP A 45 27.280 2.853 -10.949 1.00 60.25 O ATOM 692 CB ASP A 45 25.996 0.488 -12.251 1.00 1.22 C ATOM 693 CG ASP A 45 26.569 -0.357 -13.389 1.00 3.21 C ATOM 694 OD1 ASP A 45 27.636 -1.001 -13.260 1.00 22.31 O ATOM 695 OD2 ASP A 45 25.856 -0.434 -14.418 1.00 44.51 O ATOM 0 H ASP A 45 25.377 -0.885 -10.321 1.00 41.31 H new ATOM 0 HA ASP A 45 27.845 0.280 -11.109 1.00 73.14 H new ATOM 0 HB2 ASP A 45 24.992 0.126 -12.031 1.00 1.22 H new ATOM 0 HB3 ASP A 45 25.894 1.513 -12.607 1.00 1.22 H new ATOM 700 N GLY A 46 25.983 2.122 -9.271 1.00 63.42 N ATOM 701 CA GLY A 46 25.616 3.417 -8.711 1.00 21.12 C ATOM 702 C GLY A 46 24.867 4.369 -9.658 1.00 34.41 C ATOM 703 O GLY A 46 24.580 5.482 -9.230 1.00 71.01 O ATOM 0 H GLY A 46 25.606 1.343 -8.731 1.00 63.42 H new ATOM 0 HA2 GLY A 46 24.995 3.248 -7.831 1.00 21.12 H new ATOM 0 HA3 GLY A 46 26.524 3.914 -8.370 1.00 21.12 H new ATOM 707 N GLU A 47 24.469 3.957 -10.871 1.00 21.02 N ATOM 708 CA GLU A 47 23.562 4.709 -11.752 1.00 24.14 C ATOM 709 C GLU A 47 22.451 3.846 -12.370 1.00 55.11 C ATOM 710 O GLU A 47 21.420 4.377 -12.790 1.00 40.25 O ATOM 711 CB GLU A 47 24.356 5.395 -12.874 1.00 32.01 C ATOM 712 CG GLU A 47 25.144 6.601 -12.353 1.00 72.14 C ATOM 713 CD GLU A 47 25.773 7.441 -13.472 1.00 12.53 C ATOM 714 OE1 GLU A 47 25.073 7.794 -14.450 1.00 15.32 O ATOM 715 OE2 GLU A 47 26.967 7.794 -13.339 1.00 4.40 O ATOM 0 H GLU A 47 24.775 3.072 -11.276 1.00 21.02 H new ATOM 0 HA GLU A 47 23.076 5.451 -11.119 1.00 24.14 H new ATOM 0 HB2 GLU A 47 25.043 4.678 -13.325 1.00 32.01 H new ATOM 0 HB3 GLU A 47 23.672 5.718 -13.659 1.00 32.01 H new ATOM 0 HG2 GLU A 47 24.480 7.233 -11.762 1.00 72.14 H new ATOM 0 HG3 GLU A 47 25.930 6.252 -11.684 1.00 72.14 H new ATOM 722 N THR A 48 22.610 2.528 -12.426 1.00 0.21 N ATOM 723 CA THR A 48 21.689 1.605 -13.069 1.00 11.52 C ATOM 724 C THR A 48 20.522 1.293 -12.121 1.00 51.12 C ATOM 725 O THR A 48 20.675 0.590 -11.124 1.00 74.01 O ATOM 726 CB THR A 48 22.497 0.385 -13.543 1.00 53.24 C ATOM 727 OG1 THR A 48 23.536 0.867 -14.381 1.00 20.44 O ATOM 728 CG2 THR A 48 21.669 -0.583 -14.380 1.00 74.42 C ATOM 0 H THR A 48 23.414 2.059 -12.009 1.00 0.21 H new ATOM 0 HA THR A 48 21.219 2.031 -13.955 1.00 11.52 H new ATOM 0 HB THR A 48 22.854 -0.144 -12.659 1.00 53.24 H new ATOM 0 HG1 THR A 48 24.276 0.224 -14.387 1.00 20.44 H new ATOM 0 HG21 THR A 48 22.292 -1.424 -14.686 1.00 74.42 H new ATOM 0 HG22 THR A 48 20.830 -0.949 -13.789 1.00 74.42 H new ATOM 0 HG23 THR A 48 21.293 -0.069 -15.265 1.00 74.42 H new ATOM 736 N GLU A 49 19.346 1.844 -12.413 1.00 35.32 N ATOM 737 CA GLU A 49 18.079 1.439 -11.819 1.00 20.32 C ATOM 738 C GLU A 49 17.780 0.025 -12.341 1.00 53.25 C ATOM 739 O GLU A 49 17.780 -0.186 -13.560 1.00 51.31 O ATOM 740 CB GLU A 49 16.949 2.421 -12.211 1.00 22.02 C ATOM 741 CG GLU A 49 17.110 3.844 -11.630 1.00 63.23 C ATOM 742 CD GLU A 49 15.881 4.750 -11.843 1.00 14.50 C ATOM 743 OE1 GLU A 49 14.748 4.319 -11.533 1.00 0.43 O ATOM 744 OE2 GLU A 49 16.027 5.924 -12.267 1.00 54.24 O ATOM 0 H GLU A 49 19.248 2.604 -13.087 1.00 35.32 H new ATOM 0 HA GLU A 49 18.139 1.447 -10.731 1.00 20.32 H new ATOM 0 HB2 GLU A 49 16.904 2.488 -13.298 1.00 22.02 H new ATOM 0 HB3 GLU A 49 15.996 2.011 -11.877 1.00 22.02 H new ATOM 0 HG2 GLU A 49 17.312 3.769 -10.562 1.00 63.23 H new ATOM 0 HG3 GLU A 49 17.980 4.316 -12.087 1.00 63.23 H new ATOM 751 N LYS A 50 17.548 -0.947 -11.449 1.00 73.13 N ATOM 752 CA LYS A 50 17.169 -2.319 -11.806 1.00 24.03 C ATOM 753 C LYS A 50 15.945 -2.690 -10.987 1.00 61.14 C ATOM 754 O LYS A 50 15.985 -2.612 -9.754 1.00 14.50 O ATOM 755 CB LYS A 50 18.317 -3.313 -11.550 1.00 33.14 C ATOM 756 CG LYS A 50 19.581 -2.938 -12.333 1.00 41.44 C ATOM 757 CD LYS A 50 20.755 -3.895 -12.131 1.00 40.24 C ATOM 758 CE LYS A 50 20.701 -5.168 -12.978 1.00 52.21 C ATOM 759 NZ LYS A 50 21.974 -5.913 -12.870 1.00 24.21 N ATOM 0 H LYS A 50 17.620 -0.799 -10.442 1.00 73.13 H new ATOM 0 HA LYS A 50 16.947 -2.370 -12.872 1.00 24.03 H new ATOM 0 HB2 LYS A 50 18.544 -3.339 -10.484 1.00 33.14 H new ATOM 0 HB3 LYS A 50 17.999 -4.316 -11.833 1.00 33.14 H new ATOM 0 HG2 LYS A 50 19.338 -2.899 -13.395 1.00 41.44 H new ATOM 0 HG3 LYS A 50 19.891 -1.935 -12.040 1.00 41.44 H new ATOM 0 HD2 LYS A 50 21.680 -3.365 -12.357 1.00 40.24 H new ATOM 0 HD3 LYS A 50 20.798 -4.177 -11.079 1.00 40.24 H new ATOM 0 HE2 LYS A 50 19.875 -5.797 -12.648 1.00 52.21 H new ATOM 0 HE3 LYS A 50 20.510 -4.911 -14.020 1.00 52.21 H new ATOM 0 HZ1 LYS A 50 21.922 -6.775 -13.450 1.00 24.21 H new ATOM 0 HZ2 LYS A 50 22.756 -5.315 -13.207 1.00 24.21 H new ATOM 0 HZ3 LYS A 50 22.140 -6.174 -11.877 1.00 24.21 H new ATOM 773 N THR A 51 14.845 -3.053 -11.643 1.00 63.23 N ATOM 774 CA THR A 51 13.655 -3.459 -10.920 1.00 74.33 C ATOM 775 C THR A 51 13.783 -4.895 -10.408 1.00 24.41 C ATOM 776 O THR A 51 14.658 -5.655 -10.846 1.00 21.24 O ATOM 777 CB THR A 51 12.381 -3.255 -11.753 1.00 41.24 C ATOM 778 OG1 THR A 51 12.366 -4.068 -12.907 1.00 53.44 O ATOM 779 CG2 THR A 51 12.187 -1.807 -12.177 1.00 41.41 C ATOM 0 H THR A 51 14.758 -3.073 -12.659 1.00 63.23 H new ATOM 0 HA THR A 51 13.563 -2.810 -10.049 1.00 74.33 H new ATOM 0 HB THR A 51 11.561 -3.544 -11.096 1.00 41.24 H new ATOM 0 HG1 THR A 51 11.539 -3.910 -13.408 1.00 53.44 H new ATOM 0 HG21 THR A 51 11.272 -1.719 -12.763 1.00 41.41 H new ATOM 0 HG22 THR A 51 12.113 -1.175 -11.292 1.00 41.41 H new ATOM 0 HG23 THR A 51 13.037 -1.488 -12.781 1.00 41.41 H new ATOM 787 N PHE A 52 12.871 -5.276 -9.511 1.00 73.45 N ATOM 788 CA PHE A 52 12.734 -6.621 -8.956 1.00 75.44 C ATOM 789 C PHE A 52 11.263 -7.051 -8.944 1.00 52.25 C ATOM 790 O PHE A 52 10.384 -6.184 -9.022 1.00 74.12 O ATOM 791 CB PHE A 52 13.327 -6.644 -7.539 1.00 21.22 C ATOM 792 CG PHE A 52 14.833 -6.726 -7.567 1.00 41.45 C ATOM 793 CD1 PHE A 52 15.458 -7.984 -7.630 1.00 4.31 C ATOM 794 CD2 PHE A 52 15.603 -5.552 -7.653 1.00 11.52 C ATOM 795 CE1 PHE A 52 16.847 -8.067 -7.796 1.00 10.30 C ATOM 796 CE2 PHE A 52 16.994 -5.637 -7.811 1.00 54.15 C ATOM 797 CZ PHE A 52 17.616 -6.895 -7.879 1.00 23.41 C ATOM 0 H PHE A 52 12.179 -4.627 -9.137 1.00 73.45 H new ATOM 0 HA PHE A 52 13.278 -7.330 -9.580 1.00 75.44 H new ATOM 0 HB2 PHE A 52 13.021 -5.746 -7.002 1.00 21.22 H new ATOM 0 HB3 PHE A 52 12.926 -7.496 -6.990 1.00 21.22 H new ATOM 0 HD1 PHE A 52 14.868 -8.885 -7.551 1.00 4.31 H new ATOM 0 HD2 PHE A 52 15.123 -4.586 -7.597 1.00 11.52 H new ATOM 0 HE1 PHE A 52 17.326 -9.033 -7.860 1.00 10.30 H new ATOM 0 HE2 PHE A 52 17.586 -4.737 -7.880 1.00 54.15 H new ATOM 0 HZ PHE A 52 18.688 -6.961 -7.995 1.00 23.41 H new ATOM 807 N PRO A 53 10.973 -8.364 -8.827 1.00 11.33 N ATOM 808 CA PRO A 53 9.613 -8.880 -8.752 1.00 23.42 C ATOM 809 C PRO A 53 8.898 -8.361 -7.509 1.00 21.11 C ATOM 810 O PRO A 53 9.337 -8.630 -6.384 1.00 54.12 O ATOM 811 CB PRO A 53 9.714 -10.411 -8.739 1.00 54.25 C ATOM 812 CG PRO A 53 11.161 -10.686 -8.337 1.00 61.41 C ATOM 813 CD PRO A 53 11.915 -9.475 -8.876 1.00 1.31 C ATOM 0 HA PRO A 53 9.026 -8.544 -9.607 1.00 23.42 H new ATOM 0 HB2 PRO A 53 9.013 -10.851 -8.030 1.00 54.25 H new ATOM 0 HB3 PRO A 53 9.485 -10.834 -9.717 1.00 54.25 H new ATOM 0 HG2 PRO A 53 11.267 -10.777 -7.256 1.00 61.41 H new ATOM 0 HG3 PRO A 53 11.529 -11.615 -8.773 1.00 61.41 H new ATOM 0 HD2 PRO A 53 12.799 -9.265 -8.273 1.00 1.31 H new ATOM 0 HD3 PRO A 53 12.259 -9.651 -9.895 1.00 1.31 H new ATOM 821 N PHE A 54 7.780 -7.662 -7.705 1.00 52.01 N ATOM 822 CA PHE A 54 6.810 -7.434 -6.643 1.00 25.14 C ATOM 823 C PHE A 54 5.897 -8.658 -6.576 1.00 42.14 C ATOM 824 O PHE A 54 5.321 -9.042 -7.598 1.00 12.21 O ATOM 825 CB PHE A 54 6.033 -6.124 -6.867 1.00 1.32 C ATOM 826 CG PHE A 54 5.838 -5.359 -5.565 1.00 21.53 C ATOM 827 CD1 PHE A 54 5.210 -5.960 -4.453 1.00 73.55 C ATOM 828 CD2 PHE A 54 6.332 -4.046 -5.443 1.00 60.32 C ATOM 829 CE1 PHE A 54 5.078 -5.254 -3.245 1.00 51.11 C ATOM 830 CE2 PHE A 54 6.186 -3.334 -4.242 1.00 0.44 C ATOM 831 CZ PHE A 54 5.565 -3.940 -3.139 1.00 20.42 C ATOM 0 H PHE A 54 7.526 -7.242 -8.599 1.00 52.01 H new ATOM 0 HA PHE A 54 7.313 -7.311 -5.684 1.00 25.14 H new ATOM 0 HB2 PHE A 54 6.570 -5.499 -7.580 1.00 1.32 H new ATOM 0 HB3 PHE A 54 5.061 -6.347 -7.308 1.00 1.32 H new ATOM 0 HD1 PHE A 54 4.829 -6.968 -4.531 1.00 73.55 H new ATOM 0 HD2 PHE A 54 6.828 -3.582 -6.282 1.00 60.32 H new ATOM 0 HE1 PHE A 54 4.601 -5.722 -2.396 1.00 51.11 H new ATOM 0 HE2 PHE A 54 6.551 -2.320 -4.167 1.00 0.44 H new ATOM 0 HZ PHE A 54 5.462 -3.398 -2.211 1.00 20.42 H new ATOM 841 N THR A 55 5.800 -9.305 -5.415 1.00 13.32 N ATOM 842 CA THR A 55 4.858 -10.388 -5.142 1.00 13.20 C ATOM 843 C THR A 55 4.533 -10.445 -3.641 1.00 3.31 C ATOM 844 O THR A 55 5.053 -9.655 -2.848 1.00 51.24 O ATOM 845 CB THR A 55 5.408 -11.716 -5.698 1.00 5.31 C ATOM 846 OG1 THR A 55 4.480 -12.768 -5.552 1.00 42.22 O ATOM 847 CG2 THR A 55 6.747 -12.103 -5.070 1.00 74.23 C ATOM 0 H THR A 55 6.393 -9.083 -4.615 1.00 13.32 H new ATOM 0 HA THR A 55 3.914 -10.200 -5.654 1.00 13.20 H new ATOM 0 HB THR A 55 5.577 -11.549 -6.762 1.00 5.31 H new ATOM 0 HG1 THR A 55 4.862 -13.594 -5.917 1.00 42.22 H new ATOM 0 HG21 THR A 55 7.090 -13.046 -5.496 1.00 74.23 H new ATOM 0 HG22 THR A 55 7.482 -11.324 -5.272 1.00 74.23 H new ATOM 0 HG23 THR A 55 6.625 -12.215 -3.993 1.00 74.23 H new ATOM 855 N LYS A 56 3.716 -11.430 -3.257 1.00 12.32 N ATOM 856 CA LYS A 56 3.232 -11.709 -1.906 1.00 1.24 C ATOM 857 C LYS A 56 4.353 -11.843 -0.885 1.00 2.32 C ATOM 858 O LYS A 56 4.155 -11.530 0.289 1.00 23.44 O ATOM 859 CB LYS A 56 2.385 -12.990 -1.923 1.00 12.01 C ATOM 860 CG LYS A 56 3.192 -14.293 -1.916 1.00 54.13 C ATOM 861 CD LYS A 56 2.355 -15.510 -2.300 1.00 53.02 C ATOM 862 CE LYS A 56 1.153 -15.755 -1.376 1.00 33.41 C ATOM 863 NZ LYS A 56 0.784 -17.186 -1.427 1.00 52.01 N ATOM 0 H LYS A 56 3.350 -12.101 -3.933 1.00 12.32 H new ATOM 0 HA LYS A 56 2.629 -10.855 -1.597 1.00 1.24 H new ATOM 0 HB2 LYS A 56 1.724 -12.984 -1.056 1.00 12.01 H new ATOM 0 HB3 LYS A 56 1.750 -12.977 -2.809 1.00 12.01 H new ATOM 0 HG2 LYS A 56 4.029 -14.200 -2.608 1.00 54.13 H new ATOM 0 HG3 LYS A 56 3.615 -14.447 -0.923 1.00 54.13 H new ATOM 0 HD2 LYS A 56 1.996 -15.384 -3.321 1.00 53.02 H new ATOM 0 HD3 LYS A 56 2.992 -16.394 -2.293 1.00 53.02 H new ATOM 0 HE2 LYS A 56 1.400 -15.467 -0.354 1.00 33.41 H new ATOM 0 HE3 LYS A 56 0.309 -15.138 -1.686 1.00 33.41 H new ATOM 0 HZ1 LYS A 56 -0.030 -17.357 -0.803 1.00 52.01 H new ATOM 0 HZ2 LYS A 56 0.533 -17.445 -2.402 1.00 52.01 H new ATOM 0 HZ3 LYS A 56 1.589 -17.764 -1.112 1.00 52.01 H new ATOM 877 N GLU A 57 5.527 -12.301 -1.326 1.00 72.15 N ATOM 878 CA GLU A 57 6.730 -12.456 -0.515 1.00 70.31 C ATOM 879 C GLU A 57 7.100 -11.140 0.178 1.00 10.14 C ATOM 880 O GLU A 57 7.783 -11.140 1.197 1.00 44.23 O ATOM 881 CB GLU A 57 7.885 -12.857 -1.442 1.00 70.33 C ATOM 882 CG GLU A 57 8.897 -13.818 -0.811 1.00 11.52 C ATOM 883 CD GLU A 57 8.432 -15.266 -0.965 1.00 34.31 C ATOM 884 OE1 GLU A 57 8.734 -15.890 -2.025 1.00 21.12 O ATOM 885 OE2 GLU A 57 7.767 -15.766 -0.035 1.00 13.04 O ATOM 0 H GLU A 57 5.668 -12.584 -2.296 1.00 72.15 H new ATOM 0 HA GLU A 57 6.547 -13.214 0.247 1.00 70.31 H new ATOM 0 HB2 GLU A 57 7.472 -13.320 -2.338 1.00 70.33 H new ATOM 0 HB3 GLU A 57 8.408 -11.956 -1.762 1.00 70.33 H new ATOM 0 HG2 GLU A 57 9.871 -13.691 -1.284 1.00 11.52 H new ATOM 0 HG3 GLU A 57 9.022 -13.581 0.246 1.00 11.52 H new ATOM 892 N LYS A 58 6.677 -10.018 -0.410 1.00 14.04 N ATOM 893 CA LYS A 58 7.029 -8.661 -0.034 1.00 10.30 C ATOM 894 C LYS A 58 5.756 -7.869 0.245 1.00 24.54 C ATOM 895 O LYS A 58 5.620 -6.717 -0.158 1.00 23.53 O ATOM 896 CB LYS A 58 7.835 -8.024 -1.156 1.00 73.44 C ATOM 897 CG LYS A 58 9.069 -8.831 -1.578 1.00 64.25 C ATOM 898 CD LYS A 58 8.907 -9.318 -3.021 1.00 51.01 C ATOM 899 CE LYS A 58 10.235 -9.836 -3.565 1.00 43.21 C ATOM 900 NZ LYS A 58 11.068 -8.746 -4.112 1.00 14.24 N ATOM 0 H LYS A 58 6.042 -10.042 -1.208 1.00 14.04 H new ATOM 0 HA LYS A 58 7.637 -8.664 0.870 1.00 10.30 H new ATOM 0 HB2 LYS A 58 7.188 -7.890 -2.023 1.00 73.44 H new ATOM 0 HB3 LYS A 58 8.154 -7.031 -0.841 1.00 73.44 H new ATOM 0 HG2 LYS A 58 9.964 -8.215 -1.492 1.00 64.25 H new ATOM 0 HG3 LYS A 58 9.203 -9.682 -0.911 1.00 64.25 H new ATOM 0 HD2 LYS A 58 8.158 -10.109 -3.062 1.00 51.01 H new ATOM 0 HD3 LYS A 58 8.544 -8.503 -3.647 1.00 51.01 H new ATOM 0 HE2 LYS A 58 10.779 -10.345 -2.770 1.00 43.21 H new ATOM 0 HE3 LYS A 58 10.045 -10.574 -4.344 1.00 43.21 H new ATOM 0 HZ1 LYS A 58 12.040 -9.088 -4.252 1.00 14.24 H new ATOM 0 HZ2 LYS A 58 10.677 -8.434 -5.024 1.00 14.24 H new ATOM 0 HZ3 LYS A 58 11.075 -7.947 -3.447 1.00 14.24 H new ATOM 914 N TRP A 59 4.777 -8.543 0.835 1.00 50.34 N ATOM 915 CA TRP A 59 3.494 -7.971 1.202 1.00 62.23 C ATOM 916 C TRP A 59 3.476 -7.616 2.693 1.00 4.21 C ATOM 917 O TRP A 59 3.181 -8.513 3.491 1.00 65.51 O ATOM 918 CB TRP A 59 2.328 -8.880 0.804 1.00 44.43 C ATOM 919 CG TRP A 59 1.014 -8.205 1.021 1.00 30.22 C ATOM 920 CD1 TRP A 59 0.237 -8.304 2.123 1.00 74.11 C ATOM 921 CD2 TRP A 59 0.415 -7.165 0.201 1.00 41.15 C ATOM 922 NE1 TRP A 59 -0.800 -7.395 2.033 1.00 5.00 N ATOM 923 CE2 TRP A 59 -0.732 -6.654 0.875 1.00 72.14 C ATOM 924 CE3 TRP A 59 0.764 -6.578 -1.032 1.00 73.25 C ATOM 925 CZ2 TRP A 59 -1.474 -5.581 0.359 1.00 20.34 C ATOM 926 CZ3 TRP A 59 0.017 -5.512 -1.558 1.00 63.15 C ATOM 927 CH2 TRP A 59 -1.079 -5.006 -0.849 1.00 24.11 C ATOM 0 H TRP A 59 4.859 -9.530 1.077 1.00 50.34 H new ATOM 0 HA TRP A 59 3.359 -7.047 0.640 1.00 62.23 H new ATOM 0 HB2 TRP A 59 2.426 -9.162 -0.244 1.00 44.43 H new ATOM 0 HB3 TRP A 59 2.367 -9.801 1.386 1.00 44.43 H new ATOM 0 HD1 TRP A 59 0.401 -8.986 2.944 1.00 74.11 H new ATOM 0 HE1 TRP A 59 -1.528 -7.286 2.739 1.00 5.00 H new ATOM 0 HE3 TRP A 59 1.617 -6.953 -1.579 1.00 73.25 H new ATOM 0 HZ2 TRP A 59 -2.337 -5.206 0.889 1.00 20.34 H new ATOM 0 HZ3 TRP A 59 0.288 -5.082 -2.511 1.00 63.15 H new ATOM 0 HH2 TRP A 59 -1.625 -4.161 -1.242 1.00 24.11 H new ATOM 938 N PRO A 60 3.916 -6.416 3.116 1.00 74.14 N ATOM 939 CA PRO A 60 3.671 -5.970 4.476 1.00 5.03 C ATOM 940 C PRO A 60 2.156 -5.850 4.707 1.00 44.21 C ATOM 941 O PRO A 60 1.432 -5.303 3.868 1.00 13.11 O ATOM 942 CB PRO A 60 4.424 -4.652 4.652 1.00 21.23 C ATOM 943 CG PRO A 60 4.480 -4.093 3.238 1.00 55.35 C ATOM 944 CD PRO A 60 4.444 -5.318 2.324 1.00 44.45 C ATOM 0 HA PRO A 60 4.032 -6.676 5.224 1.00 5.03 H new ATOM 0 HB2 PRO A 60 3.902 -3.978 5.331 1.00 21.23 H new ATOM 0 HB3 PRO A 60 5.421 -4.810 5.063 1.00 21.23 H new ATOM 0 HG2 PRO A 60 3.637 -3.430 3.042 1.00 55.35 H new ATOM 0 HG3 PRO A 60 5.387 -3.510 3.080 1.00 55.35 H new ATOM 0 HD2 PRO A 60 3.816 -5.132 1.453 1.00 44.45 H new ATOM 0 HD3 PRO A 60 5.442 -5.553 1.953 1.00 44.45 H new ATOM 952 N LEU A 61 1.680 -6.433 5.807 1.00 65.14 N ATOM 953 CA LEU A 61 0.295 -6.423 6.267 1.00 74.13 C ATOM 954 C LEU A 61 0.000 -5.069 6.915 1.00 71.55 C ATOM 955 O LEU A 61 0.410 -4.827 8.045 1.00 65.35 O ATOM 956 CB LEU A 61 0.075 -7.563 7.281 1.00 33.31 C ATOM 957 CG LEU A 61 0.044 -8.968 6.652 1.00 44.04 C ATOM 958 CD1 LEU A 61 0.077 -10.046 7.739 1.00 72.15 C ATOM 959 CD2 LEU A 61 -1.212 -9.169 5.804 1.00 32.53 C ATOM 0 H LEU A 61 2.289 -6.955 6.437 1.00 65.14 H new ATOM 0 HA LEU A 61 -0.380 -6.576 5.424 1.00 74.13 H new ATOM 0 HB2 LEU A 61 0.868 -7.529 8.028 1.00 33.31 H new ATOM 0 HB3 LEU A 61 -0.865 -7.391 7.806 1.00 33.31 H new ATOM 0 HG LEU A 61 0.925 -9.055 6.016 1.00 44.04 H new ATOM 0 HD11 LEU A 61 0.054 -11.032 7.275 1.00 72.15 H new ATOM 0 HD12 LEU A 61 0.989 -9.942 8.327 1.00 72.15 H new ATOM 0 HD13 LEU A 61 -0.789 -9.932 8.391 1.00 72.15 H new ATOM 0 HD21 LEU A 61 -1.204 -10.170 5.374 1.00 32.53 H new ATOM 0 HD22 LEU A 61 -2.096 -9.050 6.430 1.00 32.53 H new ATOM 0 HD23 LEU A 61 -1.232 -8.430 5.003 1.00 32.53 H new ATOM 971 N LEU A 62 -0.675 -4.180 6.184 1.00 72.53 N ATOM 972 CA LEU A 62 -0.957 -2.812 6.630 1.00 42.41 C ATOM 973 C LEU A 62 -2.163 -2.790 7.573 1.00 64.22 C ATOM 974 O LEU A 62 -3.032 -3.663 7.457 1.00 4.44 O ATOM 975 CB LEU A 62 -1.273 -1.907 5.426 1.00 13.40 C ATOM 976 CG LEU A 62 -0.288 -1.964 4.246 1.00 14.14 C ATOM 977 CD1 LEU A 62 -0.724 -0.936 3.203 1.00 42.04 C ATOM 978 CD2 LEU A 62 1.183 -1.725 4.606 1.00 20.32 C ATOM 0 H LEU A 62 -1.045 -4.390 5.257 1.00 72.53 H new ATOM 0 HA LEU A 62 -0.072 -2.446 7.150 1.00 42.41 H new ATOM 0 HB2 LEU A 62 -2.265 -2.167 5.055 1.00 13.40 H new ATOM 0 HB3 LEU A 62 -1.324 -0.877 5.778 1.00 13.40 H new ATOM 0 HG LEU A 62 -0.328 -2.986 3.869 1.00 14.14 H new ATOM 0 HD11 LEU A 62 -0.037 -0.962 2.357 1.00 42.04 H new ATOM 0 HD12 LEU A 62 -1.731 -1.171 2.859 1.00 42.04 H new ATOM 0 HD13 LEU A 62 -0.716 0.059 3.647 1.00 42.04 H new ATOM 0 HD21 LEU A 62 1.793 -1.786 3.705 1.00 20.32 H new ATOM 0 HD22 LEU A 62 1.293 -0.736 5.052 1.00 20.32 H new ATOM 0 HD23 LEU A 62 1.511 -2.482 5.318 1.00 20.32 H new ATOM 990 N ASP A 63 -2.304 -1.739 8.387 1.00 54.25 N ATOM 991 CA ASP A 63 -3.314 -1.567 9.442 1.00 21.51 C ATOM 992 C ASP A 63 -4.204 -0.350 9.215 1.00 64.54 C ATOM 993 O ASP A 63 -4.012 0.440 8.287 1.00 40.05 O ATOM 994 CB ASP A 63 -2.659 -1.460 10.836 1.00 1.02 C ATOM 995 CG ASP A 63 -1.588 -0.378 10.979 1.00 13.04 C ATOM 996 OD1 ASP A 63 -1.575 0.562 10.163 1.00 20.34 O ATOM 997 OD2 ASP A 63 -0.861 -0.455 12.007 1.00 1.41 O ATOM 0 H ASP A 63 -1.679 -0.935 8.325 1.00 54.25 H new ATOM 0 HA ASP A 63 -3.940 -2.458 9.399 1.00 21.51 H new ATOM 0 HB2 ASP A 63 -3.441 -1.272 11.572 1.00 1.02 H new ATOM 0 HB3 ASP A 63 -2.213 -2.423 11.083 1.00 1.02 H new ATOM 1002 N SER A 64 -5.240 -0.215 10.045 1.00 52.01 N ATOM 1003 CA SER A 64 -6.249 0.824 9.864 1.00 72.15 C ATOM 1004 C SER A 64 -5.785 2.220 10.247 1.00 3.42 C ATOM 1005 O SER A 64 -6.475 3.191 9.930 1.00 51.01 O ATOM 1006 CB SER A 64 -7.529 0.477 10.634 1.00 54.02 C ATOM 1007 OG SER A 64 -8.636 1.189 10.105 1.00 41.34 O ATOM 0 H SER A 64 -5.400 -0.817 10.853 1.00 52.01 H new ATOM 0 HA SER A 64 -6.447 0.848 8.792 1.00 72.15 H new ATOM 0 HB2 SER A 64 -7.717 -0.595 10.575 1.00 54.02 H new ATOM 0 HB3 SER A 64 -7.403 0.721 11.689 1.00 54.02 H new ATOM 0 HG SER A 64 -8.350 2.088 9.840 1.00 41.34 H new ATOM 1013 N GLU A 65 -4.662 2.342 10.936 1.00 15.10 N ATOM 1014 CA GLU A 65 -4.193 3.633 11.404 1.00 0.40 C ATOM 1015 C GLU A 65 -3.484 4.424 10.302 1.00 33.33 C ATOM 1016 O GLU A 65 -3.530 5.652 10.320 1.00 53.34 O ATOM 1017 CB GLU A 65 -3.339 3.448 12.649 1.00 61.43 C ATOM 1018 CG GLU A 65 -2.114 2.583 12.426 1.00 0.43 C ATOM 1019 CD GLU A 65 -1.077 2.824 13.520 1.00 71.12 C ATOM 1020 OE1 GLU A 65 -1.433 2.708 14.727 1.00 51.21 O ATOM 1021 OE2 GLU A 65 0.060 3.189 13.179 1.00 0.34 O ATOM 0 H GLU A 65 -4.057 1.559 11.184 1.00 15.10 H new ATOM 0 HA GLU A 65 -5.055 4.241 11.679 1.00 0.40 H new ATOM 0 HB2 GLU A 65 -3.021 4.426 13.009 1.00 61.43 H new ATOM 0 HB3 GLU A 65 -3.949 3.002 13.434 1.00 61.43 H new ATOM 0 HG2 GLU A 65 -2.402 1.532 12.416 1.00 0.43 H new ATOM 0 HG3 GLU A 65 -1.679 2.804 11.451 1.00 0.43 H new ATOM 1028 N THR A 66 -2.909 3.761 9.295 1.00 75.55 N ATOM 1029 CA THR A 66 -2.410 4.493 8.130 1.00 40.14 C ATOM 1030 C THR A 66 -3.564 5.152 7.351 1.00 24.40 C ATOM 1031 O THR A 66 -3.349 6.148 6.658 1.00 72.45 O ATOM 1032 CB THR A 66 -1.585 3.598 7.196 1.00 71.44 C ATOM 1033 OG1 THR A 66 -0.832 2.632 7.902 1.00 51.44 O ATOM 1034 CG2 THR A 66 -0.657 4.448 6.310 1.00 63.53 C ATOM 0 H THR A 66 -2.780 2.750 9.261 1.00 75.55 H new ATOM 0 HA THR A 66 -1.752 5.274 8.510 1.00 40.14 H new ATOM 0 HB THR A 66 -2.294 3.062 6.565 1.00 71.44 H new ATOM 0 HG1 THR A 66 -0.325 2.085 7.267 1.00 51.44 H new ATOM 0 HG21 THR A 66 -0.081 3.795 5.655 1.00 63.53 H new ATOM 0 HG22 THR A 66 -1.255 5.131 5.707 1.00 63.53 H new ATOM 0 HG23 THR A 66 0.023 5.021 6.940 1.00 63.53 H new ATOM 1042 N MET A 67 -4.794 4.628 7.466 1.00 42.04 N ATOM 1043 CA MET A 67 -5.989 5.132 6.787 1.00 4.22 C ATOM 1044 C MET A 67 -6.587 6.299 7.584 1.00 42.11 C ATOM 1045 O MET A 67 -7.751 6.283 7.999 1.00 75.33 O ATOM 1046 CB MET A 67 -6.965 3.974 6.514 1.00 54.41 C ATOM 1047 CG MET A 67 -8.148 4.334 5.597 1.00 3.31 C ATOM 1048 SD MET A 67 -7.748 5.132 4.009 1.00 3.30 S ATOM 1049 CE MET A 67 -7.170 3.733 3.019 1.00 42.34 C ATOM 0 H MET A 67 -4.986 3.817 8.053 1.00 42.04 H new ATOM 0 HA MET A 67 -5.737 5.540 5.808 1.00 4.22 H new ATOM 0 HB2 MET A 67 -6.412 3.149 6.065 1.00 54.41 H new ATOM 0 HB3 MET A 67 -7.357 3.615 7.466 1.00 54.41 H new ATOM 0 HG2 MET A 67 -8.704 3.421 5.387 1.00 3.31 H new ATOM 0 HG3 MET A 67 -8.817 4.994 6.149 1.00 3.31 H new ATOM 0 HE1 MET A 67 -6.545 4.098 2.204 1.00 42.34 H new ATOM 0 HE2 MET A 67 -6.589 3.058 3.647 1.00 42.34 H new ATOM 0 HE3 MET A 67 -8.027 3.199 2.608 1.00 42.34 H new ATOM 1059 N LYS A 68 -5.764 7.315 7.830 1.00 42.45 N ATOM 1060 CA LYS A 68 -6.161 8.594 8.395 1.00 21.33 C ATOM 1061 C LYS A 68 -5.539 9.686 7.541 1.00 43.44 C ATOM 1062 O LYS A 68 -4.445 9.525 6.989 1.00 74.44 O ATOM 1063 CB LYS A 68 -5.712 8.720 9.867 1.00 32.10 C ATOM 1064 CG LYS A 68 -6.695 8.102 10.874 1.00 33.44 C ATOM 1065 CD LYS A 68 -6.431 6.617 11.155 1.00 15.10 C ATOM 1066 CE LYS A 68 -7.599 5.990 11.919 1.00 61.22 C ATOM 1067 NZ LYS A 68 -7.500 6.177 13.380 1.00 12.31 N ATOM 0 H LYS A 68 -4.765 7.264 7.632 1.00 42.45 H new ATOM 0 HA LYS A 68 -7.247 8.683 8.392 1.00 21.33 H new ATOM 0 HB2 LYS A 68 -4.740 8.240 9.982 1.00 32.10 H new ATOM 0 HB3 LYS A 68 -5.577 9.775 10.106 1.00 32.10 H new ATOM 0 HG2 LYS A 68 -6.639 8.656 11.811 1.00 33.44 H new ATOM 0 HG3 LYS A 68 -7.711 8.217 10.495 1.00 33.44 H new ATOM 0 HD2 LYS A 68 -6.279 6.086 10.215 1.00 15.10 H new ATOM 0 HD3 LYS A 68 -5.513 6.510 11.733 1.00 15.10 H new ATOM 0 HE2 LYS A 68 -8.533 6.426 11.565 1.00 61.22 H new ATOM 0 HE3 LYS A 68 -7.641 4.924 11.697 1.00 61.22 H new ATOM 0 HZ1 LYS A 68 -8.318 5.732 13.843 1.00 12.31 H new ATOM 0 HZ2 LYS A 68 -6.624 5.738 13.728 1.00 12.31 H new ATOM 0 HZ3 LYS A 68 -7.489 7.193 13.600 1.00 12.31 H new ATOM 1081 N GLU A 69 -6.229 10.821 7.468 1.00 42.45 N ATOM 1082 CA GLU A 69 -5.792 11.981 6.725 1.00 43.24 C ATOM 1083 C GLU A 69 -5.422 13.086 7.687 1.00 62.24 C ATOM 1084 O GLU A 69 -6.264 13.527 8.471 1.00 55.31 O ATOM 1085 CB GLU A 69 -6.879 12.462 5.749 1.00 4.43 C ATOM 1086 CG GLU A 69 -7.335 11.420 4.723 1.00 51.35 C ATOM 1087 CD GLU A 69 -8.499 10.559 5.216 1.00 41.35 C ATOM 1088 OE1 GLU A 69 -9.649 11.077 5.255 1.00 34.10 O ATOM 1089 OE2 GLU A 69 -8.319 9.379 5.550 1.00 4.34 O ATOM 0 H GLU A 69 -7.125 10.954 7.936 1.00 42.45 H new ATOM 0 HA GLU A 69 -4.918 11.705 6.135 1.00 43.24 H new ATOM 0 HB2 GLU A 69 -7.746 12.786 6.325 1.00 4.43 H new ATOM 0 HB3 GLU A 69 -6.506 13.336 5.215 1.00 4.43 H new ATOM 0 HG2 GLU A 69 -7.631 11.928 3.805 1.00 51.35 H new ATOM 0 HG3 GLU A 69 -6.494 10.774 4.473 1.00 51.35 H new ATOM 1096 N GLU A 70 -4.175 13.545 7.604 1.00 75.12 N ATOM 1097 CA GLU A 70 -3.691 14.635 8.418 1.00 40.42 C ATOM 1098 C GLU A 70 -2.718 15.520 7.630 1.00 35.53 C ATOM 1099 O GLU A 70 -2.493 15.325 6.431 1.00 31.14 O ATOM 1100 CB GLU A 70 -3.189 14.110 9.771 1.00 35.53 C ATOM 1101 CG GLU A 70 -1.808 13.474 9.844 1.00 22.30 C ATOM 1102 CD GLU A 70 -1.593 12.773 11.200 1.00 33.20 C ATOM 1103 OE1 GLU A 70 -1.990 13.353 12.250 1.00 42.15 O ATOM 1104 OE2 GLU A 70 -1.074 11.640 11.255 1.00 55.15 O ATOM 0 H GLU A 70 -3.477 13.164 6.965 1.00 75.12 H new ATOM 0 HA GLU A 70 -4.506 15.311 8.674 1.00 40.42 H new ATOM 0 HB2 GLU A 70 -3.207 14.942 10.475 1.00 35.53 H new ATOM 0 HB3 GLU A 70 -3.910 13.375 10.128 1.00 35.53 H new ATOM 0 HG2 GLU A 70 -1.693 12.752 9.035 1.00 22.30 H new ATOM 0 HG3 GLU A 70 -1.044 14.238 9.700 1.00 22.30 H new ATOM 1111 N ARG A 71 -2.248 16.591 8.273 1.00 24.33 N ATOM 1112 CA ARG A 71 -1.525 17.687 7.642 1.00 55.34 C ATOM 1113 C ARG A 71 -0.681 18.355 8.725 1.00 53.02 C ATOM 1114 O ARG A 71 -1.057 19.391 9.281 1.00 20.12 O ATOM 1115 CB ARG A 71 -2.556 18.618 6.976 1.00 63.52 C ATOM 1116 CG ARG A 71 -1.906 19.734 6.145 1.00 63.24 C ATOM 1117 CD ARG A 71 -2.323 21.138 6.603 1.00 64.31 C ATOM 1118 NE ARG A 71 -2.529 22.045 5.459 1.00 52.04 N ATOM 1119 CZ ARG A 71 -3.664 22.176 4.758 1.00 60.24 C ATOM 1120 NH1 ARG A 71 -4.776 21.559 5.155 1.00 55.24 N ATOM 1121 NH2 ARG A 71 -3.667 22.882 3.639 1.00 44.33 N ATOM 0 H ARG A 71 -2.366 16.719 9.278 1.00 24.33 H new ATOM 0 HA ARG A 71 -0.845 17.366 6.853 1.00 55.34 H new ATOM 0 HB2 ARG A 71 -3.209 18.028 6.334 1.00 63.52 H new ATOM 0 HB3 ARG A 71 -3.185 19.065 7.746 1.00 63.52 H new ATOM 0 HG2 ARG A 71 -0.822 19.643 6.209 1.00 63.24 H new ATOM 0 HG3 ARG A 71 -2.176 19.604 5.097 1.00 63.24 H new ATOM 0 HD2 ARG A 71 -3.242 21.073 7.186 1.00 64.31 H new ATOM 0 HD3 ARG A 71 -1.557 21.549 7.260 1.00 64.31 H new ATOM 0 HE ARG A 71 -1.738 22.624 5.176 1.00 52.04 H new ATOM 0 HH11 ARG A 71 -4.767 20.983 5.997 1.00 55.24 H new ATOM 0 HH12 ARG A 71 -5.637 21.663 4.617 1.00 55.24 H new ATOM 0 HH21 ARG A 71 -2.808 23.324 3.313 1.00 44.33 H new ATOM 0 HH22 ARG A 71 -4.529 22.984 3.103 1.00 44.33 H new ATOM 1135 N ILE A 72 0.386 17.688 9.140 1.00 32.42 N ATOM 1136 CA ILE A 72 1.242 18.105 10.240 1.00 23.54 C ATOM 1137 C ILE A 72 2.062 19.311 9.778 1.00 73.44 C ATOM 1138 O ILE A 72 2.638 19.284 8.695 1.00 44.44 O ATOM 1139 CB ILE A 72 2.111 16.906 10.673 1.00 62.23 C ATOM 1140 CG1 ILE A 72 1.226 15.775 11.263 1.00 55.05 C ATOM 1141 CG2 ILE A 72 3.178 17.284 11.705 1.00 55.32 C ATOM 1142 CD1 ILE A 72 1.438 14.445 10.545 1.00 35.43 C ATOM 0 H ILE A 72 0.689 16.815 8.707 1.00 32.42 H new ATOM 0 HA ILE A 72 0.668 18.414 11.113 1.00 23.54 H new ATOM 0 HB ILE A 72 2.620 16.562 9.773 1.00 62.23 H new ATOM 0 HG12 ILE A 72 1.452 15.654 12.323 1.00 55.05 H new ATOM 0 HG13 ILE A 72 0.177 16.062 11.191 1.00 55.05 H new ATOM 0 HG21 ILE A 72 3.757 16.399 11.970 1.00 55.32 H new ATOM 0 HG22 ILE A 72 3.841 18.039 11.283 1.00 55.32 H new ATOM 0 HG23 ILE A 72 2.696 17.683 12.597 1.00 55.32 H new ATOM 0 HD11 ILE A 72 0.798 13.684 10.992 1.00 35.43 H new ATOM 0 HD12 ILE A 72 1.186 14.557 9.490 1.00 35.43 H new ATOM 0 HD13 ILE A 72 2.481 14.143 10.639 1.00 35.43 H new ATOM 1154 N THR A 73 2.109 20.358 10.598 1.00 24.50 N ATOM 1155 CA THR A 73 2.773 21.624 10.355 1.00 72.33 C ATOM 1156 C THR A 73 3.978 21.731 11.299 1.00 35.24 C ATOM 1157 O THR A 73 3.843 22.074 12.480 1.00 14.44 O ATOM 1158 CB THR A 73 1.705 22.738 10.457 1.00 53.13 C ATOM 1159 OG1 THR A 73 2.227 24.049 10.486 1.00 44.44 O ATOM 1160 CG2 THR A 73 0.706 22.616 11.617 1.00 15.11 C ATOM 0 H THR A 73 1.652 20.337 11.509 1.00 24.50 H new ATOM 0 HA THR A 73 3.200 21.722 9.357 1.00 72.33 H new ATOM 0 HB THR A 73 1.167 22.568 9.525 1.00 53.13 H new ATOM 0 HG1 THR A 73 1.491 24.693 10.549 1.00 44.44 H new ATOM 0 HG21 THR A 73 0.008 23.452 11.585 1.00 15.11 H new ATOM 0 HG22 THR A 73 0.155 21.680 11.526 1.00 15.11 H new ATOM 0 HG23 THR A 73 1.245 22.629 12.564 1.00 15.11 H new ATOM 1168 N GLN A 74 5.150 21.324 10.807 1.00 40.31 N ATOM 1169 CA GLN A 74 6.430 21.468 11.488 1.00 22.40 C ATOM 1170 C GLN A 74 7.050 22.814 11.107 1.00 42.25 C ATOM 1171 O GLN A 74 6.556 23.512 10.223 1.00 13.42 O ATOM 1172 CB GLN A 74 7.384 20.333 11.072 1.00 71.23 C ATOM 1173 CG GLN A 74 6.808 18.908 11.100 1.00 74.22 C ATOM 1174 CD GLN A 74 7.793 17.889 10.526 1.00 3.11 C ATOM 1175 OE1 GLN A 74 8.940 18.211 10.238 1.00 62.04 O ATOM 1176 NE2 GLN A 74 7.366 16.657 10.313 1.00 33.10 N ATOM 0 H GLN A 74 5.233 20.872 9.896 1.00 40.31 H new ATOM 0 HA GLN A 74 6.270 21.420 12.565 1.00 22.40 H new ATOM 0 HB2 GLN A 74 7.738 20.538 10.062 1.00 71.23 H new ATOM 0 HB3 GLN A 74 8.255 20.362 11.727 1.00 71.23 H new ATOM 0 HG2 GLN A 74 6.559 18.636 12.126 1.00 74.22 H new ATOM 0 HG3 GLN A 74 5.880 18.879 10.529 1.00 74.22 H new ATOM 0 HE21 GLN A 74 6.410 16.400 10.556 1.00 33.10 H new ATOM 0 HE22 GLN A 74 7.993 15.963 9.905 1.00 33.10 H new ATOM 1185 N GLU A 75 8.163 23.161 11.747 1.00 41.44 N ATOM 1186 CA GLU A 75 8.971 24.341 11.417 1.00 32.42 C ATOM 1187 C GLU A 75 10.453 23.961 11.251 1.00 64.23 C ATOM 1188 O GLU A 75 11.280 24.797 10.888 1.00 74.12 O ATOM 1189 CB GLU A 75 8.762 25.395 12.518 1.00 42.52 C ATOM 1190 CG GLU A 75 7.381 26.074 12.506 1.00 74.41 C ATOM 1191 CD GLU A 75 7.213 27.163 11.440 1.00 34.43 C ATOM 1192 OE1 GLU A 75 7.546 26.961 10.240 1.00 35.41 O ATOM 1193 OE2 GLU A 75 6.702 28.251 11.775 1.00 61.45 O ATOM 0 H GLU A 75 8.540 22.622 12.526 1.00 41.44 H new ATOM 0 HA GLU A 75 8.654 24.760 10.462 1.00 32.42 H new ATOM 0 HB2 GLU A 75 8.910 24.921 13.488 1.00 42.52 H new ATOM 0 HB3 GLU A 75 9.530 26.162 12.418 1.00 42.52 H new ATOM 0 HG2 GLU A 75 6.618 25.312 12.351 1.00 74.41 H new ATOM 0 HG3 GLU A 75 7.198 26.513 13.487 1.00 74.41 H new ATOM 1200 N GLU A 76 10.796 22.691 11.484 1.00 42.51 N ATOM 1201 CA GLU A 76 12.142 22.125 11.481 1.00 64.04 C ATOM 1202 C GLU A 76 12.152 20.814 10.668 1.00 31.14 C ATOM 1203 O GLU A 76 12.846 19.862 11.032 1.00 71.44 O ATOM 1204 CB GLU A 76 12.602 21.956 12.947 1.00 41.14 C ATOM 1205 CG GLU A 76 12.971 23.284 13.630 1.00 21.20 C ATOM 1206 CD GLU A 76 14.386 23.746 13.252 1.00 60.12 C ATOM 1207 OE1 GLU A 76 14.565 24.338 12.154 1.00 3.44 O ATOM 1208 OE2 GLU A 76 15.341 23.475 13.998 1.00 33.31 O ATOM 0 H GLU A 76 10.090 21.985 11.694 1.00 42.51 H new ATOM 0 HA GLU A 76 12.857 22.786 10.991 1.00 64.04 H new ATOM 0 HB2 GLU A 76 11.808 21.472 13.516 1.00 41.14 H new ATOM 0 HB3 GLU A 76 13.465 21.290 12.975 1.00 41.14 H new ATOM 0 HG2 GLU A 76 12.250 24.051 13.346 1.00 21.20 H new ATOM 0 HG3 GLU A 76 12.904 23.167 14.712 1.00 21.20 H new ATOM 1215 N GLY A 77 11.387 20.729 9.573 1.00 0.52 N ATOM 1216 CA GLY A 77 11.392 19.566 8.694 1.00 35.30 C ATOM 1217 C GLY A 77 10.573 19.794 7.425 1.00 11.34 C ATOM 1218 O GLY A 77 11.148 19.854 6.335 1.00 42.51 O ATOM 0 H GLY A 77 10.749 21.467 9.276 1.00 0.52 H new ATOM 0 HA2 GLY A 77 12.419 19.324 8.422 1.00 35.30 H new ATOM 0 HA3 GLY A 77 10.993 18.706 9.231 1.00 35.30 H new ATOM 1222 N GLY A 78 9.252 19.922 7.550 1.00 74.32 N ATOM 1223 CA GLY A 78 8.347 20.213 6.441 1.00 75.01 C ATOM 1224 C GLY A 78 6.897 19.943 6.837 1.00 55.13 C ATOM 1225 O GLY A 78 6.620 19.575 7.983 1.00 42.25 O ATOM 0 H GLY A 78 8.772 19.824 8.445 1.00 74.32 H new ATOM 0 HA2 GLY A 78 8.458 21.254 6.139 1.00 75.01 H new ATOM 0 HA3 GLY A 78 8.613 19.601 5.579 1.00 75.01 H new ATOM 1229 N ILE A 79 5.959 20.080 5.897 1.00 11.04 N ATOM 1230 CA ILE A 79 4.541 19.869 6.147 1.00 41.33 C ATOM 1231 C ILE A 79 4.165 18.451 5.732 1.00 23.34 C ATOM 1232 O ILE A 79 4.114 18.174 4.543 1.00 34.52 O ATOM 1233 CB ILE A 79 3.737 20.994 5.455 1.00 54.33 C ATOM 1234 CG1 ILE A 79 4.134 22.377 6.016 1.00 0.43 C ATOM 1235 CG2 ILE A 79 2.214 20.819 5.606 1.00 31.20 C ATOM 1236 CD1 ILE A 79 3.849 23.511 5.034 1.00 44.44 C ATOM 0 H ILE A 79 6.170 20.343 4.934 1.00 11.04 H new ATOM 0 HA ILE A 79 4.294 19.937 7.206 1.00 41.33 H new ATOM 0 HB ILE A 79 3.984 20.931 4.395 1.00 54.33 H new ATOM 0 HG12 ILE A 79 3.591 22.559 6.943 1.00 0.43 H new ATOM 0 HG13 ILE A 79 5.195 22.374 6.264 1.00 0.43 H new ATOM 0 HG21 ILE A 79 1.702 21.638 5.101 1.00 31.20 H new ATOM 0 HG22 ILE A 79 1.911 19.871 5.161 1.00 31.20 H new ATOM 0 HG23 ILE A 79 1.950 20.824 6.664 1.00 31.20 H new ATOM 0 HD11 ILE A 79 4.147 24.461 5.479 1.00 44.44 H new ATOM 0 HD12 ILE A 79 4.413 23.348 4.116 1.00 44.44 H new ATOM 0 HD13 ILE A 79 2.783 23.535 4.806 1.00 44.44 H new ATOM 1248 N TYR A 80 3.960 17.531 6.680 1.00 13.23 N ATOM 1249 CA TYR A 80 3.675 16.124 6.366 1.00 13.30 C ATOM 1250 C TYR A 80 2.176 15.944 6.111 1.00 20.33 C ATOM 1251 O TYR A 80 1.366 16.152 7.018 1.00 61.55 O ATOM 1252 CB TYR A 80 4.191 15.172 7.456 1.00 2.22 C ATOM 1253 CG TYR A 80 4.167 13.714 7.027 1.00 75.25 C ATOM 1254 CD1 TYR A 80 5.074 13.247 6.055 1.00 53.04 C ATOM 1255 CD2 TYR A 80 3.220 12.825 7.574 1.00 61.42 C ATOM 1256 CE1 TYR A 80 5.011 11.913 5.613 1.00 64.12 C ATOM 1257 CE2 TYR A 80 3.147 11.493 7.129 1.00 11.23 C ATOM 1258 CZ TYR A 80 4.039 11.032 6.136 1.00 2.32 C ATOM 1259 OH TYR A 80 3.997 9.739 5.717 1.00 11.32 O ATOM 0 H TYR A 80 3.986 17.736 7.679 1.00 13.23 H new ATOM 0 HA TYR A 80 4.215 15.859 5.457 1.00 13.30 H new ATOM 0 HB2 TYR A 80 5.211 15.451 7.722 1.00 2.22 H new ATOM 0 HB3 TYR A 80 3.584 15.292 8.353 1.00 2.22 H new ATOM 0 HD1 TYR A 80 5.819 13.915 5.648 1.00 53.04 H new ATOM 0 HD2 TYR A 80 2.544 13.170 8.342 1.00 61.42 H new ATOM 0 HE1 TYR A 80 5.710 11.560 4.869 1.00 64.12 H new ATOM 0 HE2 TYR A 80 2.410 10.823 7.546 1.00 11.23 H new ATOM 0 HH TYR A 80 3.270 9.270 6.177 1.00 11.32 H new ATOM 1269 N VAL A 81 1.769 15.558 4.903 1.00 11.34 N ATOM 1270 CA VAL A 81 0.385 15.540 4.432 1.00 62.42 C ATOM 1271 C VAL A 81 0.011 14.110 4.011 1.00 32.52 C ATOM 1272 O VAL A 81 0.776 13.438 3.326 1.00 60.14 O ATOM 1273 CB VAL A 81 0.232 16.561 3.279 1.00 2.03 C ATOM 1274 CG1 VAL A 81 -1.215 16.664 2.793 1.00 21.30 C ATOM 1275 CG2 VAL A 81 0.646 17.976 3.716 1.00 41.25 C ATOM 0 H VAL A 81 2.426 15.234 4.193 1.00 11.34 H new ATOM 0 HA VAL A 81 -0.303 15.834 5.225 1.00 62.42 H new ATOM 0 HB VAL A 81 0.879 16.194 2.482 1.00 2.03 H new ATOM 0 HG11 VAL A 81 -1.276 17.392 1.984 1.00 21.30 H new ATOM 0 HG12 VAL A 81 -1.548 15.691 2.432 1.00 21.30 H new ATOM 0 HG13 VAL A 81 -1.854 16.983 3.617 1.00 21.30 H new ATOM 0 HG21 VAL A 81 0.525 18.665 2.880 1.00 41.25 H new ATOM 0 HG22 VAL A 81 0.018 18.299 4.546 1.00 41.25 H new ATOM 0 HG23 VAL A 81 1.689 17.969 4.032 1.00 41.25 H new ATOM 1285 N SER A 82 -1.180 13.655 4.402 1.00 3.30 N ATOM 1286 CA SER A 82 -1.788 12.378 4.047 1.00 14.10 C ATOM 1287 C SER A 82 -3.188 12.756 3.570 1.00 74.45 C ATOM 1288 O SER A 82 -4.063 12.973 4.407 1.00 74.34 O ATOM 1289 CB SER A 82 -1.791 11.467 5.298 1.00 0.43 C ATOM 1290 OG SER A 82 -2.544 10.271 5.149 1.00 40.12 O ATOM 0 H SER A 82 -1.782 14.206 5.014 1.00 3.30 H new ATOM 0 HA SER A 82 -1.263 11.818 3.273 1.00 14.10 H new ATOM 0 HB2 SER A 82 -0.762 11.206 5.545 1.00 0.43 H new ATOM 0 HB3 SER A 82 -2.189 12.030 6.142 1.00 0.43 H new ATOM 0 HG SER A 82 -3.165 10.180 5.901 1.00 40.12 H new ATOM 1296 N LYS A 83 -3.410 12.990 2.268 1.00 44.34 N ATOM 1297 CA LYS A 83 -4.714 13.415 1.740 1.00 35.21 C ATOM 1298 C LYS A 83 -4.840 12.964 0.290 1.00 43.01 C ATOM 1299 O LYS A 83 -3.844 12.914 -0.428 1.00 64.41 O ATOM 1300 CB LYS A 83 -4.896 14.946 1.794 1.00 11.42 C ATOM 1301 CG LYS A 83 -4.732 15.598 3.174 1.00 54.11 C ATOM 1302 CD LYS A 83 -5.066 17.097 3.201 1.00 2.04 C ATOM 1303 CE LYS A 83 -4.358 17.902 2.104 1.00 41.11 C ATOM 1304 NZ LYS A 83 -4.346 19.347 2.403 1.00 31.11 N ATOM 0 H LYS A 83 -2.690 12.890 1.552 1.00 44.34 H new ATOM 0 HA LYS A 83 -5.483 12.959 2.364 1.00 35.21 H new ATOM 0 HB2 LYS A 83 -4.178 15.401 1.112 1.00 11.42 H new ATOM 0 HB3 LYS A 83 -5.890 15.187 1.417 1.00 11.42 H new ATOM 0 HG2 LYS A 83 -5.373 15.081 3.887 1.00 54.11 H new ATOM 0 HG3 LYS A 83 -3.704 15.459 3.510 1.00 54.11 H new ATOM 0 HD2 LYS A 83 -6.143 17.223 3.095 1.00 2.04 H new ATOM 0 HD3 LYS A 83 -4.792 17.505 4.174 1.00 2.04 H new ATOM 0 HE2 LYS A 83 -3.334 17.545 1.996 1.00 41.11 H new ATOM 0 HE3 LYS A 83 -4.857 17.733 1.150 1.00 41.11 H new ATOM 0 HZ1 LYS A 83 -3.859 19.856 1.638 1.00 31.11 H new ATOM 0 HZ2 LYS A 83 -5.323 19.693 2.481 1.00 31.11 H new ATOM 0 HZ3 LYS A 83 -3.847 19.512 3.301 1.00 31.11 H new ATOM 1318 N PHE A 84 -6.068 12.714 -0.161 1.00 35.41 N ATOM 1319 CA PHE A 84 -6.347 12.144 -1.477 1.00 4.34 C ATOM 1320 C PHE A 84 -5.911 13.083 -2.612 1.00 4.20 C ATOM 1321 O PHE A 84 -5.905 14.307 -2.432 1.00 41.23 O ATOM 1322 CB PHE A 84 -7.842 11.810 -1.567 1.00 53.41 C ATOM 1323 CG PHE A 84 -8.364 11.033 -0.369 1.00 52.25 C ATOM 1324 CD1 PHE A 84 -7.932 9.709 -0.163 1.00 71.15 C ATOM 1325 CD2 PHE A 84 -9.209 11.649 0.579 1.00 73.23 C ATOM 1326 CE1 PHE A 84 -8.367 8.985 0.961 1.00 23.51 C ATOM 1327 CE2 PHE A 84 -9.618 10.931 1.716 1.00 35.41 C ATOM 1328 CZ PHE A 84 -9.204 9.598 1.908 1.00 35.53 C ATOM 0 H PHE A 84 -6.908 12.904 0.385 1.00 35.41 H new ATOM 0 HA PHE A 84 -5.765 11.230 -1.597 1.00 4.34 H new ATOM 0 HB2 PHE A 84 -8.408 12.737 -1.663 1.00 53.41 H new ATOM 0 HB3 PHE A 84 -8.023 11.231 -2.472 1.00 53.41 H new ATOM 0 HD1 PHE A 84 -7.262 9.247 -0.873 1.00 71.15 H new ATOM 0 HD2 PHE A 84 -9.540 12.667 0.432 1.00 73.23 H new ATOM 0 HE1 PHE A 84 -8.058 7.959 1.096 1.00 23.51 H new ATOM 0 HE2 PHE A 84 -10.255 11.405 2.448 1.00 35.41 H new ATOM 0 HZ PHE A 84 -9.529 9.050 2.780 1.00 35.53 H new ATOM 1338 N THR A 85 -5.562 12.519 -3.769 1.00 64.21 N ATOM 1339 CA THR A 85 -5.027 13.233 -4.928 1.00 40.14 C ATOM 1340 C THR A 85 -5.913 13.066 -6.180 1.00 62.22 C ATOM 1341 O THR A 85 -5.807 13.873 -7.107 1.00 62.25 O ATOM 1342 CB THR A 85 -3.568 12.775 -5.176 1.00 4.01 C ATOM 1343 OG1 THR A 85 -3.489 11.370 -5.319 1.00 40.04 O ATOM 1344 CG2 THR A 85 -2.645 13.126 -4.001 1.00 73.12 C ATOM 0 H THR A 85 -5.647 11.515 -3.930 1.00 64.21 H new ATOM 0 HA THR A 85 -5.029 14.302 -4.713 1.00 40.14 H new ATOM 0 HB THR A 85 -3.255 13.291 -6.084 1.00 4.01 H new ATOM 0 HG1 THR A 85 -2.566 11.114 -5.528 1.00 40.04 H new ATOM 0 HG21 THR A 85 -1.633 12.786 -4.219 1.00 73.12 H new ATOM 0 HG22 THR A 85 -2.641 14.206 -3.852 1.00 73.12 H new ATOM 0 HG23 THR A 85 -3.005 12.636 -3.096 1.00 73.12 H new ATOM 1352 N LEU A 86 -6.818 12.075 -6.220 1.00 44.13 N ATOM 1353 CA LEU A 86 -7.794 11.887 -7.293 1.00 51.03 C ATOM 1354 C LEU A 86 -9.038 11.218 -6.706 1.00 40.04 C ATOM 1355 O LEU A 86 -8.927 10.360 -5.821 1.00 60.24 O ATOM 1356 CB LEU A 86 -7.123 11.107 -8.445 1.00 21.30 C ATOM 1357 CG LEU A 86 -7.991 10.463 -9.542 1.00 41.45 C ATOM 1358 CD1 LEU A 86 -8.584 9.123 -9.089 1.00 43.15 C ATOM 1359 CD2 LEU A 86 -8.941 11.464 -10.194 1.00 2.04 C ATOM 0 H LEU A 86 -6.889 11.368 -5.488 1.00 44.13 H new ATOM 0 HA LEU A 86 -8.128 12.831 -7.724 1.00 51.03 H new ATOM 0 HB2 LEU A 86 -6.429 11.788 -8.938 1.00 21.30 H new ATOM 0 HB3 LEU A 86 -6.526 10.314 -7.996 1.00 21.30 H new ATOM 0 HG LEU A 86 -7.351 10.175 -10.376 1.00 41.45 H new ATOM 0 HD11 LEU A 86 -9.189 8.703 -9.892 1.00 43.15 H new ATOM 0 HD12 LEU A 86 -7.777 8.433 -8.843 1.00 43.15 H new ATOM 0 HD13 LEU A 86 -9.208 9.280 -8.209 1.00 43.15 H new ATOM 0 HD21 LEU A 86 -9.530 10.960 -10.960 1.00 2.04 H new ATOM 0 HD22 LEU A 86 -9.607 11.879 -9.438 1.00 2.04 H new ATOM 0 HD23 LEU A 86 -8.365 12.269 -10.650 1.00 2.04 H new ATOM 1371 N ASN A 87 -10.212 11.590 -7.229 1.00 75.45 N ATOM 1372 CA ASN A 87 -11.550 11.187 -6.791 1.00 0.44 C ATOM 1373 C ASN A 87 -12.333 10.698 -8.018 1.00 21.30 C ATOM 1374 O ASN A 87 -13.079 11.461 -8.635 1.00 2.04 O ATOM 1375 CB ASN A 87 -12.311 12.355 -6.117 1.00 22.13 C ATOM 1376 CG ASN A 87 -11.591 13.092 -4.999 1.00 13.32 C ATOM 1377 OD1 ASN A 87 -11.632 14.320 -4.970 1.00 74.34 O ATOM 1378 ND2 ASN A 87 -10.948 12.410 -4.067 1.00 35.54 N ATOM 0 H ASN A 87 -10.253 12.226 -8.026 1.00 75.45 H new ATOM 0 HA ASN A 87 -11.452 10.393 -6.051 1.00 0.44 H new ATOM 0 HB2 ASN A 87 -12.571 13.080 -6.888 1.00 22.13 H new ATOM 0 HB3 ASN A 87 -13.247 11.964 -5.718 1.00 22.13 H new ATOM 0 HD21 ASN A 87 -10.476 12.903 -3.309 1.00 35.54 H new ATOM 0 HD22 ASN A 87 -10.924 11.391 -4.106 1.00 35.54 H new ATOM 1385 N GLU A 88 -12.137 9.444 -8.413 1.00 2.21 N ATOM 1386 CA GLU A 88 -12.773 8.767 -9.545 1.00 0.31 C ATOM 1387 C GLU A 88 -13.727 7.698 -8.997 1.00 41.02 C ATOM 1388 O GLU A 88 -13.711 7.407 -7.797 1.00 33.53 O ATOM 1389 CB GLU A 88 -11.677 8.152 -10.425 1.00 34.53 C ATOM 1390 CG GLU A 88 -11.071 9.128 -11.438 1.00 41.24 C ATOM 1391 CD GLU A 88 -11.692 9.031 -12.828 1.00 11.21 C ATOM 1392 OE1 GLU A 88 -12.899 9.290 -12.998 1.00 53.35 O ATOM 1393 OE2 GLU A 88 -10.942 8.631 -13.758 1.00 62.51 O ATOM 0 H GLU A 88 -11.488 8.831 -7.920 1.00 2.21 H new ATOM 0 HA GLU A 88 -13.350 9.463 -10.155 1.00 0.31 H new ATOM 0 HB2 GLU A 88 -10.883 7.770 -9.784 1.00 34.53 H new ATOM 0 HB3 GLU A 88 -12.092 7.299 -10.961 1.00 34.53 H new ATOM 0 HG2 GLU A 88 -11.191 10.145 -11.066 1.00 41.24 H new ATOM 0 HG3 GLU A 88 -10.000 8.941 -11.514 1.00 41.24 H new ATOM 1400 N PRO A 89 -14.620 7.143 -9.832 1.00 64.25 N ATOM 1401 CA PRO A 89 -15.611 6.181 -9.376 1.00 64.23 C ATOM 1402 C PRO A 89 -14.995 4.804 -9.157 1.00 15.02 C ATOM 1403 O PRO A 89 -15.292 4.122 -8.177 1.00 60.12 O ATOM 1404 CB PRO A 89 -16.655 6.144 -10.488 1.00 31.40 C ATOM 1405 CG PRO A 89 -15.895 6.525 -11.751 1.00 0.21 C ATOM 1406 CD PRO A 89 -14.809 7.460 -11.243 1.00 74.54 C ATOM 0 HA PRO A 89 -16.040 6.466 -8.415 1.00 64.23 H new ATOM 0 HB2 PRO A 89 -17.101 5.153 -10.579 1.00 31.40 H new ATOM 0 HB3 PRO A 89 -17.468 6.843 -10.290 1.00 31.40 H new ATOM 0 HG2 PRO A 89 -15.473 5.650 -12.245 1.00 0.21 H new ATOM 0 HG3 PRO A 89 -16.543 7.018 -12.476 1.00 0.21 H new ATOM 0 HD2 PRO A 89 -13.883 7.319 -11.800 1.00 74.54 H new ATOM 0 HD3 PRO A 89 -15.102 8.502 -11.371 1.00 74.54 H new ATOM 1414 N LYS A 90 -14.175 4.375 -10.111 1.00 62.41 N ATOM 1415 CA LYS A 90 -13.574 3.052 -10.203 1.00 73.13 C ATOM 1416 C LYS A 90 -12.096 3.097 -9.765 1.00 2.01 C ATOM 1417 O LYS A 90 -11.417 2.081 -9.883 1.00 64.21 O ATOM 1418 CB LYS A 90 -13.717 2.557 -11.664 1.00 75.54 C ATOM 1419 CG LYS A 90 -14.924 1.668 -12.027 1.00 4.31 C ATOM 1420 CD LYS A 90 -16.304 2.339 -12.106 1.00 62.54 C ATOM 1421 CE LYS A 90 -17.114 2.239 -10.805 1.00 52.33 C ATOM 1422 NZ LYS A 90 -18.566 2.386 -11.063 1.00 15.01 N ATOM 0 H LYS A 90 -13.897 4.978 -10.885 1.00 62.41 H new ATOM 0 HA LYS A 90 -14.083 2.358 -9.534 1.00 73.13 H new ATOM 0 HB2 LYS A 90 -13.746 3.435 -12.310 1.00 75.54 H new ATOM 0 HB3 LYS A 90 -12.812 2.005 -11.917 1.00 75.54 H new ATOM 0 HG2 LYS A 90 -14.721 1.203 -12.992 1.00 4.31 H new ATOM 0 HG3 LYS A 90 -14.983 0.865 -11.292 1.00 4.31 H new ATOM 0 HD2 LYS A 90 -16.173 3.390 -12.362 1.00 62.54 H new ATOM 0 HD3 LYS A 90 -16.874 1.883 -12.915 1.00 62.54 H new ATOM 0 HE2 LYS A 90 -16.923 1.278 -10.328 1.00 52.33 H new ATOM 0 HE3 LYS A 90 -16.786 3.011 -10.109 1.00 52.33 H new ATOM 0 HZ1 LYS A 90 -19.087 2.314 -10.166 1.00 15.01 H new ATOM 0 HZ2 LYS A 90 -18.749 3.313 -11.497 1.00 15.01 H new ATOM 0 HZ3 LYS A 90 -18.882 1.634 -11.708 1.00 15.01 H new ATOM 1436 N HIS A 91 -11.565 4.226 -9.274 1.00 72.45 N ATOM 1437 CA HIS A 91 -10.136 4.432 -9.051 1.00 62.15 C ATOM 1438 C HIS A 91 -9.979 5.391 -7.874 1.00 31.33 C ATOM 1439 O HIS A 91 -10.721 6.371 -7.791 1.00 75.32 O ATOM 1440 CB HIS A 91 -9.511 5.039 -10.312 1.00 1.21 C ATOM 1441 CG HIS A 91 -8.014 5.127 -10.315 1.00 14.34 C ATOM 1442 ND1 HIS A 91 -7.139 4.174 -9.870 1.00 71.53 N flip ATOM 1443 CD2 HIS A 91 -7.288 6.121 -10.925 1.00 63.21 C flip ATOM 1444 CE1 HIS A 91 -5.854 4.594 -10.213 1.00 74.53 C flip ATOM 1445 NE2 HIS A 91 -5.996 5.777 -10.838 1.00 64.32 N flip ATOM 0 H HIS A 91 -12.132 5.034 -9.017 1.00 72.45 H new ATOM 0 HA HIS A 91 -9.636 3.488 -8.833 1.00 62.15 H new ATOM 0 HB2 HIS A 91 -9.824 4.447 -11.172 1.00 1.21 H new ATOM 0 HB3 HIS A 91 -9.916 6.041 -10.450 1.00 1.21 H new ATOM 0 HD2 HIS A 91 -7.684 7.013 -11.388 1.00 63.21 H new ATOM 0 HE1 HIS A 91 -4.929 4.073 -10.016 1.00 74.53 H new ATOM 0 HE2 HIS A 91 -5.223 6.337 -11.198 1.00 64.32 H new ATOM 1453 N LYS A 92 -9.083 5.100 -6.929 1.00 53.23 N ATOM 1454 CA LYS A 92 -9.019 5.805 -5.649 1.00 71.34 C ATOM 1455 C LYS A 92 -7.572 5.797 -5.163 1.00 20.30 C ATOM 1456 O LYS A 92 -7.058 4.740 -4.785 1.00 20.10 O ATOM 1457 CB LYS A 92 -9.959 5.095 -4.648 1.00 34.44 C ATOM 1458 CG LYS A 92 -11.471 5.220 -4.912 1.00 0.24 C ATOM 1459 CD LYS A 92 -12.041 6.638 -4.772 1.00 64.52 C ATOM 1460 CE LYS A 92 -12.364 6.976 -3.311 1.00 40.45 C ATOM 1461 NZ LYS A 92 -12.844 8.365 -3.179 1.00 20.34 N ATOM 0 H LYS A 92 -8.381 4.367 -7.031 1.00 53.23 H new ATOM 0 HA LYS A 92 -9.343 6.841 -5.748 1.00 71.34 H new ATOM 0 HB2 LYS A 92 -9.703 4.036 -4.633 1.00 34.44 H new ATOM 0 HB3 LYS A 92 -9.754 5.487 -3.652 1.00 34.44 H new ATOM 0 HG2 LYS A 92 -11.679 4.859 -5.919 1.00 0.24 H new ATOM 0 HG3 LYS A 92 -12.000 4.563 -4.222 1.00 0.24 H new ATOM 0 HD2 LYS A 92 -11.323 7.359 -5.163 1.00 64.52 H new ATOM 0 HD3 LYS A 92 -12.944 6.729 -5.375 1.00 64.52 H new ATOM 0 HE2 LYS A 92 -13.122 6.289 -2.935 1.00 40.45 H new ATOM 0 HE3 LYS A 92 -11.474 6.836 -2.697 1.00 40.45 H new ATOM 0 HZ1 LYS A 92 -13.055 8.566 -2.181 1.00 20.34 H new ATOM 0 HZ2 LYS A 92 -12.110 9.020 -3.516 1.00 20.34 H new ATOM 0 HZ3 LYS A 92 -13.706 8.490 -3.747 1.00 20.34 H new ATOM 1475 N ILE A 93 -6.914 6.956 -5.162 1.00 20.12 N ATOM 1476 CA ILE A 93 -5.515 7.103 -4.745 1.00 2.32 C ATOM 1477 C ILE A 93 -5.472 7.504 -3.271 1.00 15.21 C ATOM 1478 O ILE A 93 -6.364 8.221 -2.815 1.00 43.05 O ATOM 1479 CB ILE A 93 -4.836 8.219 -5.570 1.00 33.20 C ATOM 1480 CG1 ILE A 93 -5.235 8.242 -7.048 1.00 53.41 C ATOM 1481 CG2 ILE A 93 -3.310 8.188 -5.457 1.00 60.33 C ATOM 1482 CD1 ILE A 93 -5.022 6.965 -7.855 1.00 31.24 C ATOM 0 H ILE A 93 -7.342 7.834 -5.455 1.00 20.12 H new ATOM 0 HA ILE A 93 -4.996 6.158 -4.901 1.00 2.32 H new ATOM 0 HB ILE A 93 -5.211 9.138 -5.119 1.00 33.20 H new ATOM 0 HG12 ILE A 93 -6.291 8.505 -7.107 1.00 53.41 H new ATOM 0 HG13 ILE A 93 -4.679 9.044 -7.534 1.00 53.41 H new ATOM 0 HG21 ILE A 93 -2.884 8.993 -6.056 1.00 60.33 H new ATOM 0 HG22 ILE A 93 -3.020 8.319 -4.415 1.00 60.33 H new ATOM 0 HG23 ILE A 93 -2.938 7.230 -5.820 1.00 60.33 H new ATOM 0 HD11 ILE A 93 -5.348 7.125 -8.883 1.00 31.24 H new ATOM 0 HD12 ILE A 93 -3.964 6.701 -7.847 1.00 31.24 H new ATOM 0 HD13 ILE A 93 -5.601 6.154 -7.413 1.00 31.24 H new ATOM 1494 N PHE A 94 -4.395 7.176 -2.557 1.00 4.32 N ATOM 1495 CA PHE A 94 -4.106 7.600 -1.192 1.00 74.33 C ATOM 1496 C PHE A 94 -2.585 7.756 -1.038 1.00 23.10 C ATOM 1497 O PHE A 94 -1.880 6.766 -0.842 1.00 21.22 O ATOM 1498 CB PHE A 94 -4.722 6.543 -0.254 1.00 75.11 C ATOM 1499 CG PHE A 94 -4.664 6.813 1.231 1.00 2.41 C ATOM 1500 CD1 PHE A 94 -5.198 8.008 1.747 1.00 55.04 C ATOM 1501 CD2 PHE A 94 -4.132 5.845 2.106 1.00 60.32 C ATOM 1502 CE1 PHE A 94 -5.208 8.232 3.131 1.00 43.33 C ATOM 1503 CE2 PHE A 94 -4.140 6.073 3.492 1.00 23.11 C ATOM 1504 CZ PHE A 94 -4.682 7.268 4.001 1.00 32.34 C ATOM 0 H PHE A 94 -3.664 6.576 -2.938 1.00 4.32 H new ATOM 0 HA PHE A 94 -4.540 8.568 -0.940 1.00 74.33 H new ATOM 0 HB2 PHE A 94 -5.768 6.414 -0.532 1.00 75.11 H new ATOM 0 HB3 PHE A 94 -4.223 5.593 -0.443 1.00 75.11 H new ATOM 0 HD1 PHE A 94 -5.600 8.753 1.077 1.00 55.04 H new ATOM 0 HD2 PHE A 94 -3.719 4.929 1.711 1.00 60.32 H new ATOM 0 HE1 PHE A 94 -5.621 9.148 3.527 1.00 43.33 H new ATOM 0 HE2 PHE A 94 -3.732 5.334 4.165 1.00 23.11 H new ATOM 0 HZ PHE A 94 -4.692 7.443 5.067 1.00 32.34 H new ATOM 1514 N GLU A 95 -2.068 8.978 -1.204 1.00 4.30 N ATOM 1515 CA GLU A 95 -0.642 9.310 -1.094 1.00 23.52 C ATOM 1516 C GLU A 95 -0.375 10.085 0.202 1.00 60.55 C ATOM 1517 O GLU A 95 -1.119 11.021 0.520 1.00 1.03 O ATOM 1518 CB GLU A 95 -0.166 10.171 -2.284 1.00 55.04 C ATOM 1519 CG GLU A 95 -0.549 9.606 -3.661 1.00 43.05 C ATOM 1520 CD GLU A 95 0.035 10.368 -4.859 1.00 73.24 C ATOM 1521 OE1 GLU A 95 1.163 10.909 -4.751 1.00 71.15 O ATOM 1522 OE2 GLU A 95 -0.616 10.382 -5.929 1.00 24.13 O ATOM 0 H GLU A 95 -2.647 9.788 -1.425 1.00 4.30 H new ATOM 0 HA GLU A 95 -0.092 8.369 -1.093 1.00 23.52 H new ATOM 0 HB2 GLU A 95 -0.585 11.172 -2.185 1.00 55.04 H new ATOM 0 HB3 GLU A 95 0.918 10.273 -2.234 1.00 55.04 H new ATOM 0 HG2 GLU A 95 -0.222 8.568 -3.715 1.00 43.05 H new ATOM 0 HG3 GLU A 95 -1.636 9.602 -3.746 1.00 43.05 H new ATOM 1529 N ALA A 96 0.717 9.744 0.897 1.00 4.00 N ATOM 1530 CA ALA A 96 1.208 10.462 2.063 1.00 73.15 C ATOM 1531 C ALA A 96 2.715 10.671 1.951 1.00 32.33 C ATOM 1532 O ALA A 96 3.464 9.771 1.560 1.00 51.21 O ATOM 1533 CB ALA A 96 0.860 9.733 3.361 1.00 12.01 C ATOM 0 H ALA A 96 1.293 8.939 0.652 1.00 4.00 H new ATOM 0 HA ALA A 96 0.715 11.434 2.093 1.00 73.15 H new ATOM 0 HB1 ALA A 96 1.243 10.299 4.210 1.00 12.01 H new ATOM 0 HB2 ALA A 96 -0.223 9.639 3.446 1.00 12.01 H new ATOM 0 HB3 ALA A 96 1.311 8.741 3.353 1.00 12.01 H new ATOM 1539 N GLY A 97 3.147 11.877 2.299 1.00 60.33 N ATOM 1540 CA GLY A 97 4.496 12.388 2.126 1.00 21.23 C ATOM 1541 C GLY A 97 4.548 13.808 2.661 1.00 21.43 C ATOM 1542 O GLY A 97 3.559 14.305 3.198 1.00 51.34 O ATOM 0 H GLY A 97 2.528 12.561 2.734 1.00 60.33 H new ATOM 0 HA2 GLY A 97 5.210 11.758 2.656 1.00 21.23 H new ATOM 0 HA3 GLY A 97 4.775 12.370 1.073 1.00 21.23 H new ATOM 1546 N TYR A 98 5.665 14.501 2.492 1.00 14.31 N ATOM 1547 CA TYR A 98 5.693 15.934 2.754 1.00 60.31 C ATOM 1548 C TYR A 98 4.970 16.677 1.630 1.00 14.32 C ATOM 1549 O TYR A 98 4.740 16.113 0.555 1.00 24.10 O ATOM 1550 CB TYR A 98 7.139 16.374 2.956 1.00 61.41 C ATOM 1551 CG TYR A 98 7.640 16.040 4.343 1.00 0.12 C ATOM 1552 CD1 TYR A 98 7.234 16.851 5.411 1.00 71.53 C ATOM 1553 CD2 TYR A 98 8.425 14.899 4.591 1.00 1.51 C ATOM 1554 CE1 TYR A 98 7.578 16.532 6.731 1.00 34.23 C ATOM 1555 CE2 TYR A 98 8.794 14.574 5.910 1.00 33.01 C ATOM 1556 CZ TYR A 98 8.367 15.386 6.988 1.00 15.21 C ATOM 1557 OH TYR A 98 8.684 15.067 8.271 1.00 0.23 O ATOM 0 H TYR A 98 6.551 14.103 2.180 1.00 14.31 H new ATOM 0 HA TYR A 98 5.158 16.179 3.671 1.00 60.31 H new ATOM 0 HB2 TYR A 98 7.773 15.889 2.214 1.00 61.41 H new ATOM 0 HB3 TYR A 98 7.218 17.448 2.790 1.00 61.41 H new ATOM 0 HD1 TYR A 98 6.647 17.736 5.214 1.00 71.53 H new ATOM 0 HD2 TYR A 98 8.744 14.273 3.771 1.00 1.51 H new ATOM 0 HE1 TYR A 98 7.243 17.156 7.546 1.00 34.23 H new ATOM 0 HE2 TYR A 98 9.404 13.703 6.100 1.00 33.01 H new ATOM 0 HH TYR A 98 9.229 14.253 8.280 1.00 0.23 H new ATOM 1567 N GLU A 99 4.590 17.934 1.880 1.00 1.13 N ATOM 1568 CA GLU A 99 3.825 18.747 0.936 1.00 12.42 C ATOM 1569 C GLU A 99 4.556 18.811 -0.408 1.00 32.50 C ATOM 1570 O GLU A 99 3.952 18.625 -1.469 1.00 34.24 O ATOM 1571 CB GLU A 99 3.595 20.160 1.515 1.00 44.25 C ATOM 1572 CG GLU A 99 2.590 20.930 0.647 1.00 0.42 C ATOM 1573 CD GLU A 99 2.477 22.444 0.883 1.00 71.15 C ATOM 1574 OE1 GLU A 99 3.322 23.096 1.534 1.00 15.14 O ATOM 1575 OE2 GLU A 99 1.502 23.028 0.359 1.00 13.40 O ATOM 0 H GLU A 99 4.808 18.418 2.751 1.00 1.13 H new ATOM 0 HA GLU A 99 2.850 18.288 0.772 1.00 12.42 H new ATOM 0 HB2 GLU A 99 3.223 20.086 2.537 1.00 44.25 H new ATOM 0 HB3 GLU A 99 4.540 20.702 1.558 1.00 44.25 H new ATOM 0 HG2 GLU A 99 2.853 20.769 -0.398 1.00 0.42 H new ATOM 0 HG3 GLU A 99 1.605 20.489 0.799 1.00 0.42 H new ATOM 1582 N GLU A 100 5.864 19.045 -0.339 1.00 64.12 N ATOM 1583 CA GLU A 100 6.762 19.216 -1.463 1.00 52.22 C ATOM 1584 C GLU A 100 8.044 18.455 -1.124 1.00 23.43 C ATOM 1585 O GLU A 100 9.096 19.054 -0.900 1.00 43.43 O ATOM 1586 CB GLU A 100 6.998 20.720 -1.708 1.00 35.40 C ATOM 1587 CG GLU A 100 5.726 21.458 -2.152 1.00 12.12 C ATOM 1588 CD GLU A 100 6.033 22.905 -2.533 1.00 73.24 C ATOM 1589 OE1 GLU A 100 6.593 23.131 -3.628 1.00 0.04 O ATOM 1590 OE2 GLU A 100 5.693 23.837 -1.757 1.00 51.24 O ATOM 0 H GLU A 100 6.346 19.124 0.556 1.00 64.12 H new ATOM 0 HA GLU A 100 6.351 18.818 -2.391 1.00 52.22 H new ATOM 0 HB2 GLU A 100 7.377 21.177 -0.794 1.00 35.40 H new ATOM 0 HB3 GLU A 100 7.768 20.843 -2.469 1.00 35.40 H new ATOM 0 HG2 GLU A 100 5.281 20.942 -3.002 1.00 12.12 H new ATOM 0 HG3 GLU A 100 4.991 21.439 -1.347 1.00 12.12 H new ATOM 1597 N SER A 101 7.959 17.128 -1.041 1.00 74.43 N ATOM 1598 CA SER A 101 9.102 16.227 -0.930 1.00 31.30 C ATOM 1599 C SER A 101 8.683 14.865 -1.496 1.00 60.41 C ATOM 1600 O SER A 101 7.800 14.817 -2.353 1.00 54.44 O ATOM 1601 CB SER A 101 9.592 16.169 0.523 1.00 2.21 C ATOM 1602 OG SER A 101 10.994 16.247 0.606 1.00 4.54 O ATOM 0 H SER A 101 7.065 16.637 -1.050 1.00 74.43 H new ATOM 0 HA SER A 101 9.953 16.584 -1.510 1.00 31.30 H new ATOM 0 HB2 SER A 101 9.148 16.988 1.089 1.00 2.21 H new ATOM 0 HB3 SER A 101 9.252 15.242 0.984 1.00 2.21 H new ATOM 0 HG SER A 101 11.269 16.209 1.546 1.00 4.54 H new ATOM 1608 N GLU A 102 9.351 13.775 -1.113 1.00 62.41 N ATOM 1609 CA GLU A 102 8.893 12.425 -1.449 1.00 63.15 C ATOM 1610 C GLU A 102 7.604 12.032 -0.707 1.00 71.13 C ATOM 1611 O GLU A 102 7.115 12.736 0.186 1.00 53.03 O ATOM 1612 CB GLU A 102 10.023 11.389 -1.353 1.00 33.23 C ATOM 1613 CG GLU A 102 10.487 11.252 0.086 1.00 55.22 C ATOM 1614 CD GLU A 102 11.605 12.225 0.456 1.00 23.00 C ATOM 1615 OE1 GLU A 102 12.604 12.271 -0.287 1.00 14.30 O ATOM 1616 OE2 GLU A 102 11.460 12.956 1.466 1.00 72.21 O ATOM 0 H GLU A 102 10.213 13.801 -0.569 1.00 62.41 H new ATOM 0 HA GLU A 102 8.607 12.436 -2.501 1.00 63.15 H new ATOM 0 HB2 GLU A 102 9.675 10.425 -1.724 1.00 33.23 H new ATOM 0 HB3 GLU A 102 10.858 11.691 -1.985 1.00 33.23 H new ATOM 0 HG2 GLU A 102 9.639 11.414 0.751 1.00 55.22 H new ATOM 0 HG3 GLU A 102 10.833 10.232 0.253 1.00 55.22 H new ATOM 1623 N VAL A 103 7.087 10.864 -1.084 1.00 75.21 N ATOM 1624 CA VAL A 103 6.106 10.093 -0.349 1.00 63.11 C ATOM 1625 C VAL A 103 6.818 8.997 0.435 1.00 11.23 C ATOM 1626 O VAL A 103 7.745 8.347 -0.059 1.00 14.24 O ATOM 1627 CB VAL A 103 5.046 9.499 -1.298 1.00 51.45 C ATOM 1628 CG1 VAL A 103 4.080 10.568 -1.797 1.00 43.04 C ATOM 1629 CG2 VAL A 103 5.647 8.795 -2.519 1.00 3.41 C ATOM 0 H VAL A 103 7.360 10.413 -1.957 1.00 75.21 H new ATOM 0 HA VAL A 103 5.583 10.748 0.348 1.00 63.11 H new ATOM 0 HB VAL A 103 4.519 8.758 -0.697 1.00 51.45 H new ATOM 0 HG11 VAL A 103 3.347 10.113 -2.463 1.00 43.04 H new ATOM 0 HG12 VAL A 103 3.567 11.020 -0.948 1.00 43.04 H new ATOM 0 HG13 VAL A 103 4.634 11.336 -2.337 1.00 43.04 H new ATOM 0 HG21 VAL A 103 4.845 8.401 -3.143 1.00 3.41 H new ATOM 0 HG22 VAL A 103 6.239 9.507 -3.095 1.00 3.41 H new ATOM 0 HG23 VAL A 103 6.286 7.976 -2.189 1.00 3.41 H new ATOM 1639 N ASP A 104 6.317 8.725 1.634 1.00 35.11 N ATOM 1640 CA ASP A 104 6.597 7.487 2.351 1.00 40.35 C ATOM 1641 C ASP A 104 5.689 6.400 1.782 1.00 54.24 C ATOM 1642 O ASP A 104 6.132 5.274 1.560 1.00 63.43 O ATOM 1643 CB ASP A 104 6.373 7.672 3.867 1.00 62.43 C ATOM 1644 CG ASP A 104 7.678 7.681 4.681 1.00 61.24 C ATOM 1645 OD1 ASP A 104 8.546 8.546 4.483 1.00 75.25 O ATOM 1646 OD2 ASP A 104 7.797 6.822 5.603 1.00 24.31 O ATOM 0 H ASP A 104 5.701 9.362 2.139 1.00 35.11 H new ATOM 0 HA ASP A 104 7.640 7.199 2.219 1.00 40.35 H new ATOM 0 HB2 ASP A 104 5.841 8.608 4.037 1.00 62.43 H new ATOM 0 HB3 ASP A 104 5.731 6.870 4.232 1.00 62.43 H new ATOM 1651 N LEU A 105 4.431 6.736 1.483 1.00 60.45 N ATOM 1652 CA LEU A 105 3.337 5.792 1.296 1.00 64.24 C ATOM 1653 C LEU A 105 2.535 6.229 0.075 1.00 3.40 C ATOM 1654 O LEU A 105 2.113 7.383 -0.019 1.00 74.42 O ATOM 1655 CB LEU A 105 2.509 5.756 2.605 1.00 44.02 C ATOM 1656 CG LEU A 105 1.188 4.949 2.601 1.00 4.32 C ATOM 1657 CD1 LEU A 105 0.048 5.696 1.898 1.00 72.12 C ATOM 1658 CD2 LEU A 105 1.419 3.500 2.176 1.00 15.32 C ATOM 0 H LEU A 105 4.141 7.706 1.361 1.00 60.45 H new ATOM 0 HA LEU A 105 3.682 4.776 1.104 1.00 64.24 H new ATOM 0 HB2 LEU A 105 3.145 5.353 3.393 1.00 44.02 H new ATOM 0 HB3 LEU A 105 2.273 6.784 2.880 1.00 44.02 H new ATOM 0 HG LEU A 105 0.824 4.865 3.625 1.00 4.32 H new ATOM 0 HD11 LEU A 105 -0.856 5.087 1.923 1.00 72.12 H new ATOM 0 HD12 LEU A 105 -0.137 6.641 2.409 1.00 72.12 H new ATOM 0 HD13 LEU A 105 0.325 5.892 0.862 1.00 72.12 H new ATOM 0 HD21 LEU A 105 0.471 2.963 2.184 1.00 15.32 H new ATOM 0 HD22 LEU A 105 1.839 3.478 1.171 1.00 15.32 H new ATOM 0 HD23 LEU A 105 2.112 3.024 2.869 1.00 15.32 H new ATOM 1670 N ARG A 106 2.291 5.304 -0.855 1.00 31.24 N ATOM 1671 CA ARG A 106 1.240 5.429 -1.861 1.00 32.34 C ATOM 1672 C ARG A 106 0.453 4.135 -1.804 1.00 13.14 C ATOM 1673 O ARG A 106 1.043 3.056 -1.775 1.00 40.02 O ATOM 1674 CB ARG A 106 1.758 5.673 -3.293 1.00 42.42 C ATOM 1675 CG ARG A 106 2.681 6.895 -3.464 1.00 60.41 C ATOM 1676 CD ARG A 106 2.509 7.599 -4.827 1.00 55.24 C ATOM 1677 NE ARG A 106 3.778 7.849 -5.541 1.00 4.12 N ATOM 1678 CZ ARG A 106 4.272 9.026 -5.963 1.00 0.14 C ATOM 1679 NH1 ARG A 106 3.709 10.183 -5.630 1.00 35.30 N ATOM 1680 NH2 ARG A 106 5.349 9.046 -6.742 1.00 54.02 N ATOM 0 H ARG A 106 2.825 4.438 -0.930 1.00 31.24 H new ATOM 0 HA ARG A 106 0.637 6.308 -1.634 1.00 32.34 H new ATOM 0 HB2 ARG A 106 2.296 4.784 -3.623 1.00 42.42 H new ATOM 0 HB3 ARG A 106 0.901 5.791 -3.956 1.00 42.42 H new ATOM 0 HG2 ARG A 106 2.480 7.609 -2.665 1.00 60.41 H new ATOM 0 HG3 ARG A 106 3.718 6.578 -3.354 1.00 60.41 H new ATOM 0 HD2 ARG A 106 1.863 6.990 -5.459 1.00 55.24 H new ATOM 0 HD3 ARG A 106 1.999 8.550 -4.671 1.00 55.24 H new ATOM 0 HE ARG A 106 4.350 7.028 -5.738 1.00 4.12 H new ATOM 0 HH11 ARG A 106 2.878 10.194 -5.038 1.00 35.30 H new ATOM 0 HH12 ARG A 106 4.108 11.060 -5.966 1.00 35.30 H new ATOM 0 HH21 ARG A 106 5.796 8.171 -7.017 1.00 54.02 H new ATOM 0 HH22 ARG A 106 5.728 9.936 -7.065 1.00 54.02 H new ATOM 1694 N VAL A 107 -0.870 4.231 -1.762 1.00 71.25 N ATOM 1695 CA VAL A 107 -1.752 3.089 -1.894 1.00 55.15 C ATOM 1696 C VAL A 107 -2.805 3.499 -2.911 1.00 1.03 C ATOM 1697 O VAL A 107 -3.385 4.582 -2.810 1.00 2.13 O ATOM 1698 CB VAL A 107 -2.352 2.657 -0.539 1.00 52.24 C ATOM 1699 CG1 VAL A 107 -2.934 1.250 -0.707 1.00 64.41 C ATOM 1700 CG2 VAL A 107 -1.318 2.598 0.592 1.00 74.44 C ATOM 0 H VAL A 107 -1.361 5.116 -1.634 1.00 71.25 H new ATOM 0 HA VAL A 107 -1.214 2.204 -2.235 1.00 55.15 H new ATOM 0 HB VAL A 107 -3.101 3.400 -0.265 1.00 52.24 H new ATOM 0 HG11 VAL A 107 -3.365 0.920 0.238 1.00 64.41 H new ATOM 0 HG12 VAL A 107 -3.709 1.266 -1.474 1.00 64.41 H new ATOM 0 HG13 VAL A 107 -2.143 0.562 -1.005 1.00 64.41 H new ATOM 0 HG21 VAL A 107 -1.806 2.288 1.516 1.00 74.44 H new ATOM 0 HG22 VAL A 107 -0.538 1.881 0.335 1.00 74.44 H new ATOM 0 HG23 VAL A 107 -0.873 3.583 0.730 1.00 74.44 H new ATOM 1710 N GLU A 108 -3.048 2.655 -3.908 1.00 15.14 N ATOM 1711 CA GLU A 108 -3.989 2.947 -4.969 1.00 31.23 C ATOM 1712 C GLU A 108 -4.858 1.714 -5.177 1.00 41.24 C ATOM 1713 O GLU A 108 -4.392 0.577 -5.029 1.00 15.22 O ATOM 1714 CB GLU A 108 -3.263 3.355 -6.264 1.00 73.51 C ATOM 1715 CG GLU A 108 -2.276 4.522 -6.088 1.00 63.51 C ATOM 1716 CD GLU A 108 -1.727 5.073 -7.419 1.00 2.23 C ATOM 1717 OE1 GLU A 108 -1.533 4.289 -8.377 1.00 2.40 O ATOM 1718 OE2 GLU A 108 -1.471 6.295 -7.526 1.00 32.13 O ATOM 0 H GLU A 108 -2.593 1.747 -3.998 1.00 15.14 H new ATOM 0 HA GLU A 108 -4.615 3.795 -4.691 1.00 31.23 H new ATOM 0 HB2 GLU A 108 -2.723 2.492 -6.653 1.00 73.51 H new ATOM 0 HB3 GLU A 108 -4.005 3.631 -7.013 1.00 73.51 H new ATOM 0 HG2 GLU A 108 -2.772 5.328 -5.548 1.00 63.51 H new ATOM 0 HG3 GLU A 108 -1.442 4.191 -5.470 1.00 63.51 H new ATOM 1725 N PHE A 109 -6.125 1.942 -5.516 1.00 40.02 N ATOM 1726 CA PHE A 109 -7.135 0.910 -5.656 1.00 62.31 C ATOM 1727 C PHE A 109 -7.868 1.137 -6.977 1.00 73.45 C ATOM 1728 O PHE A 109 -8.329 2.249 -7.245 1.00 35.32 O ATOM 1729 CB PHE A 109 -8.116 0.973 -4.471 1.00 72.43 C ATOM 1730 CG PHE A 109 -7.517 1.070 -3.072 1.00 0.00 C ATOM 1731 CD1 PHE A 109 -6.609 0.101 -2.609 1.00 14.34 C ATOM 1732 CD2 PHE A 109 -7.883 2.125 -2.214 1.00 51.34 C ATOM 1733 CE1 PHE A 109 -6.063 0.195 -1.315 1.00 41.42 C ATOM 1734 CE2 PHE A 109 -7.347 2.218 -0.918 1.00 62.13 C ATOM 1735 CZ PHE A 109 -6.438 1.249 -0.462 1.00 74.45 C ATOM 0 H PHE A 109 -6.482 2.879 -5.705 1.00 40.02 H new ATOM 0 HA PHE A 109 -6.674 -0.078 -5.658 1.00 62.31 H new ATOM 0 HB2 PHE A 109 -8.769 1.833 -4.619 1.00 72.43 H new ATOM 0 HB3 PHE A 109 -8.746 0.085 -4.507 1.00 72.43 H new ATOM 0 HD1 PHE A 109 -6.329 -0.721 -3.251 1.00 14.34 H new ATOM 0 HD2 PHE A 109 -8.584 2.872 -2.556 1.00 51.34 H new ATOM 0 HE1 PHE A 109 -5.353 -0.545 -0.976 1.00 41.42 H new ATOM 0 HE2 PHE A 109 -7.634 3.035 -0.272 1.00 62.13 H new ATOM 0 HZ PHE A 109 -6.030 1.313 0.536 1.00 74.45 H new ATOM 1745 N GLU A 110 -8.024 0.084 -7.778 1.00 21.51 N ATOM 1746 CA GLU A 110 -8.869 0.055 -8.966 1.00 62.42 C ATOM 1747 C GLU A 110 -9.969 -0.975 -8.728 1.00 34.23 C ATOM 1748 O GLU A 110 -9.705 -2.114 -8.328 1.00 41.21 O ATOM 1749 CB GLU A 110 -8.084 -0.344 -10.222 1.00 74.14 C ATOM 1750 CG GLU A 110 -7.220 0.756 -10.832 1.00 52.34 C ATOM 1751 CD GLU A 110 -6.343 0.222 -11.971 1.00 22.22 C ATOM 1752 OE1 GLU A 110 -6.730 -0.723 -12.692 1.00 51.43 O ATOM 1753 OE2 GLU A 110 -5.200 0.712 -12.138 1.00 11.24 O ATOM 0 H GLU A 110 -7.548 -0.802 -7.610 1.00 21.51 H new ATOM 0 HA GLU A 110 -9.273 1.054 -9.132 1.00 62.42 H new ATOM 0 HB2 GLU A 110 -7.443 -1.191 -9.975 1.00 74.14 H new ATOM 0 HB3 GLU A 110 -8.791 -0.688 -10.977 1.00 74.14 H new ATOM 0 HG2 GLU A 110 -7.859 1.554 -11.209 1.00 52.34 H new ATOM 0 HG3 GLU A 110 -6.587 1.192 -10.059 1.00 52.34 H new ATOM 1760 N LEU A 111 -11.207 -0.592 -9.005 1.00 75.15 N ATOM 1761 CA LEU A 111 -12.349 -1.495 -9.066 1.00 73.42 C ATOM 1762 C LEU A 111 -12.274 -2.255 -10.373 1.00 62.53 C ATOM 1763 O LEU A 111 -12.113 -1.652 -11.432 1.00 61.54 O ATOM 1764 CB LEU A 111 -13.655 -0.702 -8.946 1.00 64.11 C ATOM 1765 CG LEU A 111 -14.951 -1.499 -8.690 1.00 20.21 C ATOM 1766 CD1 LEU A 111 -15.781 -1.709 -9.951 1.00 54.23 C ATOM 1767 CD2 LEU A 111 -14.795 -2.805 -7.924 1.00 64.23 C ATOM 0 H LEU A 111 -11.452 0.379 -9.198 1.00 75.15 H new ATOM 0 HA LEU A 111 -12.328 -2.203 -8.237 1.00 73.42 H new ATOM 0 HB2 LEU A 111 -13.538 0.019 -8.137 1.00 64.11 H new ATOM 0 HB3 LEU A 111 -13.787 -0.131 -9.865 1.00 64.11 H new ATOM 0 HG LEU A 111 -15.498 -0.840 -8.016 1.00 20.21 H new ATOM 0 HD11 LEU A 111 -16.679 -2.276 -9.705 1.00 54.23 H new ATOM 0 HD12 LEU A 111 -16.064 -0.741 -10.365 1.00 54.23 H new ATOM 0 HD13 LEU A 111 -15.194 -2.260 -10.685 1.00 54.23 H new ATOM 0 HD21 LEU A 111 -15.771 -3.276 -7.805 1.00 64.23 H new ATOM 0 HD22 LEU A 111 -14.135 -3.474 -8.476 1.00 64.23 H new ATOM 0 HD23 LEU A 111 -14.368 -2.602 -6.942 1.00 64.23 H new ATOM 1779 N GLN A 112 -12.352 -3.576 -10.288 1.00 23.34 N ATOM 1780 CA GLN A 112 -12.332 -4.450 -11.451 1.00 15.40 C ATOM 1781 C GLN A 112 -13.779 -4.756 -11.846 1.00 4.11 C ATOM 1782 O GLN A 112 -14.695 -4.578 -11.040 1.00 11.32 O ATOM 1783 CB GLN A 112 -11.561 -5.724 -11.140 1.00 61.44 C ATOM 1784 CG GLN A 112 -10.170 -5.491 -10.537 1.00 11.41 C ATOM 1785 CD GLN A 112 -9.229 -4.563 -11.314 1.00 71.11 C ATOM 1786 OE1 GLN A 112 -8.780 -4.846 -12.421 1.00 62.14 O ATOM 1787 NE2 GLN A 112 -8.829 -3.457 -10.714 1.00 12.02 N ATOM 0 H GLN A 112 -12.432 -4.075 -9.402 1.00 23.34 H new ATOM 0 HA GLN A 112 -11.827 -3.962 -12.284 1.00 15.40 H new ATOM 0 HB2 GLN A 112 -12.147 -6.329 -10.448 1.00 61.44 H new ATOM 0 HB3 GLN A 112 -11.454 -6.303 -12.058 1.00 61.44 H new ATOM 0 HG2 GLN A 112 -10.298 -5.084 -9.534 1.00 11.41 H new ATOM 0 HG3 GLN A 112 -9.680 -6.459 -10.428 1.00 11.41 H new ATOM 0 HE21 GLN A 112 -9.197 -3.214 -9.794 1.00 12.02 H new ATOM 0 HE22 GLN A 112 -8.152 -2.845 -11.170 1.00 12.02 H new ATOM 1796 N ALA A 113 -14.002 -5.260 -13.057 1.00 60.52 N ATOM 1797 CA ALA A 113 -15.336 -5.615 -13.537 1.00 24.42 C ATOM 1798 C ALA A 113 -15.952 -6.745 -12.700 1.00 0.21 C ATOM 1799 O ALA A 113 -17.171 -6.866 -12.608 1.00 0.03 O ATOM 1800 CB ALA A 113 -15.227 -5.993 -15.009 1.00 52.24 C ATOM 0 H ALA A 113 -13.261 -5.434 -13.736 1.00 60.52 H new ATOM 0 HA ALA A 113 -16.007 -4.762 -13.431 1.00 24.42 H new ATOM 0 HB1 ALA A 113 -16.212 -6.262 -15.389 1.00 52.24 H new ATOM 0 HB2 ALA A 113 -14.839 -5.146 -15.574 1.00 52.24 H new ATOM 0 HB3 ALA A 113 -14.552 -6.842 -15.118 1.00 52.24 H new ATOM 1806 N ASP A 114 -15.127 -7.526 -12.002 1.00 43.01 N ATOM 1807 CA ASP A 114 -15.552 -8.519 -11.016 1.00 72.45 C ATOM 1808 C ASP A 114 -16.367 -7.887 -9.880 1.00 51.15 C ATOM 1809 O ASP A 114 -17.045 -8.601 -9.143 1.00 30.53 O ATOM 1810 CB ASP A 114 -14.325 -9.224 -10.428 1.00 65.44 C ATOM 1811 CG ASP A 114 -13.807 -10.319 -11.350 1.00 50.45 C ATOM 1812 OD1 ASP A 114 -14.382 -11.424 -11.311 1.00 25.42 O ATOM 1813 OD2 ASP A 114 -12.812 -10.069 -12.073 1.00 3.24 O ATOM 0 H ASP A 114 -14.114 -7.483 -12.111 1.00 43.01 H new ATOM 0 HA ASP A 114 -16.191 -9.238 -11.529 1.00 72.45 H new ATOM 0 HB2 ASP A 114 -13.536 -8.493 -10.252 1.00 65.44 H new ATOM 0 HB3 ASP A 114 -14.582 -9.655 -9.460 1.00 65.44 H new ATOM 1818 N GLY A 115 -16.316 -6.556 -9.712 1.00 75.43 N ATOM 1819 CA GLY A 115 -16.988 -5.827 -8.652 1.00 43.05 C ATOM 1820 C GLY A 115 -16.201 -5.852 -7.351 1.00 0.33 C ATOM 1821 O GLY A 115 -16.593 -5.157 -6.417 1.00 3.04 O ATOM 0 H GLY A 115 -15.786 -5.948 -10.336 1.00 75.43 H new ATOM 0 HA2 GLY A 115 -17.140 -4.793 -8.963 1.00 43.05 H new ATOM 0 HA3 GLY A 115 -17.975 -6.258 -8.486 1.00 43.05 H new ATOM 1825 N LYS A 116 -15.093 -6.599 -7.279 1.00 64.55 N ATOM 1826 CA LYS A 116 -14.174 -6.515 -6.163 1.00 2.04 C ATOM 1827 C LYS A 116 -13.172 -5.431 -6.500 1.00 51.21 C ATOM 1828 O LYS A 116 -12.704 -5.331 -7.640 1.00 2.01 O ATOM 1829 CB LYS A 116 -13.442 -7.846 -5.928 1.00 12.22 C ATOM 1830 CG LYS A 116 -14.338 -8.907 -5.277 1.00 25.30 C ATOM 1831 CD LYS A 116 -15.229 -9.621 -6.303 1.00 5.32 C ATOM 1832 CE LYS A 116 -15.910 -10.848 -5.704 1.00 21.53 C ATOM 1833 NZ LYS A 116 -16.806 -11.463 -6.694 1.00 43.03 N ATOM 0 H LYS A 116 -14.819 -7.272 -7.994 1.00 64.55 H new ATOM 0 HA LYS A 116 -14.722 -6.289 -5.248 1.00 2.04 H new ATOM 0 HB2 LYS A 116 -13.070 -8.225 -6.880 1.00 12.22 H new ATOM 0 HB3 LYS A 116 -12.573 -7.671 -5.294 1.00 12.22 H new ATOM 0 HG2 LYS A 116 -13.716 -9.641 -4.765 1.00 25.30 H new ATOM 0 HG3 LYS A 116 -14.964 -8.436 -4.519 1.00 25.30 H new ATOM 0 HD2 LYS A 116 -15.986 -8.929 -6.672 1.00 5.32 H new ATOM 0 HD3 LYS A 116 -14.627 -9.921 -7.161 1.00 5.32 H new ATOM 0 HE2 LYS A 116 -15.159 -11.570 -5.384 1.00 21.53 H new ATOM 0 HE3 LYS A 116 -16.476 -10.563 -4.817 1.00 21.53 H new ATOM 0 HZ1 LYS A 116 -17.265 -12.298 -6.276 1.00 43.03 H new ATOM 0 HZ2 LYS A 116 -17.532 -10.775 -6.979 1.00 43.03 H new ATOM 0 HZ3 LYS A 116 -16.256 -11.752 -7.528 1.00 43.03 H new ATOM 1847 N TRP A 117 -12.816 -4.647 -5.496 1.00 53.31 N ATOM 1848 CA TRP A 117 -11.707 -3.715 -5.604 1.00 2.00 C ATOM 1849 C TRP A 117 -10.405 -4.502 -5.573 1.00 21.41 C ATOM 1850 O TRP A 117 -10.345 -5.563 -4.950 1.00 20.41 O ATOM 1851 CB TRP A 117 -11.810 -2.696 -4.473 1.00 64.43 C ATOM 1852 CG TRP A 117 -12.919 -1.716 -4.689 1.00 44.42 C ATOM 1853 CD1 TRP A 117 -14.226 -1.895 -4.384 1.00 21.50 C ATOM 1854 CD2 TRP A 117 -12.833 -0.414 -5.336 1.00 64.52 C ATOM 1855 NE1 TRP A 117 -14.953 -0.825 -4.861 1.00 51.24 N ATOM 1856 CE2 TRP A 117 -14.150 0.110 -5.472 1.00 2.30 C ATOM 1857 CE3 TRP A 117 -11.770 0.365 -5.840 1.00 22.41 C ATOM 1858 CZ2 TRP A 117 -14.403 1.341 -6.099 1.00 32.32 C ATOM 1859 CZ3 TRP A 117 -12.001 1.627 -6.416 1.00 75.41 C ATOM 1860 CH2 TRP A 117 -13.314 2.113 -6.549 1.00 2.14 C ATOM 0 H TRP A 117 -13.284 -4.638 -4.590 1.00 53.31 H new ATOM 0 HA TRP A 117 -11.735 -3.163 -6.544 1.00 2.00 H new ATOM 0 HB2 TRP A 117 -11.969 -3.219 -3.530 1.00 64.43 H new ATOM 0 HB3 TRP A 117 -10.866 -2.159 -4.384 1.00 64.43 H new ATOM 0 HD1 TRP A 117 -14.634 -2.741 -3.852 1.00 21.50 H new ATOM 0 HE1 TRP A 117 -15.965 -0.737 -4.772 1.00 51.24 H new ATOM 0 HE3 TRP A 117 -10.761 -0.015 -5.782 1.00 22.41 H new ATOM 0 HZ2 TRP A 117 -15.416 1.690 -6.234 1.00 32.32 H new ATOM 0 HZ3 TRP A 117 -11.168 2.224 -6.757 1.00 75.41 H new ATOM 0 HH2 TRP A 117 -13.488 3.080 -6.997 1.00 2.14 H new ATOM 1871 N TYR A 118 -9.368 -3.994 -6.228 1.00 42.24 N ATOM 1872 CA TYR A 118 -8.033 -4.561 -6.233 1.00 71.11 C ATOM 1873 C TYR A 118 -7.056 -3.432 -5.950 1.00 1.30 C ATOM 1874 O TYR A 118 -7.170 -2.345 -6.519 1.00 23.31 O ATOM 1875 CB TYR A 118 -7.727 -5.232 -7.581 1.00 3.02 C ATOM 1876 CG TYR A 118 -8.104 -6.702 -7.650 1.00 0.20 C ATOM 1877 CD1 TYR A 118 -9.451 -7.114 -7.605 1.00 31.11 C ATOM 1878 CD2 TYR A 118 -7.088 -7.671 -7.731 1.00 44.22 C ATOM 1879 CE1 TYR A 118 -9.785 -8.480 -7.601 1.00 4.02 C ATOM 1880 CE2 TYR A 118 -7.406 -9.036 -7.719 1.00 30.21 C ATOM 1881 CZ TYR A 118 -8.752 -9.446 -7.627 1.00 22.54 C ATOM 1882 OH TYR A 118 -9.031 -10.772 -7.574 1.00 62.33 O ATOM 0 H TYR A 118 -9.441 -3.145 -6.789 1.00 42.24 H new ATOM 0 HA TYR A 118 -7.946 -5.335 -5.470 1.00 71.11 H new ATOM 0 HB2 TYR A 118 -8.257 -4.696 -8.368 1.00 3.02 H new ATOM 0 HB3 TYR A 118 -6.662 -5.132 -7.789 1.00 3.02 H new ATOM 0 HD1 TYR A 118 -10.235 -6.372 -7.573 1.00 31.11 H new ATOM 0 HD2 TYR A 118 -6.056 -7.361 -7.803 1.00 44.22 H new ATOM 0 HE1 TYR A 118 -10.820 -8.788 -7.578 1.00 4.02 H new ATOM 0 HE2 TYR A 118 -6.620 -9.774 -7.780 1.00 30.21 H new ATOM 0 HH TYR A 118 -8.196 -11.284 -7.604 1.00 62.33 H new ATOM 1892 N VAL A 119 -6.096 -3.695 -5.073 1.00 22.21 N ATOM 1893 CA VAL A 119 -4.926 -2.856 -4.876 1.00 75.31 C ATOM 1894 C VAL A 119 -4.105 -2.883 -6.166 1.00 31.40 C ATOM 1895 O VAL A 119 -3.982 -3.943 -6.791 1.00 71.14 O ATOM 1896 CB VAL A 119 -4.121 -3.400 -3.682 1.00 40.25 C ATOM 1897 CG1 VAL A 119 -2.864 -2.565 -3.437 1.00 12.33 C ATOM 1898 CG2 VAL A 119 -4.953 -3.479 -2.389 1.00 44.05 C ATOM 0 H VAL A 119 -6.111 -4.515 -4.467 1.00 22.21 H new ATOM 0 HA VAL A 119 -5.203 -1.825 -4.655 1.00 75.31 H new ATOM 0 HB VAL A 119 -3.832 -4.416 -3.951 1.00 40.25 H new ATOM 0 HG11 VAL A 119 -2.316 -2.973 -2.588 1.00 12.33 H new ATOM 0 HG12 VAL A 119 -2.231 -2.591 -4.324 1.00 12.33 H new ATOM 0 HG13 VAL A 119 -3.148 -1.534 -3.224 1.00 12.33 H new ATOM 0 HG21 VAL A 119 -4.334 -3.869 -1.581 1.00 44.05 H new ATOM 0 HG22 VAL A 119 -5.310 -2.484 -2.124 1.00 44.05 H new ATOM 0 HG23 VAL A 119 -5.805 -4.140 -2.545 1.00 44.05 H new ATOM 1908 N VAL A 120 -3.521 -1.743 -6.532 1.00 20.20 N ATOM 1909 CA VAL A 120 -2.628 -1.609 -7.676 1.00 63.53 C ATOM 1910 C VAL A 120 -1.322 -0.886 -7.311 1.00 54.24 C ATOM 1911 O VAL A 120 -0.485 -0.725 -8.193 1.00 31.13 O ATOM 1912 CB VAL A 120 -3.368 -0.976 -8.878 1.00 43.13 C ATOM 1913 CG1 VAL A 120 -4.552 -1.845 -9.331 1.00 61.53 C ATOM 1914 CG2 VAL A 120 -3.881 0.447 -8.621 1.00 35.43 C ATOM 0 H VAL A 120 -3.661 -0.868 -6.028 1.00 20.20 H new ATOM 0 HA VAL A 120 -2.322 -2.608 -7.987 1.00 63.53 H new ATOM 0 HB VAL A 120 -2.613 -0.919 -9.662 1.00 43.13 H new ATOM 0 HG11 VAL A 120 -5.049 -1.370 -10.177 1.00 61.53 H new ATOM 0 HG12 VAL A 120 -4.189 -2.828 -9.629 1.00 61.53 H new ATOM 0 HG13 VAL A 120 -5.259 -1.953 -8.509 1.00 61.53 H new ATOM 0 HG21 VAL A 120 -4.387 0.818 -9.512 1.00 35.43 H new ATOM 0 HG22 VAL A 120 -4.580 0.436 -7.785 1.00 35.43 H new ATOM 0 HG23 VAL A 120 -3.041 1.099 -8.383 1.00 35.43 H new ATOM 1924 N ASP A 121 -1.109 -0.515 -6.043 1.00 22.30 N ATOM 1925 CA ASP A 121 0.102 0.151 -5.541 1.00 2.13 C ATOM 1926 C ASP A 121 0.380 -0.373 -4.131 1.00 63.32 C ATOM 1927 O ASP A 121 -0.569 -0.558 -3.365 1.00 51.13 O ATOM 1928 CB ASP A 121 -0.071 1.677 -5.505 1.00 64.24 C ATOM 1929 CG ASP A 121 1.256 2.434 -5.401 1.00 75.12 C ATOM 1930 OD1 ASP A 121 2.193 1.936 -4.737 1.00 1.32 O ATOM 1931 OD2 ASP A 121 1.375 3.482 -6.069 1.00 22.53 O ATOM 0 H ASP A 121 -1.800 -0.676 -5.310 1.00 22.30 H new ATOM 0 HA ASP A 121 0.936 -0.068 -6.208 1.00 2.13 H new ATOM 0 HB2 ASP A 121 -0.595 1.998 -6.405 1.00 64.24 H new ATOM 0 HB3 ASP A 121 -0.701 1.944 -4.657 1.00 64.24 H new ATOM 1936 N CYS A 122 1.645 -0.657 -3.814 1.00 3.31 N ATOM 1937 CA CYS A 122 2.106 -1.196 -2.534 1.00 44.05 C ATOM 1938 C CYS A 122 3.357 -0.441 -2.038 1.00 51.12 C ATOM 1939 O CYS A 122 4.294 -1.048 -1.512 1.00 34.21 O ATOM 1940 CB CYS A 122 2.360 -2.697 -2.732 1.00 24.50 C ATOM 1941 SG CYS A 122 2.614 -3.626 -1.199 1.00 22.31 S ATOM 0 H CYS A 122 2.410 -0.511 -4.473 1.00 3.31 H new ATOM 0 HA CYS A 122 1.353 -1.059 -1.757 1.00 44.05 H new ATOM 0 HB2 CYS A 122 1.514 -3.128 -3.267 1.00 24.50 H new ATOM 0 HB3 CYS A 122 3.236 -2.823 -3.368 1.00 24.50 H new ATOM 0 HG CYS A 122 1.842 -4.672 -1.192 1.00 22.31 H new ATOM 1947 N TYR A 123 3.436 0.871 -2.256 1.00 24.14 N ATOM 1948 CA TYR A 123 4.550 1.677 -1.763 1.00 21.40 C ATOM 1949 C TYR A 123 4.372 1.954 -0.265 1.00 0.32 C ATOM 1950 O TYR A 123 3.250 2.226 0.154 1.00 15.41 O ATOM 1951 CB TYR A 123 4.580 2.974 -2.567 1.00 20.51 C ATOM 1952 CG TYR A 123 5.930 3.635 -2.622 1.00 21.41 C ATOM 1953 CD1 TYR A 123 6.916 3.085 -3.464 1.00 13.34 C ATOM 1954 CD2 TYR A 123 6.182 4.823 -1.910 1.00 35.44 C ATOM 1955 CE1 TYR A 123 8.157 3.721 -3.602 1.00 61.33 C ATOM 1956 CE2 TYR A 123 7.402 5.488 -2.090 1.00 55.24 C ATOM 1957 CZ TYR A 123 8.394 4.941 -2.932 1.00 32.13 C ATOM 1958 OH TYR A 123 9.538 5.628 -3.163 1.00 13.44 O ATOM 0 H TYR A 123 2.736 1.401 -2.775 1.00 24.14 H new ATOM 0 HA TYR A 123 5.496 1.150 -1.887 1.00 21.40 H new ATOM 0 HB2 TYR A 123 4.249 2.765 -3.584 1.00 20.51 H new ATOM 0 HB3 TYR A 123 3.863 3.673 -2.135 1.00 20.51 H new ATOM 0 HD1 TYR A 123 6.715 2.172 -4.004 1.00 13.34 H new ATOM 0 HD2 TYR A 123 5.441 5.218 -1.231 1.00 35.44 H new ATOM 0 HE1 TYR A 123 8.928 3.281 -4.217 1.00 61.33 H new ATOM 0 HE2 TYR A 123 7.584 6.424 -1.582 1.00 55.24 H new ATOM 0 HH TYR A 123 9.543 6.446 -2.623 1.00 13.44 H new ATOM 1968 N THR A 124 5.425 1.892 0.557 1.00 0.33 N ATOM 1969 CA THR A 124 5.345 2.120 2.011 1.00 63.32 C ATOM 1970 C THR A 124 6.711 2.445 2.627 1.00 20.20 C ATOM 1971 O THR A 124 6.949 2.186 3.805 1.00 41.22 O ATOM 1972 CB THR A 124 4.658 0.907 2.687 1.00 23.53 C ATOM 1973 OG1 THR A 124 4.206 1.245 3.982 1.00 52.42 O ATOM 1974 CG2 THR A 124 5.516 -0.346 2.762 1.00 72.52 C ATOM 0 H THR A 124 6.368 1.680 0.232 1.00 0.33 H new ATOM 0 HA THR A 124 4.734 3.004 2.192 1.00 63.32 H new ATOM 0 HB THR A 124 3.816 0.664 2.039 1.00 23.53 H new ATOM 0 HG1 THR A 124 4.929 1.684 4.477 1.00 52.42 H new ATOM 0 HG21 THR A 124 4.955 -1.143 3.250 1.00 72.52 H new ATOM 0 HG22 THR A 124 5.791 -0.660 1.755 1.00 72.52 H new ATOM 0 HG23 THR A 124 6.419 -0.135 3.335 1.00 72.52 H new ATOM 1982 N GLY A 125 7.671 2.908 1.834 1.00 14.02 N ATOM 1983 CA GLY A 125 9.042 3.103 2.292 1.00 55.41 C ATOM 1984 C GLY A 125 9.833 1.803 2.468 1.00 73.41 C ATOM 1985 O GLY A 125 11.038 1.814 2.209 1.00 34.00 O ATOM 0 H GLY A 125 7.521 3.158 0.857 1.00 14.02 H new ATOM 0 HA2 GLY A 125 9.565 3.740 1.579 1.00 55.41 H new ATOM 0 HA3 GLY A 125 9.024 3.636 3.242 1.00 55.41 H new ATOM 1989 N TRP A 126 9.184 0.669 2.789 1.00 53.35 N ATOM 1990 CA TRP A 126 9.803 -0.663 2.821 1.00 40.13 C ATOM 1991 C TRP A 126 10.493 -0.998 1.496 1.00 53.53 C ATOM 1992 O TRP A 126 11.469 -1.748 1.464 1.00 41.45 O ATOM 1993 CB TRP A 126 8.773 -1.774 3.092 1.00 41.11 C ATOM 1994 CG TRP A 126 8.629 -2.228 4.518 1.00 4.14 C ATOM 1995 CD1 TRP A 126 7.467 -2.420 5.184 1.00 52.23 C ATOM 1996 CD2 TRP A 126 9.681 -2.555 5.480 1.00 20.12 C ATOM 1997 NE1 TRP A 126 7.726 -2.881 6.461 1.00 14.53 N ATOM 1998 CE2 TRP A 126 9.072 -3.026 6.681 1.00 55.45 C ATOM 1999 CE3 TRP A 126 11.087 -2.457 5.487 1.00 13.31 C ATOM 2000 CZ2 TRP A 126 9.808 -3.440 7.796 1.00 44.22 C ATOM 2001 CZ3 TRP A 126 11.835 -2.839 6.611 1.00 12.52 C ATOM 2002 CH2 TRP A 126 11.205 -3.340 7.761 1.00 72.04 C ATOM 0 H TRP A 126 8.195 0.656 3.038 1.00 53.35 H new ATOM 0 HA TRP A 126 10.532 -0.624 3.631 1.00 40.13 H new ATOM 0 HB2 TRP A 126 7.799 -1.427 2.745 1.00 41.11 H new ATOM 0 HB3 TRP A 126 9.038 -2.639 2.485 1.00 41.11 H new ATOM 0 HD1 TRP A 126 6.483 -2.240 4.778 1.00 52.23 H new ATOM 0 HE1 TRP A 126 7.006 -3.088 7.153 1.00 14.53 H new ATOM 0 HE3 TRP A 126 11.597 -2.082 4.612 1.00 13.31 H new ATOM 0 HZ2 TRP A 126 9.308 -3.830 8.670 1.00 44.22 H new ATOM 0 HZ3 TRP A 126 12.911 -2.746 6.591 1.00 12.52 H new ATOM 0 HH2 TRP A 126 11.793 -3.646 8.613 1.00 72.04 H new ATOM 2013 N TYR A 127 9.953 -0.475 0.393 1.00 40.54 N ATOM 2014 CA TYR A 127 10.475 -0.684 -0.949 1.00 41.31 C ATOM 2015 C TYR A 127 10.743 0.685 -1.590 1.00 32.03 C ATOM 2016 O TYR A 127 10.470 0.883 -2.777 1.00 4.30 O ATOM 2017 CB TYR A 127 9.516 -1.586 -1.754 1.00 21.33 C ATOM 2018 CG TYR A 127 9.058 -2.809 -0.981 1.00 1.51 C ATOM 2019 CD1 TYR A 127 9.943 -3.879 -0.770 1.00 73.45 C ATOM 2020 CD2 TYR A 127 7.791 -2.822 -0.370 1.00 71.43 C ATOM 2021 CE1 TYR A 127 9.586 -4.933 0.091 1.00 75.24 C ATOM 2022 CE2 TYR A 127 7.430 -3.863 0.499 1.00 51.15 C ATOM 2023 CZ TYR A 127 8.341 -4.909 0.758 1.00 54.15 C ATOM 2024 OH TYR A 127 8.023 -5.900 1.629 1.00 71.21 O ATOM 0 H TYR A 127 9.123 0.118 0.414 1.00 40.54 H new ATOM 0 HA TYR A 127 11.426 -1.216 -0.929 1.00 41.31 H new ATOM 0 HB2 TYR A 127 8.644 -1.004 -2.051 1.00 21.33 H new ATOM 0 HB3 TYR A 127 10.012 -1.907 -2.670 1.00 21.33 H new ATOM 0 HD1 TYR A 127 10.900 -3.893 -1.270 1.00 73.45 H new ATOM 0 HD2 TYR A 127 7.091 -2.025 -0.571 1.00 71.43 H new ATOM 0 HE1 TYR A 127 10.264 -5.760 0.242 1.00 75.24 H new ATOM 0 HE2 TYR A 127 6.457 -3.864 0.968 1.00 51.15 H new ATOM 0 HH TYR A 127 8.634 -6.655 1.502 1.00 71.21 H new ATOM 2034 N GLY A 128 11.162 1.666 -0.784 1.00 0.40 N ATOM 2035 CA GLY A 128 11.525 3.001 -1.236 1.00 0.13 C ATOM 2036 C GLY A 128 12.851 2.975 -1.998 1.00 55.41 C ATOM 2037 O GLY A 128 13.488 1.929 -2.137 1.00 4.22 O ATOM 0 H GLY A 128 11.258 1.545 0.224 1.00 0.40 H new ATOM 0 HA2 GLY A 128 10.739 3.399 -1.878 1.00 0.13 H new ATOM 0 HA3 GLY A 128 11.606 3.670 -0.380 1.00 0.13 H new ATOM 2041 N TYR A 129 13.287 4.136 -2.480 1.00 11.34 N ATOM 2042 CA TYR A 129 14.517 4.301 -3.261 1.00 62.01 C ATOM 2043 C TYR A 129 15.751 4.489 -2.363 1.00 73.12 C ATOM 2044 O TYR A 129 16.742 5.113 -2.738 1.00 61.45 O ATOM 2045 CB TYR A 129 14.337 5.448 -4.256 1.00 73.03 C ATOM 2046 CG TYR A 129 13.524 5.052 -5.474 1.00 3.53 C ATOM 2047 CD1 TYR A 129 12.120 5.075 -5.420 1.00 13.42 C ATOM 2048 CD2 TYR A 129 14.175 4.632 -6.649 1.00 32.44 C ATOM 2049 CE1 TYR A 129 11.358 4.662 -6.527 1.00 52.25 C ATOM 2050 CE2 TYR A 129 13.426 4.261 -7.774 1.00 40.42 C ATOM 2051 CZ TYR A 129 12.016 4.264 -7.712 1.00 43.31 C ATOM 2052 OH TYR A 129 11.307 3.924 -8.817 1.00 75.42 O ATOM 0 H TYR A 129 12.785 5.012 -2.336 1.00 11.34 H new ATOM 0 HA TYR A 129 14.703 3.385 -3.822 1.00 62.01 H new ATOM 0 HB2 TYR A 129 13.848 6.283 -3.755 1.00 73.03 H new ATOM 0 HB3 TYR A 129 15.317 5.800 -4.578 1.00 73.03 H new ATOM 0 HD1 TYR A 129 11.623 5.412 -4.522 1.00 13.42 H new ATOM 0 HD2 TYR A 129 15.254 4.596 -6.684 1.00 32.44 H new ATOM 0 HE1 TYR A 129 10.279 4.649 -6.472 1.00 52.25 H new ATOM 0 HE2 TYR A 129 13.927 3.973 -8.687 1.00 40.42 H new ATOM 0 HH TYR A 129 11.923 3.678 -9.538 1.00 75.42 H new ATOM 2062 N ASP A 130 15.684 3.962 -1.147 1.00 64.03 N ATOM 2063 CA ASP A 130 16.601 4.259 -0.049 1.00 54.14 C ATOM 2064 C ASP A 130 17.305 3.011 0.490 1.00 73.25 C ATOM 2065 O ASP A 130 17.994 3.075 1.510 1.00 60.33 O ATOM 2066 CB ASP A 130 15.843 4.993 1.063 1.00 41.43 C ATOM 2067 CG ASP A 130 16.811 5.685 2.030 1.00 31.40 C ATOM 2068 OD1 ASP A 130 17.728 6.406 1.559 1.00 1.43 O ATOM 2069 OD2 ASP A 130 16.651 5.539 3.260 1.00 0.12 O ATOM 0 H ASP A 130 14.962 3.290 -0.886 1.00 64.03 H new ATOM 0 HA ASP A 130 17.390 4.902 -0.438 1.00 54.14 H new ATOM 0 HB2 ASP A 130 15.173 5.732 0.624 1.00 41.43 H new ATOM 0 HB3 ASP A 130 15.221 4.285 1.611 1.00 41.43 H new ATOM 2074 N LEU A 131 17.172 1.854 -0.170 1.00 14.52 N ATOM 2075 CA LEU A 131 17.839 0.628 0.267 1.00 71.02 C ATOM 2076 C LEU A 131 18.648 0.128 -0.928 1.00 44.21 C ATOM 2077 O LEU A 131 18.118 0.158 -2.039 1.00 63.22 O ATOM 2078 CB LEU A 131 16.730 -0.365 0.679 1.00 42.22 C ATOM 2079 CG LEU A 131 16.420 -0.305 2.188 1.00 14.10 C ATOM 2080 CD1 LEU A 131 14.957 -0.662 2.469 1.00 55.44 C ATOM 2081 CD2 LEU A 131 17.344 -1.251 2.964 1.00 15.43 C ATOM 0 H LEU A 131 16.606 1.744 -1.011 1.00 14.52 H new ATOM 0 HA LEU A 131 18.510 0.765 1.115 1.00 71.02 H new ATOM 0 HB2 LEU A 131 15.823 -0.147 0.115 1.00 42.22 H new ATOM 0 HB3 LEU A 131 17.035 -1.377 0.413 1.00 42.22 H new ATOM 0 HG LEU A 131 16.594 0.718 2.521 1.00 14.10 H new ATOM 0 HD11 LEU A 131 14.770 -0.611 3.542 1.00 55.44 H new ATOM 0 HD12 LEU A 131 14.305 0.042 1.953 1.00 55.44 H new ATOM 0 HD13 LEU A 131 14.754 -1.672 2.113 1.00 55.44 H new ATOM 0 HD21 LEU A 131 17.111 -1.196 4.027 1.00 15.43 H new ATOM 0 HD22 LEU A 131 17.197 -2.272 2.613 1.00 15.43 H new ATOM 0 HD23 LEU A 131 18.382 -0.958 2.804 1.00 15.43 H new ATOM 2093 N PRO A 132 19.863 -0.419 -0.754 1.00 55.45 N ATOM 2094 CA PRO A 132 20.703 -0.793 -1.889 1.00 21.00 C ATOM 2095 C PRO A 132 20.320 -2.175 -2.416 1.00 43.22 C ATOM 2096 O PRO A 132 19.697 -2.977 -1.712 1.00 73.21 O ATOM 2097 CB PRO A 132 22.138 -0.766 -1.351 1.00 41.35 C ATOM 2098 CG PRO A 132 21.953 -1.137 0.114 1.00 13.53 C ATOM 2099 CD PRO A 132 20.643 -0.437 0.473 1.00 40.21 C ATOM 0 HA PRO A 132 20.584 -0.113 -2.733 1.00 21.00 H new ATOM 0 HB2 PRO A 132 22.779 -1.478 -1.871 1.00 41.35 H new ATOM 0 HB3 PRO A 132 22.595 0.217 -1.465 1.00 41.35 H new ATOM 0 HG2 PRO A 132 21.887 -2.216 0.254 1.00 13.53 H new ATOM 0 HG3 PRO A 132 22.782 -0.786 0.729 1.00 13.53 H new ATOM 0 HD2 PRO A 132 20.117 -0.971 1.265 1.00 40.21 H new ATOM 0 HD3 PRO A 132 20.825 0.574 0.837 1.00 40.21 H new ATOM 2107 N ILE A 133 20.787 -2.501 -3.627 1.00 33.14 N ATOM 2108 CA ILE A 133 20.530 -3.784 -4.276 1.00 32.12 C ATOM 2109 C ILE A 133 21.006 -4.985 -3.440 1.00 0.40 C ATOM 2110 O ILE A 133 20.517 -6.107 -3.619 1.00 54.32 O ATOM 2111 CB ILE A 133 21.076 -3.739 -5.720 1.00 34.23 C ATOM 2112 CG1 ILE A 133 20.454 -4.833 -6.605 1.00 33.10 C ATOM 2113 CG2 ILE A 133 22.610 -3.783 -5.773 1.00 20.20 C ATOM 2114 CD1 ILE A 133 20.425 -4.444 -8.085 1.00 54.24 C ATOM 0 H ILE A 133 21.361 -1.871 -4.187 1.00 33.14 H new ATOM 0 HA ILE A 133 19.454 -3.947 -4.344 1.00 32.12 H new ATOM 0 HB ILE A 133 20.773 -2.775 -6.128 1.00 34.23 H new ATOM 0 HG12 ILE A 133 21.020 -5.757 -6.487 1.00 33.10 H new ATOM 0 HG13 ILE A 133 19.438 -5.036 -6.266 1.00 33.10 H new ATOM 0 HG21 ILE A 133 22.939 -3.749 -6.811 1.00 20.20 H new ATOM 0 HG22 ILE A 133 23.017 -2.927 -5.235 1.00 20.20 H new ATOM 0 HG23 ILE A 133 22.964 -4.704 -5.310 1.00 20.20 H new ATOM 0 HD11 ILE A 133 19.976 -5.251 -8.665 1.00 54.24 H new ATOM 0 HD12 ILE A 133 19.836 -3.536 -8.211 1.00 54.24 H new ATOM 0 HD13 ILE A 133 21.442 -4.268 -8.435 1.00 54.24 H new ATOM 2126 N GLY A 134 21.923 -4.769 -2.495 1.00 43.45 N ATOM 2127 CA GLY A 134 22.426 -5.809 -1.618 1.00 53.23 C ATOM 2128 C GLY A 134 21.489 -6.111 -0.453 1.00 42.14 C ATOM 2129 O GLY A 134 21.316 -7.281 -0.105 1.00 71.33 O ATOM 0 H GLY A 134 22.337 -3.853 -2.321 1.00 43.45 H new ATOM 0 HA2 GLY A 134 22.583 -6.720 -2.196 1.00 53.23 H new ATOM 0 HA3 GLY A 134 23.398 -5.508 -1.227 1.00 53.23 H new ATOM 2133 N GLU A 135 20.849 -5.100 0.136 1.00 75.05 N ATOM 2134 CA GLU A 135 20.107 -5.237 1.394 1.00 3.31 C ATOM 2135 C GLU A 135 18.684 -5.756 1.194 1.00 41.51 C ATOM 2136 O GLU A 135 17.928 -5.871 2.153 1.00 5.21 O ATOM 2137 CB GLU A 135 20.104 -3.916 2.165 1.00 32.10 C ATOM 2138 CG GLU A 135 21.500 -3.557 2.676 1.00 75.32 C ATOM 2139 CD GLU A 135 22.038 -4.368 3.856 1.00 22.04 C ATOM 2140 OE1 GLU A 135 21.626 -5.537 4.091 1.00 31.01 O ATOM 2141 OE2 GLU A 135 22.945 -3.859 4.532 1.00 31.21 O ATOM 0 H GLU A 135 20.830 -4.155 -0.248 1.00 75.05 H new ATOM 0 HA GLU A 135 20.628 -5.990 1.985 1.00 3.31 H new ATOM 0 HB2 GLU A 135 19.736 -3.118 1.519 1.00 32.10 H new ATOM 0 HB3 GLU A 135 19.415 -3.987 3.007 1.00 32.10 H new ATOM 0 HG2 GLU A 135 22.201 -3.659 1.847 1.00 75.32 H new ATOM 0 HG3 GLU A 135 21.496 -2.505 2.962 1.00 75.32 H new ATOM 2148 N LEU A 136 18.306 -6.092 -0.042 1.00 52.41 N ATOM 2149 CA LEU A 136 16.981 -6.585 -0.390 1.00 51.11 C ATOM 2150 C LEU A 136 16.498 -7.659 0.583 1.00 1.44 C ATOM 2151 O LEU A 136 15.517 -7.445 1.286 1.00 14.21 O ATOM 2152 CB LEU A 136 16.985 -7.071 -1.842 1.00 31.34 C ATOM 2153 CG LEU A 136 15.611 -7.537 -2.349 1.00 13.23 C ATOM 2154 CD1 LEU A 136 14.503 -6.519 -2.084 1.00 33.43 C ATOM 2155 CD2 LEU A 136 15.675 -7.811 -3.852 1.00 22.22 C ATOM 0 H LEU A 136 18.932 -6.025 -0.845 1.00 52.41 H new ATOM 0 HA LEU A 136 16.266 -5.767 -0.303 1.00 51.11 H new ATOM 0 HB2 LEU A 136 17.343 -6.265 -2.483 1.00 31.34 H new ATOM 0 HB3 LEU A 136 17.694 -7.893 -1.937 1.00 31.34 H new ATOM 0 HG LEU A 136 15.369 -8.446 -1.798 1.00 13.23 H new ATOM 0 HD11 LEU A 136 13.557 -6.904 -2.464 1.00 33.43 H new ATOM 0 HD12 LEU A 136 14.419 -6.344 -1.011 1.00 33.43 H new ATOM 0 HD13 LEU A 136 14.742 -5.582 -2.587 1.00 33.43 H new ATOM 0 HD21 LEU A 136 14.697 -8.141 -4.204 1.00 22.22 H new ATOM 0 HD22 LEU A 136 15.961 -6.899 -4.376 1.00 22.22 H new ATOM 0 HD23 LEU A 136 16.413 -8.589 -4.049 1.00 22.22 H new ATOM 2167 N LYS A 137 17.181 -8.808 0.634 1.00 12.54 N ATOM 2168 CA LYS A 137 16.730 -9.958 1.424 1.00 14.31 C ATOM 2169 C LYS A 137 16.582 -9.648 2.915 1.00 71.44 C ATOM 2170 O LYS A 137 15.650 -10.174 3.522 1.00 10.44 O ATOM 2171 CB LYS A 137 17.647 -11.171 1.206 1.00 42.51 C ATOM 2172 CG LYS A 137 17.306 -11.884 -0.112 1.00 34.22 C ATOM 2173 CD LYS A 137 17.923 -13.289 -0.190 1.00 63.32 C ATOM 2174 CE LYS A 137 19.409 -13.275 -0.571 1.00 23.14 C ATOM 2175 NZ LYS A 137 19.621 -13.340 -2.033 1.00 21.13 N ATOM 0 H LYS A 137 18.055 -8.966 0.133 1.00 12.54 H new ATOM 0 HA LYS A 137 15.732 -10.202 1.061 1.00 14.31 H new ATOM 0 HB2 LYS A 137 18.688 -10.847 1.191 1.00 42.51 H new ATOM 0 HB3 LYS A 137 17.541 -11.866 2.039 1.00 42.51 H new ATOM 0 HG2 LYS A 137 16.223 -11.959 -0.213 1.00 34.22 H new ATOM 0 HG3 LYS A 137 17.664 -11.285 -0.950 1.00 34.22 H new ATOM 0 HD2 LYS A 137 17.806 -13.784 0.774 1.00 63.32 H new ATOM 0 HD3 LYS A 137 17.372 -13.881 -0.921 1.00 63.32 H new ATOM 0 HE2 LYS A 137 19.872 -12.369 -0.180 1.00 23.14 H new ATOM 0 HE3 LYS A 137 19.910 -14.119 -0.097 1.00 23.14 H new ATOM 0 HZ1 LYS A 137 20.641 -13.328 -2.237 1.00 21.13 H new ATOM 0 HZ2 LYS A 137 19.204 -14.217 -2.406 1.00 21.13 H new ATOM 0 HZ3 LYS A 137 19.167 -12.521 -2.486 1.00 21.13 H new ATOM 2189 N GLN A 138 17.431 -8.792 3.483 1.00 4.50 N ATOM 2190 CA GLN A 138 17.340 -8.359 4.877 1.00 70.02 C ATOM 2191 C GLN A 138 15.957 -7.769 5.133 1.00 51.21 C ATOM 2192 O GLN A 138 15.279 -8.175 6.073 1.00 52.24 O ATOM 2193 CB GLN A 138 18.473 -7.360 5.172 1.00 51.34 C ATOM 2194 CG GLN A 138 18.339 -6.512 6.443 1.00 70.32 C ATOM 2195 CD GLN A 138 18.722 -7.266 7.713 1.00 43.41 C ATOM 2196 OE1 GLN A 138 17.769 -7.802 8.454 1.00 21.13 O flip ATOM 2197 NE2 GLN A 138 19.898 -7.368 8.048 1.00 2.22 N flip ATOM 0 H GLN A 138 18.213 -8.374 2.980 1.00 4.50 H new ATOM 0 HA GLN A 138 17.464 -9.204 5.555 1.00 70.02 H new ATOM 0 HB2 GLN A 138 19.408 -7.917 5.233 1.00 51.34 H new ATOM 0 HB3 GLN A 138 18.559 -6.684 4.321 1.00 51.34 H new ATOM 0 HG2 GLN A 138 18.969 -5.627 6.350 1.00 70.32 H new ATOM 0 HG3 GLN A 138 17.310 -6.163 6.532 1.00 70.32 H new ATOM 0 HE21 GLN A 138 20.630 -6.952 7.472 1.00 2.22 H new ATOM 0 HE22 GLN A 138 20.143 -7.869 8.902 1.00 2.22 H new ATOM 2206 N THR A 139 15.507 -6.856 4.277 1.00 3.54 N ATOM 2207 CA THR A 139 14.201 -6.251 4.431 1.00 33.14 C ATOM 2208 C THR A 139 13.100 -7.309 4.357 1.00 13.13 C ATOM 2209 O THR A 139 12.139 -7.255 5.114 1.00 3.32 O ATOM 2210 CB THR A 139 14.023 -5.195 3.342 1.00 15.50 C ATOM 2211 OG1 THR A 139 15.075 -4.246 3.393 1.00 21.13 O ATOM 2212 CG2 THR A 139 12.681 -4.483 3.451 1.00 62.13 C ATOM 0 H THR A 139 16.034 -6.523 3.470 1.00 3.54 H new ATOM 0 HA THR A 139 14.127 -5.779 5.410 1.00 33.14 H new ATOM 0 HB THR A 139 14.049 -5.715 2.384 1.00 15.50 H new ATOM 0 HG1 THR A 139 15.139 -3.782 2.532 1.00 21.13 H new ATOM 0 HG21 THR A 139 12.597 -3.741 2.657 1.00 62.13 H new ATOM 0 HG22 THR A 139 11.875 -5.210 3.355 1.00 62.13 H new ATOM 0 HG23 THR A 139 12.609 -3.988 4.419 1.00 62.13 H new ATOM 2220 N ILE A 140 13.220 -8.301 3.474 1.00 22.34 N ATOM 2221 CA ILE A 140 12.153 -9.272 3.272 1.00 30.23 C ATOM 2222 C ILE A 140 12.020 -10.159 4.514 1.00 22.01 C ATOM 2223 O ILE A 140 10.907 -10.572 4.852 1.00 30.33 O ATOM 2224 CB ILE A 140 12.345 -10.114 1.985 1.00 33.24 C ATOM 2225 CG1 ILE A 140 12.813 -9.265 0.781 1.00 21.41 C ATOM 2226 CG2 ILE A 140 11.003 -10.797 1.678 1.00 63.24 C ATOM 2227 CD1 ILE A 140 12.807 -9.955 -0.590 1.00 41.15 C ATOM 0 H ILE A 140 14.044 -8.450 2.891 1.00 22.34 H new ATOM 0 HA ILE A 140 11.223 -8.721 3.128 1.00 30.23 H new ATOM 0 HB ILE A 140 13.132 -10.849 2.153 1.00 33.24 H new ATOM 0 HG12 ILE A 140 12.178 -8.381 0.720 1.00 21.41 H new ATOM 0 HG13 ILE A 140 13.826 -8.917 0.983 1.00 21.41 H new ATOM 0 HG21 ILE A 140 11.100 -11.400 0.776 1.00 63.24 H new ATOM 0 HG22 ILE A 140 10.721 -11.437 2.514 1.00 63.24 H new ATOM 0 HG23 ILE A 140 10.235 -10.039 1.526 1.00 63.24 H new ATOM 0 HD11 ILE A 140 13.155 -9.256 -1.351 1.00 41.15 H new ATOM 0 HD12 ILE A 140 13.467 -10.822 -0.564 1.00 41.15 H new ATOM 0 HD13 ILE A 140 11.794 -10.278 -0.831 1.00 41.15 H new ATOM 2239 N GLN A 141 13.128 -10.469 5.191 1.00 22.04 N ATOM 2240 CA GLN A 141 13.085 -11.108 6.496 1.00 11.14 C ATOM 2241 C GLN A 141 12.268 -10.264 7.449 1.00 32.03 C ATOM 2242 O GLN A 141 11.288 -10.733 8.019 1.00 73.13 O ATOM 2243 CB GLN A 141 14.488 -11.316 7.051 1.00 5.12 C ATOM 2244 CG GLN A 141 15.295 -12.401 6.343 1.00 32.22 C ATOM 2245 CD GLN A 141 14.912 -13.828 6.740 1.00 41.41 C ATOM 2246 OE1 GLN A 141 14.290 -14.100 7.763 1.00 21.24 O ATOM 2247 NE2 GLN A 141 15.284 -14.805 5.939 1.00 34.31 N ATOM 0 H GLN A 141 14.071 -10.283 4.848 1.00 22.04 H new ATOM 0 HA GLN A 141 12.618 -12.087 6.386 1.00 11.14 H new ATOM 0 HB2 GLN A 141 15.034 -10.375 6.986 1.00 5.12 H new ATOM 0 HB3 GLN A 141 14.413 -11.569 8.109 1.00 5.12 H new ATOM 0 HG2 GLN A 141 15.167 -12.289 5.266 1.00 32.22 H new ATOM 0 HG3 GLN A 141 16.353 -12.248 6.556 1.00 32.22 H new ATOM 0 HE21 GLN A 141 15.801 -14.596 5.085 1.00 34.31 H new ATOM 0 HE22 GLN A 141 15.055 -15.771 6.172 1.00 34.31 H new ATOM 2256 N ASN A 142 12.654 -9.009 7.590 1.00 62.35 N ATOM 2257 CA ASN A 142 12.068 -8.187 8.643 1.00 1.12 C ATOM 2258 C ASN A 142 10.619 -7.789 8.352 1.00 31.34 C ATOM 2259 O ASN A 142 9.830 -7.561 9.266 1.00 43.51 O ATOM 2260 CB ASN A 142 12.886 -6.952 8.972 1.00 14.44 C ATOM 2261 CG ASN A 142 14.405 -7.073 8.921 1.00 73.32 C ATOM 2262 OD1 ASN A 142 15.053 -5.976 8.585 1.00 44.41 O flip ATOM 2263 ND2 ASN A 142 15.000 -8.129 9.134 1.00 61.25 N flip ATOM 0 H ASN A 142 13.351 -8.543 7.009 1.00 62.35 H new ATOM 0 HA ASN A 142 12.075 -8.832 9.522 1.00 1.12 H new ATOM 0 HB2 ASN A 142 12.589 -6.160 8.284 1.00 14.44 H new ATOM 0 HB3 ASN A 142 12.609 -6.624 9.974 1.00 14.44 H new ATOM 0 HD21 ASN A 142 14.477 -8.966 9.393 1.00 61.25 H new ATOM 0 HD22 ASN A 142 16.016 -8.168 9.052 1.00 61.25 H new ATOM 2270 N VAL A 143 10.216 -7.786 7.087 1.00 63.13 N ATOM 2271 CA VAL A 143 8.823 -7.613 6.700 1.00 70.21 C ATOM 2272 C VAL A 143 7.998 -8.740 7.323 1.00 22.01 C ATOM 2273 O VAL A 143 6.885 -8.496 7.789 1.00 5.51 O ATOM 2274 CB VAL A 143 8.722 -7.520 5.160 1.00 22.00 C ATOM 2275 CG1 VAL A 143 7.298 -7.713 4.614 1.00 54.01 C ATOM 2276 CG2 VAL A 143 9.228 -6.145 4.695 1.00 51.42 C ATOM 0 H VAL A 143 10.851 -7.904 6.297 1.00 63.13 H new ATOM 0 HA VAL A 143 8.410 -6.678 7.079 1.00 70.21 H new ATOM 0 HB VAL A 143 9.333 -8.335 4.771 1.00 22.00 H new ATOM 0 HG11 VAL A 143 7.311 -7.634 3.527 1.00 54.01 H new ATOM 0 HG12 VAL A 143 6.928 -8.697 4.901 1.00 54.01 H new ATOM 0 HG13 VAL A 143 6.643 -6.945 5.026 1.00 54.01 H new ATOM 0 HG21 VAL A 143 9.157 -6.079 3.609 1.00 51.42 H new ATOM 0 HG22 VAL A 143 8.619 -5.362 5.147 1.00 51.42 H new ATOM 0 HG23 VAL A 143 10.267 -6.018 4.999 1.00 51.42 H new ATOM 2286 N LYS A 144 8.518 -9.974 7.389 1.00 44.13 N ATOM 2287 CA LYS A 144 7.815 -11.042 8.080 1.00 23.20 C ATOM 2288 C LYS A 144 7.726 -10.748 9.572 1.00 1.30 C ATOM 2289 O LYS A 144 6.768 -11.267 10.142 1.00 21.01 O ATOM 2290 CB LYS A 144 8.507 -12.410 7.916 1.00 52.43 C ATOM 2291 CG LYS A 144 8.303 -12.978 6.517 1.00 33.34 C ATOM 2292 CD LYS A 144 9.306 -14.117 6.259 1.00 43.45 C ATOM 2293 CE LYS A 144 10.446 -13.565 5.399 1.00 54.12 C ATOM 2294 NZ LYS A 144 10.041 -13.480 3.977 1.00 21.01 N ATOM 0 H LYS A 144 9.410 -10.246 6.976 1.00 44.13 H new ATOM 0 HA LYS A 144 6.824 -11.088 7.629 1.00 23.20 H new ATOM 0 HB2 LYS A 144 9.574 -12.305 8.115 1.00 52.43 H new ATOM 0 HB3 LYS A 144 8.113 -13.109 8.654 1.00 52.43 H new ATOM 0 HG2 LYS A 144 7.284 -13.349 6.412 1.00 33.34 H new ATOM 0 HG3 LYS A 144 8.434 -12.192 5.774 1.00 33.34 H new ATOM 0 HD2 LYS A 144 9.694 -14.503 7.202 1.00 43.45 H new ATOM 0 HD3 LYS A 144 8.815 -14.948 5.752 1.00 43.45 H new ATOM 0 HE2 LYS A 144 10.733 -12.577 5.759 1.00 54.12 H new ATOM 0 HE3 LYS A 144 11.322 -14.206 5.494 1.00 54.12 H new ATOM 0 HZ1 LYS A 144 10.888 -13.402 3.379 1.00 21.01 H new ATOM 0 HZ2 LYS A 144 9.510 -14.335 3.716 1.00 21.01 H new ATOM 0 HZ3 LYS A 144 9.440 -12.643 3.837 1.00 21.01 H new ATOM 2308 N GLU A 145 8.653 -10.020 10.218 1.00 70.32 N ATOM 2309 CA GLU A 145 8.563 -9.828 11.668 1.00 64.31 C ATOM 2310 C GLU A 145 7.457 -8.840 12.011 1.00 63.24 C ATOM 2311 O GLU A 145 6.682 -9.135 12.918 1.00 31.23 O ATOM 2312 CB GLU A 145 9.907 -9.748 12.407 1.00 43.24 C ATOM 2313 CG GLU A 145 10.455 -8.373 12.294 1.00 2.42 C ATOM 2314 CD GLU A 145 11.675 -8.049 13.198 1.00 32.34 C ATOM 2315 OE1 GLU A 145 11.890 -8.648 14.277 1.00 70.34 O ATOM 2316 OE2 GLU A 145 12.445 -7.120 12.856 1.00 22.14 O ATOM 0 H GLU A 145 9.451 -9.568 9.771 1.00 70.32 H new ATOM 0 HA GLU A 145 8.222 -10.755 12.128 1.00 64.31 H new ATOM 0 HB2 GLU A 145 9.773 -10.012 13.456 1.00 43.24 H new ATOM 0 HB3 GLU A 145 10.609 -10.466 11.984 1.00 43.24 H new ATOM 0 HG2 GLU A 145 10.741 -8.202 11.256 1.00 2.42 H new ATOM 0 HG3 GLU A 145 9.659 -7.666 12.526 1.00 2.42 H new ATOM 2323 N GLU A 146 7.302 -7.759 11.236 1.00 31.32 N ATOM 2324 CA GLU A 146 6.205 -6.798 11.357 1.00 21.11 C ATOM 2325 C GLU A 146 4.876 -7.506 11.086 1.00 45.24 C ATOM 2326 O GLU A 146 3.923 -7.422 11.863 1.00 43.42 O ATOM 2327 CB GLU A 146 6.388 -5.588 10.423 1.00 54.42 C ATOM 2328 CG GLU A 146 7.462 -4.606 10.874 1.00 61.42 C ATOM 2329 CD GLU A 146 7.128 -3.176 10.433 1.00 52.23 C ATOM 2330 OE1 GLU A 146 6.944 -2.962 9.209 1.00 11.50 O ATOM 2331 OE2 GLU A 146 6.986 -2.274 11.289 1.00 75.43 O ATOM 0 H GLU A 146 7.955 -7.525 10.488 1.00 31.32 H new ATOM 0 HA GLU A 146 6.205 -6.407 12.374 1.00 21.11 H new ATOM 0 HB2 GLU A 146 6.637 -5.948 9.425 1.00 54.42 H new ATOM 0 HB3 GLU A 146 5.439 -5.059 10.343 1.00 54.42 H new ATOM 0 HG2 GLU A 146 7.558 -4.641 11.959 1.00 61.42 H new ATOM 0 HG3 GLU A 146 8.426 -4.901 10.459 1.00 61.42 H new ATOM 2338 N ASN A 147 4.838 -8.291 10.003 1.00 70.43 N ATOM 2339 CA ASN A 147 3.655 -9.063 9.616 1.00 51.33 C ATOM 2340 C ASN A 147 3.218 -10.080 10.668 1.00 31.22 C ATOM 2341 O ASN A 147 2.136 -10.653 10.534 1.00 10.03 O ATOM 2342 CB ASN A 147 3.951 -9.874 8.343 1.00 73.12 C ATOM 2343 CG ASN A 147 3.945 -9.077 7.067 1.00 11.00 C ATOM 2344 OD1 ASN A 147 3.694 -7.888 7.073 1.00 50.45 O ATOM 2345 ND2 ASN A 147 4.181 -9.733 5.943 1.00 10.23 N ATOM 0 H ASN A 147 5.629 -8.408 9.370 1.00 70.43 H new ATOM 0 HA ASN A 147 2.865 -8.325 9.477 1.00 51.33 H new ATOM 0 HB2 ASN A 147 4.925 -10.350 8.452 1.00 73.12 H new ATOM 0 HB3 ASN A 147 3.214 -10.672 8.259 1.00 73.12 H new ATOM 0 HD21 ASN A 147 4.155 -9.241 5.050 1.00 10.23 H new ATOM 0 HD22 ASN A 147 4.389 -10.731 5.969 1.00 10.23 H new ATOM 2352 N ALA A 148 4.069 -10.437 11.627 1.00 12.44 N ATOM 2353 CA ALA A 148 3.690 -11.335 12.697 1.00 63.13 C ATOM 2354 C ALA A 148 2.809 -10.592 13.697 1.00 5.11 C ATOM 2355 O ALA A 148 1.736 -11.093 14.012 1.00 73.45 O ATOM 2356 CB ALA A 148 4.943 -11.932 13.333 1.00 51.34 C ATOM 0 H ALA A 148 5.034 -10.110 11.678 1.00 12.44 H new ATOM 0 HA ALA A 148 3.103 -12.168 12.310 1.00 63.13 H new ATOM 0 HB1 ALA A 148 4.656 -12.608 14.138 1.00 51.34 H new ATOM 0 HB2 ALA A 148 5.506 -12.484 12.580 1.00 51.34 H new ATOM 0 HB3 ALA A 148 5.564 -11.131 13.735 1.00 51.34 H new ATOM 2362 N ALA A 149 3.209 -9.382 14.103 1.00 53.35 N ATOM 2363 CA ALA A 149 2.456 -8.570 15.052 1.00 73.12 C ATOM 2364 C ALA A 149 1.026 -8.370 14.555 1.00 43.24 C ATOM 2365 O ALA A 149 0.080 -8.709 15.262 1.00 23.32 O ATOM 2366 CB ALA A 149 3.172 -7.238 15.292 1.00 51.45 C ATOM 0 H ALA A 149 4.069 -8.941 13.778 1.00 53.35 H new ATOM 0 HA ALA A 149 2.401 -9.089 16.009 1.00 73.12 H new ATOM 0 HB1 ALA A 149 2.600 -6.640 16.002 1.00 51.45 H new ATOM 0 HB2 ALA A 149 4.167 -7.427 15.695 1.00 51.45 H new ATOM 0 HB3 ALA A 149 3.259 -6.697 14.350 1.00 51.45 H new ATOM 2372 N PHE A 150 0.874 -7.904 13.308 1.00 11.32 N ATOM 2373 CA PHE A 150 -0.435 -7.685 12.696 1.00 2.41 C ATOM 2374 C PHE A 150 -1.316 -8.928 12.862 1.00 53.23 C ATOM 2375 O PHE A 150 -2.454 -8.845 13.325 1.00 32.11 O ATOM 2376 CB PHE A 150 -0.275 -7.318 11.207 1.00 23.14 C ATOM 2377 CG PHE A 150 -1.603 -7.078 10.506 1.00 50.05 C ATOM 2378 CD1 PHE A 150 -2.413 -8.163 10.110 1.00 2.30 C ATOM 2379 CD2 PHE A 150 -2.075 -5.766 10.319 1.00 33.31 C ATOM 2380 CE1 PHE A 150 -3.695 -7.940 9.582 1.00 5.40 C ATOM 2381 CE2 PHE A 150 -3.362 -5.551 9.796 1.00 13.43 C ATOM 2382 CZ PHE A 150 -4.172 -6.633 9.425 1.00 32.10 C ATOM 0 H PHE A 150 1.658 -7.670 12.699 1.00 11.32 H new ATOM 0 HA PHE A 150 -0.924 -6.852 13.201 1.00 2.41 H new ATOM 0 HB2 PHE A 150 0.340 -6.422 11.124 1.00 23.14 H new ATOM 0 HB3 PHE A 150 0.259 -8.120 10.697 1.00 23.14 H new ATOM 0 HD1 PHE A 150 -2.044 -9.173 10.214 1.00 2.30 H new ATOM 0 HD2 PHE A 150 -1.449 -4.925 10.577 1.00 33.31 H new ATOM 0 HE1 PHE A 150 -4.314 -8.778 9.297 1.00 5.40 H new ATOM 0 HE2 PHE A 150 -3.730 -4.542 9.679 1.00 13.43 H new ATOM 0 HZ PHE A 150 -5.158 -6.460 9.020 1.00 32.10 H new ATOM 2392 N LYS A 151 -0.804 -10.092 12.445 1.00 23.22 N ATOM 2393 CA LYS A 151 -1.578 -11.326 12.425 1.00 1.14 C ATOM 2394 C LYS A 151 -1.761 -11.938 13.816 1.00 33.23 C ATOM 2395 O LYS A 151 -2.564 -12.861 13.955 1.00 4.34 O ATOM 2396 CB LYS A 151 -0.988 -12.294 11.390 1.00 65.34 C ATOM 2397 CG LYS A 151 0.069 -13.242 11.960 1.00 74.13 C ATOM 2398 CD LYS A 151 0.507 -14.268 10.919 1.00 42.13 C ATOM 2399 CE LYS A 151 1.399 -13.651 9.838 1.00 43.12 C ATOM 2400 NZ LYS A 151 2.826 -13.884 10.123 1.00 51.01 N ATOM 0 H LYS A 151 0.155 -10.199 12.114 1.00 23.22 H new ATOM 0 HA LYS A 151 -2.594 -11.092 12.108 1.00 1.14 H new ATOM 0 HB2 LYS A 151 -1.796 -12.884 10.957 1.00 65.34 H new ATOM 0 HB3 LYS A 151 -0.545 -11.717 10.579 1.00 65.34 H new ATOM 0 HG2 LYS A 151 0.933 -12.668 12.295 1.00 74.13 H new ATOM 0 HG3 LYS A 151 -0.332 -13.755 12.834 1.00 74.13 H new ATOM 0 HD2 LYS A 151 1.045 -15.077 11.413 1.00 42.13 H new ATOM 0 HD3 LYS A 151 -0.374 -14.709 10.453 1.00 42.13 H new ATOM 0 HE2 LYS A 151 1.146 -14.078 8.867 1.00 43.12 H new ATOM 0 HE3 LYS A 151 1.209 -12.580 9.775 1.00 43.12 H new ATOM 0 HZ1 LYS A 151 3.383 -13.068 9.797 1.00 51.01 H new ATOM 0 HZ2 LYS A 151 2.960 -14.007 11.147 1.00 51.01 H new ATOM 0 HZ3 LYS A 151 3.144 -14.741 9.627 1.00 51.01 H new ATOM 2414 N GLU A 152 -1.026 -11.496 14.833 1.00 21.40 N ATOM 2415 CA GLU A 152 -1.244 -11.960 16.194 1.00 73.35 C ATOM 2416 C GLU A 152 -2.398 -11.180 16.839 1.00 30.54 C ATOM 2417 O GLU A 152 -3.076 -11.702 17.726 1.00 61.53 O ATOM 2418 CB GLU A 152 0.049 -11.821 17.009 1.00 12.43 C ATOM 2419 CG GLU A 152 0.191 -12.971 18.017 1.00 74.14 C ATOM 2420 CD GLU A 152 0.694 -12.482 19.366 1.00 30.42 C ATOM 2421 OE1 GLU A 152 1.900 -12.210 19.512 1.00 10.01 O ATOM 2422 OE2 GLU A 152 -0.144 -12.412 20.298 1.00 41.42 O ATOM 0 H GLU A 152 -0.273 -10.815 14.736 1.00 21.40 H new ATOM 0 HA GLU A 152 -1.520 -13.014 16.176 1.00 73.35 H new ATOM 0 HB2 GLU A 152 0.907 -11.814 16.337 1.00 12.43 H new ATOM 0 HB3 GLU A 152 0.049 -10.868 17.537 1.00 12.43 H new ATOM 0 HG2 GLU A 152 -0.773 -13.463 18.145 1.00 74.14 H new ATOM 0 HG3 GLU A 152 0.879 -13.718 17.622 1.00 74.14 H new ATOM 2429 N ILE A 153 -2.614 -9.935 16.404 1.00 31.33 N ATOM 2430 CA ILE A 153 -3.609 -9.013 16.935 1.00 64.32 C ATOM 2431 C ILE A 153 -4.922 -9.203 16.163 1.00 22.52 C ATOM 2432 O ILE A 153 -5.949 -9.535 16.765 1.00 1.11 O ATOM 2433 CB ILE A 153 -3.045 -7.574 16.875 1.00 51.43 C ATOM 2434 CG1 ILE A 153 -1.735 -7.474 17.702 1.00 30.30 C ATOM 2435 CG2 ILE A 153 -4.056 -6.527 17.381 1.00 43.33 C ATOM 2436 CD1 ILE A 153 -0.955 -6.172 17.489 1.00 64.43 C ATOM 0 H ILE A 153 -2.074 -9.530 15.639 1.00 31.33 H new ATOM 0 HA ILE A 153 -3.831 -9.214 17.983 1.00 64.32 H new ATOM 0 HB ILE A 153 -2.839 -7.357 15.827 1.00 51.43 H new ATOM 0 HG12 ILE A 153 -1.978 -7.569 18.760 1.00 30.30 H new ATOM 0 HG13 ILE A 153 -1.092 -8.316 17.446 1.00 30.30 H new ATOM 0 HG21 ILE A 153 -3.613 -5.533 17.319 1.00 43.33 H new ATOM 0 HG22 ILE A 153 -4.955 -6.562 16.766 1.00 43.33 H new ATOM 0 HG23 ILE A 153 -4.317 -6.744 18.417 1.00 43.33 H new ATOM 0 HD11 ILE A 153 -0.054 -6.183 18.103 1.00 64.43 H new ATOM 0 HD12 ILE A 153 -0.677 -6.082 16.439 1.00 64.43 H new ATOM 0 HD13 ILE A 153 -1.578 -5.324 17.774 1.00 64.43 H new ATOM 2448 N HIS A 154 -4.919 -8.987 14.845 1.00 52.01 N ATOM 2449 CA HIS A 154 -6.109 -9.020 13.993 1.00 63.43 C ATOM 2450 C HIS A 154 -5.806 -9.711 12.648 1.00 2.13 C ATOM 2451 O HIS A 154 -5.683 -9.043 11.619 1.00 31.24 O ATOM 2452 CB HIS A 154 -6.733 -7.615 13.870 1.00 1.42 C ATOM 2453 CG HIS A 154 -5.763 -6.472 13.683 1.00 11.23 C ATOM 2454 ND1 HIS A 154 -5.749 -5.314 14.413 1.00 54.25 N flip ATOM 2455 CD2 HIS A 154 -4.708 -6.420 12.799 1.00 10.31 C flip ATOM 2456 CE1 HIS A 154 -4.686 -4.538 13.953 1.00 5.14 C flip ATOM 2457 NE2 HIS A 154 -4.062 -5.260 13.010 1.00 1.23 N flip ATOM 0 H HIS A 154 -4.065 -8.779 14.328 1.00 52.01 H new ATOM 0 HA HIS A 154 -6.876 -9.636 14.462 1.00 63.43 H new ATOM 0 HB2 HIS A 154 -7.425 -7.619 13.028 1.00 1.42 H new ATOM 0 HB3 HIS A 154 -7.323 -7.422 14.766 1.00 1.42 H new ATOM 0 HD2 HIS A 154 -4.447 -7.173 12.070 1.00 10.31 H new ATOM 0 HE1 HIS A 154 -4.417 -3.548 14.290 1.00 5.14 H new ATOM 0 HE2 HIS A 154 -3.215 -4.969 12.521 1.00 1.23 H new ATOM 2465 N PRO A 155 -5.669 -11.049 12.637 1.00 65.55 N ATOM 2466 CA PRO A 155 -5.508 -11.828 11.412 1.00 2.01 C ATOM 2467 C PRO A 155 -6.792 -11.866 10.588 1.00 72.33 C ATOM 2468 O PRO A 155 -7.905 -11.818 11.156 1.00 3.43 O ATOM 2469 CB PRO A 155 -5.120 -13.232 11.877 1.00 22.14 C ATOM 2470 CG PRO A 155 -5.750 -13.344 13.265 1.00 72.44 C ATOM 2471 CD PRO A 155 -5.662 -11.920 13.808 1.00 34.32 C ATOM 0 HA PRO A 155 -4.754 -11.385 10.761 1.00 2.01 H new ATOM 0 HB2 PRO A 155 -5.502 -13.997 11.201 1.00 22.14 H new ATOM 0 HB3 PRO A 155 -4.038 -13.355 11.918 1.00 22.14 H new ATOM 0 HG2 PRO A 155 -6.782 -13.691 13.211 1.00 72.44 H new ATOM 0 HG3 PRO A 155 -5.209 -14.049 13.896 1.00 72.44 H new ATOM 0 HD2 PRO A 155 -6.503 -11.699 14.465 1.00 34.32 H new ATOM 0 HD3 PRO A 155 -4.754 -11.780 14.394 1.00 34.32 H new TER 2479 PRO A 155