USER MOD reduce.3.24.130724 H: found=0, std=0, add=1213, rem=0, adj=39 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 : amide:sc= 0.197 K(o=0.57,f=-0.23) USER MOD Set 1.2: A 142 ASN : amide:sc= 0.374 K(o=0.57,f=-0.71) USER MOD Set 2.1: A 74 GLN : amide:sc= 1.03 K(o=2.3,f=-3.8) USER MOD Set 2.2: A 98 TYR OH : rot 32:sc= 1.25 USER MOD Set 3.1: A 55 THR OG1 : rot -60:sc= 0.95 USER MOD Set 3.2: A 58 LYS NZ :NH3+ -174:sc= 1.14 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 169:sc= 0.793 (180deg=0.631) 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 USER MOD Single : A 8 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.66) USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0.808 (180deg=0.739) 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 21 THR OG1 : rot -7:sc= 1.18 USER MOD Single : A 22 SER OG : rot -45:sc= 0.00152 USER MOD Single : A 23 SER OG : rot 47:sc= 0.818 USER MOD Single : A 27 GLN : amide:sc= 1.82 K(o=1.8,f=-7.4!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 11:sc= 0.571 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 0.322 (180deg=0.305) USER MOD Single : A 37 THR OG1 : rot -58:sc= 0.199 USER MOD Single : A 40 THR OG1 : rot 94:sc= 0.0422 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -140:sc= -0.573 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -163:sc= -0.279 (180deg=-0.695) USER MOD Single : A 68 LYS NZ :NH3+ -131:sc= 0.0653 (180deg=-0.0657) USER MOD Single : A 73 THR OG1 : rot 103:sc= 0.0896 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.184 X(o=0.18,f=-0.14) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 92 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00663) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.26) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot -95:sc= 0.292 USER MOD Single : A 122 CYS SG : rot 155:sc= -0.335! USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 74:sc= 0.7 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 170:sc= 0.00533 USER MOD Single : A 141 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.21) USER MOD Single : A 144 LYS NZ :NH3+ -153:sc= 0.0106 (180deg=-0.287) USER MOD Single : A 147 ASN : amide:sc= 1.24 K(o=1.2,f=-8.5!) USER MOD Single : A 151 LYS NZ :NH3+ -116:sc= -0.908 (180deg=-2.36!) USER MOD Single : A 154 HIS : no HE2:sc= 0.13 K(o=0.13,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.294 -12.849 10.076 1.00 55.34 N ATOM 2 CA GLY A 1 -22.693 -14.084 9.392 1.00 31.13 C ATOM 3 C GLY A 1 -21.470 -14.761 8.803 1.00 52.02 C ATOM 4 O GLY A 1 -20.446 -14.858 9.484 1.00 20.15 O ATOM 0 H1 GLY A 1 -23.141 -12.295 10.315 1.00 55.34 H new ATOM 0 H2 GLY A 1 -21.778 -13.086 10.947 1.00 55.34 H new ATOM 0 H3 GLY A 1 -21.679 -12.289 9.451 1.00 55.34 H new ATOM 0 HA2 GLY A 1 -23.190 -14.755 10.093 1.00 31.13 H new ATOM 0 HA3 GLY A 1 -23.411 -13.859 8.603 1.00 31.13 H new ATOM 8 N ASP A 2 -21.569 -15.253 7.561 1.00 40.32 N ATOM 9 CA ASP A 2 -20.470 -15.958 6.905 1.00 4.04 C ATOM 10 C ASP A 2 -20.317 -15.523 5.443 1.00 63.40 C ATOM 11 O ASP A 2 -19.427 -14.716 5.164 1.00 1.25 O ATOM 12 CB ASP A 2 -20.592 -17.478 7.111 1.00 4.14 C ATOM 13 CG ASP A 2 -19.261 -18.035 7.600 1.00 43.33 C ATOM 14 OD1 ASP A 2 -18.254 -17.924 6.865 1.00 20.24 O ATOM 15 OD2 ASP A 2 -19.191 -18.570 8.725 1.00 34.51 O ATOM 0 H ASP A 2 -22.410 -15.172 6.989 1.00 40.32 H new ATOM 0 HA ASP A 2 -19.531 -15.674 7.381 1.00 4.04 H new ATOM 0 HB2 ASP A 2 -21.377 -17.695 7.835 1.00 4.14 H new ATOM 0 HB3 ASP A 2 -20.878 -17.960 6.176 1.00 4.14 H new ATOM 20 N SER A 3 -21.170 -15.989 4.516 1.00 12.03 N ATOM 21 CA SER A 3 -21.088 -15.610 3.098 1.00 61.30 C ATOM 22 C SER A 3 -21.391 -14.114 2.920 1.00 13.13 C ATOM 23 O SER A 3 -20.549 -13.353 2.439 1.00 41.03 O ATOM 24 CB SER A 3 -22.067 -16.409 2.225 1.00 23.52 C ATOM 25 OG SER A 3 -22.126 -17.806 2.443 1.00 31.14 O ATOM 0 H SER A 3 -21.931 -16.635 4.728 1.00 12.03 H new ATOM 0 HA SER A 3 -20.070 -15.833 2.778 1.00 61.30 H new ATOM 0 HB2 SER A 3 -23.066 -16.000 2.374 1.00 23.52 H new ATOM 0 HB3 SER A 3 -21.806 -16.239 1.180 1.00 23.52 H new ATOM 0 HG SER A 3 -22.782 -18.205 1.834 1.00 31.14 H new ATOM 31 N GLU A 4 -22.599 -13.717 3.347 1.00 35.12 N ATOM 32 CA GLU A 4 -23.074 -12.342 3.451 1.00 20.43 C ATOM 33 C GLU A 4 -22.949 -11.538 2.145 1.00 72.25 C ATOM 34 O GLU A 4 -22.913 -12.111 1.048 1.00 1.31 O ATOM 35 CB GLU A 4 -22.474 -11.681 4.706 1.00 21.41 C ATOM 36 CG GLU A 4 -23.042 -12.324 5.976 1.00 14.15 C ATOM 37 CD GLU A 4 -22.569 -11.590 7.225 1.00 21.54 C ATOM 38 OE1 GLU A 4 -21.432 -11.837 7.673 1.00 22.33 O ATOM 39 OE2 GLU A 4 -23.347 -10.819 7.825 1.00 22.20 O ATOM 0 H GLU A 4 -23.305 -14.390 3.644 1.00 35.12 H new ATOM 0 HA GLU A 4 -24.155 -12.354 3.594 1.00 20.43 H new ATOM 0 HB2 GLU A 4 -21.389 -11.783 4.694 1.00 21.41 H new ATOM 0 HB3 GLU A 4 -22.694 -10.613 4.702 1.00 21.41 H new ATOM 0 HG2 GLU A 4 -24.131 -12.314 5.936 1.00 14.15 H new ATOM 0 HG3 GLU A 4 -22.735 -13.369 6.027 1.00 14.15 H new ATOM 46 N LEU A 5 -23.035 -10.206 2.256 1.00 13.20 N ATOM 47 CA LEU A 5 -22.890 -9.214 1.191 1.00 61.25 C ATOM 48 C LEU A 5 -24.135 -9.162 0.296 1.00 40.11 C ATOM 49 O LEU A 5 -25.142 -9.821 0.568 1.00 52.33 O ATOM 50 CB LEU A 5 -21.588 -9.485 0.393 1.00 41.31 C ATOM 51 CG LEU A 5 -20.836 -8.224 -0.070 1.00 1.01 C ATOM 52 CD1 LEU A 5 -20.128 -7.552 1.114 1.00 34.41 C ATOM 53 CD2 LEU A 5 -19.787 -8.602 -1.120 1.00 15.34 C ATOM 0 H LEU A 5 -23.221 -9.766 3.157 1.00 13.20 H new ATOM 0 HA LEU A 5 -22.804 -8.224 1.638 1.00 61.25 H new ATOM 0 HB2 LEU A 5 -20.918 -10.083 1.011 1.00 41.31 H new ATOM 0 HB3 LEU A 5 -21.834 -10.085 -0.483 1.00 41.31 H new ATOM 0 HG LEU A 5 -21.562 -7.531 -0.497 1.00 1.01 H new ATOM 0 HD11 LEU A 5 -19.602 -6.663 0.766 1.00 34.41 H new ATOM 0 HD12 LEU A 5 -20.865 -7.267 1.865 1.00 34.41 H new ATOM 0 HD13 LEU A 5 -19.413 -8.248 1.553 1.00 34.41 H new ATOM 0 HD21 LEU A 5 -19.258 -7.706 -1.444 1.00 15.34 H new ATOM 0 HD22 LEU A 5 -19.077 -9.307 -0.687 1.00 15.34 H new ATOM 0 HD23 LEU A 5 -20.279 -9.063 -1.977 1.00 15.34 H new ATOM 65 N THR A 6 -24.084 -8.324 -0.734 1.00 21.13 N ATOM 66 CA THR A 6 -24.929 -8.290 -1.918 1.00 74.24 C ATOM 67 C THR A 6 -24.244 -7.281 -2.852 1.00 73.55 C ATOM 68 O THR A 6 -23.527 -6.392 -2.375 1.00 73.34 O ATOM 69 CB THR A 6 -26.388 -7.922 -1.558 1.00 12.11 C ATOM 70 OG1 THR A 6 -27.175 -7.777 -2.724 1.00 55.33 O ATOM 71 CG2 THR A 6 -26.516 -6.633 -0.731 1.00 55.44 C ATOM 0 H THR A 6 -23.384 -7.583 -0.761 1.00 21.13 H new ATOM 0 HA THR A 6 -25.022 -9.260 -2.406 1.00 74.24 H new ATOM 0 HB THR A 6 -26.745 -8.751 -0.947 1.00 12.11 H new ATOM 0 HG1 THR A 6 -28.094 -7.546 -2.472 1.00 55.33 H new ATOM 0 HG21 THR A 6 -27.567 -6.441 -0.518 1.00 55.44 H new ATOM 0 HG22 THR A 6 -25.970 -6.746 0.206 1.00 55.44 H new ATOM 0 HG23 THR A 6 -26.101 -5.797 -1.294 1.00 55.44 H new ATOM 79 N THR A 7 -24.413 -7.417 -4.166 1.00 41.01 N ATOM 80 CA THR A 7 -23.604 -6.713 -5.157 1.00 21.54 C ATOM 81 C THR A 7 -24.483 -6.360 -6.364 1.00 2.34 C ATOM 82 O THR A 7 -25.121 -7.252 -6.928 1.00 54.04 O ATOM 83 CB THR A 7 -22.399 -7.612 -5.520 1.00 1.04 C ATOM 84 OG1 THR A 7 -22.770 -8.973 -5.647 1.00 3.24 O ATOM 85 CG2 THR A 7 -21.317 -7.590 -4.433 1.00 32.44 C ATOM 0 H THR A 7 -25.122 -8.025 -4.576 1.00 41.01 H new ATOM 0 HA THR A 7 -23.211 -5.773 -4.770 1.00 21.54 H new ATOM 0 HB THR A 7 -22.028 -7.209 -6.462 1.00 1.04 H new ATOM 0 HG1 THR A 7 -21.981 -9.507 -5.878 1.00 3.24 H new ATOM 0 HG21 THR A 7 -20.490 -8.235 -4.730 1.00 32.44 H new ATOM 0 HG22 THR A 7 -20.953 -6.571 -4.302 1.00 32.44 H new ATOM 0 HG23 THR A 7 -21.738 -7.949 -3.494 1.00 32.44 H new ATOM 93 N GLN A 8 -24.550 -5.079 -6.746 1.00 52.22 N ATOM 94 CA GLN A 8 -25.440 -4.566 -7.787 1.00 24.34 C ATOM 95 C GLN A 8 -24.601 -3.934 -8.901 1.00 55.23 C ATOM 96 O GLN A 8 -24.437 -4.565 -9.950 1.00 54.01 O ATOM 97 CB GLN A 8 -26.490 -3.621 -7.171 1.00 53.22 C ATOM 98 CG GLN A 8 -27.817 -3.577 -7.946 1.00 44.33 C ATOM 99 CD GLN A 8 -27.649 -3.205 -9.417 1.00 31.43 C ATOM 100 OE1 GLN A 8 -27.038 -2.199 -9.755 1.00 55.24 O ATOM 101 NE2 GLN A 8 -28.158 -4.018 -10.327 1.00 44.05 N ATOM 0 H GLN A 8 -23.969 -4.353 -6.326 1.00 52.22 H new ATOM 0 HA GLN A 8 -26.009 -5.374 -8.247 1.00 24.34 H new ATOM 0 HB2 GLN A 8 -26.689 -3.933 -6.146 1.00 53.22 H new ATOM 0 HB3 GLN A 8 -26.075 -2.614 -7.123 1.00 53.22 H new ATOM 0 HG2 GLN A 8 -28.301 -4.551 -7.878 1.00 44.33 H new ATOM 0 HG3 GLN A 8 -28.483 -2.857 -7.471 1.00 44.33 H new ATOM 0 HE21 GLN A 8 -28.666 -4.854 -10.037 1.00 44.05 H new ATOM 0 HE22 GLN A 8 -28.043 -3.809 -11.319 1.00 44.05 H new ATOM 110 N ASP A 9 -23.986 -2.768 -8.674 1.00 51.24 N ATOM 111 CA ASP A 9 -23.199 -2.031 -9.668 1.00 43.23 C ATOM 112 C ASP A 9 -21.961 -1.412 -9.018 1.00 20.50 C ATOM 113 O ASP A 9 -21.971 -0.263 -8.557 1.00 60.45 O ATOM 114 CB ASP A 9 -24.030 -0.961 -10.383 1.00 2.24 C ATOM 115 CG ASP A 9 -23.146 -0.163 -11.342 1.00 72.12 C ATOM 116 OD1 ASP A 9 -22.288 -0.769 -12.021 1.00 63.32 O ATOM 117 OD2 ASP A 9 -23.291 1.077 -11.421 1.00 20.12 O ATOM 0 H ASP A 9 -24.023 -2.299 -7.769 1.00 51.24 H new ATOM 0 HA ASP A 9 -22.878 -2.746 -10.425 1.00 43.23 H new ATOM 0 HB2 ASP A 9 -24.846 -1.430 -10.933 1.00 2.24 H new ATOM 0 HB3 ASP A 9 -24.483 -0.292 -9.651 1.00 2.24 H new ATOM 122 N GLY A 10 -20.904 -2.219 -8.968 1.00 60.54 N ATOM 123 CA GLY A 10 -19.623 -1.917 -8.345 1.00 34.40 C ATOM 124 C GLY A 10 -19.721 -2.086 -6.837 1.00 13.34 C ATOM 125 O GLY A 10 -20.679 -1.620 -6.215 1.00 13.24 O ATOM 0 H GLY A 10 -20.922 -3.150 -9.384 1.00 60.54 H new ATOM 0 HA2 GLY A 10 -18.852 -2.577 -8.743 1.00 34.40 H new ATOM 0 HA3 GLY A 10 -19.325 -0.897 -8.586 1.00 34.40 H new ATOM 129 N GLU A 11 -18.751 -2.785 -6.252 1.00 35.53 N ATOM 130 CA GLU A 11 -18.682 -2.961 -4.810 1.00 61.11 C ATOM 131 C GLU A 11 -18.423 -1.598 -4.163 1.00 24.14 C ATOM 132 O GLU A 11 -17.888 -0.684 -4.803 1.00 23.33 O ATOM 133 CB GLU A 11 -17.568 -3.959 -4.480 1.00 43.21 C ATOM 134 CG GLU A 11 -17.759 -4.629 -3.130 1.00 72.41 C ATOM 135 CD GLU A 11 -16.686 -5.689 -2.886 1.00 54.13 C ATOM 136 OE1 GLU A 11 -15.490 -5.330 -2.777 1.00 22.53 O ATOM 137 OE2 GLU A 11 -17.015 -6.878 -2.705 1.00 75.31 O ATOM 0 H GLU A 11 -17.996 -3.242 -6.764 1.00 35.53 H new ATOM 0 HA GLU A 11 -19.619 -3.358 -4.420 1.00 61.11 H new ATOM 0 HB2 GLU A 11 -17.528 -4.722 -5.257 1.00 43.21 H new ATOM 0 HB3 GLU A 11 -16.608 -3.442 -4.492 1.00 43.21 H new ATOM 0 HG2 GLU A 11 -17.721 -3.879 -2.340 1.00 72.41 H new ATOM 0 HG3 GLU A 11 -18.746 -5.089 -3.085 1.00 72.41 H new ATOM 144 N ASP A 12 -18.796 -1.441 -2.898 1.00 41.34 N ATOM 145 CA ASP A 12 -18.684 -0.148 -2.238 1.00 35.24 C ATOM 146 C ASP A 12 -17.242 0.203 -1.878 1.00 44.14 C ATOM 147 O ASP A 12 -16.417 -0.689 -1.664 1.00 32.44 O ATOM 148 CB ASP A 12 -19.506 -0.135 -0.955 1.00 64.12 C ATOM 149 CG ASP A 12 -19.634 1.297 -0.460 1.00 53.23 C ATOM 150 OD1 ASP A 12 -19.912 2.196 -1.282 1.00 63.45 O ATOM 151 OD2 ASP A 12 -19.363 1.525 0.735 1.00 34.43 O ATOM 0 H ASP A 12 -19.175 -2.186 -2.314 1.00 41.34 H new ATOM 0 HA ASP A 12 -19.057 0.590 -2.948 1.00 35.24 H new ATOM 0 HB2 ASP A 12 -20.493 -0.560 -1.137 1.00 64.12 H new ATOM 0 HB3 ASP A 12 -19.028 -0.754 -0.196 1.00 64.12 H new ATOM 156 N PHE A 13 -16.956 1.499 -1.716 1.00 73.55 N ATOM 157 CA PHE A 13 -15.678 1.971 -1.201 1.00 62.11 C ATOM 158 C PHE A 13 -15.433 1.407 0.209 1.00 52.31 C ATOM 159 O PHE A 13 -14.379 0.831 0.478 1.00 23.25 O ATOM 160 CB PHE A 13 -15.592 3.511 -1.247 1.00 31.33 C ATOM 161 CG PHE A 13 -16.342 4.217 -0.131 1.00 1.43 C ATOM 162 CD1 PHE A 13 -17.739 4.364 -0.200 1.00 44.01 C ATOM 163 CD2 PHE A 13 -15.663 4.585 1.048 1.00 31.40 C ATOM 164 CE1 PHE A 13 -18.459 4.820 0.916 1.00 33.14 C ATOM 165 CE2 PHE A 13 -16.382 5.053 2.160 1.00 15.42 C ATOM 166 CZ PHE A 13 -17.782 5.162 2.099 1.00 31.52 C ATOM 0 H PHE A 13 -17.610 2.248 -1.941 1.00 73.55 H new ATOM 0 HA PHE A 13 -14.879 1.601 -1.844 1.00 62.11 H new ATOM 0 HB2 PHE A 13 -14.543 3.805 -1.206 1.00 31.33 H new ATOM 0 HB3 PHE A 13 -15.982 3.856 -2.205 1.00 31.33 H new ATOM 0 HD1 PHE A 13 -18.260 4.125 -1.115 1.00 44.01 H new ATOM 0 HD2 PHE A 13 -14.587 4.507 1.096 1.00 31.40 H new ATOM 0 HE1 PHE A 13 -19.534 4.908 0.865 1.00 33.14 H new ATOM 0 HE2 PHE A 13 -15.858 5.330 3.063 1.00 15.42 H new ATOM 0 HZ PHE A 13 -18.336 5.508 2.959 1.00 31.52 H new ATOM 176 N LYS A 14 -16.401 1.537 1.126 1.00 61.52 N ATOM 177 CA LYS A 14 -16.198 1.127 2.509 1.00 2.00 C ATOM 178 C LYS A 14 -16.175 -0.393 2.586 1.00 3.01 C ATOM 179 O LYS A 14 -15.408 -0.917 3.390 1.00 35.21 O ATOM 180 CB LYS A 14 -17.267 1.741 3.430 1.00 55.34 C ATOM 181 CG LYS A 14 -16.719 2.224 4.788 1.00 31.22 C ATOM 182 CD LYS A 14 -16.056 1.119 5.628 1.00 35.41 C ATOM 183 CE LYS A 14 -15.980 1.517 7.110 1.00 20.12 C ATOM 184 NZ LYS A 14 -16.000 0.351 8.022 1.00 64.30 N ATOM 0 H LYS A 14 -17.325 1.921 0.930 1.00 61.52 H new ATOM 0 HA LYS A 14 -15.237 1.500 2.862 1.00 2.00 H new ATOM 0 HB2 LYS A 14 -17.734 2.582 2.918 1.00 55.34 H new ATOM 0 HB3 LYS A 14 -18.048 1.002 3.607 1.00 55.34 H new ATOM 0 HG2 LYS A 14 -15.992 3.017 4.613 1.00 31.22 H new ATOM 0 HG3 LYS A 14 -17.536 2.661 5.362 1.00 31.22 H new ATOM 0 HD2 LYS A 14 -16.621 0.193 5.526 1.00 35.41 H new ATOM 0 HD3 LYS A 14 -15.053 0.923 5.249 1.00 35.41 H new ATOM 0 HE2 LYS A 14 -15.068 2.090 7.281 1.00 20.12 H new ATOM 0 HE3 LYS A 14 -16.818 2.173 7.348 1.00 20.12 H new ATOM 0 HZ1 LYS A 14 -15.828 0.670 8.997 1.00 64.30 H new ATOM 0 HZ2 LYS A 14 -16.928 -0.115 7.969 1.00 64.30 H new ATOM 0 HZ3 LYS A 14 -15.258 -0.322 7.742 1.00 64.30 H new ATOM 198 N SER A 15 -16.926 -1.089 1.719 1.00 33.24 N ATOM 199 CA SER A 15 -16.897 -2.543 1.617 1.00 63.54 C ATOM 200 C SER A 15 -15.443 -3.014 1.562 1.00 72.40 C ATOM 201 O SER A 15 -15.023 -3.827 2.394 1.00 72.52 O ATOM 202 CB SER A 15 -17.676 -3.049 0.384 1.00 12.04 C ATOM 203 OG SER A 15 -17.784 -4.456 0.439 1.00 35.43 O ATOM 0 H SER A 15 -17.574 -0.648 1.066 1.00 33.24 H new ATOM 0 HA SER A 15 -17.387 -2.959 2.497 1.00 63.54 H new ATOM 0 HB2 SER A 15 -18.668 -2.598 0.358 1.00 12.04 H new ATOM 0 HB3 SER A 15 -17.165 -2.748 -0.531 1.00 12.04 H new ATOM 0 HG SER A 15 -18.280 -4.777 -0.343 1.00 35.43 H new ATOM 209 N PHE A 16 -14.672 -2.505 0.595 1.00 43.31 N ATOM 210 CA PHE A 16 -13.302 -2.952 0.426 1.00 51.31 C ATOM 211 C PHE A 16 -12.396 -2.388 1.513 1.00 43.20 C ATOM 212 O PHE A 16 -11.602 -3.142 2.080 1.00 2.21 O ATOM 213 CB PHE A 16 -12.785 -2.647 -0.983 1.00 51.44 C ATOM 214 CG PHE A 16 -12.151 -1.288 -1.234 1.00 14.41 C ATOM 215 CD1 PHE A 16 -10.799 -1.080 -0.908 1.00 74.30 C ATOM 216 CD2 PHE A 16 -12.876 -0.252 -1.845 1.00 40.33 C ATOM 217 CE1 PHE A 16 -10.176 0.144 -1.201 1.00 75.43 C ATOM 218 CE2 PHE A 16 -12.250 0.967 -2.163 1.00 21.34 C ATOM 219 CZ PHE A 16 -10.900 1.166 -1.836 1.00 71.32 C ATOM 0 H PHE A 16 -14.976 -1.793 -0.070 1.00 43.31 H new ATOM 0 HA PHE A 16 -13.287 -4.036 0.537 1.00 51.31 H new ATOM 0 HB2 PHE A 16 -12.051 -3.410 -1.241 1.00 51.44 H new ATOM 0 HB3 PHE A 16 -13.619 -2.759 -1.676 1.00 51.44 H new ATOM 0 HD1 PHE A 16 -10.236 -1.867 -0.429 1.00 74.30 H new ATOM 0 HD2 PHE A 16 -13.922 -0.392 -2.073 1.00 40.33 H new ATOM 0 HE1 PHE A 16 -9.140 0.299 -0.938 1.00 75.43 H new ATOM 0 HE2 PHE A 16 -12.808 1.748 -2.658 1.00 21.34 H new ATOM 0 HZ PHE A 16 -10.419 2.103 -2.072 1.00 71.32 H new ATOM 229 N LEU A 17 -12.489 -1.081 1.795 1.00 74.31 N ATOM 230 CA LEU A 17 -11.506 -0.410 2.641 1.00 42.33 C ATOM 231 C LEU A 17 -11.582 -0.966 4.064 1.00 14.44 C ATOM 232 O LEU A 17 -10.553 -1.105 4.724 1.00 54.50 O ATOM 233 CB LEU A 17 -11.705 1.118 2.570 1.00 63.31 C ATOM 234 CG LEU A 17 -10.479 2.017 2.856 1.00 20.24 C ATOM 235 CD1 LEU A 17 -10.020 2.040 4.314 1.00 23.23 C ATOM 236 CD2 LEU A 17 -9.277 1.731 1.948 1.00 20.25 C ATOM 0 H LEU A 17 -13.233 -0.475 1.449 1.00 74.31 H new ATOM 0 HA LEU A 17 -10.497 -0.609 2.280 1.00 42.33 H new ATOM 0 HB2 LEU A 17 -12.075 1.362 1.574 1.00 63.31 H new ATOM 0 HB3 LEU A 17 -12.490 1.387 3.276 1.00 63.31 H new ATOM 0 HG LEU A 17 -10.864 3.010 2.623 1.00 20.24 H new ATOM 0 HD11 LEU A 17 -9.156 2.697 4.413 1.00 23.23 H new ATOM 0 HD12 LEU A 17 -10.830 2.407 4.945 1.00 23.23 H new ATOM 0 HD13 LEU A 17 -9.747 1.032 4.625 1.00 23.23 H new ATOM 0 HD21 LEU A 17 -8.457 2.400 2.208 1.00 20.25 H new ATOM 0 HD22 LEU A 17 -8.958 0.697 2.081 1.00 20.25 H new ATOM 0 HD23 LEU A 17 -9.560 1.892 0.908 1.00 20.25 H new ATOM 248 N ASP A 18 -12.777 -1.378 4.506 1.00 14.14 N ATOM 249 CA ASP A 18 -12.965 -2.064 5.778 1.00 51.42 C ATOM 250 C ASP A 18 -12.085 -3.303 5.848 1.00 62.23 C ATOM 251 O ASP A 18 -11.119 -3.298 6.604 1.00 20.33 O ATOM 252 CB ASP A 18 -14.428 -2.427 6.038 1.00 14.45 C ATOM 253 CG ASP A 18 -14.578 -2.879 7.486 1.00 55.14 C ATOM 254 OD1 ASP A 18 -14.620 -1.984 8.359 1.00 43.54 O ATOM 255 OD2 ASP A 18 -14.708 -4.090 7.768 1.00 22.04 O ATOM 0 H ASP A 18 -13.642 -1.241 3.983 1.00 14.14 H new ATOM 0 HA ASP A 18 -12.667 -1.369 6.563 1.00 51.42 H new ATOM 0 HB2 ASP A 18 -15.069 -1.567 5.844 1.00 14.45 H new ATOM 0 HB3 ASP A 18 -14.745 -3.221 5.361 1.00 14.45 H new ATOM 260 N LYS A 19 -12.352 -4.341 5.045 1.00 71.40 N ATOM 261 CA LYS A 19 -11.577 -5.583 5.124 1.00 35.01 C ATOM 262 C LYS A 19 -10.115 -5.379 4.752 1.00 62.32 C ATOM 263 O LYS A 19 -9.280 -6.130 5.241 1.00 61.44 O ATOM 264 CB LYS A 19 -12.169 -6.694 4.247 1.00 32.12 C ATOM 265 CG LYS A 19 -12.819 -7.813 5.072 1.00 34.04 C ATOM 266 CD LYS A 19 -12.946 -9.064 4.196 1.00 24.42 C ATOM 267 CE LYS A 19 -13.531 -10.262 4.935 1.00 52.43 C ATOM 268 NZ LYS A 19 -14.958 -10.080 5.250 1.00 21.52 N ATOM 0 H LYS A 19 -13.090 -4.345 4.341 1.00 71.40 H new ATOM 0 HA LYS A 19 -11.632 -5.891 6.168 1.00 35.01 H new ATOM 0 HB2 LYS A 19 -12.912 -6.264 3.575 1.00 32.12 H new ATOM 0 HB3 LYS A 19 -11.382 -7.118 3.623 1.00 32.12 H new ATOM 0 HG2 LYS A 19 -12.217 -8.030 5.954 1.00 34.04 H new ATOM 0 HG3 LYS A 19 -13.801 -7.499 5.426 1.00 34.04 H new ATOM 0 HD2 LYS A 19 -13.575 -8.834 3.336 1.00 24.42 H new ATOM 0 HD3 LYS A 19 -11.962 -9.330 3.810 1.00 24.42 H new ATOM 0 HE2 LYS A 19 -13.407 -11.158 4.327 1.00 52.43 H new ATOM 0 HE3 LYS A 19 -12.975 -10.424 5.858 1.00 52.43 H new ATOM 0 HZ1 LYS A 19 -15.312 -10.919 5.752 1.00 21.52 H new ATOM 0 HZ2 LYS A 19 -15.076 -9.240 5.852 1.00 21.52 H new ATOM 0 HZ3 LYS A 19 -15.495 -9.952 4.368 1.00 21.52 H new ATOM 282 N PHE A 20 -9.779 -4.384 3.933 1.00 44.43 N ATOM 283 CA PHE A 20 -8.393 -4.003 3.715 1.00 62.30 C ATOM 284 C PHE A 20 -7.736 -3.686 5.067 1.00 43.22 C ATOM 285 O PHE A 20 -6.709 -4.286 5.364 1.00 64.40 O ATOM 286 CB PHE A 20 -8.332 -2.869 2.686 1.00 31.31 C ATOM 287 CG PHE A 20 -6.984 -2.207 2.509 1.00 21.31 C ATOM 288 CD1 PHE A 20 -6.047 -2.673 1.565 1.00 24.11 C ATOM 289 CD2 PHE A 20 -6.689 -1.073 3.280 1.00 13.41 C ATOM 290 CE1 PHE A 20 -4.847 -1.965 1.363 1.00 63.10 C ATOM 291 CE2 PHE A 20 -5.480 -0.392 3.106 1.00 42.32 C ATOM 292 CZ PHE A 20 -4.573 -0.813 2.122 1.00 52.44 C ATOM 0 H PHE A 20 -10.454 -3.827 3.409 1.00 44.43 H new ATOM 0 HA PHE A 20 -7.813 -4.820 3.287 1.00 62.30 H new ATOM 0 HB2 PHE A 20 -8.651 -3.263 1.721 1.00 31.31 H new ATOM 0 HB3 PHE A 20 -9.055 -2.105 2.973 1.00 31.31 H new ATOM 0 HD1 PHE A 20 -6.249 -3.570 0.999 1.00 24.11 H new ATOM 0 HD2 PHE A 20 -7.401 -0.723 4.013 1.00 13.41 H new ATOM 0 HE1 PHE A 20 -4.136 -2.307 0.625 1.00 63.10 H new ATOM 0 HE2 PHE A 20 -5.245 0.458 3.729 1.00 42.32 H new ATOM 0 HZ PHE A 20 -3.666 -0.253 1.948 1.00 52.44 H new ATOM 302 N THR A 21 -8.342 -2.845 5.913 1.00 62.04 N ATOM 303 CA THR A 21 -7.830 -2.565 7.261 1.00 23.14 C ATOM 304 C THR A 21 -8.094 -3.698 8.281 1.00 1.54 C ATOM 305 O THR A 21 -7.609 -3.622 9.410 1.00 55.34 O ATOM 306 CB THR A 21 -8.435 -1.239 7.783 1.00 63.44 C ATOM 307 OG1 THR A 21 -9.853 -1.226 7.831 1.00 13.34 O ATOM 308 CG2 THR A 21 -8.004 0.000 6.986 1.00 55.44 C ATOM 0 H THR A 21 -9.198 -2.340 5.684 1.00 62.04 H new ATOM 0 HA THR A 21 -6.747 -2.486 7.167 1.00 23.14 H new ATOM 0 HB THR A 21 -8.032 -1.190 8.795 1.00 63.44 H new ATOM 0 HG1 THR A 21 -10.202 -2.043 7.417 1.00 13.34 H new ATOM 0 HG21 THR A 21 -8.470 0.888 7.414 1.00 55.44 H new ATOM 0 HG22 THR A 21 -6.920 0.102 7.030 1.00 55.44 H new ATOM 0 HG23 THR A 21 -8.316 -0.109 5.947 1.00 55.44 H new ATOM 316 N SER A 22 -8.930 -4.692 7.954 1.00 44.13 N ATOM 317 CA SER A 22 -9.683 -5.448 8.958 1.00 4.31 C ATOM 318 C SER A 22 -9.761 -6.955 8.665 1.00 52.32 C ATOM 319 O SER A 22 -10.558 -7.645 9.299 1.00 1.25 O ATOM 320 CB SER A 22 -11.057 -4.775 9.134 1.00 72.32 C ATOM 321 OG SER A 22 -11.668 -5.007 10.388 1.00 53.32 O ATOM 0 H SER A 22 -9.101 -4.991 6.994 1.00 44.13 H new ATOM 0 HA SER A 22 -9.148 -5.414 9.907 1.00 4.31 H new ATOM 0 HB2 SER A 22 -10.941 -3.700 8.994 1.00 72.32 H new ATOM 0 HB3 SER A 22 -11.724 -5.129 8.348 1.00 72.32 H new ATOM 0 HG SER A 22 -11.596 -5.957 10.616 1.00 53.32 H new ATOM 327 N SER A 23 -8.953 -7.503 7.751 1.00 61.41 N ATOM 328 CA SER A 23 -8.400 -8.848 7.910 1.00 12.14 C ATOM 329 C SER A 23 -7.143 -8.980 7.049 1.00 61.40 C ATOM 330 O SER A 23 -7.221 -8.956 5.815 1.00 4.34 O ATOM 331 CB SER A 23 -9.435 -9.937 7.620 1.00 31.21 C ATOM 332 OG SER A 23 -8.960 -11.220 7.994 1.00 71.03 O ATOM 0 H SER A 23 -8.668 -7.033 6.892 1.00 61.41 H new ATOM 0 HA SER A 23 -8.119 -8.995 8.953 1.00 12.14 H new ATOM 0 HB2 SER A 23 -10.356 -9.718 8.160 1.00 31.21 H new ATOM 0 HB3 SER A 23 -9.680 -9.934 6.558 1.00 31.21 H new ATOM 0 HG SER A 23 -8.565 -11.174 8.890 1.00 71.03 H new ATOM 338 N ALA A 24 -5.991 -9.157 7.704 1.00 32.31 N ATOM 339 CA ALA A 24 -4.703 -9.433 7.083 1.00 44.54 C ATOM 340 C ALA A 24 -4.823 -10.540 6.033 1.00 14.51 C ATOM 341 O ALA A 24 -4.412 -10.348 4.886 1.00 12.14 O ATOM 342 CB ALA A 24 -3.692 -9.814 8.167 1.00 71.32 C ATOM 0 H ALA A 24 -5.934 -9.109 8.721 1.00 32.31 H new ATOM 0 HA ALA A 24 -4.357 -8.536 6.569 1.00 44.54 H new ATOM 0 HB1 ALA A 24 -2.726 -10.022 7.707 1.00 71.32 H new ATOM 0 HB2 ALA A 24 -3.588 -8.990 8.873 1.00 71.32 H new ATOM 0 HB3 ALA A 24 -4.041 -10.702 8.694 1.00 71.32 H new ATOM 348 N ALA A 25 -5.420 -11.684 6.389 1.00 4.53 N ATOM 349 CA ALA A 25 -5.535 -12.830 5.488 1.00 23.03 C ATOM 350 C ALA A 25 -6.349 -12.521 4.226 1.00 32.31 C ATOM 351 O ALA A 25 -6.187 -13.209 3.214 1.00 64.41 O ATOM 352 CB ALA A 25 -6.180 -14.007 6.217 1.00 4.44 C ATOM 0 H ALA A 25 -5.835 -11.838 7.308 1.00 4.53 H new ATOM 0 HA ALA A 25 -4.521 -13.079 5.175 1.00 23.03 H new ATOM 0 HB1 ALA A 25 -6.261 -14.855 5.538 1.00 4.44 H new ATOM 0 HB2 ALA A 25 -5.566 -14.285 7.073 1.00 4.44 H new ATOM 0 HB3 ALA A 25 -7.174 -13.721 6.561 1.00 4.44 H new ATOM 358 N PHE A 26 -7.221 -11.509 4.263 1.00 53.30 N ATOM 359 CA PHE A 26 -8.020 -11.102 3.121 1.00 14.55 C ATOM 360 C PHE A 26 -7.310 -10.062 2.265 1.00 61.11 C ATOM 361 O PHE A 26 -7.606 -9.956 1.076 1.00 1.12 O ATOM 362 CB PHE A 26 -9.365 -10.556 3.583 1.00 2.54 C ATOM 363 CG PHE A 26 -10.403 -11.636 3.773 1.00 72.23 C ATOM 364 CD1 PHE A 26 -10.513 -12.314 4.998 1.00 54.14 C ATOM 365 CD2 PHE A 26 -11.266 -11.965 2.713 1.00 53.12 C ATOM 366 CE1 PHE A 26 -11.517 -13.278 5.179 1.00 43.33 C ATOM 367 CE2 PHE A 26 -12.271 -12.924 2.896 1.00 60.24 C ATOM 368 CZ PHE A 26 -12.398 -13.585 4.128 1.00 43.22 C ATOM 0 H PHE A 26 -7.388 -10.949 5.099 1.00 53.30 H new ATOM 0 HA PHE A 26 -8.176 -11.989 2.506 1.00 14.55 H new ATOM 0 HB2 PHE A 26 -9.230 -10.019 4.522 1.00 2.54 H new ATOM 0 HB3 PHE A 26 -9.729 -9.834 2.852 1.00 2.54 H new ATOM 0 HD1 PHE A 26 -9.825 -12.094 5.801 1.00 54.14 H new ATOM 0 HD2 PHE A 26 -11.154 -11.478 1.756 1.00 53.12 H new ATOM 0 HE1 PHE A 26 -11.613 -13.785 6.128 1.00 43.33 H new ATOM 0 HE2 PHE A 26 -12.949 -13.155 2.088 1.00 60.24 H new ATOM 0 HZ PHE A 26 -13.170 -14.327 4.268 1.00 43.22 H new ATOM 378 N GLN A 27 -6.359 -9.302 2.811 1.00 52.42 N ATOM 379 CA GLN A 27 -5.572 -8.354 2.035 1.00 14.53 C ATOM 380 C GLN A 27 -4.920 -9.056 0.827 1.00 1.32 C ATOM 381 O GLN A 27 -4.977 -8.549 -0.291 1.00 44.44 O ATOM 382 CB GLN A 27 -4.571 -7.672 2.976 1.00 15.44 C ATOM 383 CG GLN A 27 -4.477 -6.170 2.698 1.00 2.54 C ATOM 384 CD GLN A 27 -3.542 -5.532 3.714 1.00 23.35 C ATOM 385 OE1 GLN A 27 -2.329 -5.643 3.594 1.00 32.44 O ATOM 386 NE2 GLN A 27 -4.076 -4.919 4.742 1.00 31.23 N ATOM 0 H GLN A 27 -6.116 -9.329 3.801 1.00 52.42 H new ATOM 0 HA GLN A 27 -6.202 -7.574 1.607 1.00 14.53 H new ATOM 0 HB2 GLN A 27 -4.874 -7.834 4.011 1.00 15.44 H new ATOM 0 HB3 GLN A 27 -3.588 -8.128 2.856 1.00 15.44 H new ATOM 0 HG2 GLN A 27 -4.108 -5.997 1.687 1.00 2.54 H new ATOM 0 HG3 GLN A 27 -5.465 -5.714 2.759 1.00 2.54 H new ATOM 0 HE21 GLN A 27 -5.090 -4.840 4.818 1.00 31.23 H new ATOM 0 HE22 GLN A 27 -3.478 -4.521 5.466 1.00 31.23 H new ATOM 395 N TYR A 28 -4.433 -10.287 1.009 1.00 0.14 N ATOM 396 CA TYR A 28 -3.838 -11.112 -0.043 1.00 24.11 C ATOM 397 C TYR A 28 -4.794 -11.475 -1.203 1.00 53.31 C ATOM 398 O TYR A 28 -4.315 -11.821 -2.283 1.00 3.22 O ATOM 399 CB TYR A 28 -3.263 -12.387 0.595 1.00 71.43 C ATOM 400 CG TYR A 28 -2.140 -12.148 1.592 1.00 23.13 C ATOM 401 CD1 TYR A 28 -0.800 -12.107 1.161 1.00 21.02 C ATOM 402 CD2 TYR A 28 -2.425 -11.971 2.960 1.00 35.12 C ATOM 403 CE1 TYR A 28 0.234 -11.833 2.073 1.00 12.34 C ATOM 404 CE2 TYR A 28 -1.396 -11.673 3.873 1.00 22.12 C ATOM 405 CZ TYR A 28 -0.060 -11.564 3.427 1.00 4.54 C ATOM 406 OH TYR A 28 0.930 -11.193 4.289 1.00 63.13 O ATOM 0 H TYR A 28 -4.443 -10.749 1.918 1.00 0.14 H new ATOM 0 HA TYR A 28 -3.055 -10.510 -0.505 1.00 24.11 H new ATOM 0 HB2 TYR A 28 -4.069 -12.921 1.098 1.00 71.43 H new ATOM 0 HB3 TYR A 28 -2.895 -13.039 -0.197 1.00 71.43 H new ATOM 0 HD1 TYR A 28 -0.565 -12.287 0.122 1.00 21.02 H new ATOM 0 HD2 TYR A 28 -3.442 -12.065 3.311 1.00 35.12 H new ATOM 0 HE1 TYR A 28 1.260 -11.828 1.735 1.00 12.34 H new ATOM 0 HE2 TYR A 28 -1.629 -11.527 4.918 1.00 22.12 H new ATOM 0 HH TYR A 28 0.550 -11.046 5.180 1.00 63.13 H new ATOM 416 N THR A 29 -6.121 -11.362 -1.050 1.00 15.44 N ATOM 417 CA THR A 29 -7.121 -11.755 -2.059 1.00 54.43 C ATOM 418 C THR A 29 -7.731 -10.516 -2.760 1.00 40.54 C ATOM 419 O THR A 29 -8.684 -10.640 -3.530 1.00 60.23 O ATOM 420 CB THR A 29 -8.100 -12.840 -1.491 1.00 74.44 C ATOM 421 OG1 THR A 29 -9.439 -12.774 -1.949 1.00 71.44 O ATOM 422 CG2 THR A 29 -8.255 -12.916 0.031 1.00 41.32 C ATOM 0 H THR A 29 -6.542 -10.985 -0.200 1.00 15.44 H new ATOM 0 HA THR A 29 -6.646 -12.278 -2.889 1.00 54.43 H new ATOM 0 HB THR A 29 -7.568 -13.709 -1.879 1.00 74.44 H new ATOM 0 HG1 THR A 29 -9.499 -12.141 -2.695 1.00 71.44 H new ATOM 0 HG21 THR A 29 -8.960 -13.707 0.286 1.00 41.32 H new ATOM 0 HG22 THR A 29 -7.288 -13.131 0.485 1.00 41.32 H new ATOM 0 HG23 THR A 29 -8.628 -11.963 0.407 1.00 41.32 H new ATOM 430 N ARG A 30 -7.186 -9.306 -2.558 1.00 53.34 N ATOM 431 CA ARG A 30 -7.750 -8.066 -3.110 1.00 71.20 C ATOM 432 C ARG A 30 -6.704 -7.178 -3.784 1.00 55.31 C ATOM 433 O ARG A 30 -6.703 -5.975 -3.558 1.00 3.12 O ATOM 434 CB ARG A 30 -8.507 -7.310 -2.004 1.00 41.32 C ATOM 435 CG ARG A 30 -7.599 -6.934 -0.814 1.00 51.22 C ATOM 436 CD ARG A 30 -7.923 -5.592 -0.151 1.00 33.11 C ATOM 437 NE ARG A 30 -9.362 -5.374 0.022 1.00 62.20 N ATOM 438 CZ ARG A 30 -10.205 -6.147 0.707 1.00 62.10 C ATOM 439 NH1 ARG A 30 -9.764 -7.060 1.567 1.00 13.55 N ATOM 440 NH2 ARG A 30 -11.498 -6.031 0.473 1.00 0.45 N ATOM 0 H ARG A 30 -6.340 -9.161 -2.006 1.00 53.34 H new ATOM 0 HA ARG A 30 -8.447 -8.343 -3.901 1.00 71.20 H new ATOM 0 HB2 ARG A 30 -8.945 -6.404 -2.423 1.00 41.32 H new ATOM 0 HB3 ARG A 30 -9.332 -7.927 -1.646 1.00 41.32 H new ATOM 0 HG2 ARG A 30 -7.668 -7.720 -0.062 1.00 51.22 H new ATOM 0 HG3 ARG A 30 -6.565 -6.912 -1.158 1.00 51.22 H new ATOM 0 HD2 ARG A 30 -7.434 -5.546 0.822 1.00 33.11 H new ATOM 0 HD3 ARG A 30 -7.508 -4.785 -0.755 1.00 33.11 H new ATOM 0 HE ARG A 30 -9.758 -4.548 -0.427 1.00 62.20 H new ATOM 0 HH11 ARG A 30 -8.762 -7.180 1.714 1.00 13.55 H new ATOM 0 HH12 ARG A 30 -10.428 -7.640 2.080 1.00 13.55 H new ATOM 0 HH21 ARG A 30 -11.833 -5.361 -0.219 1.00 0.45 H new ATOM 0 HH22 ARG A 30 -12.163 -6.611 0.984 1.00 0.45 H new ATOM 454 N VAL A 31 -5.769 -7.719 -4.558 1.00 40.23 N ATOM 455 CA VAL A 31 -4.684 -6.938 -5.137 1.00 61.41 C ATOM 456 C VAL A 31 -4.225 -7.527 -6.464 1.00 33.32 C ATOM 457 O VAL A 31 -4.242 -8.753 -6.628 1.00 45.33 O ATOM 458 CB VAL A 31 -3.587 -6.780 -4.071 1.00 31.35 C ATOM 459 CG1 VAL A 31 -3.253 -8.054 -3.302 1.00 34.04 C ATOM 460 CG2 VAL A 31 -2.307 -6.162 -4.632 1.00 20.23 C ATOM 0 H VAL A 31 -5.743 -8.709 -4.801 1.00 40.23 H new ATOM 0 HA VAL A 31 -5.014 -5.934 -5.405 1.00 61.41 H new ATOM 0 HB VAL A 31 -4.030 -6.091 -3.353 1.00 31.35 H new ATOM 0 HG11 VAL A 31 -2.470 -7.844 -2.573 1.00 34.04 H new ATOM 0 HG12 VAL A 31 -4.144 -8.411 -2.785 1.00 34.04 H new ATOM 0 HG13 VAL A 31 -2.907 -8.818 -3.997 1.00 34.04 H new ATOM 0 HG21 VAL A 31 -1.567 -6.074 -3.837 1.00 20.23 H new ATOM 0 HG22 VAL A 31 -1.913 -6.798 -5.425 1.00 20.23 H new ATOM 0 HG23 VAL A 31 -2.527 -5.173 -5.035 1.00 20.23 H new ATOM 470 N LYS A 32 -3.886 -6.663 -7.427 1.00 52.21 N ATOM 471 CA LYS A 32 -3.307 -7.096 -8.697 1.00 62.24 C ATOM 472 C LYS A 32 -1.807 -7.245 -8.513 1.00 30.14 C ATOM 473 O LYS A 32 -1.259 -6.731 -7.552 1.00 72.33 O ATOM 474 CB LYS A 32 -3.566 -6.044 -9.786 1.00 70.32 C ATOM 475 CG LYS A 32 -5.013 -6.078 -10.279 1.00 13.12 C ATOM 476 CD LYS A 32 -5.513 -7.439 -10.779 1.00 64.53 C ATOM 477 CE LYS A 32 -4.534 -8.149 -11.724 1.00 24.11 C ATOM 478 NZ LYS A 32 -5.137 -9.344 -12.337 1.00 32.42 N ATOM 0 H LYS A 32 -4.005 -5.653 -7.347 1.00 52.21 H new ATOM 0 HA LYS A 32 -3.760 -8.041 -8.998 1.00 62.24 H new ATOM 0 HB2 LYS A 32 -3.339 -5.052 -9.394 1.00 70.32 H new ATOM 0 HB3 LYS A 32 -2.892 -6.217 -10.625 1.00 70.32 H new ATOM 0 HG2 LYS A 32 -5.662 -5.749 -9.467 1.00 13.12 H new ATOM 0 HG3 LYS A 32 -5.120 -5.353 -11.086 1.00 13.12 H new ATOM 0 HD2 LYS A 32 -5.706 -8.082 -9.921 1.00 64.53 H new ATOM 0 HD3 LYS A 32 -6.464 -7.300 -11.293 1.00 64.53 H new ATOM 0 HE2 LYS A 32 -4.219 -7.459 -12.506 1.00 24.11 H new ATOM 0 HE3 LYS A 32 -3.639 -8.436 -11.172 1.00 24.11 H new ATOM 0 HZ1 LYS A 32 -4.446 -9.797 -12.969 1.00 32.42 H new ATOM 0 HZ2 LYS A 32 -5.415 -10.014 -11.592 1.00 32.42 H new ATOM 0 HZ3 LYS A 32 -5.977 -9.067 -12.885 1.00 32.42 H new ATOM 492 N PHE A 33 -1.145 -7.886 -9.463 1.00 70.43 N ATOM 493 CA PHE A 33 0.289 -7.742 -9.674 1.00 10.23 C ATOM 494 C PHE A 33 0.536 -7.765 -11.177 1.00 45.53 C ATOM 495 O PHE A 33 -0.343 -8.249 -11.899 1.00 32.21 O ATOM 496 CB PHE A 33 1.093 -8.840 -8.959 1.00 61.01 C ATOM 497 CG PHE A 33 1.039 -8.681 -7.458 1.00 41.53 C ATOM 498 CD1 PHE A 33 1.851 -7.743 -6.800 1.00 30.01 C ATOM 499 CD2 PHE A 33 0.028 -9.329 -6.740 1.00 14.44 C ATOM 500 CE1 PHE A 33 1.639 -7.474 -5.436 1.00 54.32 C ATOM 501 CE2 PHE A 33 -0.154 -9.093 -5.372 1.00 25.23 C ATOM 502 CZ PHE A 33 0.662 -8.169 -4.707 1.00 24.23 C ATOM 0 H PHE A 33 -1.592 -8.528 -10.117 1.00 70.43 H new ATOM 0 HA PHE A 33 0.630 -6.800 -9.245 1.00 10.23 H new ATOM 0 HB2 PHE A 33 0.700 -9.818 -9.236 1.00 61.01 H new ATOM 0 HB3 PHE A 33 2.130 -8.807 -9.292 1.00 61.01 H new ATOM 0 HD1 PHE A 33 2.634 -7.231 -7.339 1.00 30.01 H new ATOM 0 HD2 PHE A 33 -0.623 -10.023 -7.250 1.00 14.44 H new ATOM 0 HE1 PHE A 33 2.237 -6.722 -4.943 1.00 54.32 H new ATOM 0 HE2 PHE A 33 -0.923 -9.623 -4.830 1.00 25.23 H new ATOM 0 HZ PHE A 33 0.541 -7.994 -3.648 1.00 24.23 H new ATOM 512 N PRO A 34 1.694 -7.288 -11.661 1.00 24.42 N ATOM 513 CA PRO A 34 2.626 -6.416 -10.948 1.00 25.32 C ATOM 514 C PRO A 34 1.971 -5.062 -10.618 1.00 52.54 C ATOM 515 O PRO A 34 0.788 -4.846 -10.897 1.00 51.44 O ATOM 516 CB PRO A 34 3.828 -6.292 -11.882 1.00 44.34 C ATOM 517 CG PRO A 34 3.167 -6.349 -13.250 1.00 61.44 C ATOM 518 CD PRO A 34 2.036 -7.348 -13.064 1.00 63.20 C ATOM 0 HA PRO A 34 2.928 -6.814 -9.979 1.00 25.32 H new ATOM 0 HB2 PRO A 34 4.370 -5.359 -11.729 1.00 44.34 H new ATOM 0 HB3 PRO A 34 4.542 -7.103 -11.739 1.00 44.34 H new ATOM 0 HG2 PRO A 34 2.792 -5.372 -13.554 1.00 61.44 H new ATOM 0 HG3 PRO A 34 3.867 -6.675 -14.019 1.00 61.44 H new ATOM 0 HD2 PRO A 34 1.180 -7.092 -13.688 1.00 63.20 H new ATOM 0 HD3 PRO A 34 2.349 -8.352 -13.349 1.00 63.20 H new ATOM 526 N LEU A 35 2.726 -4.186 -9.959 1.00 50.12 N ATOM 527 CA LEU A 35 2.249 -2.915 -9.432 1.00 11.24 C ATOM 528 C LEU A 35 3.096 -1.763 -9.975 1.00 53.52 C ATOM 529 O LEU A 35 4.104 -2.002 -10.647 1.00 44.50 O ATOM 530 CB LEU A 35 2.248 -2.959 -7.901 1.00 11.43 C ATOM 531 CG LEU A 35 1.349 -4.017 -7.247 1.00 61.04 C ATOM 532 CD1 LEU A 35 1.505 -3.941 -5.743 1.00 11.23 C ATOM 533 CD2 LEU A 35 -0.118 -3.748 -7.531 1.00 21.45 C ATOM 0 H LEU A 35 3.716 -4.348 -9.773 1.00 50.12 H new ATOM 0 HA LEU A 35 1.224 -2.742 -9.761 1.00 11.24 H new ATOM 0 HB2 LEU A 35 3.271 -3.125 -7.564 1.00 11.43 H new ATOM 0 HB3 LEU A 35 1.946 -1.979 -7.532 1.00 11.43 H new ATOM 0 HG LEU A 35 1.642 -4.987 -7.649 1.00 61.04 H new ATOM 0 HD11 LEU A 35 0.868 -4.691 -5.273 1.00 11.23 H new ATOM 0 HD12 LEU A 35 2.545 -4.128 -5.475 1.00 11.23 H new ATOM 0 HD13 LEU A 35 1.214 -2.949 -5.397 1.00 11.23 H new ATOM 0 HD21 LEU A 35 -0.728 -4.515 -7.054 1.00 21.45 H new ATOM 0 HD22 LEU A 35 -0.392 -2.770 -7.136 1.00 21.45 H new ATOM 0 HD23 LEU A 35 -0.289 -3.766 -8.607 1.00 21.45 H new ATOM 545 N LYS A 36 2.645 -0.522 -9.760 1.00 14.21 N ATOM 546 CA LYS A 36 3.118 0.633 -10.553 1.00 41.33 C ATOM 547 C LYS A 36 4.434 1.178 -10.051 1.00 42.10 C ATOM 548 O LYS A 36 5.293 1.514 -10.866 1.00 52.44 O ATOM 549 CB LYS A 36 2.137 1.816 -10.578 1.00 32.01 C ATOM 550 CG LYS A 36 0.689 1.396 -10.766 1.00 15.31 C ATOM 551 CD LYS A 36 0.460 0.657 -12.096 1.00 32.24 C ATOM 552 CE LYS A 36 -1.018 0.339 -12.310 1.00 14.22 C ATOM 553 NZ LYS A 36 -1.448 -0.816 -11.512 1.00 42.22 N ATOM 0 H LYS A 36 1.955 -0.286 -9.047 1.00 14.21 H new ATOM 0 HA LYS A 36 3.220 0.221 -11.557 1.00 41.33 H new ATOM 0 HB2 LYS A 36 2.228 2.373 -9.646 1.00 32.01 H new ATOM 0 HB3 LYS A 36 2.418 2.494 -11.383 1.00 32.01 H new ATOM 0 HG2 LYS A 36 0.390 0.751 -9.939 1.00 15.31 H new ATOM 0 HG3 LYS A 36 0.050 2.278 -10.729 1.00 15.31 H new ATOM 0 HD2 LYS A 36 0.825 1.268 -12.921 1.00 32.24 H new ATOM 0 HD3 LYS A 36 1.037 -0.267 -12.104 1.00 32.24 H new ATOM 0 HE2 LYS A 36 -1.619 1.209 -12.044 1.00 14.22 H new ATOM 0 HE3 LYS A 36 -1.197 0.138 -13.366 1.00 14.22 H new ATOM 0 HZ1 LYS A 36 -2.448 -1.022 -11.710 1.00 42.22 H new ATOM 0 HZ2 LYS A 36 -0.869 -1.644 -11.759 1.00 42.22 H new ATOM 0 HZ3 LYS A 36 -1.332 -0.602 -10.501 1.00 42.22 H new ATOM 567 N THR A 37 4.564 1.292 -8.742 1.00 75.23 N ATOM 568 CA THR A 37 5.817 1.544 -8.039 1.00 14.34 C ATOM 569 C THR A 37 6.390 0.203 -7.532 1.00 33.34 C ATOM 570 O THR A 37 6.160 -0.186 -6.381 1.00 21.32 O ATOM 571 CB THR A 37 5.591 2.570 -6.913 1.00 14.44 C ATOM 572 OG1 THR A 37 4.548 2.171 -6.045 1.00 71.33 O ATOM 573 CG2 THR A 37 5.253 3.964 -7.447 1.00 43.14 C ATOM 0 H THR A 37 3.768 1.209 -8.109 1.00 75.23 H new ATOM 0 HA THR A 37 6.556 1.981 -8.711 1.00 14.34 H new ATOM 0 HB THR A 37 6.535 2.614 -6.370 1.00 14.44 H new ATOM 0 HG1 THR A 37 3.720 2.059 -6.558 1.00 71.33 H new ATOM 0 HG21 THR A 37 5.104 4.647 -6.611 1.00 43.14 H new ATOM 0 HG22 THR A 37 6.073 4.324 -8.068 1.00 43.14 H new ATOM 0 HG23 THR A 37 4.341 3.914 -8.042 1.00 43.14 H new ATOM 581 N PRO A 38 7.064 -0.595 -8.378 1.00 64.22 N ATOM 582 CA PRO A 38 7.746 -1.795 -7.921 1.00 72.31 C ATOM 583 C PRO A 38 8.962 -1.425 -7.053 1.00 21.21 C ATOM 584 O PRO A 38 9.182 -0.261 -6.723 1.00 12.11 O ATOM 585 CB PRO A 38 8.098 -2.544 -9.205 1.00 44.42 C ATOM 586 CG PRO A 38 8.367 -1.416 -10.198 1.00 15.52 C ATOM 587 CD PRO A 38 7.300 -0.403 -9.800 1.00 71.44 C ATOM 0 HA PRO A 38 7.140 -2.427 -7.272 1.00 72.31 H new ATOM 0 HB2 PRO A 38 8.972 -3.182 -9.073 1.00 44.42 H new ATOM 0 HB3 PRO A 38 7.281 -3.186 -9.535 1.00 44.42 H new ATOM 0 HG2 PRO A 38 9.374 -1.012 -10.098 1.00 15.52 H new ATOM 0 HG3 PRO A 38 8.257 -1.744 -11.232 1.00 15.52 H new ATOM 0 HD2 PRO A 38 7.634 0.614 -10.005 1.00 71.44 H new ATOM 0 HD3 PRO A 38 6.384 -0.559 -10.370 1.00 71.44 H new ATOM 595 N ILE A 39 9.725 -2.439 -6.633 1.00 60.20 N ATOM 596 CA ILE A 39 10.666 -2.302 -5.524 1.00 52.53 C ATOM 597 C ILE A 39 11.761 -1.250 -5.790 1.00 75.11 C ATOM 598 O ILE A 39 12.234 -0.643 -4.835 1.00 24.01 O ATOM 599 CB ILE A 39 11.208 -3.706 -5.159 1.00 11.23 C ATOM 600 CG1 ILE A 39 10.093 -4.622 -4.596 1.00 4.21 C ATOM 601 CG2 ILE A 39 12.342 -3.655 -4.127 1.00 41.43 C ATOM 602 CD1 ILE A 39 9.664 -5.720 -5.560 1.00 34.34 C ATOM 0 H ILE A 39 9.706 -3.370 -7.050 1.00 60.20 H new ATOM 0 HA ILE A 39 10.145 -1.904 -4.653 1.00 52.53 H new ATOM 0 HB ILE A 39 11.594 -4.113 -6.094 1.00 11.23 H new ATOM 0 HG12 ILE A 39 10.442 -5.079 -3.670 1.00 4.21 H new ATOM 0 HG13 ILE A 39 9.226 -4.012 -4.343 1.00 4.21 H new ATOM 0 HG21 ILE A 39 12.682 -4.668 -3.910 1.00 41.43 H new ATOM 0 HG22 ILE A 39 13.171 -3.071 -4.526 1.00 41.43 H new ATOM 0 HG23 ILE A 39 11.979 -3.190 -3.211 1.00 41.43 H new ATOM 0 HD11 ILE A 39 8.881 -6.323 -5.100 1.00 34.34 H new ATOM 0 HD12 ILE A 39 9.284 -5.271 -6.478 1.00 34.34 H new ATOM 0 HD13 ILE A 39 10.519 -6.354 -5.794 1.00 34.34 H new ATOM 614 N THR A 40 12.218 -1.106 -7.040 1.00 54.20 N ATOM 615 CA THR A 40 13.000 0.024 -7.555 1.00 55.53 C ATOM 616 C THR A 40 14.094 0.479 -6.571 1.00 53.30 C ATOM 617 O THR A 40 13.988 1.536 -5.945 1.00 20.04 O ATOM 618 CB THR A 40 12.078 1.138 -8.079 1.00 21.25 C ATOM 619 OG1 THR A 40 11.093 0.544 -8.907 1.00 62.40 O ATOM 620 CG2 THR A 40 12.887 2.089 -8.962 1.00 54.31 C ATOM 0 H THR A 40 12.043 -1.811 -7.756 1.00 54.20 H new ATOM 0 HA THR A 40 13.565 -0.311 -8.425 1.00 55.53 H new ATOM 0 HB THR A 40 11.634 1.672 -7.239 1.00 21.25 H new ATOM 0 HG1 THR A 40 10.292 0.351 -8.376 1.00 62.40 H new ATOM 0 HG21 THR A 40 12.237 2.880 -9.336 1.00 54.31 H new ATOM 0 HG22 THR A 40 13.695 2.529 -8.378 1.00 54.31 H new ATOM 0 HG23 THR A 40 13.306 1.537 -9.803 1.00 54.31 H new ATOM 628 N LEU A 41 15.129 -0.348 -6.409 1.00 44.11 N ATOM 629 CA LEU A 41 16.234 -0.116 -5.481 1.00 14.13 C ATOM 630 C LEU A 41 17.462 0.354 -6.245 1.00 14.51 C ATOM 631 O LEU A 41 17.464 0.364 -7.479 1.00 43.13 O ATOM 632 CB LEU A 41 16.513 -1.374 -4.637 1.00 40.20 C ATOM 633 CG LEU A 41 16.803 -2.670 -5.418 1.00 74.40 C ATOM 634 CD1 LEU A 41 18.082 -2.691 -6.243 1.00 40.44 C ATOM 635 CD2 LEU A 41 16.798 -3.859 -4.460 1.00 14.52 C ATOM 0 H LEU A 41 15.223 -1.218 -6.933 1.00 44.11 H new ATOM 0 HA LEU A 41 15.958 0.674 -4.782 1.00 14.13 H new ATOM 0 HB2 LEU A 41 17.364 -1.168 -3.988 1.00 40.20 H new ATOM 0 HB3 LEU A 41 15.653 -1.550 -3.990 1.00 40.20 H new ATOM 0 HG LEU A 41 15.999 -2.730 -6.152 1.00 74.40 H new ATOM 0 HD11 LEU A 41 18.175 -3.654 -6.745 1.00 40.44 H new ATOM 0 HD12 LEU A 41 18.048 -1.895 -6.987 1.00 40.44 H new ATOM 0 HD13 LEU A 41 18.940 -2.539 -5.588 1.00 40.44 H new ATOM 0 HD21 LEU A 41 17.003 -4.774 -5.015 1.00 14.52 H new ATOM 0 HD22 LEU A 41 17.565 -3.716 -3.699 1.00 14.52 H new ATOM 0 HD23 LEU A 41 15.822 -3.936 -3.981 1.00 14.52 H new ATOM 647 N LEU A 42 18.510 0.709 -5.502 1.00 55.23 N ATOM 648 CA LEU A 42 19.774 1.118 -6.084 1.00 41.31 C ATOM 649 C LEU A 42 20.618 -0.090 -6.437 1.00 4.23 C ATOM 650 O LEU A 42 20.955 -0.895 -5.564 1.00 13.24 O ATOM 651 CB LEU A 42 20.554 2.056 -5.145 1.00 63.44 C ATOM 652 CG LEU A 42 20.625 3.485 -5.696 1.00 63.20 C ATOM 653 CD1 LEU A 42 21.251 3.549 -7.090 1.00 21.04 C ATOM 654 CD2 LEU A 42 19.234 4.133 -5.697 1.00 54.50 C ATOM 0 H LEU A 42 18.500 0.719 -4.482 1.00 55.23 H new ATOM 0 HA LEU A 42 19.549 1.669 -6.997 1.00 41.31 H new ATOM 0 HB2 LEU A 42 20.077 2.068 -4.165 1.00 63.44 H new ATOM 0 HB3 LEU A 42 21.564 1.671 -5.003 1.00 63.44 H new ATOM 0 HG LEU A 42 21.279 4.048 -5.031 1.00 63.20 H new ATOM 0 HD11 LEU A 42 21.276 4.584 -7.431 1.00 21.04 H new ATOM 0 HD12 LEU A 42 22.267 3.155 -7.051 1.00 21.04 H new ATOM 0 HD13 LEU A 42 20.657 2.953 -7.783 1.00 21.04 H new ATOM 0 HD21 LEU A 42 19.305 5.147 -6.091 1.00 54.50 H new ATOM 0 HD22 LEU A 42 18.560 3.547 -6.322 1.00 54.50 H new ATOM 0 HD23 LEU A 42 18.847 4.166 -4.678 1.00 54.50 H new ATOM 666 N ALA A 43 20.967 -0.206 -7.715 1.00 2.32 N ATOM 667 CA ALA A 43 21.882 -1.219 -8.203 1.00 51.24 C ATOM 668 C ALA A 43 23.267 -1.113 -7.558 1.00 0.21 C ATOM 669 O ALA A 43 23.641 -0.132 -6.909 1.00 24.32 O ATOM 670 CB ALA A 43 22.005 -1.100 -9.723 1.00 3.43 C ATOM 0 H ALA A 43 20.615 0.412 -8.446 1.00 2.32 H new ATOM 0 HA ALA A 43 21.475 -2.193 -7.931 1.00 51.24 H new ATOM 0 HB1 ALA A 43 22.693 -1.861 -10.093 1.00 3.43 H new ATOM 0 HB2 ALA A 43 21.026 -1.243 -10.180 1.00 3.43 H new ATOM 0 HB3 ALA A 43 22.385 -0.111 -9.981 1.00 3.43 H new ATOM 676 N ASP A 44 24.066 -2.134 -7.837 1.00 35.04 N ATOM 677 CA ASP A 44 25.451 -2.302 -7.436 1.00 24.11 C ATOM 678 C ASP A 44 26.338 -1.159 -7.937 1.00 54.13 C ATOM 679 O ASP A 44 27.233 -0.735 -7.206 1.00 14.11 O ATOM 680 CB ASP A 44 25.957 -3.652 -7.963 1.00 43.42 C ATOM 681 CG ASP A 44 26.032 -3.724 -9.487 1.00 45.20 C ATOM 682 OD1 ASP A 44 25.013 -3.428 -10.160 1.00 1.51 O ATOM 683 OD2 ASP A 44 27.078 -4.168 -10.003 1.00 3.12 O ATOM 0 H ASP A 44 23.735 -2.924 -8.391 1.00 35.04 H new ATOM 0 HA ASP A 44 25.503 -2.282 -6.347 1.00 24.11 H new ATOM 0 HB2 ASP A 44 26.947 -3.846 -7.549 1.00 43.42 H new ATOM 0 HB3 ASP A 44 25.300 -4.443 -7.602 1.00 43.42 H new ATOM 688 N ASP A 45 26.071 -0.606 -9.123 1.00 55.34 N ATOM 689 CA ASP A 45 26.840 0.517 -9.686 1.00 20.34 C ATOM 690 C ASP A 45 26.416 1.877 -9.092 1.00 43.22 C ATOM 691 O ASP A 45 27.065 2.890 -9.357 1.00 13.11 O ATOM 692 CB ASP A 45 26.763 0.515 -11.227 1.00 0.33 C ATOM 693 CG ASP A 45 28.047 0.184 -11.989 1.00 33.31 C ATOM 694 OD1 ASP A 45 29.164 0.158 -11.424 1.00 53.11 O ATOM 695 OD2 ASP A 45 27.940 -0.053 -13.216 1.00 41.21 O ATOM 0 H ASP A 45 25.312 -0.923 -9.726 1.00 55.34 H new ATOM 0 HA ASP A 45 27.882 0.372 -9.401 1.00 20.34 H new ATOM 0 HB2 ASP A 45 25.998 -0.201 -11.526 1.00 0.33 H new ATOM 0 HB3 ASP A 45 26.422 1.499 -11.550 1.00 0.33 H new ATOM 700 N GLY A 46 25.368 1.929 -8.255 1.00 23.05 N ATOM 701 CA GLY A 46 25.086 3.075 -7.406 1.00 2.53 C ATOM 702 C GLY A 46 24.270 4.176 -8.068 1.00 62.02 C ATOM 703 O GLY A 46 24.074 5.214 -7.436 1.00 53.53 O ATOM 0 H GLY A 46 24.695 1.169 -8.155 1.00 23.05 H new ATOM 0 HA2 GLY A 46 24.553 2.730 -6.520 1.00 2.53 H new ATOM 0 HA3 GLY A 46 26.031 3.498 -7.065 1.00 2.53 H new ATOM 707 N GLU A 47 23.748 3.963 -9.275 1.00 64.00 N ATOM 708 CA GLU A 47 22.928 4.884 -10.016 1.00 63.43 C ATOM 709 C GLU A 47 21.577 4.237 -10.350 1.00 35.02 C ATOM 710 O GLU A 47 20.518 4.825 -10.125 1.00 41.30 O ATOM 711 CB GLU A 47 23.761 5.241 -11.255 1.00 55.44 C ATOM 712 CG GLU A 47 22.865 5.808 -12.336 1.00 42.50 C ATOM 713 CD GLU A 47 23.616 6.706 -13.306 1.00 33.01 C ATOM 714 OE1 GLU A 47 23.839 7.893 -12.986 1.00 31.05 O ATOM 715 OE2 GLU A 47 23.913 6.259 -14.437 1.00 42.12 O ATOM 0 H GLU A 47 23.902 3.090 -9.779 1.00 64.00 H new ATOM 0 HA GLU A 47 22.675 5.787 -9.461 1.00 63.43 H new ATOM 0 HB2 GLU A 47 24.529 5.967 -10.990 1.00 55.44 H new ATOM 0 HB3 GLU A 47 24.275 4.354 -11.626 1.00 55.44 H new ATOM 0 HG2 GLU A 47 22.404 4.989 -12.888 1.00 42.50 H new ATOM 0 HG3 GLU A 47 22.057 6.375 -11.873 1.00 42.50 H new ATOM 722 N THR A 48 21.624 3.042 -10.925 1.00 33.11 N ATOM 723 CA THR A 48 20.554 2.442 -11.690 1.00 0.23 C ATOM 724 C THR A 48 19.449 1.961 -10.760 1.00 44.23 C ATOM 725 O THR A 48 19.657 1.123 -9.882 1.00 51.40 O ATOM 726 CB THR A 48 21.131 1.310 -12.554 1.00 32.35 C ATOM 727 OG1 THR A 48 22.209 1.790 -13.344 1.00 52.24 O ATOM 728 CG2 THR A 48 20.112 0.661 -13.483 1.00 61.01 C ATOM 0 H THR A 48 22.448 2.444 -10.864 1.00 33.11 H new ATOM 0 HA THR A 48 20.104 3.178 -12.357 1.00 0.23 H new ATOM 0 HB THR A 48 21.465 0.550 -11.847 1.00 32.35 H new ATOM 0 HG1 THR A 48 22.568 1.058 -13.888 1.00 52.24 H new ATOM 0 HG21 THR A 48 20.596 -0.128 -14.059 1.00 61.01 H new ATOM 0 HG22 THR A 48 19.301 0.234 -12.892 1.00 61.01 H new ATOM 0 HG23 THR A 48 19.709 1.412 -14.163 1.00 61.01 H new ATOM 736 N GLU A 49 18.262 2.495 -10.997 1.00 31.35 N ATOM 737 CA GLU A 49 16.998 2.073 -10.425 1.00 44.44 C ATOM 738 C GLU A 49 16.636 0.675 -10.956 1.00 34.05 C ATOM 739 O GLU A 49 15.935 0.511 -11.964 1.00 23.31 O ATOM 740 CB GLU A 49 15.958 3.125 -10.821 1.00 41.53 C ATOM 741 CG GLU A 49 16.186 4.474 -10.123 1.00 32.23 C ATOM 742 CD GLU A 49 15.637 5.614 -10.976 1.00 75.04 C ATOM 743 OE1 GLU A 49 14.403 5.712 -11.167 1.00 55.30 O ATOM 744 OE2 GLU A 49 16.456 6.376 -11.543 1.00 55.44 O ATOM 0 H GLU A 49 18.151 3.284 -11.634 1.00 31.35 H new ATOM 0 HA GLU A 49 17.045 1.997 -9.339 1.00 44.44 H new ATOM 0 HB2 GLU A 49 15.986 3.270 -11.901 1.00 41.53 H new ATOM 0 HB3 GLU A 49 14.962 2.757 -10.575 1.00 41.53 H new ATOM 0 HG2 GLU A 49 15.698 4.473 -9.148 1.00 32.23 H new ATOM 0 HG3 GLU A 49 17.251 4.624 -9.946 1.00 32.23 H new ATOM 751 N LYS A 50 17.129 -0.367 -10.287 1.00 61.31 N ATOM 752 CA LYS A 50 16.834 -1.752 -10.645 1.00 34.42 C ATOM 753 C LYS A 50 15.655 -2.207 -9.809 1.00 1.41 C ATOM 754 O LYS A 50 15.710 -2.276 -8.579 1.00 60.23 O ATOM 755 CB LYS A 50 18.053 -2.687 -10.551 1.00 11.21 C ATOM 756 CG LYS A 50 18.922 -2.596 -11.828 1.00 4.14 C ATOM 757 CD LYS A 50 19.439 -3.949 -12.343 1.00 1.43 C ATOM 758 CE LYS A 50 20.513 -4.569 -11.442 1.00 1.21 C ATOM 759 NZ LYS A 50 21.087 -5.792 -12.042 1.00 2.52 N ATOM 0 H LYS A 50 17.745 -0.273 -9.480 1.00 61.31 H new ATOM 0 HA LYS A 50 16.568 -1.802 -11.701 1.00 34.42 H new ATOM 0 HB2 LYS A 50 18.652 -2.423 -9.680 1.00 11.21 H new ATOM 0 HB3 LYS A 50 17.718 -3.714 -10.408 1.00 11.21 H new ATOM 0 HG2 LYS A 50 18.339 -2.120 -12.616 1.00 4.14 H new ATOM 0 HG3 LYS A 50 19.775 -1.948 -11.627 1.00 4.14 H new ATOM 0 HD2 LYS A 50 18.602 -4.642 -12.428 1.00 1.43 H new ATOM 0 HD3 LYS A 50 19.847 -3.817 -13.345 1.00 1.43 H new ATOM 0 HE2 LYS A 50 21.306 -3.842 -11.267 1.00 1.21 H new ATOM 0 HE3 LYS A 50 20.080 -4.808 -10.471 1.00 1.21 H new ATOM 0 HZ1 LYS A 50 21.810 -6.185 -11.406 1.00 2.52 H new ATOM 0 HZ2 LYS A 50 20.334 -6.495 -12.186 1.00 2.52 H new ATOM 0 HZ3 LYS A 50 21.522 -5.558 -12.957 1.00 2.52 H new ATOM 773 N THR A 51 14.558 -2.483 -10.494 1.00 32.22 N ATOM 774 CA THR A 51 13.363 -3.034 -9.901 1.00 33.41 C ATOM 775 C THR A 51 13.460 -4.567 -9.919 1.00 31.44 C ATOM 776 O THR A 51 14.417 -5.146 -10.438 1.00 45.34 O ATOM 777 CB THR A 51 12.104 -2.352 -10.470 1.00 14.54 C ATOM 778 OG1 THR A 51 10.961 -3.156 -10.400 1.00 62.40 O ATOM 779 CG2 THR A 51 12.207 -1.802 -11.878 1.00 11.51 C ATOM 0 H THR A 51 14.477 -2.325 -11.498 1.00 32.22 H new ATOM 0 HA THR A 51 13.264 -2.802 -8.841 1.00 33.41 H new ATOM 0 HB THR A 51 12.015 -1.495 -9.802 1.00 14.54 H new ATOM 0 HG1 THR A 51 10.435 -3.048 -11.220 1.00 62.40 H new ATOM 0 HG21 THR A 51 11.257 -1.348 -12.162 1.00 11.51 H new ATOM 0 HG22 THR A 51 12.995 -1.050 -11.918 1.00 11.51 H new ATOM 0 HG23 THR A 51 12.443 -2.612 -12.569 1.00 11.51 H new ATOM 787 N PHE A 52 12.472 -5.209 -9.314 1.00 24.01 N ATOM 788 CA PHE A 52 12.198 -6.633 -9.207 1.00 31.23 C ATOM 789 C PHE A 52 10.660 -6.760 -9.162 1.00 22.31 C ATOM 790 O PHE A 52 9.975 -5.753 -8.939 1.00 43.11 O ATOM 791 CB PHE A 52 12.877 -7.181 -7.933 1.00 33.41 C ATOM 792 CG PHE A 52 14.361 -7.496 -8.084 1.00 21.04 C ATOM 793 CD1 PHE A 52 14.783 -8.606 -8.840 1.00 53.21 C ATOM 794 CD2 PHE A 52 15.332 -6.689 -7.461 1.00 65.31 C ATOM 795 CE1 PHE A 52 16.154 -8.903 -8.960 1.00 11.25 C ATOM 796 CE2 PHE A 52 16.704 -6.970 -7.597 1.00 51.20 C ATOM 797 CZ PHE A 52 17.117 -8.089 -8.338 1.00 25.44 C ATOM 0 H PHE A 52 11.754 -4.675 -8.825 1.00 24.01 H new ATOM 0 HA PHE A 52 12.592 -7.213 -10.042 1.00 31.23 H new ATOM 0 HB2 PHE A 52 12.754 -6.453 -7.131 1.00 33.41 H new ATOM 0 HB3 PHE A 52 12.357 -8.088 -7.623 1.00 33.41 H new ATOM 0 HD1 PHE A 52 14.052 -9.232 -9.330 1.00 53.21 H new ATOM 0 HD2 PHE A 52 15.019 -5.841 -6.870 1.00 65.31 H new ATOM 0 HE1 PHE A 52 16.468 -9.762 -9.534 1.00 11.25 H new ATOM 0 HE2 PHE A 52 17.437 -6.327 -7.133 1.00 51.20 H new ATOM 0 HZ PHE A 52 18.167 -8.323 -8.430 1.00 25.44 H new ATOM 807 N PRO A 53 10.067 -7.951 -9.367 1.00 1.45 N ATOM 808 CA PRO A 53 8.620 -8.102 -9.278 1.00 30.33 C ATOM 809 C PRO A 53 8.156 -7.840 -7.854 1.00 21.12 C ATOM 810 O PRO A 53 8.739 -8.388 -6.917 1.00 2.34 O ATOM 811 CB PRO A 53 8.301 -9.552 -9.641 1.00 52.30 C ATOM 812 CG PRO A 53 9.629 -10.286 -9.445 1.00 12.22 C ATOM 813 CD PRO A 53 10.697 -9.220 -9.692 1.00 24.04 C ATOM 0 HA PRO A 53 8.120 -7.399 -9.944 1.00 30.33 H new ATOM 0 HB2 PRO A 53 7.521 -9.961 -8.999 1.00 52.30 H new ATOM 0 HB3 PRO A 53 7.946 -9.637 -10.668 1.00 52.30 H new ATOM 0 HG2 PRO A 53 9.708 -10.702 -8.440 1.00 12.22 H new ATOM 0 HG3 PRO A 53 9.730 -11.117 -10.143 1.00 12.22 H new ATOM 0 HD2 PRO A 53 11.574 -9.393 -9.069 1.00 24.04 H new ATOM 0 HD3 PRO A 53 11.034 -9.236 -10.728 1.00 24.04 H new ATOM 821 N PHE A 54 7.060 -7.099 -7.684 1.00 51.40 N ATOM 822 CA PHE A 54 6.301 -7.205 -6.452 1.00 44.12 C ATOM 823 C PHE A 54 5.371 -8.415 -6.593 1.00 71.02 C ATOM 824 O PHE A 54 4.831 -8.710 -7.665 1.00 22.31 O ATOM 825 CB PHE A 54 5.580 -5.892 -6.118 1.00 73.22 C ATOM 826 CG PHE A 54 5.534 -5.595 -4.627 1.00 51.50 C ATOM 827 CD1 PHE A 54 4.663 -6.295 -3.772 1.00 73.00 C ATOM 828 CD2 PHE A 54 6.357 -4.590 -4.088 1.00 42.23 C ATOM 829 CE1 PHE A 54 4.586 -5.973 -2.405 1.00 24.15 C ATOM 830 CE2 PHE A 54 6.280 -4.259 -2.725 1.00 53.22 C ATOM 831 CZ PHE A 54 5.388 -4.943 -1.884 1.00 13.22 C ATOM 0 H PHE A 54 6.691 -6.438 -8.367 1.00 51.40 H new ATOM 0 HA PHE A 54 6.956 -7.370 -5.596 1.00 44.12 H new ATOM 0 HB2 PHE A 54 6.080 -5.070 -6.630 1.00 73.22 H new ATOM 0 HB3 PHE A 54 4.562 -5.936 -6.505 1.00 73.22 H new ATOM 0 HD1 PHE A 54 4.047 -7.088 -4.170 1.00 73.00 H new ATOM 0 HD2 PHE A 54 7.054 -4.068 -4.727 1.00 42.23 H new ATOM 0 HE1 PHE A 54 3.913 -6.515 -1.758 1.00 24.15 H new ATOM 0 HE2 PHE A 54 6.908 -3.477 -2.324 1.00 53.22 H new ATOM 0 HZ PHE A 54 5.318 -4.678 -0.839 1.00 13.22 H new ATOM 841 N THR A 55 5.221 -9.132 -5.492 1.00 32.02 N ATOM 842 CA THR A 55 4.527 -10.399 -5.338 1.00 31.21 C ATOM 843 C THR A 55 3.612 -10.367 -4.103 1.00 52.52 C ATOM 844 O THR A 55 3.777 -9.533 -3.207 1.00 62.24 O ATOM 845 CB THR A 55 5.589 -11.503 -5.182 1.00 2.31 C ATOM 846 OG1 THR A 55 6.370 -11.275 -4.018 1.00 31.31 O ATOM 847 CG2 THR A 55 6.546 -11.620 -6.372 1.00 50.50 C ATOM 0 H THR A 55 5.616 -8.815 -4.607 1.00 32.02 H new ATOM 0 HA THR A 55 3.902 -10.591 -6.210 1.00 31.21 H new ATOM 0 HB THR A 55 5.026 -12.434 -5.114 1.00 2.31 H new ATOM 0 HG1 THR A 55 6.821 -10.408 -4.091 1.00 31.31 H new ATOM 0 HG21 THR A 55 7.263 -12.419 -6.185 1.00 50.50 H new ATOM 0 HG22 THR A 55 5.978 -11.846 -7.275 1.00 50.50 H new ATOM 0 HG23 THR A 55 7.079 -10.678 -6.504 1.00 50.50 H new ATOM 855 N LYS A 56 2.708 -11.345 -3.993 1.00 44.53 N ATOM 856 CA LYS A 56 1.933 -11.596 -2.777 1.00 3.53 C ATOM 857 C LYS A 56 2.780 -12.169 -1.636 1.00 74.21 C ATOM 858 O LYS A 56 2.281 -12.246 -0.519 1.00 54.10 O ATOM 859 CB LYS A 56 0.747 -12.531 -3.107 1.00 52.22 C ATOM 860 CG LYS A 56 -0.610 -11.811 -3.033 1.00 42.53 C ATOM 861 CD LYS A 56 -1.616 -12.266 -4.102 1.00 3.14 C ATOM 862 CE LYS A 56 -2.164 -13.677 -3.856 1.00 5.55 C ATOM 863 NZ LYS A 56 -1.419 -14.733 -4.575 1.00 21.34 N ATOM 0 H LYS A 56 2.493 -11.990 -4.753 1.00 44.53 H new ATOM 0 HA LYS A 56 1.558 -10.636 -2.421 1.00 3.53 H new ATOM 0 HB2 LYS A 56 0.881 -12.944 -4.107 1.00 52.22 H new ATOM 0 HB3 LYS A 56 0.747 -13.371 -2.413 1.00 52.22 H new ATOM 0 HG2 LYS A 56 -1.044 -11.975 -2.047 1.00 42.53 H new ATOM 0 HG3 LYS A 56 -0.447 -10.738 -3.135 1.00 42.53 H new ATOM 0 HD2 LYS A 56 -2.447 -11.561 -4.133 1.00 3.14 H new ATOM 0 HD3 LYS A 56 -1.136 -12.235 -5.080 1.00 3.14 H new ATOM 0 HE2 LYS A 56 -2.136 -13.888 -2.787 1.00 5.55 H new ATOM 0 HE3 LYS A 56 -3.210 -13.710 -4.160 1.00 5.55 H new ATOM 0 HZ1 LYS A 56 -1.841 -15.660 -4.365 1.00 21.34 H new ATOM 0 HZ2 LYS A 56 -1.466 -14.555 -5.599 1.00 21.34 H new ATOM 0 HZ3 LYS A 56 -0.425 -14.727 -4.268 1.00 21.34 H new ATOM 877 N GLU A 57 4.028 -12.583 -1.878 1.00 15.41 N ATOM 878 CA GLU A 57 4.805 -13.314 -0.884 1.00 33.21 C ATOM 879 C GLU A 57 5.125 -12.451 0.336 1.00 3.45 C ATOM 880 O GLU A 57 4.990 -12.911 1.470 1.00 44.40 O ATOM 881 CB GLU A 57 6.117 -13.805 -1.503 1.00 31.15 C ATOM 882 CG GLU A 57 6.807 -14.825 -0.579 1.00 64.33 C ATOM 883 CD GLU A 57 8.283 -14.983 -0.900 1.00 22.44 C ATOM 884 OE1 GLU A 57 8.618 -15.762 -1.834 1.00 42.54 O ATOM 885 OE2 GLU A 57 9.114 -14.297 -0.253 1.00 4.54 O ATOM 0 H GLU A 57 4.519 -12.421 -2.758 1.00 15.41 H new ATOM 0 HA GLU A 57 4.200 -14.160 -0.558 1.00 33.21 H new ATOM 0 HB2 GLU A 57 5.919 -14.261 -2.473 1.00 31.15 H new ATOM 0 HB3 GLU A 57 6.781 -12.959 -1.679 1.00 31.15 H new ATOM 0 HG2 GLU A 57 6.694 -14.508 0.458 1.00 64.33 H new ATOM 0 HG3 GLU A 57 6.311 -15.791 -0.673 1.00 64.33 H new ATOM 892 N LYS A 58 5.657 -11.247 0.098 1.00 21.15 N ATOM 893 CA LYS A 58 6.173 -10.383 1.155 1.00 12.33 C ATOM 894 C LYS A 58 4.988 -9.653 1.750 1.00 33.05 C ATOM 895 O LYS A 58 4.603 -9.942 2.878 1.00 55.23 O ATOM 896 CB LYS A 58 7.261 -9.417 0.654 1.00 41.52 C ATOM 897 CG LYS A 58 8.466 -10.174 0.082 1.00 53.12 C ATOM 898 CD LYS A 58 8.373 -10.364 -1.431 1.00 33.44 C ATOM 899 CE LYS A 58 9.205 -11.537 -1.936 1.00 35.33 C ATOM 900 NZ LYS A 58 9.097 -11.647 -3.398 1.00 11.32 N ATOM 0 H LYS A 58 5.740 -10.847 -0.837 1.00 21.15 H new ATOM 0 HA LYS A 58 6.671 -10.984 1.916 1.00 12.33 H new ATOM 0 HB2 LYS A 58 6.844 -8.763 -0.112 1.00 41.52 H new ATOM 0 HB3 LYS A 58 7.588 -8.778 1.475 1.00 41.52 H new ATOM 0 HG2 LYS A 58 9.380 -9.630 0.321 1.00 53.12 H new ATOM 0 HG3 LYS A 58 8.540 -11.149 0.564 1.00 53.12 H new ATOM 0 HD2 LYS A 58 7.330 -10.519 -1.709 1.00 33.44 H new ATOM 0 HD3 LYS A 58 8.703 -9.451 -1.927 1.00 33.44 H new ATOM 0 HE2 LYS A 58 10.248 -11.401 -1.651 1.00 35.33 H new ATOM 0 HE3 LYS A 58 8.864 -12.461 -1.469 1.00 35.33 H new ATOM 0 HZ1 LYS A 58 9.584 -12.508 -3.718 1.00 11.32 H new ATOM 0 HZ2 LYS A 58 8.094 -11.696 -3.669 1.00 11.32 H new ATOM 0 HZ3 LYS A 58 9.536 -10.815 -3.842 1.00 11.32 H new ATOM 914 N TRP A 59 4.406 -8.771 0.931 1.00 20.34 N ATOM 915 CA TRP A 59 3.176 -8.041 1.186 1.00 62.10 C ATOM 916 C TRP A 59 3.152 -7.476 2.619 1.00 35.05 C ATOM 917 O TRP A 59 2.544 -8.097 3.497 1.00 40.53 O ATOM 918 CB TRP A 59 1.987 -8.942 0.827 1.00 24.21 C ATOM 919 CG TRP A 59 0.670 -8.245 0.873 1.00 64.43 C ATOM 920 CD1 TRP A 59 -0.159 -8.236 1.937 1.00 21.03 C ATOM 921 CD2 TRP A 59 0.128 -7.277 -0.072 1.00 15.34 C ATOM 922 NE1 TRP A 59 -1.164 -7.323 1.724 1.00 31.31 N ATOM 923 CE2 TRP A 59 -1.031 -6.689 0.513 1.00 54.42 C ATOM 924 CE3 TRP A 59 0.586 -6.725 -1.288 1.00 22.01 C ATOM 925 CZ2 TRP A 59 -1.704 -5.612 -0.077 1.00 44.52 C ATOM 926 CZ3 TRP A 59 -0.065 -5.621 -1.871 1.00 51.10 C ATOM 927 CH2 TRP A 59 -1.207 -5.074 -1.270 1.00 15.23 C ATOM 0 H TRP A 59 4.809 -8.540 0.023 1.00 20.34 H new ATOM 0 HA TRP A 59 3.107 -7.158 0.550 1.00 62.10 H new ATOM 0 HB2 TRP A 59 2.139 -9.347 -0.174 1.00 24.21 H new ATOM 0 HB3 TRP A 59 1.964 -9.788 1.513 1.00 24.21 H new ATOM 0 HD1 TRP A 59 -0.050 -8.850 2.819 1.00 21.03 H new ATOM 0 HE1 TRP A 59 -1.918 -7.138 2.386 1.00 31.31 H new ATOM 0 HE3 TRP A 59 1.447 -7.155 -1.778 1.00 22.01 H new ATOM 0 HZ2 TRP A 59 -2.592 -5.203 0.381 1.00 44.52 H new ATOM 0 HZ3 TRP A 59 0.318 -5.193 -2.786 1.00 51.10 H new ATOM 0 HH2 TRP A 59 -1.706 -4.234 -1.729 1.00 15.23 H new ATOM 938 N PRO A 60 3.838 -6.347 2.887 1.00 20.32 N ATOM 939 CA PRO A 60 3.754 -5.672 4.176 1.00 72.24 C ATOM 940 C PRO A 60 2.298 -5.276 4.428 1.00 15.12 C ATOM 941 O PRO A 60 1.678 -4.592 3.613 1.00 42.52 O ATOM 942 CB PRO A 60 4.715 -4.482 4.108 1.00 13.14 C ATOM 943 CG PRO A 60 4.832 -4.191 2.616 1.00 24.21 C ATOM 944 CD PRO A 60 4.652 -5.563 1.965 1.00 12.14 C ATOM 0 HA PRO A 60 4.047 -6.302 5.016 1.00 72.24 H new ATOM 0 HB2 PRO A 60 4.326 -3.622 4.654 1.00 13.14 H new ATOM 0 HB3 PRO A 60 5.684 -4.725 4.545 1.00 13.14 H new ATOM 0 HG2 PRO A 60 4.069 -3.487 2.284 1.00 24.21 H new ATOM 0 HG3 PRO A 60 5.799 -3.754 2.368 1.00 24.21 H new ATOM 0 HD2 PRO A 60 4.163 -5.472 0.995 1.00 12.14 H new ATOM 0 HD3 PRO A 60 5.616 -6.042 1.793 1.00 12.14 H new ATOM 952 N LEU A 61 1.724 -5.814 5.498 1.00 40.12 N ATOM 953 CA LEU A 61 0.327 -5.684 5.875 1.00 73.41 C ATOM 954 C LEU A 61 0.012 -4.221 6.168 1.00 32.45 C ATOM 955 O LEU A 61 0.526 -3.656 7.138 1.00 71.31 O ATOM 956 CB LEU A 61 0.050 -6.605 7.076 1.00 61.32 C ATOM 957 CG LEU A 61 -0.187 -8.070 6.658 1.00 20.04 C ATOM 958 CD1 LEU A 61 -0.223 -8.962 7.902 1.00 51.20 C ATOM 959 CD2 LEU A 61 -1.479 -8.255 5.852 1.00 3.32 C ATOM 0 H LEU A 61 2.252 -6.383 6.160 1.00 40.12 H new ATOM 0 HA LEU A 61 -0.329 -5.994 5.061 1.00 73.41 H new ATOM 0 HB2 LEU A 61 0.893 -6.560 7.766 1.00 61.32 H new ATOM 0 HB3 LEU A 61 -0.824 -6.239 7.616 1.00 61.32 H new ATOM 0 HG LEU A 61 0.641 -8.357 6.009 1.00 20.04 H new ATOM 0 HD11 LEU A 61 -0.391 -9.997 7.603 1.00 51.20 H new ATOM 0 HD12 LEU A 61 0.727 -8.887 8.431 1.00 51.20 H new ATOM 0 HD13 LEU A 61 -1.031 -8.639 8.558 1.00 51.20 H new ATOM 0 HD21 LEU A 61 -1.594 -9.306 5.585 1.00 3.32 H new ATOM 0 HD22 LEU A 61 -2.331 -7.938 6.453 1.00 3.32 H new ATOM 0 HD23 LEU A 61 -1.431 -7.653 4.944 1.00 3.32 H new ATOM 971 N LEU A 62 -0.768 -3.588 5.287 1.00 61.00 N ATOM 972 CA LEU A 62 -1.107 -2.171 5.390 1.00 42.21 C ATOM 973 C LEU A 62 -1.993 -1.978 6.612 1.00 33.41 C ATOM 974 O LEU A 62 -2.851 -2.821 6.887 1.00 40.52 O ATOM 975 CB LEU A 62 -1.860 -1.661 4.146 1.00 11.53 C ATOM 976 CG LEU A 62 -1.120 -1.674 2.794 1.00 44.44 C ATOM 977 CD1 LEU A 62 0.337 -1.218 2.867 1.00 34.31 C ATOM 978 CD2 LEU A 62 -1.221 -3.031 2.093 1.00 21.01 C ATOM 0 H LEU A 62 -1.183 -4.050 4.478 1.00 61.00 H new ATOM 0 HA LEU A 62 -0.179 -1.604 5.473 1.00 42.21 H new ATOM 0 HB2 LEU A 62 -2.766 -2.258 4.036 1.00 11.53 H new ATOM 0 HB3 LEU A 62 -2.175 -0.637 4.344 1.00 11.53 H new ATOM 0 HG LEU A 62 -1.643 -0.929 2.194 1.00 44.44 H new ATOM 0 HD11 LEU A 62 0.781 -1.258 1.872 1.00 34.31 H new ATOM 0 HD12 LEU A 62 0.380 -0.196 3.243 1.00 34.31 H new ATOM 0 HD13 LEU A 62 0.891 -1.875 3.538 1.00 34.31 H new ATOM 0 HD21 LEU A 62 -0.685 -2.992 1.145 1.00 21.01 H new ATOM 0 HD22 LEU A 62 -0.782 -3.801 2.727 1.00 21.01 H new ATOM 0 HD23 LEU A 62 -2.269 -3.268 1.908 1.00 21.01 H new ATOM 990 N ASP A 63 -1.886 -0.847 7.293 1.00 61.34 N ATOM 991 CA ASP A 63 -2.552 -0.569 8.568 1.00 31.01 C ATOM 992 C ASP A 63 -3.369 0.708 8.453 1.00 53.44 C ATOM 993 O ASP A 63 -3.561 1.215 7.349 1.00 55.54 O ATOM 994 CB ASP A 63 -1.524 -0.476 9.707 1.00 60.10 C ATOM 995 CG ASP A 63 -0.437 0.553 9.420 1.00 21.35 C ATOM 996 OD1 ASP A 63 -0.781 1.736 9.208 1.00 34.34 O ATOM 997 OD2 ASP A 63 0.748 0.131 9.347 1.00 0.22 O ATOM 0 H ASP A 63 -1.315 -0.067 6.967 1.00 61.34 H new ATOM 0 HA ASP A 63 -3.229 -1.390 8.805 1.00 31.01 H new ATOM 0 HB2 ASP A 63 -2.034 -0.214 10.634 1.00 60.10 H new ATOM 0 HB3 ASP A 63 -1.065 -1.453 9.861 1.00 60.10 H new ATOM 1002 N SER A 64 -3.953 1.155 9.561 1.00 2.22 N ATOM 1003 CA SER A 64 -4.801 2.330 9.651 1.00 32.23 C ATOM 1004 C SER A 64 -4.078 3.497 10.320 1.00 54.11 C ATOM 1005 O SER A 64 -4.611 4.610 10.335 1.00 52.23 O ATOM 1006 CB SER A 64 -6.086 1.979 10.408 1.00 71.42 C ATOM 1007 OG SER A 64 -7.019 1.386 9.524 1.00 75.34 O ATOM 0 H SER A 64 -3.840 0.684 10.459 1.00 2.22 H new ATOM 0 HA SER A 64 -5.055 2.649 8.640 1.00 32.23 H new ATOM 0 HB2 SER A 64 -5.861 1.295 11.226 1.00 71.42 H new ATOM 0 HB3 SER A 64 -6.514 2.878 10.853 1.00 71.42 H new ATOM 0 HG SER A 64 -7.838 1.162 10.014 1.00 75.34 H new ATOM 1013 N GLU A 65 -2.877 3.273 10.852 1.00 12.52 N ATOM 1014 CA GLU A 65 -2.087 4.325 11.465 1.00 4.35 C ATOM 1015 C GLU A 65 -1.317 5.126 10.425 1.00 73.04 C ATOM 1016 O GLU A 65 -0.964 6.267 10.705 1.00 63.44 O ATOM 1017 CB GLU A 65 -1.175 3.776 12.564 1.00 22.04 C ATOM 1018 CG GLU A 65 -0.290 2.598 12.156 1.00 40.31 C ATOM 1019 CD GLU A 65 0.633 2.177 13.309 1.00 73.44 C ATOM 1020 OE1 GLU A 65 1.733 2.759 13.442 1.00 21.14 O ATOM 1021 OE2 GLU A 65 0.245 1.282 14.094 1.00 74.23 O ATOM 0 H GLU A 65 -2.430 2.356 10.867 1.00 12.52 H new ATOM 0 HA GLU A 65 -2.779 5.016 11.946 1.00 4.35 H new ATOM 0 HB2 GLU A 65 -0.535 4.584 12.918 1.00 22.04 H new ATOM 0 HB3 GLU A 65 -1.795 3.468 13.406 1.00 22.04 H new ATOM 0 HG2 GLU A 65 -0.914 1.755 11.859 1.00 40.31 H new ATOM 0 HG3 GLU A 65 0.309 2.872 11.288 1.00 40.31 H new ATOM 1028 N THR A 66 -1.139 4.602 9.216 1.00 43.33 N ATOM 1029 CA THR A 66 -0.705 5.389 8.065 1.00 42.41 C ATOM 1030 C THR A 66 -1.887 5.724 7.136 1.00 72.21 C ATOM 1031 O THR A 66 -1.884 6.789 6.515 1.00 64.31 O ATOM 1032 CB THR A 66 0.445 4.647 7.356 1.00 63.24 C ATOM 1033 OG1 THR A 66 1.380 4.137 8.294 1.00 61.21 O ATOM 1034 CG2 THR A 66 1.219 5.554 6.396 1.00 2.51 C ATOM 0 H THR A 66 -1.292 3.616 9.006 1.00 43.33 H new ATOM 0 HA THR A 66 -0.322 6.354 8.396 1.00 42.41 H new ATOM 0 HB THR A 66 -0.028 3.839 6.798 1.00 63.24 H new ATOM 0 HG1 THR A 66 2.098 3.669 7.819 1.00 61.21 H new ATOM 0 HG21 THR A 66 2.018 4.984 5.922 1.00 2.51 H new ATOM 0 HG22 THR A 66 0.543 5.936 5.631 1.00 2.51 H new ATOM 0 HG23 THR A 66 1.648 6.389 6.950 1.00 2.51 H new ATOM 1042 N MET A 67 -2.933 4.889 7.073 1.00 51.30 N ATOM 1043 CA MET A 67 -4.034 5.021 6.104 1.00 40.21 C ATOM 1044 C MET A 67 -5.168 5.869 6.685 1.00 54.11 C ATOM 1045 O MET A 67 -6.324 5.433 6.751 1.00 63.01 O ATOM 1046 CB MET A 67 -4.562 3.649 5.655 1.00 72.32 C ATOM 1047 CG MET A 67 -3.609 2.857 4.753 1.00 35.23 C ATOM 1048 SD MET A 67 -3.540 3.346 3.001 1.00 41.43 S ATOM 1049 CE MET A 67 -5.292 3.458 2.524 1.00 35.32 C ATOM 0 H MET A 67 -3.041 4.092 7.701 1.00 51.30 H new ATOM 0 HA MET A 67 -3.636 5.526 5.224 1.00 40.21 H new ATOM 0 HB2 MET A 67 -4.781 3.052 6.540 1.00 72.32 H new ATOM 0 HB3 MET A 67 -5.504 3.793 5.126 1.00 72.32 H new ATOM 0 HG2 MET A 67 -2.604 2.937 5.168 1.00 35.23 H new ATOM 0 HG3 MET A 67 -3.891 1.805 4.801 1.00 35.23 H new ATOM 0 HE1 MET A 67 -5.375 3.448 1.437 1.00 35.32 H new ATOM 0 HE2 MET A 67 -5.837 2.609 2.937 1.00 35.32 H new ATOM 0 HE3 MET A 67 -5.716 4.384 2.911 1.00 35.32 H new ATOM 1059 N LYS A 68 -4.849 7.081 7.117 1.00 73.22 N ATOM 1060 CA LYS A 68 -5.795 8.100 7.551 1.00 74.43 C ATOM 1061 C LYS A 68 -5.606 9.339 6.682 1.00 63.42 C ATOM 1062 O LYS A 68 -4.585 9.442 6.002 1.00 63.11 O ATOM 1063 CB LYS A 68 -5.533 8.353 9.039 1.00 1.55 C ATOM 1064 CG LYS A 68 -4.144 8.961 9.327 1.00 63.02 C ATOM 1065 CD LYS A 68 -3.332 8.141 10.338 1.00 44.40 C ATOM 1066 CE LYS A 68 -3.789 8.444 11.771 1.00 2.11 C ATOM 1067 NZ LYS A 68 -2.811 7.984 12.776 1.00 62.33 N ATOM 0 H LYS A 68 -3.880 7.395 7.177 1.00 73.22 H new ATOM 0 HA LYS A 68 -6.835 7.794 7.437 1.00 74.43 H new ATOM 0 HB2 LYS A 68 -6.301 9.023 9.426 1.00 1.55 H new ATOM 0 HB3 LYS A 68 -5.628 7.412 9.581 1.00 1.55 H new ATOM 0 HG2 LYS A 68 -3.585 9.035 8.394 1.00 63.02 H new ATOM 0 HG3 LYS A 68 -4.268 9.975 9.706 1.00 63.02 H new ATOM 0 HD2 LYS A 68 -3.450 7.078 10.130 1.00 44.40 H new ATOM 0 HD3 LYS A 68 -2.272 8.371 10.233 1.00 44.40 H new ATOM 0 HE2 LYS A 68 -3.944 9.517 11.882 1.00 2.11 H new ATOM 0 HE3 LYS A 68 -4.750 7.962 11.954 1.00 2.11 H new ATOM 0 HZ1 LYS A 68 -3.301 7.438 13.513 1.00 62.33 H new ATOM 0 HZ2 LYS A 68 -2.098 7.383 12.316 1.00 62.33 H new ATOM 0 HZ3 LYS A 68 -2.344 8.807 13.208 1.00 62.33 H new ATOM 1081 N GLU A 69 -6.538 10.288 6.710 1.00 24.05 N ATOM 1082 CA GLU A 69 -6.374 11.559 6.026 1.00 41.10 C ATOM 1083 C GLU A 69 -6.171 12.628 7.088 1.00 0.43 C ATOM 1084 O GLU A 69 -7.125 13.036 7.750 1.00 21.44 O ATOM 1085 CB GLU A 69 -7.576 11.854 5.123 1.00 64.04 C ATOM 1086 CG GLU A 69 -7.696 10.853 3.965 1.00 74.30 C ATOM 1087 CD GLU A 69 -9.123 10.336 3.797 1.00 42.24 C ATOM 1088 OE1 GLU A 69 -9.971 11.097 3.273 1.00 73.42 O ATOM 1089 OE2 GLU A 69 -9.388 9.150 4.100 1.00 15.45 O ATOM 0 H GLU A 69 -7.424 10.194 7.207 1.00 24.05 H new ATOM 0 HA GLU A 69 -5.506 11.536 5.367 1.00 41.10 H new ATOM 0 HB2 GLU A 69 -8.489 11.829 5.718 1.00 64.04 H new ATOM 0 HB3 GLU A 69 -7.486 12.863 4.720 1.00 64.04 H new ATOM 0 HG2 GLU A 69 -7.372 11.330 3.040 1.00 74.30 H new ATOM 0 HG3 GLU A 69 -7.025 10.012 4.142 1.00 74.30 H new ATOM 1096 N GLU A 70 -4.939 13.094 7.265 1.00 71.30 N ATOM 1097 CA GLU A 70 -4.597 14.177 8.177 1.00 4.13 C ATOM 1098 C GLU A 70 -3.564 15.061 7.486 1.00 22.45 C ATOM 1099 O GLU A 70 -2.787 14.579 6.664 1.00 73.24 O ATOM 1100 CB GLU A 70 -4.023 13.605 9.484 1.00 33.04 C ATOM 1101 CG GLU A 70 -4.078 14.589 10.663 1.00 14.31 C ATOM 1102 CD GLU A 70 -5.512 14.771 11.162 1.00 14.14 C ATOM 1103 OE1 GLU A 70 -5.960 13.925 11.973 1.00 54.42 O ATOM 1104 OE2 GLU A 70 -6.199 15.721 10.729 1.00 34.45 O ATOM 0 H GLU A 70 -4.132 12.719 6.766 1.00 71.30 H new ATOM 0 HA GLU A 70 -5.484 14.760 8.426 1.00 4.13 H new ATOM 0 HB2 GLU A 70 -4.574 12.703 9.749 1.00 33.04 H new ATOM 0 HB3 GLU A 70 -2.987 13.309 9.317 1.00 33.04 H new ATOM 0 HG2 GLU A 70 -3.451 14.223 11.476 1.00 14.31 H new ATOM 0 HG3 GLU A 70 -3.672 15.553 10.356 1.00 14.31 H new ATOM 1111 N ARG A 71 -3.502 16.333 7.870 1.00 31.34 N ATOM 1112 CA ARG A 71 -2.481 17.292 7.466 1.00 53.22 C ATOM 1113 C ARG A 71 -1.818 17.748 8.766 1.00 51.50 C ATOM 1114 O ARG A 71 -2.516 18.119 9.713 1.00 55.30 O ATOM 1115 CB ARG A 71 -3.143 18.477 6.741 1.00 24.33 C ATOM 1116 CG ARG A 71 -2.116 19.177 5.850 1.00 22.12 C ATOM 1117 CD ARG A 71 -2.337 20.685 5.773 1.00 15.13 C ATOM 1118 NE ARG A 71 -3.588 21.045 5.089 1.00 55.40 N ATOM 1119 CZ ARG A 71 -4.226 22.215 5.219 1.00 55.13 C ATOM 1120 NH1 ARG A 71 -3.716 23.178 5.981 1.00 34.42 N ATOM 1121 NH2 ARG A 71 -5.379 22.425 4.601 1.00 51.15 N ATOM 0 H ARG A 71 -4.194 16.740 8.499 1.00 31.34 H new ATOM 0 HA ARG A 71 -1.752 16.862 6.779 1.00 53.22 H new ATOM 0 HB2 ARG A 71 -3.981 18.125 6.139 1.00 24.33 H new ATOM 0 HB3 ARG A 71 -3.547 19.181 7.469 1.00 24.33 H new ATOM 0 HG2 ARG A 71 -1.114 18.979 6.232 1.00 22.12 H new ATOM 0 HG3 ARG A 71 -2.164 18.755 4.846 1.00 22.12 H new ATOM 0 HD2 ARG A 71 -2.349 21.098 6.782 1.00 15.13 H new ATOM 0 HD3 ARG A 71 -1.498 21.144 5.250 1.00 15.13 H new ATOM 0 HE ARG A 71 -4.002 20.350 4.468 1.00 55.40 H new ATOM 0 HH11 ARG A 71 -2.834 23.028 6.471 1.00 34.42 H new ATOM 0 HH12 ARG A 71 -4.207 24.067 6.076 1.00 34.42 H new ATOM 0 HH21 ARG A 71 -5.787 21.692 4.021 1.00 51.15 H new ATOM 0 HH22 ARG A 71 -5.858 23.319 4.706 1.00 51.15 H new ATOM 1135 N ILE A 72 -0.497 17.693 8.847 1.00 61.32 N ATOM 1136 CA ILE A 72 0.305 17.955 10.021 1.00 2.55 C ATOM 1137 C ILE A 72 1.366 18.980 9.629 1.00 64.21 C ATOM 1138 O ILE A 72 2.378 18.674 8.999 1.00 14.13 O ATOM 1139 CB ILE A 72 0.936 16.667 10.598 1.00 60.02 C ATOM 1140 CG1 ILE A 72 -0.024 15.456 10.703 1.00 42.31 C ATOM 1141 CG2 ILE A 72 1.445 17.034 12.004 1.00 34.15 C ATOM 1142 CD1 ILE A 72 -0.142 14.595 9.438 1.00 43.34 C ATOM 0 H ILE A 72 0.075 17.448 8.039 1.00 61.32 H new ATOM 0 HA ILE A 72 -0.324 18.348 10.819 1.00 2.55 H new ATOM 0 HB ILE A 72 1.720 16.341 9.915 1.00 60.02 H new ATOM 0 HG12 ILE A 72 0.309 14.821 11.524 1.00 42.31 H new ATOM 0 HG13 ILE A 72 -1.016 15.823 10.966 1.00 42.31 H new ATOM 0 HG21 ILE A 72 1.904 16.159 12.465 1.00 34.15 H new ATOM 0 HG22 ILE A 72 2.183 17.832 11.927 1.00 34.15 H new ATOM 0 HG23 ILE A 72 0.609 17.371 12.617 1.00 34.15 H new ATOM 0 HD11 ILE A 72 -0.838 13.776 9.619 1.00 43.34 H new ATOM 0 HD12 ILE A 72 -0.509 15.207 8.614 1.00 43.34 H new ATOM 0 HD13 ILE A 72 0.837 14.190 9.181 1.00 43.34 H new ATOM 1154 N THR A 73 1.125 20.227 9.992 1.00 63.30 N ATOM 1155 CA THR A 73 1.931 21.389 9.831 1.00 3.22 C ATOM 1156 C THR A 73 3.151 21.337 10.765 1.00 71.41 C ATOM 1157 O THR A 73 3.226 22.096 11.741 1.00 61.40 O ATOM 1158 CB THR A 73 0.943 22.523 10.169 1.00 13.45 C ATOM 1159 OG1 THR A 73 -0.395 22.282 9.736 1.00 11.55 O ATOM 1160 CG2 THR A 73 1.379 23.733 9.410 1.00 33.21 C ATOM 0 H THR A 73 0.250 20.459 10.462 1.00 63.30 H new ATOM 0 HA THR A 73 2.367 21.510 8.839 1.00 3.22 H new ATOM 0 HB THR A 73 0.948 22.622 11.254 1.00 13.45 H new ATOM 0 HG1 THR A 73 -0.944 22.014 10.502 1.00 11.55 H new ATOM 0 HG21 THR A 73 0.702 24.560 9.624 1.00 33.21 H new ATOM 0 HG22 THR A 73 2.391 24.006 9.710 1.00 33.21 H new ATOM 0 HG23 THR A 73 1.363 23.518 8.342 1.00 33.21 H new ATOM 1168 N GLN A 74 4.072 20.403 10.512 1.00 11.35 N ATOM 1169 CA GLN A 74 5.323 20.286 11.246 1.00 42.12 C ATOM 1170 C GLN A 74 6.200 21.506 10.952 1.00 12.22 C ATOM 1171 O GLN A 74 5.948 22.291 10.036 1.00 1.34 O ATOM 1172 CB GLN A 74 6.065 18.978 10.896 1.00 54.50 C ATOM 1173 CG GLN A 74 5.225 17.709 11.092 1.00 33.42 C ATOM 1174 CD GLN A 74 6.025 16.425 10.864 1.00 42.12 C ATOM 1175 OE1 GLN A 74 7.200 16.461 10.522 1.00 54.50 O ATOM 1176 NE2 GLN A 74 5.421 15.258 10.994 1.00 43.12 N ATOM 0 H GLN A 74 3.963 19.700 9.781 1.00 11.35 H new ATOM 0 HA GLN A 74 5.099 20.251 12.312 1.00 42.12 H new ATOM 0 HB2 GLN A 74 6.394 19.026 9.858 1.00 54.50 H new ATOM 0 HB3 GLN A 74 6.962 18.906 11.511 1.00 54.50 H new ATOM 0 HG2 GLN A 74 4.817 17.702 12.103 1.00 33.42 H new ATOM 0 HG3 GLN A 74 4.378 17.730 10.406 1.00 33.42 H new ATOM 0 HE21 GLN A 74 4.442 15.219 11.279 1.00 43.12 H new ATOM 0 HE22 GLN A 74 5.933 14.395 10.810 1.00 43.12 H new ATOM 1185 N GLU A 75 7.255 21.671 11.735 1.00 1.44 N ATOM 1186 CA GLU A 75 8.229 22.753 11.621 1.00 75.13 C ATOM 1187 C GLU A 75 9.618 22.175 11.332 1.00 63.10 C ATOM 1188 O GLU A 75 10.572 22.920 11.098 1.00 2.54 O ATOM 1189 CB GLU A 75 8.222 23.547 12.932 1.00 60.00 C ATOM 1190 CG GLU A 75 6.911 24.310 13.168 1.00 33.41 C ATOM 1191 CD GLU A 75 6.819 24.871 14.588 1.00 34.01 C ATOM 1192 OE1 GLU A 75 7.854 25.151 15.234 1.00 54.30 O ATOM 1193 OE2 GLU A 75 5.677 24.998 15.085 1.00 15.35 O ATOM 0 H GLU A 75 7.467 21.030 12.499 1.00 1.44 H new ATOM 0 HA GLU A 75 7.969 23.417 10.797 1.00 75.13 H new ATOM 0 HB2 GLU A 75 8.393 22.864 13.764 1.00 60.00 H new ATOM 0 HB3 GLU A 75 9.051 24.255 12.925 1.00 60.00 H new ATOM 0 HG2 GLU A 75 6.833 25.127 12.450 1.00 33.41 H new ATOM 0 HG3 GLU A 75 6.067 23.645 12.986 1.00 33.41 H new ATOM 1200 N GLU A 76 9.736 20.847 11.345 1.00 22.31 N ATOM 1201 CA GLU A 76 10.979 20.095 11.262 1.00 41.21 C ATOM 1202 C GLU A 76 11.161 19.441 9.887 1.00 52.44 C ATOM 1203 O GLU A 76 12.059 18.613 9.711 1.00 34.43 O ATOM 1204 CB GLU A 76 10.993 19.052 12.386 1.00 34.31 C ATOM 1205 CG GLU A 76 10.977 19.692 13.780 1.00 22.15 C ATOM 1206 CD GLU A 76 11.428 18.716 14.867 1.00 35.31 C ATOM 1207 OE1 GLU A 76 11.241 17.481 14.727 1.00 0.52 O ATOM 1208 OE2 GLU A 76 12.052 19.181 15.845 1.00 52.43 O ATOM 0 H GLU A 76 8.921 20.239 11.418 1.00 22.31 H new ATOM 0 HA GLU A 76 11.820 20.778 11.385 1.00 41.21 H new ATOM 0 HB2 GLU A 76 10.128 18.397 12.280 1.00 34.31 H new ATOM 0 HB3 GLU A 76 11.880 18.427 12.287 1.00 34.31 H new ATOM 0 HG2 GLU A 76 11.629 20.565 13.785 1.00 22.15 H new ATOM 0 HG3 GLU A 76 9.970 20.044 14.005 1.00 22.15 H new ATOM 1215 N GLY A 77 10.313 19.785 8.917 1.00 64.03 N ATOM 1216 CA GLY A 77 10.501 19.385 7.534 1.00 41.53 C ATOM 1217 C GLY A 77 9.439 19.939 6.601 1.00 54.10 C ATOM 1218 O GLY A 77 9.749 20.141 5.426 1.00 11.32 O ATOM 0 H GLY A 77 9.478 20.349 9.075 1.00 64.03 H new ATOM 0 HA2 GLY A 77 11.482 19.719 7.196 1.00 41.53 H new ATOM 0 HA3 GLY A 77 10.496 18.297 7.474 1.00 41.53 H new ATOM 1222 N GLY A 78 8.221 20.217 7.084 1.00 63.02 N ATOM 1223 CA GLY A 78 7.183 20.716 6.201 1.00 22.11 C ATOM 1224 C GLY A 78 5.805 20.324 6.688 1.00 44.14 C ATOM 1225 O GLY A 78 5.588 20.066 7.870 1.00 74.40 O ATOM 0 H GLY A 78 7.943 20.105 8.059 1.00 63.02 H new ATOM 0 HA2 GLY A 78 7.251 21.802 6.135 1.00 22.11 H new ATOM 0 HA3 GLY A 78 7.340 20.325 5.196 1.00 22.11 H new ATOM 1229 N ILE A 79 4.869 20.272 5.755 1.00 35.15 N ATOM 1230 CA ILE A 79 3.537 19.770 5.953 1.00 21.14 C ATOM 1231 C ILE A 79 3.558 18.276 5.690 1.00 52.30 C ATOM 1232 O ILE A 79 3.444 17.852 4.550 1.00 14.45 O ATOM 1233 CB ILE A 79 2.550 20.529 5.033 1.00 60.23 C ATOM 1234 CG1 ILE A 79 2.647 22.069 5.136 1.00 12.35 C ATOM 1235 CG2 ILE A 79 1.115 20.067 5.312 1.00 61.42 C ATOM 1236 CD1 ILE A 79 1.797 22.780 4.073 1.00 14.13 C ATOM 0 H ILE A 79 5.033 20.594 4.801 1.00 35.15 H new ATOM 0 HA ILE A 79 3.195 19.934 6.975 1.00 21.14 H new ATOM 0 HB ILE A 79 2.836 20.281 4.011 1.00 60.23 H new ATOM 0 HG12 ILE A 79 2.324 22.385 6.128 1.00 12.35 H new ATOM 0 HG13 ILE A 79 3.688 22.373 5.028 1.00 12.35 H new ATOM 0 HG21 ILE A 79 0.426 20.605 4.661 1.00 61.42 H new ATOM 0 HG22 ILE A 79 1.034 18.997 5.121 1.00 61.42 H new ATOM 0 HG23 ILE A 79 0.863 20.270 6.353 1.00 61.42 H new ATOM 0 HD11 ILE A 79 1.899 23.859 4.188 1.00 14.13 H new ATOM 0 HD12 ILE A 79 2.137 22.487 3.080 1.00 14.13 H new ATOM 0 HD13 ILE A 79 0.751 22.499 4.196 1.00 14.13 H new ATOM 1248 N TYR A 80 3.719 17.469 6.729 1.00 20.01 N ATOM 1249 CA TYR A 80 3.498 16.038 6.618 1.00 3.45 C ATOM 1250 C TYR A 80 1.993 15.862 6.432 1.00 1.51 C ATOM 1251 O TYR A 80 1.231 16.405 7.224 1.00 42.12 O ATOM 1252 CB TYR A 80 4.021 15.357 7.885 1.00 24.35 C ATOM 1253 CG TYR A 80 4.559 13.963 7.644 1.00 33.01 C ATOM 1254 CD1 TYR A 80 3.704 12.950 7.175 1.00 2.51 C ATOM 1255 CD2 TYR A 80 5.913 13.675 7.888 1.00 4.43 C ATOM 1256 CE1 TYR A 80 4.199 11.653 6.963 1.00 1.42 C ATOM 1257 CE2 TYR A 80 6.408 12.371 7.712 1.00 11.25 C ATOM 1258 CZ TYR A 80 5.551 11.350 7.241 1.00 2.55 C ATOM 1259 OH TYR A 80 6.015 10.087 7.025 1.00 21.42 O ATOM 0 H TYR A 80 4.002 17.783 7.657 1.00 20.01 H new ATOM 0 HA TYR A 80 4.025 15.582 5.780 1.00 3.45 H new ATOM 0 HB2 TYR A 80 4.809 15.972 8.319 1.00 24.35 H new ATOM 0 HB3 TYR A 80 3.216 15.305 8.619 1.00 24.35 H new ATOM 0 HD1 TYR A 80 2.665 13.170 6.978 1.00 2.51 H new ATOM 0 HD2 TYR A 80 6.578 14.461 8.213 1.00 4.43 H new ATOM 0 HE1 TYR A 80 3.543 10.883 6.585 1.00 1.42 H new ATOM 0 HE2 TYR A 80 7.441 12.150 7.936 1.00 11.25 H new ATOM 0 HH TYR A 80 6.964 10.042 7.264 1.00 21.42 H new ATOM 1269 N VAL A 81 1.510 15.194 5.395 1.00 24.14 N ATOM 1270 CA VAL A 81 0.082 15.019 5.155 1.00 0.12 C ATOM 1271 C VAL A 81 -0.173 13.640 4.558 1.00 51.10 C ATOM 1272 O VAL A 81 0.745 12.917 4.166 1.00 2.12 O ATOM 1273 CB VAL A 81 -0.492 16.245 4.412 1.00 32.22 C ATOM 1274 CG1 VAL A 81 0.334 16.769 3.263 1.00 2.12 C ATOM 1275 CG2 VAL A 81 -1.922 16.128 3.851 1.00 32.24 C ATOM 0 H VAL A 81 2.101 14.754 4.690 1.00 24.14 H new ATOM 0 HA VAL A 81 -0.493 15.007 6.081 1.00 0.12 H new ATOM 0 HB VAL A 81 -0.480 16.932 5.259 1.00 32.22 H new ATOM 0 HG11 VAL A 81 -0.166 17.629 2.818 1.00 2.12 H new ATOM 0 HG12 VAL A 81 1.316 17.070 3.628 1.00 2.12 H new ATOM 0 HG13 VAL A 81 0.450 15.988 2.512 1.00 2.12 H new ATOM 0 HG21 VAL A 81 -2.196 17.059 3.356 1.00 32.24 H new ATOM 0 HG22 VAL A 81 -1.965 15.309 3.133 1.00 32.24 H new ATOM 0 HG23 VAL A 81 -2.618 15.933 4.667 1.00 32.24 H new ATOM 1285 N SER A 82 -1.427 13.218 4.562 1.00 55.14 N ATOM 1286 CA SER A 82 -1.901 12.061 3.841 1.00 62.42 C ATOM 1287 C SER A 82 -3.276 12.425 3.306 1.00 14.55 C ATOM 1288 O SER A 82 -4.125 12.916 4.061 1.00 53.12 O ATOM 1289 CB SER A 82 -1.942 10.855 4.781 1.00 41.21 C ATOM 1290 OG SER A 82 -0.718 10.741 5.490 1.00 51.13 O ATOM 0 H SER A 82 -2.163 13.691 5.086 1.00 55.14 H new ATOM 0 HA SER A 82 -1.246 11.787 3.014 1.00 62.42 H new ATOM 0 HB2 SER A 82 -2.769 10.961 5.484 1.00 41.21 H new ATOM 0 HB3 SER A 82 -2.125 9.945 4.209 1.00 41.21 H new ATOM 0 HG SER A 82 -0.758 9.966 6.089 1.00 51.13 H new ATOM 1296 N LYS A 83 -3.496 12.275 2.004 1.00 3.44 N ATOM 1297 CA LYS A 83 -4.804 12.453 1.395 1.00 75.14 C ATOM 1298 C LYS A 83 -4.917 11.544 0.179 1.00 52.52 C ATOM 1299 O LYS A 83 -3.983 10.831 -0.190 1.00 35.42 O ATOM 1300 CB LYS A 83 -5.065 13.942 1.084 1.00 32.05 C ATOM 1301 CG LYS A 83 -4.061 14.576 0.109 1.00 73.40 C ATOM 1302 CD LYS A 83 -4.306 16.070 -0.144 1.00 61.33 C ATOM 1303 CE LYS A 83 -3.675 16.864 1.005 1.00 51.51 C ATOM 1304 NZ LYS A 83 -3.708 18.330 0.798 1.00 2.14 N ATOM 0 H LYS A 83 -2.764 12.025 1.339 1.00 3.44 H new ATOM 0 HA LYS A 83 -5.590 12.159 2.091 1.00 75.14 H new ATOM 0 HB2 LYS A 83 -6.068 14.043 0.669 1.00 32.05 H new ATOM 0 HB3 LYS A 83 -5.049 14.503 2.018 1.00 32.05 H new ATOM 0 HG2 LYS A 83 -3.053 14.444 0.502 1.00 73.40 H new ATOM 0 HG3 LYS A 83 -4.105 14.044 -0.841 1.00 73.40 H new ATOM 0 HD2 LYS A 83 -3.870 16.370 -1.097 1.00 61.33 H new ATOM 0 HD3 LYS A 83 -5.375 16.274 -0.204 1.00 61.33 H new ATOM 0 HE2 LYS A 83 -4.197 16.624 1.931 1.00 51.51 H new ATOM 0 HE3 LYS A 83 -2.640 16.546 1.130 1.00 51.51 H new ATOM 0 HZ1 LYS A 83 -3.266 18.805 1.611 1.00 2.14 H new ATOM 0 HZ2 LYS A 83 -3.186 18.570 -0.069 1.00 2.14 H new ATOM 0 HZ3 LYS A 83 -4.695 18.646 0.707 1.00 2.14 H new ATOM 1318 N PHE A 84 -6.091 11.538 -0.444 1.00 20.35 N ATOM 1319 CA PHE A 84 -6.204 11.050 -1.803 1.00 44.10 C ATOM 1320 C PHE A 84 -5.622 12.133 -2.712 1.00 71.21 C ATOM 1321 O PHE A 84 -5.903 13.312 -2.494 1.00 44.12 O ATOM 1322 CB PHE A 84 -7.671 10.733 -2.134 1.00 35.21 C ATOM 1323 CG PHE A 84 -8.615 11.904 -1.935 1.00 15.31 C ATOM 1324 CD1 PHE A 84 -8.816 12.825 -2.979 1.00 44.44 C ATOM 1325 CD2 PHE A 84 -9.201 12.138 -0.675 1.00 15.43 C ATOM 1326 CE1 PHE A 84 -9.554 13.996 -2.752 1.00 43.02 C ATOM 1327 CE2 PHE A 84 -9.953 13.305 -0.454 1.00 54.12 C ATOM 1328 CZ PHE A 84 -10.124 14.239 -1.491 1.00 34.53 C ATOM 0 H PHE A 84 -6.965 11.863 -0.031 1.00 20.35 H new ATOM 0 HA PHE A 84 -5.654 10.120 -1.945 1.00 44.10 H new ATOM 0 HB2 PHE A 84 -7.735 10.400 -3.170 1.00 35.21 H new ATOM 0 HB3 PHE A 84 -8.002 9.902 -1.511 1.00 35.21 H new ATOM 0 HD1 PHE A 84 -8.401 12.630 -3.957 1.00 44.44 H new ATOM 0 HD2 PHE A 84 -9.072 11.420 0.122 1.00 15.43 H new ATOM 0 HE1 PHE A 84 -9.685 14.713 -3.549 1.00 43.02 H new ATOM 0 HE2 PHE A 84 -10.400 13.484 0.513 1.00 54.12 H new ATOM 0 HZ PHE A 84 -10.692 15.141 -1.319 1.00 34.53 H new ATOM 1338 N THR A 85 -4.854 11.767 -3.739 1.00 20.44 N ATOM 1339 CA THR A 85 -4.651 12.694 -4.853 1.00 32.33 C ATOM 1340 C THR A 85 -5.899 12.680 -5.739 1.00 41.54 C ATOM 1341 O THR A 85 -6.382 13.735 -6.156 1.00 63.22 O ATOM 1342 CB THR A 85 -3.389 12.367 -5.668 1.00 3.23 C ATOM 1343 OG1 THR A 85 -3.508 11.121 -6.312 1.00 61.13 O ATOM 1344 CG2 THR A 85 -2.140 12.336 -4.790 1.00 63.20 C ATOM 0 H THR A 85 -4.378 10.869 -3.824 1.00 20.44 H new ATOM 0 HA THR A 85 -4.495 13.693 -4.447 1.00 32.33 H new ATOM 0 HB THR A 85 -3.289 13.160 -6.409 1.00 3.23 H new ATOM 0 HG1 THR A 85 -2.693 10.938 -6.824 1.00 61.13 H new ATOM 0 HG21 THR A 85 -1.270 12.102 -5.403 1.00 63.20 H new ATOM 0 HG22 THR A 85 -2.001 13.310 -4.320 1.00 63.20 H new ATOM 0 HG23 THR A 85 -2.256 11.574 -4.019 1.00 63.20 H new ATOM 1352 N LEU A 86 -6.436 11.487 -6.027 1.00 15.33 N ATOM 1353 CA LEU A 86 -7.446 11.285 -7.053 1.00 42.20 C ATOM 1354 C LEU A 86 -8.758 10.850 -6.417 1.00 21.45 C ATOM 1355 O LEU A 86 -8.788 9.978 -5.546 1.00 4.23 O ATOM 1356 CB LEU A 86 -6.945 10.263 -8.090 1.00 42.04 C ATOM 1357 CG LEU A 86 -7.883 10.101 -9.301 1.00 43.10 C ATOM 1358 CD1 LEU A 86 -8.099 11.422 -10.058 1.00 64.41 C ATOM 1359 CD2 LEU A 86 -7.348 9.050 -10.272 1.00 73.42 C ATOM 0 H LEU A 86 -6.172 10.629 -5.543 1.00 15.33 H new ATOM 0 HA LEU A 86 -7.629 12.224 -7.575 1.00 42.20 H new ATOM 0 HB2 LEU A 86 -5.960 10.569 -8.443 1.00 42.04 H new ATOM 0 HB3 LEU A 86 -6.823 9.295 -7.604 1.00 42.04 H new ATOM 0 HG LEU A 86 -8.843 9.777 -8.900 1.00 43.10 H new ATOM 0 HD11 LEU A 86 -8.767 11.253 -10.902 1.00 64.41 H new ATOM 0 HD12 LEU A 86 -8.542 12.158 -9.387 1.00 64.41 H new ATOM 0 HD13 LEU A 86 -7.141 11.793 -10.423 1.00 64.41 H new ATOM 0 HD21 LEU A 86 -8.029 8.956 -11.118 1.00 73.42 H new ATOM 0 HD22 LEU A 86 -6.364 9.353 -10.631 1.00 73.42 H new ATOM 0 HD23 LEU A 86 -7.268 8.090 -9.762 1.00 73.42 H new ATOM 1371 N ASN A 87 -9.850 11.441 -6.896 1.00 41.22 N ATOM 1372 CA ASN A 87 -11.231 11.139 -6.531 1.00 21.40 C ATOM 1373 C ASN A 87 -12.056 10.852 -7.786 1.00 15.04 C ATOM 1374 O ASN A 87 -13.245 11.177 -7.843 1.00 2.23 O ATOM 1375 CB ASN A 87 -11.823 12.252 -5.644 1.00 32.51 C ATOM 1376 CG ASN A 87 -11.803 13.636 -6.278 1.00 51.44 C ATOM 1377 OD1 ASN A 87 -11.167 14.539 -5.756 1.00 55.25 O ATOM 1378 ND2 ASN A 87 -12.475 13.866 -7.394 1.00 14.42 N ATOM 0 H ASN A 87 -9.791 12.187 -7.589 1.00 41.22 H new ATOM 0 HA ASN A 87 -11.258 10.233 -5.926 1.00 21.40 H new ATOM 0 HB2 ASN A 87 -12.853 11.994 -5.396 1.00 32.51 H new ATOM 0 HB3 ASN A 87 -11.268 12.287 -4.706 1.00 32.51 H new ATOM 0 HD21 ASN A 87 -12.461 14.795 -7.816 1.00 14.42 H new ATOM 0 HD22 ASN A 87 -13.007 13.115 -7.833 1.00 14.42 H new ATOM 1385 N GLU A 88 -11.439 10.252 -8.804 1.00 12.13 N ATOM 1386 CA GLU A 88 -12.184 9.573 -9.856 1.00 51.15 C ATOM 1387 C GLU A 88 -13.003 8.462 -9.198 1.00 11.22 C ATOM 1388 O GLU A 88 -12.563 7.887 -8.202 1.00 0.00 O ATOM 1389 CB GLU A 88 -11.218 8.988 -10.895 1.00 72.53 C ATOM 1390 CG GLU A 88 -10.913 9.996 -12.001 1.00 71.23 C ATOM 1391 CD GLU A 88 -11.964 9.918 -13.099 1.00 35.32 C ATOM 1392 OE1 GLU A 88 -13.092 10.413 -12.891 1.00 44.32 O ATOM 1393 OE2 GLU A 88 -11.700 9.265 -14.131 1.00 55.35 O ATOM 0 H GLU A 88 -10.426 10.224 -8.920 1.00 12.13 H new ATOM 0 HA GLU A 88 -12.842 10.271 -10.373 1.00 51.15 H new ATOM 0 HB2 GLU A 88 -10.291 8.691 -10.405 1.00 72.53 H new ATOM 0 HB3 GLU A 88 -11.651 8.088 -11.330 1.00 72.53 H new ATOM 0 HG2 GLU A 88 -10.887 11.003 -11.586 1.00 71.23 H new ATOM 0 HG3 GLU A 88 -9.926 9.798 -12.419 1.00 71.23 H new ATOM 1400 N PRO A 89 -14.190 8.132 -9.717 1.00 72.54 N ATOM 1401 CA PRO A 89 -15.141 7.323 -8.972 1.00 15.20 C ATOM 1402 C PRO A 89 -14.614 5.908 -8.747 1.00 2.32 C ATOM 1403 O PRO A 89 -14.679 5.375 -7.639 1.00 40.31 O ATOM 1404 CB PRO A 89 -16.427 7.349 -9.798 1.00 42.01 C ATOM 1405 CG PRO A 89 -16.005 7.757 -11.208 1.00 43.01 C ATOM 1406 CD PRO A 89 -14.707 8.538 -11.013 1.00 1.44 C ATOM 0 HA PRO A 89 -15.316 7.714 -7.970 1.00 15.20 H new ATOM 0 HB2 PRO A 89 -16.910 6.372 -9.801 1.00 42.01 H new ATOM 0 HB3 PRO A 89 -17.144 8.058 -9.384 1.00 42.01 H new ATOM 0 HG2 PRO A 89 -15.851 6.885 -11.843 1.00 43.01 H new ATOM 0 HG3 PRO A 89 -16.768 8.370 -11.688 1.00 43.01 H new ATOM 0 HD2 PRO A 89 -13.993 8.314 -11.806 1.00 1.44 H new ATOM 0 HD3 PRO A 89 -14.889 9.612 -11.042 1.00 1.44 H new ATOM 1414 N LYS A 90 -14.065 5.318 -9.807 1.00 41.22 N ATOM 1415 CA LYS A 90 -13.639 3.922 -9.876 1.00 23.43 C ATOM 1416 C LYS A 90 -12.127 3.728 -9.631 1.00 41.31 C ATOM 1417 O LYS A 90 -11.643 2.600 -9.710 1.00 21.12 O ATOM 1418 CB LYS A 90 -14.044 3.381 -11.262 1.00 52.03 C ATOM 1419 CG LYS A 90 -14.595 1.949 -11.220 1.00 15.12 C ATOM 1420 CD LYS A 90 -16.044 1.851 -11.709 1.00 1.33 C ATOM 1421 CE LYS A 90 -17.009 2.375 -10.644 1.00 0.24 C ATOM 1422 NZ LYS A 90 -18.399 2.457 -11.138 1.00 23.40 N ATOM 0 H LYS A 90 -13.898 5.821 -10.678 1.00 41.22 H new ATOM 0 HA LYS A 90 -14.130 3.369 -9.075 1.00 23.43 H new ATOM 0 HB2 LYS A 90 -14.797 4.040 -11.695 1.00 52.03 H new ATOM 0 HB3 LYS A 90 -13.177 3.410 -11.923 1.00 52.03 H new ATOM 0 HG2 LYS A 90 -13.966 1.305 -11.834 1.00 15.12 H new ATOM 0 HG3 LYS A 90 -14.536 1.572 -10.199 1.00 15.12 H new ATOM 0 HD2 LYS A 90 -16.163 2.424 -12.628 1.00 1.33 H new ATOM 0 HD3 LYS A 90 -16.284 0.815 -11.946 1.00 1.33 H new ATOM 0 HE2 LYS A 90 -16.974 1.722 -9.772 1.00 0.24 H new ATOM 0 HE3 LYS A 90 -16.683 3.362 -10.316 1.00 0.24 H new ATOM 0 HZ1 LYS A 90 -19.016 2.817 -10.382 1.00 23.40 H new ATOM 0 HZ2 LYS A 90 -18.440 3.101 -11.954 1.00 23.40 H new ATOM 0 HZ3 LYS A 90 -18.721 1.511 -11.427 1.00 23.40 H new ATOM 1436 N HIS A 91 -11.380 4.809 -9.383 1.00 43.42 N ATOM 1437 CA HIS A 91 -9.926 4.916 -9.514 1.00 31.32 C ATOM 1438 C HIS A 91 -9.454 5.809 -8.367 1.00 32.15 C ATOM 1439 O HIS A 91 -9.585 7.032 -8.421 1.00 72.12 O ATOM 1440 CB HIS A 91 -9.606 5.497 -10.907 1.00 61.32 C ATOM 1441 CG HIS A 91 -8.158 5.667 -11.303 1.00 1.24 C ATOM 1442 ND1 HIS A 91 -7.723 6.511 -12.302 1.00 41.04 N ATOM 1443 CD2 HIS A 91 -7.065 4.974 -10.846 1.00 43.00 C ATOM 1444 CE1 HIS A 91 -6.404 6.338 -12.440 1.00 24.15 C ATOM 1445 NE2 HIS A 91 -5.950 5.421 -11.568 1.00 61.43 N ATOM 0 H HIS A 91 -11.800 5.683 -9.067 1.00 43.42 H new ATOM 0 HA HIS A 91 -9.411 3.958 -9.446 1.00 31.32 H new ATOM 0 HB2 HIS A 91 -10.080 4.856 -11.650 1.00 61.32 H new ATOM 0 HB3 HIS A 91 -10.085 6.473 -10.977 1.00 61.32 H new ATOM 0 HD2 HIS A 91 -7.064 4.221 -10.071 1.00 43.00 H new ATOM 0 HE1 HIS A 91 -5.788 6.863 -13.155 1.00 24.15 H new ATOM 0 HE2 HIS A 91 -4.985 5.112 -11.454 1.00 61.43 H new ATOM 1453 N LYS A 92 -8.998 5.195 -7.274 1.00 55.33 N ATOM 1454 CA LYS A 92 -8.592 5.881 -6.051 1.00 42.30 C ATOM 1455 C LYS A 92 -7.073 5.836 -5.965 1.00 51.02 C ATOM 1456 O LYS A 92 -6.481 4.791 -6.230 1.00 13.02 O ATOM 1457 CB LYS A 92 -9.211 5.177 -4.829 1.00 41.11 C ATOM 1458 CG LYS A 92 -10.493 5.834 -4.309 1.00 42.32 C ATOM 1459 CD LYS A 92 -11.749 5.578 -5.156 1.00 62.24 C ATOM 1460 CE LYS A 92 -12.505 6.864 -5.512 1.00 74.23 C ATOM 1461 NZ LYS A 92 -12.973 7.648 -4.352 1.00 14.13 N ATOM 0 H LYS A 92 -8.899 4.181 -7.216 1.00 55.33 H new ATOM 0 HA LYS A 92 -8.936 6.915 -6.064 1.00 42.30 H new ATOM 0 HB2 LYS A 92 -9.427 4.141 -5.091 1.00 41.11 H new ATOM 0 HB3 LYS A 92 -8.475 5.155 -4.025 1.00 41.11 H new ATOM 0 HG2 LYS A 92 -10.679 5.479 -3.295 1.00 42.32 H new ATOM 0 HG3 LYS A 92 -10.331 6.910 -4.245 1.00 42.32 H new ATOM 0 HD2 LYS A 92 -11.463 5.066 -6.074 1.00 62.24 H new ATOM 0 HD3 LYS A 92 -12.417 4.909 -4.613 1.00 62.24 H new ATOM 0 HE2 LYS A 92 -11.856 7.494 -6.120 1.00 74.23 H new ATOM 0 HE3 LYS A 92 -13.366 6.604 -6.128 1.00 74.23 H new ATOM 0 HZ1 LYS A 92 -13.544 8.451 -4.684 1.00 14.13 H new ATOM 0 HZ2 LYS A 92 -13.552 7.043 -3.735 1.00 14.13 H new ATOM 0 HZ3 LYS A 92 -12.153 8.003 -3.819 1.00 14.13 H new ATOM 1475 N ILE A 93 -6.455 6.933 -5.534 1.00 3.03 N ATOM 1476 CA ILE A 93 -5.014 7.049 -5.337 1.00 2.32 C ATOM 1477 C ILE A 93 -4.858 7.740 -3.992 1.00 2.32 C ATOM 1478 O ILE A 93 -5.345 8.862 -3.839 1.00 3.42 O ATOM 1479 CB ILE A 93 -4.362 7.832 -6.504 1.00 42.21 C ATOM 1480 CG1 ILE A 93 -4.631 7.092 -7.838 1.00 55.01 C ATOM 1481 CG2 ILE A 93 -2.860 8.097 -6.251 1.00 4.22 C ATOM 1482 CD1 ILE A 93 -4.064 7.770 -9.080 1.00 12.02 C ATOM 0 H ILE A 93 -6.959 7.790 -5.306 1.00 3.03 H new ATOM 0 HA ILE A 93 -4.506 6.085 -5.333 1.00 2.32 H new ATOM 0 HB ILE A 93 -4.820 8.819 -6.572 1.00 42.21 H new ATOM 0 HG12 ILE A 93 -4.213 6.088 -7.769 1.00 55.01 H new ATOM 0 HG13 ILE A 93 -5.708 6.981 -7.963 1.00 55.01 H new ATOM 0 HG21 ILE A 93 -2.441 8.648 -7.093 1.00 4.22 H new ATOM 0 HG22 ILE A 93 -2.742 8.683 -5.339 1.00 4.22 H new ATOM 0 HG23 ILE A 93 -2.336 7.147 -6.142 1.00 4.22 H new ATOM 0 HD11 ILE A 93 -4.305 7.175 -9.961 1.00 12.02 H new ATOM 0 HD12 ILE A 93 -4.499 8.764 -9.183 1.00 12.02 H new ATOM 0 HD13 ILE A 93 -2.982 7.856 -8.985 1.00 12.02 H new ATOM 1494 N PHE A 94 -4.254 7.059 -3.020 1.00 24.04 N ATOM 1495 CA PHE A 94 -3.984 7.541 -1.674 1.00 63.12 C ATOM 1496 C PHE A 94 -2.474 7.669 -1.511 1.00 3.53 C ATOM 1497 O PHE A 94 -1.719 6.794 -1.939 1.00 23.45 O ATOM 1498 CB PHE A 94 -4.573 6.564 -0.644 1.00 44.32 C ATOM 1499 CG PHE A 94 -4.222 6.911 0.791 1.00 24.35 C ATOM 1500 CD1 PHE A 94 -5.021 7.810 1.524 1.00 24.01 C ATOM 1501 CD2 PHE A 94 -3.063 6.368 1.382 1.00 42.12 C ATOM 1502 CE1 PHE A 94 -4.660 8.161 2.837 1.00 24.02 C ATOM 1503 CE2 PHE A 94 -2.702 6.726 2.692 1.00 42.21 C ATOM 1504 CZ PHE A 94 -3.501 7.621 3.420 1.00 41.34 C ATOM 0 H PHE A 94 -3.923 6.105 -3.162 1.00 24.04 H new ATOM 0 HA PHE A 94 -4.449 8.513 -1.511 1.00 63.12 H new ATOM 0 HB2 PHE A 94 -5.658 6.547 -0.750 1.00 44.32 H new ATOM 0 HB3 PHE A 94 -4.216 5.558 -0.864 1.00 44.32 H new ATOM 0 HD1 PHE A 94 -5.911 8.230 1.078 1.00 24.01 H new ATOM 0 HD2 PHE A 94 -2.450 5.674 0.826 1.00 42.12 H new ATOM 0 HE1 PHE A 94 -5.275 8.848 3.399 1.00 24.02 H new ATOM 0 HE2 PHE A 94 -1.810 6.312 3.138 1.00 42.21 H new ATOM 0 HZ PHE A 94 -3.225 7.895 4.428 1.00 41.34 H new ATOM 1514 N GLU A 95 -2.028 8.744 -0.870 1.00 73.01 N ATOM 1515 CA GLU A 95 -0.624 8.969 -0.564 1.00 34.41 C ATOM 1516 C GLU A 95 -0.449 9.452 0.873 1.00 44.33 C ATOM 1517 O GLU A 95 -1.393 9.960 1.487 1.00 44.53 O ATOM 1518 CB GLU A 95 -0.025 9.919 -1.610 1.00 53.50 C ATOM 1519 CG GLU A 95 -0.674 11.310 -1.730 1.00 42.22 C ATOM 1520 CD GLU A 95 -0.387 12.284 -0.577 1.00 15.24 C ATOM 1521 OE1 GLU A 95 0.662 12.172 0.093 1.00 3.11 O ATOM 1522 OE2 GLU A 95 -1.202 13.219 -0.409 1.00 14.11 O ATOM 0 H GLU A 95 -2.641 9.492 -0.545 1.00 73.01 H new ATOM 0 HA GLU A 95 -0.071 8.031 -0.624 1.00 34.41 H new ATOM 0 HB2 GLU A 95 1.032 10.055 -1.381 1.00 53.50 H new ATOM 0 HB3 GLU A 95 -0.080 9.432 -2.584 1.00 53.50 H new ATOM 0 HG2 GLU A 95 -0.337 11.768 -2.660 1.00 42.22 H new ATOM 0 HG3 GLU A 95 -1.753 11.181 -1.811 1.00 42.22 H new ATOM 1529 N ALA A 96 0.770 9.287 1.390 1.00 13.23 N ATOM 1530 CA ALA A 96 1.227 9.868 2.636 1.00 64.20 C ATOM 1531 C ALA A 96 2.659 10.370 2.451 1.00 44.41 C ATOM 1532 O ALA A 96 3.583 9.581 2.203 1.00 40.53 O ATOM 1533 CB ALA A 96 1.129 8.833 3.762 1.00 12.33 C ATOM 0 H ALA A 96 1.485 8.724 0.930 1.00 13.23 H new ATOM 0 HA ALA A 96 0.597 10.713 2.914 1.00 64.20 H new ATOM 0 HB1 ALA A 96 1.474 9.277 4.696 1.00 12.33 H new ATOM 0 HB2 ALA A 96 0.093 8.514 3.874 1.00 12.33 H new ATOM 0 HB3 ALA A 96 1.750 7.971 3.519 1.00 12.33 H new ATOM 1539 N GLY A 97 2.875 11.673 2.617 1.00 32.41 N ATOM 1540 CA GLY A 97 4.189 12.282 2.519 1.00 53.11 C ATOM 1541 C GLY A 97 4.169 13.749 2.907 1.00 75.31 C ATOM 1542 O GLY A 97 3.102 14.363 3.015 1.00 40.22 O ATOM 0 H GLY A 97 2.131 12.339 2.825 1.00 32.41 H new ATOM 0 HA2 GLY A 97 4.885 11.746 3.164 1.00 53.11 H new ATOM 0 HA3 GLY A 97 4.559 12.182 1.499 1.00 53.11 H new ATOM 1546 N TYR A 98 5.360 14.315 3.068 1.00 41.54 N ATOM 1547 CA TYR A 98 5.562 15.747 3.140 1.00 15.21 C ATOM 1548 C TYR A 98 5.063 16.384 1.845 1.00 24.02 C ATOM 1549 O TYR A 98 5.450 15.960 0.758 1.00 11.52 O ATOM 1550 CB TYR A 98 7.048 16.060 3.328 1.00 63.30 C ATOM 1551 CG TYR A 98 7.499 16.148 4.766 1.00 2.34 C ATOM 1552 CD1 TYR A 98 6.860 17.049 5.634 1.00 13.14 C ATOM 1553 CD2 TYR A 98 8.582 15.381 5.224 1.00 35.34 C ATOM 1554 CE1 TYR A 98 7.262 17.177 6.972 1.00 43.50 C ATOM 1555 CE2 TYR A 98 9.038 15.539 6.541 1.00 35.31 C ATOM 1556 CZ TYR A 98 8.395 16.444 7.415 1.00 24.05 C ATOM 1557 OH TYR A 98 8.940 16.635 8.647 1.00 12.43 O ATOM 0 H TYR A 98 6.223 13.778 3.153 1.00 41.54 H new ATOM 0 HA TYR A 98 5.009 16.149 3.989 1.00 15.21 H new ATOM 0 HB2 TYR A 98 7.634 15.291 2.825 1.00 63.30 H new ATOM 0 HB3 TYR A 98 7.271 17.005 2.833 1.00 63.30 H new ATOM 0 HD1 TYR A 98 6.045 17.654 5.265 1.00 13.14 H new ATOM 0 HD2 TYR A 98 9.062 14.672 4.565 1.00 35.34 H new ATOM 0 HE1 TYR A 98 6.721 17.820 7.651 1.00 43.50 H new ATOM 0 HE2 TYR A 98 9.885 14.966 6.889 1.00 35.31 H new ATOM 0 HH TYR A 98 8.235 16.882 9.282 1.00 12.43 H new ATOM 1567 N GLU A 99 4.254 17.434 1.941 1.00 52.14 N ATOM 1568 CA GLU A 99 3.613 18.056 0.785 1.00 3.12 C ATOM 1569 C GLU A 99 4.624 18.761 -0.148 1.00 41.32 C ATOM 1570 O GLU A 99 4.277 19.078 -1.286 1.00 35.23 O ATOM 1571 CB GLU A 99 2.509 19.005 1.286 1.00 44.20 C ATOM 1572 CG GLU A 99 1.171 18.844 0.562 1.00 64.11 C ATOM 1573 CD GLU A 99 1.114 19.494 -0.818 1.00 11.55 C ATOM 1574 OE1 GLU A 99 1.267 20.731 -0.915 1.00 71.20 O ATOM 1575 OE2 GLU A 99 0.715 18.820 -1.801 1.00 72.02 O ATOM 0 H GLU A 99 4.022 17.881 2.828 1.00 52.14 H new ATOM 0 HA GLU A 99 3.161 17.279 0.168 1.00 3.12 H new ATOM 0 HB2 GLU A 99 2.356 18.836 2.352 1.00 44.20 H new ATOM 0 HB3 GLU A 99 2.850 20.034 1.172 1.00 44.20 H new ATOM 0 HG2 GLU A 99 0.955 17.781 0.458 1.00 64.11 H new ATOM 0 HG3 GLU A 99 0.383 19.270 1.183 1.00 64.11 H new ATOM 1582 N GLU A 100 5.876 18.971 0.287 1.00 23.31 N ATOM 1583 CA GLU A 100 6.974 19.528 -0.515 1.00 64.24 C ATOM 1584 C GLU A 100 8.160 18.557 -0.668 1.00 72.11 C ATOM 1585 O GLU A 100 9.190 18.959 -1.207 1.00 22.11 O ATOM 1586 CB GLU A 100 7.421 20.930 -0.023 1.00 22.45 C ATOM 1587 CG GLU A 100 8.013 20.996 1.401 1.00 74.31 C ATOM 1588 CD GLU A 100 8.884 22.230 1.656 1.00 41.14 C ATOM 1589 OE1 GLU A 100 8.396 23.379 1.531 1.00 40.14 O ATOM 1590 OE2 GLU A 100 10.087 22.085 1.970 1.00 15.43 O ATOM 0 H GLU A 100 6.161 18.749 1.241 1.00 23.31 H new ATOM 0 HA GLU A 100 6.566 19.667 -1.516 1.00 64.24 H new ATOM 0 HB2 GLU A 100 8.163 21.317 -0.721 1.00 22.45 H new ATOM 0 HB3 GLU A 100 6.562 21.599 -0.068 1.00 22.45 H new ATOM 0 HG2 GLU A 100 7.197 20.984 2.124 1.00 74.31 H new ATOM 0 HG3 GLU A 100 8.609 20.100 1.578 1.00 74.31 H new ATOM 1597 N SER A 101 8.055 17.300 -0.227 1.00 35.11 N ATOM 1598 CA SER A 101 9.097 16.278 -0.358 1.00 3.11 C ATOM 1599 C SER A 101 8.476 14.962 -0.847 1.00 13.42 C ATOM 1600 O SER A 101 7.340 14.951 -1.324 1.00 40.23 O ATOM 1601 CB SER A 101 9.897 16.165 0.953 1.00 21.34 C ATOM 1602 OG SER A 101 10.916 17.147 1.000 1.00 60.41 O ATOM 0 H SER A 101 7.219 16.956 0.244 1.00 35.11 H new ATOM 0 HA SER A 101 9.825 16.563 -1.118 1.00 3.11 H new ATOM 0 HB2 SER A 101 9.228 16.286 1.805 1.00 21.34 H new ATOM 0 HB3 SER A 101 10.338 15.171 1.032 1.00 21.34 H new ATOM 0 HG SER A 101 11.413 17.062 1.840 1.00 60.41 H new ATOM 1608 N GLU A 102 9.256 13.884 -0.874 1.00 24.03 N ATOM 1609 CA GLU A 102 8.807 12.573 -1.328 1.00 22.23 C ATOM 1610 C GLU A 102 7.707 12.020 -0.418 1.00 43.31 C ATOM 1611 O GLU A 102 7.634 12.339 0.772 1.00 75.22 O ATOM 1612 CB GLU A 102 9.990 11.619 -1.405 1.00 55.31 C ATOM 1613 CG GLU A 102 10.897 11.884 -2.614 1.00 55.24 C ATOM 1614 CD GLU A 102 12.316 11.368 -2.370 1.00 22.01 C ATOM 1615 OE1 GLU A 102 12.601 10.186 -2.671 1.00 43.31 O ATOM 1616 OE2 GLU A 102 13.179 12.163 -1.918 1.00 75.03 O ATOM 0 H GLU A 102 10.232 13.898 -0.577 1.00 24.03 H new ATOM 0 HA GLU A 102 8.379 12.677 -2.325 1.00 22.23 H new ATOM 0 HB2 GLU A 102 10.578 11.704 -0.491 1.00 55.31 H new ATOM 0 HB3 GLU A 102 9.621 10.595 -1.452 1.00 55.31 H new ATOM 0 HG2 GLU A 102 10.479 11.401 -3.497 1.00 55.24 H new ATOM 0 HG3 GLU A 102 10.928 12.954 -2.820 1.00 55.24 H new ATOM 1623 N VAL A 103 6.879 11.137 -0.967 1.00 2.31 N ATOM 1624 CA VAL A 103 6.050 10.226 -0.192 1.00 3.21 C ATOM 1625 C VAL A 103 6.915 9.214 0.557 1.00 31.42 C ATOM 1626 O VAL A 103 8.061 8.959 0.187 1.00 23.44 O ATOM 1627 CB VAL A 103 5.037 9.519 -1.112 1.00 0.25 C ATOM 1628 CG1 VAL A 103 3.908 10.485 -1.474 1.00 23.35 C ATOM 1629 CG2 VAL A 103 5.681 8.969 -2.395 1.00 21.13 C ATOM 0 H VAL A 103 6.765 11.034 -1.975 1.00 2.31 H new ATOM 0 HA VAL A 103 5.495 10.801 0.550 1.00 3.21 H new ATOM 0 HB VAL A 103 4.643 8.666 -0.560 1.00 0.25 H new ATOM 0 HG11 VAL A 103 3.193 9.982 -2.125 1.00 23.35 H new ATOM 0 HG12 VAL A 103 3.403 10.812 -0.565 1.00 23.35 H new ATOM 0 HG13 VAL A 103 4.322 11.351 -1.991 1.00 23.35 H new ATOM 0 HG21 VAL A 103 4.920 8.482 -3.004 1.00 21.13 H new ATOM 0 HG22 VAL A 103 6.127 9.789 -2.959 1.00 21.13 H new ATOM 0 HG23 VAL A 103 6.454 8.246 -2.133 1.00 21.13 H new ATOM 1639 N ASP A 104 6.309 8.568 1.554 1.00 71.12 N ATOM 1640 CA ASP A 104 6.885 7.432 2.279 1.00 3.43 C ATOM 1641 C ASP A 104 5.935 6.225 2.241 1.00 41.52 C ATOM 1642 O ASP A 104 6.338 5.109 2.565 1.00 72.01 O ATOM 1643 CB ASP A 104 7.248 7.873 3.709 1.00 62.10 C ATOM 1644 CG ASP A 104 8.470 7.173 4.320 1.00 1.21 C ATOM 1645 OD1 ASP A 104 9.436 6.852 3.585 1.00 33.04 O ATOM 1646 OD2 ASP A 104 8.484 7.067 5.577 1.00 60.03 O ATOM 0 H ASP A 104 5.381 8.826 1.889 1.00 71.12 H new ATOM 0 HA ASP A 104 7.805 7.105 1.794 1.00 3.43 H new ATOM 0 HB2 ASP A 104 7.429 8.948 3.705 1.00 62.10 H new ATOM 0 HB3 ASP A 104 6.388 7.697 4.355 1.00 62.10 H new ATOM 1651 N LEU A 105 4.689 6.424 1.773 1.00 31.45 N ATOM 1652 CA LEU A 105 3.716 5.381 1.449 1.00 61.13 C ATOM 1653 C LEU A 105 2.806 5.908 0.330 1.00 0.45 C ATOM 1654 O LEU A 105 2.397 7.071 0.382 1.00 13.35 O ATOM 1655 CB LEU A 105 2.858 5.027 2.683 1.00 40.21 C ATOM 1656 CG LEU A 105 1.979 3.771 2.460 1.00 41.41 C ATOM 1657 CD1 LEU A 105 2.674 2.520 2.996 1.00 73.00 C ATOM 1658 CD2 LEU A 105 0.599 3.899 3.117 1.00 40.13 C ATOM 0 H LEU A 105 4.323 7.361 1.605 1.00 31.45 H new ATOM 0 HA LEU A 105 4.242 4.481 1.131 1.00 61.13 H new ATOM 0 HB2 LEU A 105 3.512 4.861 3.539 1.00 40.21 H new ATOM 0 HB3 LEU A 105 2.218 5.874 2.930 1.00 40.21 H new ATOM 0 HG LEU A 105 1.836 3.683 1.383 1.00 41.41 H new ATOM 0 HD11 LEU A 105 2.038 1.651 2.828 1.00 73.00 H new ATOM 0 HD12 LEU A 105 3.623 2.381 2.478 1.00 73.00 H new ATOM 0 HD13 LEU A 105 2.857 2.635 4.064 1.00 73.00 H new ATOM 0 HD21 LEU A 105 0.022 2.993 2.931 1.00 40.13 H new ATOM 0 HD22 LEU A 105 0.719 4.039 4.191 1.00 40.13 H new ATOM 0 HD23 LEU A 105 0.074 4.756 2.696 1.00 40.13 H new ATOM 1670 N ARG A 106 2.422 5.070 -0.638 1.00 71.42 N ATOM 1671 CA ARG A 106 1.221 5.268 -1.461 1.00 63.44 C ATOM 1672 C ARG A 106 0.502 3.938 -1.611 1.00 54.24 C ATOM 1673 O ARG A 106 1.127 2.883 -1.495 1.00 40.22 O ATOM 1674 CB ARG A 106 1.504 5.817 -2.874 1.00 34.22 C ATOM 1675 CG ARG A 106 2.392 7.064 -2.931 1.00 33.34 C ATOM 1676 CD ARG A 106 2.053 7.957 -4.132 1.00 53.24 C ATOM 1677 NE ARG A 106 3.167 8.189 -5.063 1.00 34.45 N ATOM 1678 CZ ARG A 106 3.416 7.498 -6.182 1.00 34.14 C ATOM 1679 NH1 ARG A 106 2.872 6.300 -6.401 1.00 12.25 N ATOM 1680 NH2 ARG A 106 4.211 8.029 -7.100 1.00 60.44 N ATOM 0 H ARG A 106 2.941 4.225 -0.876 1.00 71.42 H new ATOM 0 HA ARG A 106 0.619 6.014 -0.942 1.00 63.44 H new ATOM 0 HB2 ARG A 106 1.975 5.030 -3.463 1.00 34.22 H new ATOM 0 HB3 ARG A 106 0.552 6.048 -3.353 1.00 34.22 H new ATOM 0 HG2 ARG A 106 2.274 7.635 -2.010 1.00 33.34 H new ATOM 0 HG3 ARG A 106 3.438 6.762 -2.988 1.00 33.34 H new ATOM 0 HD2 ARG A 106 1.227 7.505 -4.681 1.00 53.24 H new ATOM 0 HD3 ARG A 106 1.700 8.920 -3.763 1.00 53.24 H new ATOM 0 HE ARG A 106 3.810 8.947 -4.835 1.00 34.45 H new ATOM 0 HH11 ARG A 106 2.249 5.888 -5.707 1.00 12.25 H new ATOM 0 HH12 ARG A 106 3.079 5.796 -7.263 1.00 12.25 H new ATOM 0 HH21 ARG A 106 4.622 8.950 -6.948 1.00 60.44 H new ATOM 0 HH22 ARG A 106 4.412 7.517 -7.959 1.00 60.44 H new ATOM 1694 N VAL A 107 -0.793 3.982 -1.907 1.00 73.30 N ATOM 1695 CA VAL A 107 -1.586 2.824 -2.299 1.00 13.45 C ATOM 1696 C VAL A 107 -2.602 3.329 -3.319 1.00 11.34 C ATOM 1697 O VAL A 107 -3.126 4.438 -3.190 1.00 24.01 O ATOM 1698 CB VAL A 107 -2.267 2.173 -1.069 1.00 53.23 C ATOM 1699 CG1 VAL A 107 -3.037 0.904 -1.459 1.00 75.33 C ATOM 1700 CG2 VAL A 107 -1.251 1.727 -0.013 1.00 15.21 C ATOM 0 H VAL A 107 -1.333 4.847 -1.880 1.00 73.30 H new ATOM 0 HA VAL A 107 -0.964 2.043 -2.736 1.00 13.45 H new ATOM 0 HB VAL A 107 -2.930 2.943 -0.674 1.00 53.23 H new ATOM 0 HG11 VAL A 107 -3.502 0.474 -0.572 1.00 75.33 H new ATOM 0 HG12 VAL A 107 -3.808 1.156 -2.187 1.00 75.33 H new ATOM 0 HG13 VAL A 107 -2.348 0.180 -1.895 1.00 75.33 H new ATOM 0 HG21 VAL A 107 -1.776 1.277 0.830 1.00 15.21 H new ATOM 0 HG22 VAL A 107 -0.570 0.996 -0.449 1.00 15.21 H new ATOM 0 HG23 VAL A 107 -0.683 2.591 0.333 1.00 15.21 H new ATOM 1710 N GLU A 108 -2.927 2.515 -4.318 1.00 3.25 N ATOM 1711 CA GLU A 108 -3.932 2.839 -5.318 1.00 13.44 C ATOM 1712 C GLU A 108 -4.926 1.688 -5.370 1.00 55.11 C ATOM 1713 O GLU A 108 -4.571 0.542 -5.079 1.00 61.31 O ATOM 1714 CB GLU A 108 -3.281 3.104 -6.685 1.00 31.25 C ATOM 1715 CG GLU A 108 -2.301 4.287 -6.634 1.00 43.24 C ATOM 1716 CD GLU A 108 -1.731 4.717 -7.994 1.00 34.32 C ATOM 1717 OE1 GLU A 108 -2.191 4.249 -9.061 1.00 1.23 O ATOM 1718 OE2 GLU A 108 -0.833 5.588 -8.009 1.00 60.21 O ATOM 0 H GLU A 108 -2.494 1.602 -4.455 1.00 3.25 H new ATOM 0 HA GLU A 108 -4.456 3.756 -5.050 1.00 13.44 H new ATOM 0 HB2 GLU A 108 -2.753 2.209 -7.015 1.00 31.25 H new ATOM 0 HB3 GLU A 108 -4.057 3.307 -7.423 1.00 31.25 H new ATOM 0 HG2 GLU A 108 -2.808 5.140 -6.183 1.00 43.24 H new ATOM 0 HG3 GLU A 108 -1.472 4.025 -5.976 1.00 43.24 H new ATOM 1725 N PHE A 109 -6.172 1.981 -5.739 1.00 34.45 N ATOM 1726 CA PHE A 109 -7.253 1.013 -5.799 1.00 33.32 C ATOM 1727 C PHE A 109 -8.024 1.245 -7.094 1.00 23.45 C ATOM 1728 O PHE A 109 -8.469 2.364 -7.362 1.00 23.41 O ATOM 1729 CB PHE A 109 -8.191 1.133 -4.584 1.00 34.34 C ATOM 1730 CG PHE A 109 -7.538 1.263 -3.217 1.00 11.15 C ATOM 1731 CD1 PHE A 109 -6.831 0.184 -2.655 1.00 51.50 C ATOM 1732 CD2 PHE A 109 -7.673 2.456 -2.480 1.00 15.43 C ATOM 1733 CE1 PHE A 109 -6.284 0.298 -1.363 1.00 33.43 C ATOM 1734 CE2 PHE A 109 -7.124 2.569 -1.191 1.00 14.13 C ATOM 1735 CZ PHE A 109 -6.433 1.485 -0.629 1.00 21.45 C ATOM 0 H PHE A 109 -6.459 2.922 -6.010 1.00 34.45 H new ATOM 0 HA PHE A 109 -6.837 0.006 -5.778 1.00 33.32 H new ATOM 0 HB2 PHE A 109 -8.833 2.000 -4.736 1.00 34.34 H new ATOM 0 HB3 PHE A 109 -8.838 0.256 -4.568 1.00 34.34 H new ATOM 0 HD1 PHE A 109 -6.708 -0.731 -3.215 1.00 51.50 H new ATOM 0 HD2 PHE A 109 -8.204 3.293 -2.910 1.00 15.43 H new ATOM 0 HE1 PHE A 109 -5.746 -0.534 -0.933 1.00 33.43 H new ATOM 0 HE2 PHE A 109 -7.234 3.488 -0.635 1.00 14.13 H new ATOM 0 HZ PHE A 109 -6.017 1.564 0.365 1.00 21.45 H new ATOM 1745 N GLU A 110 -8.226 0.186 -7.871 1.00 64.42 N ATOM 1746 CA GLU A 110 -9.071 0.197 -9.055 1.00 35.13 C ATOM 1747 C GLU A 110 -10.096 -0.913 -8.873 1.00 73.54 C ATOM 1748 O GLU A 110 -9.753 -2.057 -8.536 1.00 53.31 O ATOM 1749 CB GLU A 110 -8.257 -0.032 -10.336 1.00 33.12 C ATOM 1750 CG GLU A 110 -7.473 1.203 -10.815 1.00 72.41 C ATOM 1751 CD GLU A 110 -6.452 0.879 -11.923 1.00 42.13 C ATOM 1752 OE1 GLU A 110 -6.441 -0.255 -12.468 1.00 41.23 O ATOM 1753 OE2 GLU A 110 -5.616 1.739 -12.272 1.00 23.35 O ATOM 0 H GLU A 110 -7.797 -0.721 -7.690 1.00 64.42 H new ATOM 0 HA GLU A 110 -9.551 1.169 -9.164 1.00 35.13 H new ATOM 0 HB2 GLU A 110 -7.557 -0.850 -10.167 1.00 33.12 H new ATOM 0 HB3 GLU A 110 -8.932 -0.350 -11.130 1.00 33.12 H new ATOM 0 HG2 GLU A 110 -8.175 1.951 -11.184 1.00 72.41 H new ATOM 0 HG3 GLU A 110 -6.951 1.646 -9.967 1.00 72.41 H new ATOM 1760 N LEU A 111 -11.365 -0.581 -9.105 1.00 23.43 N ATOM 1761 CA LEU A 111 -12.402 -1.595 -9.232 1.00 22.35 C ATOM 1762 C LEU A 111 -12.072 -2.438 -10.457 1.00 73.54 C ATOM 1763 O LEU A 111 -11.775 -1.900 -11.526 1.00 22.11 O ATOM 1764 CB LEU A 111 -13.776 -0.943 -9.378 1.00 13.44 C ATOM 1765 CG LEU A 111 -14.931 -1.950 -9.232 1.00 3.44 C ATOM 1766 CD1 LEU A 111 -15.268 -2.220 -7.763 1.00 60.22 C ATOM 1767 CD2 LEU A 111 -16.174 -1.405 -9.929 1.00 22.53 C ATOM 0 H LEU A 111 -11.695 0.378 -9.208 1.00 23.43 H new ATOM 0 HA LEU A 111 -12.435 -2.221 -8.340 1.00 22.35 H new ATOM 0 HB2 LEU A 111 -13.884 -0.161 -8.626 1.00 13.44 H new ATOM 0 HB3 LEU A 111 -13.842 -0.459 -10.353 1.00 13.44 H new ATOM 0 HG LEU A 111 -14.612 -2.887 -9.689 1.00 3.44 H new ATOM 0 HD11 LEU A 111 -16.088 -2.936 -7.703 1.00 60.22 H new ATOM 0 HD12 LEU A 111 -14.393 -2.628 -7.258 1.00 60.22 H new ATOM 0 HD13 LEU A 111 -15.564 -1.288 -7.280 1.00 60.22 H new ATOM 0 HD21 LEU A 111 -16.992 -2.118 -9.825 1.00 22.53 H new ATOM 0 HD22 LEU A 111 -16.460 -0.457 -9.474 1.00 22.53 H new ATOM 0 HD23 LEU A 111 -15.960 -1.250 -10.986 1.00 22.53 H new ATOM 1779 N GLN A 112 -12.109 -3.757 -10.317 1.00 10.01 N ATOM 1780 CA GLN A 112 -11.952 -4.655 -11.441 1.00 41.42 C ATOM 1781 C GLN A 112 -13.289 -4.814 -12.146 1.00 2.21 C ATOM 1782 O GLN A 112 -14.336 -4.874 -11.501 1.00 31.14 O ATOM 1783 CB GLN A 112 -11.452 -6.022 -10.963 1.00 10.03 C ATOM 1784 CG GLN A 112 -10.077 -5.923 -10.288 1.00 72.40 C ATOM 1785 CD GLN A 112 -9.066 -5.229 -11.190 1.00 4.44 C ATOM 1786 OE1 GLN A 112 -8.718 -5.764 -12.239 1.00 51.44 O ATOM 1787 NE2 GLN A 112 -8.647 -4.023 -10.845 1.00 72.43 N ATOM 0 H GLN A 112 -12.248 -4.227 -9.423 1.00 10.01 H new ATOM 0 HA GLN A 112 -11.220 -4.238 -12.132 1.00 41.42 H new ATOM 0 HB2 GLN A 112 -12.171 -6.447 -10.263 1.00 10.03 H new ATOM 0 HB3 GLN A 112 -11.392 -6.704 -11.811 1.00 10.03 H new ATOM 0 HG2 GLN A 112 -10.168 -5.374 -9.351 1.00 72.40 H new ATOM 0 HG3 GLN A 112 -9.719 -6.922 -10.039 1.00 72.40 H new ATOM 0 HE21 GLN A 112 -8.956 -3.608 -9.966 1.00 72.43 H new ATOM 0 HE22 GLN A 112 -8.015 -3.508 -11.458 1.00 72.43 H new ATOM 1796 N ALA A 113 -13.226 -5.065 -13.450 1.00 41.11 N ATOM 1797 CA ALA A 113 -14.305 -5.567 -14.294 1.00 2.31 C ATOM 1798 C ALA A 113 -14.792 -6.960 -13.856 1.00 44.22 C ATOM 1799 O ALA A 113 -15.699 -7.522 -14.460 1.00 30.55 O ATOM 1800 CB ALA A 113 -13.772 -5.597 -15.726 1.00 10.12 C ATOM 0 H ALA A 113 -12.367 -4.914 -13.978 1.00 41.11 H new ATOM 0 HA ALA A 113 -15.174 -4.914 -14.211 1.00 2.31 H new ATOM 0 HB1 ALA A 113 -14.548 -5.968 -16.395 1.00 10.12 H new ATOM 0 HB2 ALA A 113 -13.483 -4.590 -16.028 1.00 10.12 H new ATOM 0 HB3 ALA A 113 -12.904 -6.255 -15.778 1.00 10.12 H new ATOM 1806 N ASP A 114 -14.177 -7.542 -12.826 1.00 13.15 N ATOM 1807 CA ASP A 114 -14.627 -8.767 -12.168 1.00 31.14 C ATOM 1808 C ASP A 114 -15.639 -8.443 -11.067 1.00 10.14 C ATOM 1809 O ASP A 114 -16.391 -9.312 -10.620 1.00 63.53 O ATOM 1810 CB ASP A 114 -13.417 -9.506 -11.576 1.00 64.30 C ATOM 1811 CG ASP A 114 -13.224 -10.843 -12.271 1.00 63.11 C ATOM 1812 OD1 ASP A 114 -13.981 -11.792 -11.971 1.00 62.34 O ATOM 1813 OD2 ASP A 114 -12.301 -10.928 -13.116 1.00 43.02 O ATOM 0 H ASP A 114 -13.325 -7.161 -12.414 1.00 13.15 H new ATOM 0 HA ASP A 114 -15.115 -9.406 -12.904 1.00 31.14 H new ATOM 0 HB2 ASP A 114 -12.520 -8.897 -11.688 1.00 64.30 H new ATOM 0 HB3 ASP A 114 -13.565 -9.662 -10.507 1.00 64.30 H new ATOM 1818 N GLY A 115 -15.663 -7.188 -10.612 1.00 65.12 N ATOM 1819 CA GLY A 115 -16.697 -6.610 -9.780 1.00 31.54 C ATOM 1820 C GLY A 115 -16.236 -6.104 -8.417 1.00 12.32 C ATOM 1821 O GLY A 115 -17.018 -5.419 -7.755 1.00 61.50 O ATOM 0 H GLY A 115 -14.921 -6.523 -10.830 1.00 65.12 H new ATOM 0 HA2 GLY A 115 -17.153 -5.781 -10.321 1.00 31.54 H new ATOM 0 HA3 GLY A 115 -17.476 -7.357 -9.627 1.00 31.54 H new ATOM 1825 N LYS A 116 -15.007 -6.426 -8.003 1.00 50.30 N ATOM 1826 CA LYS A 116 -14.457 -6.145 -6.675 1.00 23.11 C ATOM 1827 C LYS A 116 -13.335 -5.124 -6.782 1.00 33.15 C ATOM 1828 O LYS A 116 -12.711 -4.994 -7.836 1.00 60.51 O ATOM 1829 CB LYS A 116 -13.929 -7.456 -6.065 1.00 0.43 C ATOM 1830 CG LYS A 116 -15.088 -8.360 -5.637 1.00 40.44 C ATOM 1831 CD LYS A 116 -14.654 -9.744 -5.147 1.00 64.54 C ATOM 1832 CE LYS A 116 -15.920 -10.578 -4.922 1.00 21.44 C ATOM 1833 NZ LYS A 116 -15.622 -11.971 -4.540 1.00 45.10 N ATOM 0 H LYS A 116 -14.342 -6.908 -8.608 1.00 50.30 H new ATOM 0 HA LYS A 116 -15.236 -5.734 -6.033 1.00 23.11 H new ATOM 0 HB2 LYS A 116 -13.305 -7.976 -6.792 1.00 0.43 H new ATOM 0 HB3 LYS A 116 -13.298 -7.234 -5.205 1.00 0.43 H new ATOM 0 HG2 LYS A 116 -15.647 -7.864 -4.843 1.00 40.44 H new ATOM 0 HG3 LYS A 116 -15.770 -8.482 -6.479 1.00 40.44 H new ATOM 0 HD2 LYS A 116 -14.006 -10.223 -5.881 1.00 64.54 H new ATOM 0 HD3 LYS A 116 -14.082 -9.660 -4.223 1.00 64.54 H new ATOM 0 HE2 LYS A 116 -16.523 -10.113 -4.142 1.00 21.44 H new ATOM 0 HE3 LYS A 116 -16.519 -10.575 -5.833 1.00 21.44 H new ATOM 0 HZ1 LYS A 116 -16.512 -12.491 -4.400 1.00 45.10 H new ATOM 0 HZ2 LYS A 116 -15.070 -12.427 -5.294 1.00 45.10 H new ATOM 0 HZ3 LYS A 116 -15.074 -11.979 -3.656 1.00 45.10 H new ATOM 1847 N TRP A 117 -13.051 -4.413 -5.693 1.00 51.04 N ATOM 1848 CA TRP A 117 -11.905 -3.511 -5.621 1.00 34.41 C ATOM 1849 C TRP A 117 -10.630 -4.306 -5.421 1.00 41.03 C ATOM 1850 O TRP A 117 -10.630 -5.270 -4.649 1.00 60.33 O ATOM 1851 CB TRP A 117 -12.091 -2.556 -4.455 1.00 54.10 C ATOM 1852 CG TRP A 117 -13.143 -1.532 -4.700 1.00 61.23 C ATOM 1853 CD1 TRP A 117 -14.439 -1.607 -4.323 1.00 32.54 C ATOM 1854 CD2 TRP A 117 -12.978 -0.243 -5.359 1.00 74.54 C ATOM 1855 NE1 TRP A 117 -15.085 -0.454 -4.713 1.00 42.12 N ATOM 1856 CE2 TRP A 117 -14.233 0.426 -5.346 1.00 13.01 C ATOM 1857 CE3 TRP A 117 -11.889 0.431 -5.951 1.00 63.11 C ATOM 1858 CZ2 TRP A 117 -14.400 1.705 -5.891 1.00 60.30 C ATOM 1859 CZ3 TRP A 117 -12.040 1.719 -6.495 1.00 52.01 C ATOM 1860 CH2 TRP A 117 -13.292 2.357 -6.458 1.00 2.43 C ATOM 0 H TRP A 117 -13.607 -4.446 -4.839 1.00 51.04 H new ATOM 0 HA TRP A 117 -11.833 -2.949 -6.552 1.00 34.41 H new ATOM 0 HB2 TRP A 117 -12.349 -3.127 -3.563 1.00 54.10 H new ATOM 0 HB3 TRP A 117 -11.145 -2.054 -4.250 1.00 54.10 H new ATOM 0 HD1 TRP A 117 -14.894 -2.436 -3.801 1.00 32.54 H new ATOM 0 HE1 TRP A 117 -16.076 -0.273 -4.552 1.00 42.12 H new ATOM 0 HE3 TRP A 117 -10.923 -0.050 -5.987 1.00 63.11 H new ATOM 0 HZ2 TRP A 117 -15.368 2.184 -5.876 1.00 60.30 H new ATOM 0 HZ3 TRP A 117 -11.193 2.219 -6.942 1.00 52.01 H new ATOM 0 HH2 TRP A 117 -13.403 3.351 -6.866 1.00 2.43 H new ATOM 1871 N TYR A 118 -9.557 -3.899 -6.096 1.00 61.22 N ATOM 1872 CA TYR A 118 -8.240 -4.502 -5.982 1.00 41.23 C ATOM 1873 C TYR A 118 -7.234 -3.377 -5.728 1.00 31.12 C ATOM 1874 O TYR A 118 -7.409 -2.282 -6.268 1.00 31.32 O ATOM 1875 CB TYR A 118 -7.919 -5.301 -7.262 1.00 14.42 C ATOM 1876 CG TYR A 118 -8.428 -6.741 -7.254 1.00 22.24 C ATOM 1877 CD1 TYR A 118 -9.783 -7.063 -7.023 1.00 31.35 C ATOM 1878 CD2 TYR A 118 -7.515 -7.791 -7.437 1.00 61.12 C ATOM 1879 CE1 TYR A 118 -10.193 -8.389 -6.789 1.00 31.42 C ATOM 1880 CE2 TYR A 118 -7.908 -9.119 -7.224 1.00 63.24 C ATOM 1881 CZ TYR A 118 -9.231 -9.421 -6.832 1.00 71.32 C ATOM 1882 OH TYR A 118 -9.563 -10.689 -6.467 1.00 33.52 O ATOM 0 H TYR A 118 -9.585 -3.120 -6.754 1.00 61.22 H new ATOM 0 HA TYR A 118 -8.194 -5.208 -5.153 1.00 41.23 H new ATOM 0 HB2 TYR A 118 -8.351 -4.781 -8.117 1.00 14.42 H new ATOM 0 HB3 TYR A 118 -6.839 -5.312 -7.407 1.00 14.42 H new ATOM 0 HD1 TYR A 118 -10.521 -6.275 -7.026 1.00 31.35 H new ATOM 0 HD2 TYR A 118 -6.503 -7.574 -7.744 1.00 61.12 H new ATOM 0 HE1 TYR A 118 -11.228 -8.614 -6.580 1.00 31.42 H new ATOM 0 HE2 TYR A 118 -7.194 -9.918 -7.361 1.00 63.24 H new ATOM 0 HH TYR A 118 -9.334 -10.829 -5.524 1.00 33.52 H new ATOM 1892 N VAL A 119 -6.204 -3.622 -4.907 1.00 51.42 N ATOM 1893 CA VAL A 119 -5.045 -2.739 -4.810 1.00 62.13 C ATOM 1894 C VAL A 119 -4.310 -2.837 -6.145 1.00 3.55 C ATOM 1895 O VAL A 119 -4.257 -3.918 -6.742 1.00 24.43 O ATOM 1896 CB VAL A 119 -4.115 -3.153 -3.647 1.00 55.24 C ATOM 1897 CG1 VAL A 119 -2.916 -2.214 -3.489 1.00 2.41 C ATOM 1898 CG2 VAL A 119 -4.830 -3.310 -2.299 1.00 20.42 C ATOM 0 H VAL A 119 -6.155 -4.437 -4.295 1.00 51.42 H new ATOM 0 HA VAL A 119 -5.361 -1.716 -4.605 1.00 62.13 H new ATOM 0 HB VAL A 119 -3.754 -4.140 -3.938 1.00 55.24 H new ATOM 0 HG11 VAL A 119 -2.297 -2.552 -2.658 1.00 2.41 H new ATOM 0 HG12 VAL A 119 -2.327 -2.219 -4.406 1.00 2.41 H new ATOM 0 HG13 VAL A 119 -3.270 -1.202 -3.290 1.00 2.41 H new ATOM 0 HG21 VAL A 119 -4.108 -3.602 -1.536 1.00 20.42 H new ATOM 0 HG22 VAL A 119 -5.291 -2.363 -2.019 1.00 20.42 H new ATOM 0 HG23 VAL A 119 -5.600 -4.077 -2.383 1.00 20.42 H new ATOM 1908 N VAL A 120 -3.734 -1.728 -6.593 1.00 60.04 N ATOM 1909 CA VAL A 120 -2.983 -1.639 -7.836 1.00 20.32 C ATOM 1910 C VAL A 120 -1.701 -0.817 -7.666 1.00 43.51 C ATOM 1911 O VAL A 120 -1.036 -0.576 -8.670 1.00 42.34 O ATOM 1912 CB VAL A 120 -3.899 -1.155 -8.983 1.00 54.43 C ATOM 1913 CG1 VAL A 120 -5.078 -2.106 -9.248 1.00 71.10 C ATOM 1914 CG2 VAL A 120 -4.435 0.259 -8.765 1.00 15.23 C ATOM 0 H VAL A 120 -3.778 -0.843 -6.087 1.00 60.04 H new ATOM 0 HA VAL A 120 -2.639 -2.634 -8.118 1.00 20.32 H new ATOM 0 HB VAL A 120 -3.252 -1.148 -9.861 1.00 54.43 H new ATOM 0 HG11 VAL A 120 -5.686 -1.714 -10.064 1.00 71.10 H new ATOM 0 HG12 VAL A 120 -4.697 -3.090 -9.520 1.00 71.10 H new ATOM 0 HG13 VAL A 120 -5.688 -2.189 -8.348 1.00 71.10 H new ATOM 0 HG21 VAL A 120 -5.071 0.540 -9.604 1.00 15.23 H new ATOM 0 HG22 VAL A 120 -5.016 0.290 -7.843 1.00 15.23 H new ATOM 0 HG23 VAL A 120 -3.601 0.957 -8.692 1.00 15.23 H new ATOM 1924 N ASP A 121 -1.292 -0.502 -6.426 1.00 35.35 N ATOM 1925 CA ASP A 121 0.013 0.116 -6.091 1.00 75.41 C ATOM 1926 C ASP A 121 0.425 -0.196 -4.652 1.00 61.10 C ATOM 1927 O ASP A 121 -0.456 -0.291 -3.798 1.00 12.55 O ATOM 1928 CB ASP A 121 -0.019 1.643 -6.216 1.00 11.32 C ATOM 1929 CG ASP A 121 1.398 2.223 -6.305 1.00 33.34 C ATOM 1930 OD1 ASP A 121 2.151 1.789 -7.210 1.00 61.12 O ATOM 1931 OD2 ASP A 121 1.780 3.062 -5.471 1.00 34.14 O ATOM 0 H ASP A 121 -1.871 -0.672 -5.604 1.00 35.35 H new ATOM 0 HA ASP A 121 0.723 -0.306 -6.803 1.00 75.41 H new ATOM 0 HB2 ASP A 121 -0.587 1.926 -7.102 1.00 11.32 H new ATOM 0 HB3 ASP A 121 -0.536 2.070 -5.357 1.00 11.32 H new ATOM 1936 N CYS A 122 1.731 -0.313 -4.389 1.00 14.44 N ATOM 1937 CA CYS A 122 2.340 -0.597 -3.083 1.00 4.53 C ATOM 1938 C CYS A 122 3.577 0.268 -2.711 1.00 32.44 C ATOM 1939 O CYS A 122 4.528 -0.290 -2.161 1.00 3.22 O ATOM 1940 CB CYS A 122 2.731 -2.086 -3.063 1.00 41.53 C ATOM 1941 SG CYS A 122 4.015 -2.407 -4.311 1.00 2.11 S ATOM 0 H CYS A 122 2.432 -0.206 -5.122 1.00 14.44 H new ATOM 0 HA CYS A 122 1.592 -0.341 -2.333 1.00 4.53 H new ATOM 0 HB2 CYS A 122 3.096 -2.362 -2.074 1.00 41.53 H new ATOM 0 HB3 CYS A 122 1.855 -2.703 -3.263 1.00 41.53 H new ATOM 0 HG CYS A 122 4.706 -3.452 -3.964 1.00 2.11 H new ATOM 1947 N TYR A 123 3.648 1.572 -3.012 1.00 61.33 N ATOM 1948 CA TYR A 123 4.837 2.354 -2.620 1.00 63.11 C ATOM 1949 C TYR A 123 5.024 2.318 -1.088 1.00 21.14 C ATOM 1950 O TYR A 123 4.086 2.652 -0.356 1.00 54.22 O ATOM 1951 CB TYR A 123 4.743 3.805 -3.117 1.00 34.34 C ATOM 1952 CG TYR A 123 5.990 4.632 -2.860 1.00 60.24 C ATOM 1953 CD1 TYR A 123 7.085 4.574 -3.747 1.00 15.11 C ATOM 1954 CD2 TYR A 123 6.089 5.401 -1.688 1.00 40.22 C ATOM 1955 CE1 TYR A 123 8.274 5.276 -3.468 1.00 32.21 C ATOM 1956 CE2 TYR A 123 7.262 6.120 -1.414 1.00 71.34 C ATOM 1957 CZ TYR A 123 8.347 6.093 -2.317 1.00 62.02 C ATOM 1958 OH TYR A 123 9.467 6.821 -2.053 1.00 43.24 O ATOM 0 H TYR A 123 2.927 2.096 -3.507 1.00 61.33 H new ATOM 0 HA TYR A 123 5.707 1.897 -3.091 1.00 63.11 H new ATOM 0 HB2 TYR A 123 4.539 3.798 -4.188 1.00 34.34 H new ATOM 0 HB3 TYR A 123 3.894 4.289 -2.634 1.00 34.34 H new ATOM 0 HD1 TYR A 123 7.011 3.985 -4.649 1.00 15.11 H new ATOM 0 HD2 TYR A 123 5.260 5.439 -0.997 1.00 40.22 H new ATOM 0 HE1 TYR A 123 9.124 5.191 -4.129 1.00 32.21 H new ATOM 0 HE2 TYR A 123 7.336 6.699 -0.505 1.00 71.34 H new ATOM 0 HH TYR A 123 9.341 7.325 -1.222 1.00 43.24 H new ATOM 1968 N THR A 124 6.191 1.910 -0.587 1.00 23.05 N ATOM 1969 CA THR A 124 6.576 1.910 0.826 1.00 31.41 C ATOM 1970 C THR A 124 8.104 1.933 0.928 1.00 71.41 C ATOM 1971 O THR A 124 8.783 1.266 0.133 1.00 23.05 O ATOM 1972 CB THR A 124 6.001 0.665 1.549 1.00 12.33 C ATOM 1973 OG1 THR A 124 6.516 0.555 2.860 1.00 11.53 O ATOM 1974 CG2 THR A 124 6.311 -0.678 0.869 1.00 14.12 C ATOM 0 H THR A 124 6.933 1.551 -1.188 1.00 23.05 H new ATOM 0 HA THR A 124 6.167 2.796 1.312 1.00 31.41 H new ATOM 0 HB THR A 124 4.925 0.836 1.527 1.00 12.33 H new ATOM 0 HG1 THR A 124 6.137 -0.237 3.295 1.00 11.53 H new ATOM 0 HG21 THR A 124 5.868 -1.489 1.447 1.00 14.12 H new ATOM 0 HG22 THR A 124 5.894 -0.681 -0.138 1.00 14.12 H new ATOM 0 HG23 THR A 124 7.391 -0.818 0.815 1.00 14.12 H new ATOM 1982 N GLY A 125 8.635 2.605 1.959 1.00 43.23 N ATOM 1983 CA GLY A 125 10.056 2.621 2.302 1.00 62.24 C ATOM 1984 C GLY A 125 10.715 1.234 2.340 1.00 52.30 C ATOM 1985 O GLY A 125 11.898 1.104 2.015 1.00 1.15 O ATOM 0 H GLY A 125 8.068 3.167 2.593 1.00 43.23 H new ATOM 0 HA2 GLY A 125 10.585 3.241 1.579 1.00 62.24 H new ATOM 0 HA3 GLY A 125 10.177 3.094 3.277 1.00 62.24 H new ATOM 1989 N TRP A 126 9.965 0.173 2.672 1.00 24.24 N ATOM 1990 CA TRP A 126 10.484 -1.195 2.636 1.00 34.31 C ATOM 1991 C TRP A 126 11.034 -1.575 1.263 1.00 74.02 C ATOM 1992 O TRP A 126 11.976 -2.361 1.143 1.00 11.45 O ATOM 1993 CB TRP A 126 9.386 -2.205 2.969 1.00 22.32 C ATOM 1994 CG TRP A 126 9.160 -2.467 4.418 1.00 35.34 C ATOM 1995 CD1 TRP A 126 7.962 -2.415 5.037 1.00 23.35 C ATOM 1996 CD2 TRP A 126 10.134 -2.783 5.459 1.00 2.34 C ATOM 1997 NE1 TRP A 126 8.123 -2.738 6.368 1.00 53.24 N ATOM 1998 CE2 TRP A 126 9.441 -2.957 6.686 1.00 33.34 C ATOM 1999 CE3 TRP A 126 11.541 -2.841 5.526 1.00 11.43 C ATOM 2000 CZ2 TRP A 126 10.107 -3.215 7.889 1.00 40.10 C ATOM 2001 CZ3 TRP A 126 12.217 -3.156 6.714 1.00 41.23 C ATOM 2002 CH2 TRP A 126 11.499 -3.362 7.904 1.00 61.23 C ATOM 0 H TRP A 126 8.992 0.241 2.970 1.00 24.24 H new ATOM 0 HA TRP A 126 11.285 -1.223 3.374 1.00 34.31 H new ATOM 0 HB2 TRP A 126 8.451 -1.853 2.533 1.00 22.32 H new ATOM 0 HB3 TRP A 126 9.629 -3.150 2.482 1.00 22.32 H new ATOM 0 HD1 TRP A 126 7.025 -2.161 4.564 1.00 23.35 H new ATOM 0 HE1 TRP A 126 7.355 -2.806 7.036 1.00 53.24 H new ATOM 0 HE3 TRP A 126 12.116 -2.637 4.635 1.00 11.43 H new ATOM 0 HZ2 TRP A 126 9.546 -3.301 8.808 1.00 40.10 H new ATOM 0 HZ3 TRP A 126 13.294 -3.241 6.714 1.00 41.23 H new ATOM 0 HH2 TRP A 126 12.013 -3.629 8.816 1.00 61.23 H new ATOM 2013 N TYR A 127 10.395 -1.096 0.203 1.00 2.55 N ATOM 2014 CA TYR A 127 10.639 -1.546 -1.147 1.00 24.21 C ATOM 2015 C TYR A 127 10.622 -0.302 -2.037 1.00 53.33 C ATOM 2016 O TYR A 127 9.762 -0.167 -2.912 1.00 22.12 O ATOM 2017 CB TYR A 127 9.599 -2.617 -1.521 1.00 74.33 C ATOM 2018 CG TYR A 127 9.653 -3.927 -0.732 1.00 32.34 C ATOM 2019 CD1 TYR A 127 10.724 -4.839 -0.882 1.00 32.45 C ATOM 2020 CD2 TYR A 127 8.610 -4.244 0.160 1.00 74.40 C ATOM 2021 CE1 TYR A 127 10.769 -6.034 -0.131 1.00 34.32 C ATOM 2022 CE2 TYR A 127 8.659 -5.423 0.928 1.00 43.44 C ATOM 2023 CZ TYR A 127 9.761 -6.300 0.817 1.00 20.01 C ATOM 2024 OH TYR A 127 9.850 -7.411 1.598 1.00 52.24 O ATOM 0 H TYR A 127 9.681 -0.371 0.267 1.00 2.55 H new ATOM 0 HA TYR A 127 11.607 -2.031 -1.272 1.00 24.21 H new ATOM 0 HB2 TYR A 127 8.606 -2.185 -1.398 1.00 74.33 H new ATOM 0 HB3 TYR A 127 9.716 -2.851 -2.579 1.00 74.33 H new ATOM 0 HD1 TYR A 127 11.518 -4.618 -1.580 1.00 32.45 H new ATOM 0 HD2 TYR A 127 7.766 -3.577 0.256 1.00 74.40 H new ATOM 0 HE1 TYR A 127 11.572 -6.740 -0.282 1.00 34.32 H new ATOM 0 HE2 TYR A 127 7.851 -5.658 1.605 1.00 43.44 H new ATOM 0 HH TYR A 127 10.540 -7.277 2.281 1.00 52.24 H new ATOM 2034 N GLY A 128 11.528 0.640 -1.759 1.00 72.22 N ATOM 2035 CA GLY A 128 11.551 1.961 -2.365 1.00 0.24 C ATOM 2036 C GLY A 128 12.502 2.865 -1.596 1.00 2.25 C ATOM 2037 O GLY A 128 12.157 3.310 -0.507 1.00 20.45 O ATOM 0 H GLY A 128 12.282 0.494 -1.088 1.00 72.22 H new ATOM 0 HA2 GLY A 128 11.866 1.888 -3.406 1.00 0.24 H new ATOM 0 HA3 GLY A 128 10.548 2.389 -2.365 1.00 0.24 H new ATOM 2041 N TYR A 129 13.665 3.176 -2.170 1.00 15.14 N ATOM 2042 CA TYR A 129 14.426 4.392 -1.861 1.00 35.13 C ATOM 2043 C TYR A 129 14.884 4.524 -0.392 1.00 21.04 C ATOM 2044 O TYR A 129 15.072 5.627 0.125 1.00 61.32 O ATOM 2045 CB TYR A 129 13.686 5.618 -2.430 1.00 1.24 C ATOM 2046 CG TYR A 129 13.966 5.899 -3.903 1.00 21.24 C ATOM 2047 CD1 TYR A 129 13.783 4.907 -4.893 1.00 22.04 C ATOM 2048 CD2 TYR A 129 14.459 7.164 -4.281 1.00 63.01 C ATOM 2049 CE1 TYR A 129 14.101 5.176 -6.236 1.00 31.22 C ATOM 2050 CE2 TYR A 129 14.790 7.433 -5.620 1.00 74.24 C ATOM 2051 CZ TYR A 129 14.616 6.437 -6.604 1.00 55.22 C ATOM 2052 OH TYR A 129 14.947 6.676 -7.900 1.00 20.12 O ATOM 0 H TYR A 129 14.112 2.585 -2.871 1.00 15.14 H new ATOM 0 HA TYR A 129 15.387 4.320 -2.369 1.00 35.13 H new ATOM 0 HB2 TYR A 129 12.614 5.473 -2.298 1.00 1.24 H new ATOM 0 HB3 TYR A 129 13.963 6.496 -1.847 1.00 1.24 H new ATOM 0 HD1 TYR A 129 13.397 3.937 -4.616 1.00 22.04 H new ATOM 0 HD2 TYR A 129 14.584 7.934 -3.534 1.00 63.01 H new ATOM 0 HE1 TYR A 129 13.951 4.415 -6.988 1.00 31.22 H new ATOM 0 HE2 TYR A 129 15.178 8.403 -5.896 1.00 74.24 H new ATOM 0 HH TYR A 129 15.286 7.591 -7.988 1.00 20.12 H new ATOM 2062 N ASP A 130 15.178 3.400 0.255 1.00 24.23 N ATOM 2063 CA ASP A 130 15.847 3.327 1.571 1.00 61.34 C ATOM 2064 C ASP A 130 17.103 2.441 1.508 1.00 4.21 C ATOM 2065 O ASP A 130 18.037 2.595 2.292 1.00 11.25 O ATOM 2066 CB ASP A 130 14.846 2.822 2.634 1.00 12.51 C ATOM 2067 CG ASP A 130 15.346 2.828 4.095 1.00 22.32 C ATOM 2068 OD1 ASP A 130 16.347 3.507 4.417 1.00 23.22 O ATOM 2069 OD2 ASP A 130 14.694 2.187 4.958 1.00 64.02 O ATOM 0 H ASP A 130 14.954 2.480 -0.125 1.00 24.23 H new ATOM 0 HA ASP A 130 16.179 4.325 1.856 1.00 61.34 H new ATOM 0 HB2 ASP A 130 13.946 3.435 2.577 1.00 12.51 H new ATOM 0 HB3 ASP A 130 14.555 1.804 2.375 1.00 12.51 H new ATOM 2074 N LEU A 131 17.186 1.507 0.553 1.00 21.22 N ATOM 2075 CA LEU A 131 18.037 0.333 0.673 1.00 60.13 C ATOM 2076 C LEU A 131 18.653 -0.087 -0.690 1.00 35.32 C ATOM 2077 O LEU A 131 18.030 0.138 -1.732 1.00 3.33 O ATOM 2078 CB LEU A 131 17.204 -0.676 1.477 1.00 35.15 C ATOM 2079 CG LEU A 131 16.221 -1.565 0.716 1.00 24.04 C ATOM 2080 CD1 LEU A 131 15.157 -0.770 -0.061 1.00 11.54 C ATOM 2081 CD2 LEU A 131 17.083 -2.506 -0.121 1.00 34.43 C ATOM 0 H LEU A 131 16.663 1.550 -0.321 1.00 21.22 H new ATOM 0 HA LEU A 131 18.964 0.486 1.226 1.00 60.13 H new ATOM 0 HB2 LEU A 131 17.895 -1.326 2.014 1.00 35.15 H new ATOM 0 HB3 LEU A 131 16.640 -0.121 2.227 1.00 35.15 H new ATOM 0 HG LEU A 131 15.594 -2.149 1.390 1.00 24.04 H new ATOM 0 HD11 LEU A 131 14.492 -1.461 -0.578 1.00 11.54 H new ATOM 0 HD12 LEU A 131 14.578 -0.161 0.634 1.00 11.54 H new ATOM 0 HD13 LEU A 131 15.646 -0.123 -0.790 1.00 11.54 H new ATOM 0 HD21 LEU A 131 16.441 -3.174 -0.695 1.00 34.43 H new ATOM 0 HD22 LEU A 131 17.701 -1.923 -0.803 1.00 34.43 H new ATOM 0 HD23 LEU A 131 17.723 -3.094 0.536 1.00 34.43 H new ATOM 2093 N PRO A 132 19.859 -0.692 -0.733 1.00 44.14 N ATOM 2094 CA PRO A 132 20.537 -1.093 -1.966 1.00 71.33 C ATOM 2095 C PRO A 132 20.163 -2.517 -2.413 1.00 22.12 C ATOM 2096 O PRO A 132 19.589 -3.298 -1.653 1.00 24.21 O ATOM 2097 CB PRO A 132 22.025 -1.037 -1.605 1.00 23.41 C ATOM 2098 CG PRO A 132 22.074 -1.397 -0.120 1.00 40.23 C ATOM 2099 CD PRO A 132 20.677 -1.070 0.408 1.00 63.30 C ATOM 0 HA PRO A 132 20.258 -0.445 -2.797 1.00 71.33 H new ATOM 0 HB2 PRO A 132 22.605 -1.740 -2.203 1.00 23.41 H new ATOM 0 HB3 PRO A 132 22.440 -0.046 -1.787 1.00 23.41 H new ATOM 0 HG2 PRO A 132 22.315 -2.450 0.024 1.00 40.23 H new ATOM 0 HG3 PRO A 132 22.839 -0.821 0.401 1.00 40.23 H new ATOM 0 HD2 PRO A 132 20.248 -1.932 0.919 1.00 63.30 H new ATOM 0 HD3 PRO A 132 20.721 -0.258 1.134 1.00 63.30 H new ATOM 2107 N ILE A 133 20.602 -2.919 -3.612 1.00 41.24 N ATOM 2108 CA ILE A 133 20.377 -4.249 -4.191 1.00 62.33 C ATOM 2109 C ILE A 133 20.788 -5.394 -3.259 1.00 55.41 C ATOM 2110 O ILE A 133 20.236 -6.494 -3.342 1.00 21.03 O ATOM 2111 CB ILE A 133 21.032 -4.342 -5.593 1.00 64.02 C ATOM 2112 CG1 ILE A 133 20.535 -5.589 -6.357 1.00 52.11 C ATOM 2113 CG2 ILE A 133 22.563 -4.311 -5.535 1.00 63.34 C ATOM 2114 CD1 ILE A 133 20.699 -5.474 -7.879 1.00 71.42 C ATOM 0 H ILE A 133 21.141 -2.308 -4.226 1.00 41.24 H new ATOM 0 HA ILE A 133 19.302 -4.375 -4.316 1.00 62.33 H new ATOM 0 HB ILE A 133 20.720 -3.453 -6.141 1.00 64.02 H new ATOM 0 HG12 ILE A 133 21.081 -6.464 -6.005 1.00 52.11 H new ATOM 0 HG13 ILE A 133 19.483 -5.754 -6.123 1.00 52.11 H new ATOM 0 HG21 ILE A 133 22.967 -4.379 -6.545 1.00 63.34 H new ATOM 0 HG22 ILE A 133 22.891 -3.379 -5.075 1.00 63.34 H new ATOM 0 HG23 ILE A 133 22.922 -5.153 -4.943 1.00 63.34 H new ATOM 0 HD11 ILE A 133 20.331 -6.383 -8.354 1.00 71.42 H new ATOM 0 HD12 ILE A 133 20.130 -4.618 -8.243 1.00 71.42 H new ATOM 0 HD13 ILE A 133 21.753 -5.339 -8.122 1.00 71.42 H new ATOM 2126 N GLY A 134 21.738 -5.147 -2.362 1.00 15.53 N ATOM 2127 CA GLY A 134 22.204 -6.142 -1.426 1.00 24.12 C ATOM 2128 C GLY A 134 21.193 -6.380 -0.316 1.00 60.31 C ATOM 2129 O GLY A 134 20.755 -7.522 -0.151 1.00 42.32 O ATOM 0 H GLY A 134 22.203 -4.244 -2.271 1.00 15.53 H new ATOM 0 HA2 GLY A 134 22.395 -7.077 -1.952 1.00 24.12 H new ATOM 0 HA3 GLY A 134 23.152 -5.821 -0.994 1.00 24.12 H new ATOM 2133 N GLU A 135 20.802 -5.339 0.424 1.00 4.11 N ATOM 2134 CA GLU A 135 19.986 -5.515 1.631 1.00 33.04 C ATOM 2135 C GLU A 135 18.574 -6.006 1.330 1.00 13.31 C ATOM 2136 O GLU A 135 17.880 -6.416 2.256 1.00 35.13 O ATOM 2137 CB GLU A 135 19.888 -4.235 2.464 1.00 42.13 C ATOM 2138 CG GLU A 135 21.250 -3.795 2.998 1.00 74.43 C ATOM 2139 CD GLU A 135 21.155 -2.601 3.944 1.00 3.25 C ATOM 2140 OE1 GLU A 135 20.177 -2.506 4.724 1.00 24.22 O ATOM 2141 OE2 GLU A 135 22.116 -1.805 3.954 1.00 21.32 O ATOM 0 H GLU A 135 21.035 -4.369 0.211 1.00 4.11 H new ATOM 0 HA GLU A 135 20.509 -6.280 2.204 1.00 33.04 H new ATOM 0 HB2 GLU A 135 19.462 -3.438 1.855 1.00 42.13 H new ATOM 0 HB3 GLU A 135 19.206 -4.397 3.299 1.00 42.13 H new ATOM 0 HG2 GLU A 135 21.718 -4.630 3.519 1.00 74.43 H new ATOM 0 HG3 GLU A 135 21.898 -3.539 2.160 1.00 74.43 H new ATOM 2148 N LEU A 136 18.162 -6.034 0.057 1.00 42.20 N ATOM 2149 CA LEU A 136 16.842 -6.484 -0.364 1.00 42.14 C ATOM 2150 C LEU A 136 16.469 -7.778 0.364 1.00 55.43 C ATOM 2151 O LEU A 136 15.415 -7.832 0.989 1.00 40.40 O ATOM 2152 CB LEU A 136 16.809 -6.657 -1.895 1.00 64.24 C ATOM 2153 CG LEU A 136 15.397 -6.580 -2.533 1.00 53.34 C ATOM 2154 CD1 LEU A 136 15.365 -7.327 -3.870 1.00 33.44 C ATOM 2155 CD2 LEU A 136 14.224 -7.109 -1.709 1.00 31.21 C ATOM 0 H LEU A 136 18.753 -5.737 -0.720 1.00 42.20 H new ATOM 0 HA LEU A 136 16.099 -5.732 -0.099 1.00 42.14 H new ATOM 0 HB2 LEU A 136 17.437 -5.889 -2.346 1.00 64.24 H new ATOM 0 HB3 LEU A 136 17.253 -7.620 -2.146 1.00 64.24 H new ATOM 0 HG LEU A 136 15.249 -5.504 -2.628 1.00 53.34 H new ATOM 0 HD11 LEU A 136 14.366 -7.260 -4.300 1.00 33.44 H new ATOM 0 HD12 LEU A 136 16.085 -6.879 -4.554 1.00 33.44 H new ATOM 0 HD13 LEU A 136 15.621 -8.374 -3.708 1.00 33.44 H new ATOM 0 HD21 LEU A 136 13.300 -6.993 -2.275 1.00 31.21 H new ATOM 0 HD22 LEU A 136 14.383 -8.164 -1.485 1.00 31.21 H new ATOM 0 HD23 LEU A 136 14.151 -6.548 -0.778 1.00 31.21 H new ATOM 2167 N LYS A 137 17.335 -8.802 0.347 1.00 72.11 N ATOM 2168 CA LYS A 137 17.041 -10.083 1.003 1.00 52.23 C ATOM 2169 C LYS A 137 16.704 -9.910 2.488 1.00 61.41 C ATOM 2170 O LYS A 137 15.722 -10.498 2.943 1.00 42.53 O ATOM 2171 CB LYS A 137 18.174 -11.102 0.819 1.00 13.23 C ATOM 2172 CG LYS A 137 18.357 -11.559 -0.641 1.00 63.12 C ATOM 2173 CD LYS A 137 18.736 -13.047 -0.757 1.00 33.21 C ATOM 2174 CE LYS A 137 20.018 -13.418 0.005 1.00 2.15 C ATOM 2175 NZ LYS A 137 21.168 -13.671 -0.884 1.00 72.42 N ATOM 0 H LYS A 137 18.244 -8.767 -0.114 1.00 72.11 H new ATOM 0 HA LYS A 137 16.155 -10.479 0.507 1.00 52.23 H new ATOM 0 HB2 LYS A 137 19.107 -10.664 1.174 1.00 13.23 H new ATOM 0 HB3 LYS A 137 17.973 -11.974 1.442 1.00 13.23 H new ATOM 0 HG2 LYS A 137 17.433 -11.380 -1.192 1.00 63.12 H new ATOM 0 HG3 LYS A 137 19.131 -10.954 -1.112 1.00 63.12 H new ATOM 0 HD2 LYS A 137 17.912 -13.653 -0.381 1.00 33.21 H new ATOM 0 HD3 LYS A 137 18.863 -13.300 -1.810 1.00 33.21 H new ATOM 0 HE2 LYS A 137 20.270 -12.612 0.694 1.00 2.15 H new ATOM 0 HE3 LYS A 137 19.831 -14.306 0.608 1.00 2.15 H new ATOM 0 HZ1 LYS A 137 22.001 -13.916 -0.312 1.00 72.42 H new ATOM 0 HZ2 LYS A 137 20.944 -14.459 -1.525 1.00 72.42 H new ATOM 0 HZ3 LYS A 137 21.370 -12.817 -1.442 1.00 72.42 H new ATOM 2189 N GLN A 138 17.450 -9.077 3.218 1.00 43.41 N ATOM 2190 CA GLN A 138 17.174 -8.766 4.616 1.00 64.02 C ATOM 2191 C GLN A 138 15.753 -8.214 4.754 1.00 61.41 C ATOM 2192 O GLN A 138 14.976 -8.682 5.587 1.00 53.34 O ATOM 2193 CB GLN A 138 18.233 -7.776 5.150 1.00 20.13 C ATOM 2194 CG GLN A 138 18.147 -7.530 6.659 1.00 34.24 C ATOM 2195 CD GLN A 138 18.223 -8.825 7.452 1.00 72.30 C ATOM 2196 OE1 GLN A 138 19.293 -9.419 7.604 1.00 74.42 O ATOM 2197 NE2 GLN A 138 17.089 -9.313 7.912 1.00 60.43 N ATOM 0 H GLN A 138 18.270 -8.596 2.848 1.00 43.41 H new ATOM 0 HA GLN A 138 17.236 -9.673 5.217 1.00 64.02 H new ATOM 0 HB2 GLN A 138 19.226 -8.157 4.910 1.00 20.13 H new ATOM 0 HB3 GLN A 138 18.122 -6.825 4.630 1.00 20.13 H new ATOM 0 HG2 GLN A 138 18.958 -6.869 6.965 1.00 34.24 H new ATOM 0 HG3 GLN A 138 17.213 -7.017 6.890 1.00 34.24 H new ATOM 0 HE21 GLN A 138 16.219 -8.800 7.772 1.00 60.43 H new ATOM 0 HE22 GLN A 138 17.081 -10.204 8.408 1.00 60.43 H new ATOM 2206 N THR A 139 15.379 -7.274 3.891 1.00 31.04 N ATOM 2207 CA THR A 139 14.046 -6.697 3.883 1.00 24.45 C ATOM 2208 C THR A 139 12.954 -7.707 3.507 1.00 14.22 C ATOM 2209 O THR A 139 11.774 -7.459 3.765 1.00 2.53 O ATOM 2210 CB THR A 139 14.024 -5.534 2.891 1.00 23.31 C ATOM 2211 OG1 THR A 139 15.174 -4.712 2.995 1.00 73.30 O ATOM 2212 CG2 THR A 139 12.785 -4.670 3.093 1.00 15.41 C ATOM 0 H THR A 139 15.998 -6.892 3.176 1.00 31.04 H new ATOM 0 HA THR A 139 13.827 -6.361 4.897 1.00 24.45 H new ATOM 0 HB THR A 139 14.009 -5.983 1.898 1.00 23.31 H new ATOM 0 HG1 THR A 139 15.196 -4.084 2.243 1.00 73.30 H new ATOM 0 HG21 THR A 139 12.793 -3.850 2.375 1.00 15.41 H new ATOM 0 HG22 THR A 139 11.891 -5.275 2.943 1.00 15.41 H new ATOM 0 HG23 THR A 139 12.784 -4.266 4.106 1.00 15.41 H new ATOM 2220 N ILE A 140 13.290 -8.843 2.890 1.00 1.34 N ATOM 2221 CA ILE A 140 12.293 -9.867 2.643 1.00 24.05 C ATOM 2222 C ILE A 140 11.923 -10.472 4.002 1.00 63.24 C ATOM 2223 O ILE A 140 10.732 -10.580 4.307 1.00 23.04 O ATOM 2224 CB ILE A 140 12.748 -10.957 1.646 1.00 64.03 C ATOM 2225 CG1 ILE A 140 13.389 -10.493 0.315 1.00 1.51 C ATOM 2226 CG2 ILE A 140 11.488 -11.772 1.354 1.00 52.32 C ATOM 2227 CD1 ILE A 140 12.457 -10.085 -0.831 1.00 43.43 C ATOM 0 H ILE A 140 14.229 -9.067 2.561 1.00 1.34 H new ATOM 0 HA ILE A 140 11.429 -9.408 2.163 1.00 24.05 H new ATOM 0 HB ILE A 140 13.565 -11.504 2.116 1.00 64.03 H new ATOM 0 HG12 ILE A 140 14.038 -9.645 0.535 1.00 1.51 H new ATOM 0 HG13 ILE A 140 14.028 -11.299 -0.046 1.00 1.51 H new ATOM 0 HG21 ILE A 140 11.726 -12.570 0.651 1.00 52.32 H new ATOM 0 HG22 ILE A 140 11.112 -12.205 2.281 1.00 52.32 H new ATOM 0 HG23 ILE A 140 10.727 -11.123 0.922 1.00 52.32 H new ATOM 0 HD11 ILE A 140 13.051 -9.785 -1.694 1.00 43.43 H new ATOM 0 HD12 ILE A 140 11.823 -10.929 -1.103 1.00 43.43 H new ATOM 0 HD13 ILE A 140 11.833 -9.250 -0.513 1.00 43.43 H new ATOM 2239 N GLN A 141 12.927 -10.887 4.786 1.00 33.11 N ATOM 2240 CA GLN A 141 12.732 -11.494 6.097 1.00 21.41 C ATOM 2241 C GLN A 141 11.891 -10.594 6.964 1.00 43.22 C ATOM 2242 O GLN A 141 10.818 -10.997 7.400 1.00 32.41 O ATOM 2243 CB GLN A 141 14.074 -11.763 6.793 1.00 75.32 C ATOM 2244 CG GLN A 141 14.744 -13.014 6.248 1.00 62.01 C ATOM 2245 CD GLN A 141 13.967 -14.264 6.621 1.00 34.31 C ATOM 2246 OE1 GLN A 141 13.300 -14.869 5.778 1.00 42.20 O ATOM 2247 NE2 GLN A 141 13.982 -14.668 7.876 1.00 61.02 N ATOM 0 H GLN A 141 13.908 -10.807 4.518 1.00 33.11 H new ATOM 0 HA GLN A 141 12.222 -12.446 5.950 1.00 21.41 H new ATOM 0 HB2 GLN A 141 14.734 -10.907 6.656 1.00 75.32 H new ATOM 0 HB3 GLN A 141 13.913 -11.873 7.865 1.00 75.32 H new ATOM 0 HG2 GLN A 141 14.824 -12.943 5.163 1.00 62.01 H new ATOM 0 HG3 GLN A 141 15.759 -13.085 6.638 1.00 62.01 H new ATOM 0 HE21 GLN A 141 14.536 -14.163 8.568 1.00 61.02 H new ATOM 0 HE22 GLN A 141 13.440 -15.486 8.155 1.00 61.02 H new ATOM 2256 N ASN A 142 12.389 -9.378 7.148 1.00 53.12 N ATOM 2257 CA ASN A 142 11.854 -8.404 8.090 1.00 22.45 C ATOM 2258 C ASN A 142 10.352 -8.250 7.916 1.00 24.33 C ATOM 2259 O ASN A 142 9.605 -8.253 8.888 1.00 11.15 O ATOM 2260 CB ASN A 142 12.518 -7.041 7.882 1.00 64.41 C ATOM 2261 CG ASN A 142 14.006 -7.029 8.188 1.00 55.54 C ATOM 2262 OD1 ASN A 142 14.582 -7.986 8.695 1.00 63.20 O ATOM 2263 ND2 ASN A 142 14.666 -5.955 7.821 1.00 23.33 N ATOM 0 H ASN A 142 13.198 -9.033 6.632 1.00 53.12 H new ATOM 0 HA ASN A 142 12.064 -8.767 9.096 1.00 22.45 H new ATOM 0 HB2 ASN A 142 12.367 -6.728 6.849 1.00 64.41 H new ATOM 0 HB3 ASN A 142 12.021 -6.305 8.514 1.00 64.41 H new ATOM 0 HD21 ASN A 142 15.676 -5.906 7.956 1.00 23.33 H new ATOM 0 HD22 ASN A 142 14.169 -5.170 7.401 1.00 23.33 H new ATOM 2270 N VAL A 143 9.889 -8.175 6.668 1.00 64.22 N ATOM 2271 CA VAL A 143 8.483 -7.908 6.391 1.00 43.20 C ATOM 2272 C VAL A 143 7.609 -9.058 6.900 1.00 53.33 C ATOM 2273 O VAL A 143 6.515 -8.825 7.416 1.00 53.31 O ATOM 2274 CB VAL A 143 8.331 -7.605 4.891 1.00 12.11 C ATOM 2275 CG1 VAL A 143 6.876 -7.618 4.408 1.00 40.13 C ATOM 2276 CG2 VAL A 143 8.935 -6.220 4.618 1.00 51.34 C ATOM 0 H VAL A 143 10.468 -8.295 5.837 1.00 64.22 H new ATOM 0 HA VAL A 143 8.131 -7.029 6.931 1.00 43.20 H new ATOM 0 HB VAL A 143 8.848 -8.394 4.345 1.00 12.11 H new ATOM 0 HG11 VAL A 143 6.845 -7.396 3.341 1.00 40.13 H new ATOM 0 HG12 VAL A 143 6.442 -8.602 4.587 1.00 40.13 H new ATOM 0 HG13 VAL A 143 6.305 -6.865 4.952 1.00 40.13 H new ATOM 0 HG21 VAL A 143 8.838 -5.983 3.558 1.00 51.34 H new ATOM 0 HG22 VAL A 143 8.407 -5.470 5.207 1.00 51.34 H new ATOM 0 HG23 VAL A 143 9.989 -6.222 4.895 1.00 51.34 H new ATOM 2286 N LYS A 144 8.074 -10.309 6.809 1.00 42.44 N ATOM 2287 CA LYS A 144 7.326 -11.430 7.376 1.00 74.11 C ATOM 2288 C LYS A 144 7.191 -11.316 8.898 1.00 75.24 C ATOM 2289 O LYS A 144 6.204 -11.846 9.421 1.00 4.43 O ATOM 2290 CB LYS A 144 8.015 -12.759 7.032 1.00 60.01 C ATOM 2291 CG LYS A 144 8.064 -13.035 5.526 1.00 0.34 C ATOM 2292 CD LYS A 144 9.107 -14.120 5.207 1.00 1.15 C ATOM 2293 CE LYS A 144 9.895 -13.697 3.971 1.00 32.32 C ATOM 2294 NZ LYS A 144 9.103 -13.856 2.722 1.00 54.34 N ATOM 0 H LYS A 144 8.951 -10.566 6.355 1.00 42.44 H new ATOM 0 HA LYS A 144 6.328 -11.402 6.939 1.00 74.11 H new ATOM 0 HB2 LYS A 144 9.031 -12.748 7.427 1.00 60.01 H new ATOM 0 HB3 LYS A 144 7.488 -13.574 7.528 1.00 60.01 H new ATOM 0 HG2 LYS A 144 7.082 -13.354 5.177 1.00 0.34 H new ATOM 0 HG3 LYS A 144 8.310 -12.118 4.991 1.00 0.34 H new ATOM 0 HD2 LYS A 144 9.779 -14.258 6.054 1.00 1.15 H new ATOM 0 HD3 LYS A 144 8.615 -15.077 5.032 1.00 1.15 H new ATOM 0 HE2 LYS A 144 10.202 -12.656 4.076 1.00 32.32 H new ATOM 0 HE3 LYS A 144 10.806 -14.292 3.901 1.00 32.32 H new ATOM 0 HZ1 LYS A 144 9.747 -14.009 1.920 1.00 54.34 H new ATOM 0 HZ2 LYS A 144 8.466 -14.673 2.816 1.00 54.34 H new ATOM 0 HZ3 LYS A 144 8.541 -12.997 2.555 1.00 54.34 H new ATOM 2308 N GLU A 145 8.145 -10.690 9.587 1.00 62.00 N ATOM 2309 CA GLU A 145 8.160 -10.531 11.040 1.00 23.03 C ATOM 2310 C GLU A 145 7.218 -9.405 11.446 1.00 41.24 C ATOM 2311 O GLU A 145 6.386 -9.581 12.331 1.00 35.23 O ATOM 2312 CB GLU A 145 9.570 -10.213 11.560 1.00 22.45 C ATOM 2313 CG GLU A 145 10.634 -11.142 10.982 1.00 31.43 C ATOM 2314 CD GLU A 145 11.938 -11.009 11.756 1.00 75.01 C ATOM 2315 OE1 GLU A 145 12.079 -11.663 12.812 1.00 1.35 O ATOM 2316 OE2 GLU A 145 12.857 -10.293 11.297 1.00 62.13 O ATOM 0 H GLU A 145 8.955 -10.266 9.134 1.00 62.00 H new ATOM 0 HA GLU A 145 7.834 -11.474 11.478 1.00 23.03 H new ATOM 0 HB2 GLU A 145 9.820 -9.182 11.312 1.00 22.45 H new ATOM 0 HB3 GLU A 145 9.578 -10.290 12.647 1.00 22.45 H new ATOM 0 HG2 GLU A 145 10.285 -12.174 11.022 1.00 31.43 H new ATOM 0 HG3 GLU A 145 10.802 -10.903 9.932 1.00 31.43 H new ATOM 2323 N GLU A 146 7.310 -8.266 10.763 1.00 0.25 N ATOM 2324 CA GLU A 146 6.473 -7.090 10.983 1.00 44.23 C ATOM 2325 C GLU A 146 5.001 -7.500 10.842 1.00 22.35 C ATOM 2326 O GLU A 146 4.166 -7.267 11.716 1.00 12.53 O ATOM 2327 CB GLU A 146 6.862 -6.036 9.941 1.00 1.51 C ATOM 2328 CG GLU A 146 8.288 -5.471 10.075 1.00 55.32 C ATOM 2329 CD GLU A 146 8.451 -4.270 11.018 1.00 21.02 C ATOM 2330 OE1 GLU A 146 7.436 -3.601 11.335 1.00 2.41 O ATOM 2331 OE2 GLU A 146 9.622 -3.887 11.277 1.00 55.10 O ATOM 0 H GLU A 146 7.992 -8.133 10.016 1.00 0.25 H new ATOM 0 HA GLU A 146 6.616 -6.674 11.980 1.00 44.23 H new ATOM 0 HB2 GLU A 146 6.754 -6.474 8.949 1.00 1.51 H new ATOM 0 HB3 GLU A 146 6.154 -5.209 10.003 1.00 1.51 H new ATOM 0 HG2 GLU A 146 8.943 -6.271 10.421 1.00 55.32 H new ATOM 0 HG3 GLU A 146 8.636 -5.179 9.084 1.00 55.32 H new ATOM 2338 N ASN A 147 4.710 -8.242 9.771 1.00 73.43 N ATOM 2339 CA ASN A 147 3.399 -8.806 9.482 1.00 35.24 C ATOM 2340 C ASN A 147 2.898 -9.742 10.582 1.00 55.11 C ATOM 2341 O ASN A 147 1.705 -10.045 10.630 1.00 71.14 O ATOM 2342 CB ASN A 147 3.471 -9.628 8.186 1.00 43.44 C ATOM 2343 CG ASN A 147 3.506 -8.799 6.916 1.00 32.42 C ATOM 2344 OD1 ASN A 147 3.311 -7.595 6.932 1.00 20.34 O ATOM 2345 ND2 ASN A 147 3.714 -9.445 5.783 1.00 61.34 N ATOM 0 H ASN A 147 5.406 -8.471 9.061 1.00 73.43 H new ATOM 0 HA ASN A 147 2.712 -7.964 9.399 1.00 35.24 H new ATOM 0 HB2 ASN A 147 4.361 -10.257 8.219 1.00 43.44 H new ATOM 0 HB3 ASN A 147 2.610 -10.295 8.146 1.00 43.44 H new ATOM 0 HD21 ASN A 147 3.714 -8.937 4.899 1.00 61.34 H new ATOM 0 HD22 ASN A 147 3.875 -10.452 5.792 1.00 61.34 H new ATOM 2352 N ALA A 148 3.777 -10.320 11.401 1.00 4.15 N ATOM 2353 CA ALA A 148 3.376 -11.201 12.490 1.00 24.04 C ATOM 2354 C ALA A 148 2.778 -10.403 13.646 1.00 23.43 C ATOM 2355 O ALA A 148 1.801 -10.858 14.241 1.00 15.22 O ATOM 2356 CB ALA A 148 4.573 -12.033 12.960 1.00 52.13 C ATOM 0 H ALA A 148 4.786 -10.189 11.325 1.00 4.15 H new ATOM 0 HA ALA A 148 2.605 -11.878 12.123 1.00 24.04 H new ATOM 0 HB1 ALA A 148 4.263 -12.688 13.774 1.00 52.13 H new ATOM 0 HB2 ALA A 148 4.946 -12.635 12.131 1.00 52.13 H new ATOM 0 HB3 ALA A 148 5.363 -11.369 13.310 1.00 52.13 H new ATOM 2362 N ALA A 149 3.328 -9.223 13.935 1.00 0.54 N ATOM 2363 CA ALA A 149 2.775 -8.316 14.927 1.00 71.11 C ATOM 2364 C ALA A 149 1.421 -7.796 14.444 1.00 32.14 C ATOM 2365 O ALA A 149 0.442 -7.938 15.166 1.00 2.45 O ATOM 2366 CB ALA A 149 3.770 -7.188 15.197 1.00 33.43 C ATOM 0 H ALA A 149 4.173 -8.873 13.483 1.00 0.54 H new ATOM 0 HA ALA A 149 2.608 -8.837 15.870 1.00 71.11 H new ATOM 0 HB1 ALA A 149 3.356 -6.508 15.941 1.00 33.43 H new ATOM 0 HB2 ALA A 149 4.704 -7.608 15.570 1.00 33.43 H new ATOM 0 HB3 ALA A 149 3.961 -6.642 14.273 1.00 33.43 H new ATOM 2372 N PHE A 150 1.304 -7.310 13.201 1.00 43.34 N ATOM 2373 CA PHE A 150 0.006 -6.836 12.709 1.00 75.41 C ATOM 2374 C PHE A 150 -1.079 -7.919 12.861 1.00 52.23 C ATOM 2375 O PHE A 150 -2.161 -7.659 13.395 1.00 40.30 O ATOM 2376 CB PHE A 150 0.093 -6.343 11.257 1.00 54.43 C ATOM 2377 CG PHE A 150 -1.228 -5.754 10.788 1.00 11.33 C ATOM 2378 CD1 PHE A 150 -2.260 -6.597 10.332 1.00 1.21 C ATOM 2379 CD2 PHE A 150 -1.476 -4.376 10.926 1.00 72.00 C ATOM 2380 CE1 PHE A 150 -3.530 -6.073 10.045 1.00 21.42 C ATOM 2381 CE2 PHE A 150 -2.749 -3.854 10.638 1.00 40.42 C ATOM 2382 CZ PHE A 150 -3.782 -4.700 10.203 1.00 1.24 C ATOM 0 H PHE A 150 2.072 -7.236 12.533 1.00 43.34 H new ATOM 0 HA PHE A 150 -0.280 -5.985 13.326 1.00 75.41 H new ATOM 0 HB2 PHE A 150 0.878 -5.591 11.173 1.00 54.43 H new ATOM 0 HB3 PHE A 150 0.374 -7.171 10.607 1.00 54.43 H new ATOM 0 HD1 PHE A 150 -2.073 -7.653 10.202 1.00 1.21 H new ATOM 0 HD2 PHE A 150 -0.686 -3.717 11.254 1.00 72.00 H new ATOM 0 HE1 PHE A 150 -4.317 -6.728 9.701 1.00 21.42 H new ATOM 0 HE2 PHE A 150 -2.934 -2.796 10.752 1.00 40.42 H new ATOM 0 HZ PHE A 150 -4.762 -4.298 9.992 1.00 1.24 H new ATOM 2392 N LYS A 151 -0.796 -9.146 12.399 1.00 63.00 N ATOM 2393 CA LYS A 151 -1.749 -10.260 12.435 1.00 43.11 C ATOM 2394 C LYS A 151 -1.944 -10.839 13.844 1.00 31.32 C ATOM 2395 O LYS A 151 -2.687 -11.806 14.016 1.00 55.23 O ATOM 2396 CB LYS A 151 -1.368 -11.308 11.374 1.00 33.12 C ATOM 2397 CG LYS A 151 -0.383 -12.365 11.874 1.00 34.03 C ATOM 2398 CD LYS A 151 -0.099 -13.448 10.831 1.00 14.45 C ATOM 2399 CE LYS A 151 0.673 -12.943 9.608 1.00 41.41 C ATOM 2400 NZ LYS A 151 2.138 -12.946 9.790 1.00 35.43 N ATOM 0 H LYS A 151 0.105 -9.392 11.989 1.00 63.00 H new ATOM 0 HA LYS A 151 -2.736 -9.878 12.174 1.00 43.11 H new ATOM 0 HB2 LYS A 151 -2.274 -11.805 11.026 1.00 33.12 H new ATOM 0 HB3 LYS A 151 -0.934 -10.799 10.514 1.00 33.12 H new ATOM 0 HG2 LYS A 151 0.553 -11.881 12.153 1.00 34.03 H new ATOM 0 HG3 LYS A 151 -0.782 -12.830 12.775 1.00 34.03 H new ATOM 0 HD2 LYS A 151 0.469 -14.251 11.301 1.00 14.45 H new ATOM 0 HD3 LYS A 151 -1.045 -13.877 10.500 1.00 14.45 H new ATOM 0 HE2 LYS A 151 0.421 -13.564 8.748 1.00 41.41 H new ATOM 0 HE3 LYS A 151 0.346 -11.929 9.376 1.00 41.41 H new ATOM 0 HZ1 LYS A 151 2.495 -11.970 9.751 1.00 35.43 H new ATOM 0 HZ2 LYS A 151 2.372 -13.363 10.713 1.00 35.43 H new ATOM 0 HZ3 LYS A 151 2.581 -13.507 9.034 1.00 35.43 H new ATOM 2414 N GLU A 152 -1.229 -10.344 14.851 1.00 53.32 N ATOM 2415 CA GLU A 152 -1.471 -10.678 16.247 1.00 53.22 C ATOM 2416 C GLU A 152 -2.850 -10.144 16.631 1.00 1.44 C ATOM 2417 O GLU A 152 -3.719 -10.899 17.059 1.00 4.12 O ATOM 2418 CB GLU A 152 -0.343 -10.071 17.091 1.00 71.20 C ATOM 2419 CG GLU A 152 -0.334 -10.572 18.523 1.00 74.31 C ATOM 2420 CD GLU A 152 0.593 -9.710 19.371 1.00 42.33 C ATOM 2421 OE1 GLU A 152 0.178 -8.600 19.781 1.00 61.33 O ATOM 2422 OE2 GLU A 152 1.754 -10.132 19.588 1.00 0.24 O ATOM 0 H GLU A 152 -0.456 -9.692 14.716 1.00 53.32 H new ATOM 0 HA GLU A 152 -1.470 -11.754 16.421 1.00 53.22 H new ATOM 0 HB2 GLU A 152 0.615 -10.302 16.626 1.00 71.20 H new ATOM 0 HB3 GLU A 152 -0.443 -8.986 17.093 1.00 71.20 H new ATOM 0 HG2 GLU A 152 -1.344 -10.546 18.932 1.00 74.31 H new ATOM 0 HG3 GLU A 152 -0.005 -11.611 18.551 1.00 74.31 H new ATOM 2429 N ILE A 153 -3.049 -8.843 16.428 1.00 24.45 N ATOM 2430 CA ILE A 153 -4.256 -8.130 16.809 1.00 13.54 C ATOM 2431 C ILE A 153 -5.298 -8.282 15.704 1.00 54.30 C ATOM 2432 O ILE A 153 -6.484 -8.412 16.012 1.00 21.04 O ATOM 2433 CB ILE A 153 -3.902 -6.649 17.040 1.00 1.53 C ATOM 2434 CG1 ILE A 153 -2.823 -6.507 18.147 1.00 1.43 C ATOM 2435 CG2 ILE A 153 -5.123 -5.783 17.401 1.00 64.44 C ATOM 2436 CD1 ILE A 153 -2.142 -5.142 18.206 1.00 73.20 C ATOM 0 H ILE A 153 -2.354 -8.244 15.982 1.00 24.45 H new ATOM 0 HA ILE A 153 -4.672 -8.539 17.730 1.00 13.54 H new ATOM 0 HB ILE A 153 -3.512 -6.283 16.090 1.00 1.53 H new ATOM 0 HG12 ILE A 153 -3.285 -6.709 19.113 1.00 1.43 H new ATOM 0 HG13 ILE A 153 -2.061 -7.271 17.992 1.00 1.43 H new ATOM 0 HG21 ILE A 153 -4.806 -4.751 17.551 1.00 64.44 H new ATOM 0 HG22 ILE A 153 -5.851 -5.825 16.591 1.00 64.44 H new ATOM 0 HG23 ILE A 153 -5.578 -6.159 18.317 1.00 64.44 H new ATOM 0 HD11 ILE A 153 -1.405 -5.138 19.009 1.00 73.20 H new ATOM 0 HD12 ILE A 153 -1.646 -4.942 17.256 1.00 73.20 H new ATOM 0 HD13 ILE A 153 -2.889 -4.371 18.395 1.00 73.20 H new ATOM 2448 N HIS A 154 -4.885 -8.229 14.432 1.00 73.43 N ATOM 2449 CA HIS A 154 -5.785 -8.038 13.297 1.00 21.24 C ATOM 2450 C HIS A 154 -5.529 -9.075 12.172 1.00 54.54 C ATOM 2451 O HIS A 154 -5.222 -8.705 11.035 1.00 60.04 O ATOM 2452 CB HIS A 154 -5.690 -6.545 12.888 1.00 24.45 C ATOM 2453 CG HIS A 154 -6.981 -5.771 12.995 1.00 42.54 C ATOM 2454 ND1 HIS A 154 -7.444 -4.842 12.086 1.00 21.31 N ATOM 2455 CD2 HIS A 154 -7.842 -5.773 14.059 1.00 53.33 C ATOM 2456 CE1 HIS A 154 -8.559 -4.299 12.591 1.00 15.53 C ATOM 2457 NE2 HIS A 154 -8.876 -4.868 13.769 1.00 4.14 N ATOM 0 H HIS A 154 -3.905 -8.319 14.163 1.00 73.43 H new ATOM 0 HA HIS A 154 -6.824 -8.240 13.559 1.00 21.24 H new ATOM 0 HB2 HIS A 154 -4.940 -6.060 13.513 1.00 24.45 H new ATOM 0 HB3 HIS A 154 -5.334 -6.488 11.860 1.00 24.45 H new ATOM 0 HD1 HIS A 154 -7.014 -4.610 11.190 1.00 21.31 H new ATOM 0 HD2 HIS A 154 -7.744 -6.363 14.958 1.00 53.33 H new ATOM 0 HE1 HIS A 154 -9.127 -3.512 12.118 1.00 15.53 H new ATOM 2465 N PRO A 155 -5.649 -10.389 12.436 1.00 14.43 N ATOM 2466 CA PRO A 155 -5.454 -11.432 11.430 1.00 32.14 C ATOM 2467 C PRO A 155 -6.525 -11.475 10.333 1.00 62.04 C ATOM 2468 O PRO A 155 -7.709 -11.152 10.570 1.00 12.21 O ATOM 2469 CB PRO A 155 -5.396 -12.749 12.204 1.00 73.24 C ATOM 2470 CG PRO A 155 -6.083 -12.465 13.537 1.00 35.45 C ATOM 2471 CD PRO A 155 -5.888 -10.971 13.749 1.00 52.33 C ATOM 0 HA PRO A 155 -4.537 -11.228 10.877 1.00 32.14 H new ATOM 0 HB2 PRO A 155 -5.904 -13.546 11.662 1.00 73.24 H new ATOM 0 HB3 PRO A 155 -4.366 -13.072 12.354 1.00 73.24 H new ATOM 0 HG2 PRO A 155 -7.140 -12.727 13.504 1.00 35.45 H new ATOM 0 HG3 PRO A 155 -5.637 -13.043 14.346 1.00 35.45 H new ATOM 0 HD2 PRO A 155 -6.769 -10.528 14.214 1.00 52.33 H new ATOM 0 HD3 PRO A 155 -5.046 -10.781 14.415 1.00 52.33 H new TER 2479 PRO A 155