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 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 98 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 1.3 (180deg=-0.0168) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 8:sc= 1.12 USER MOD Single : A 7 THR OG1 : rot -35:sc= 0.584 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0139) USER MOD Single : A 21 THR OG1 : rot 17:sc= 0.0422 USER MOD Single : A 22 SER OG : rot -32:sc= 0.101 USER MOD Single : A 23 SER OG : rot -69:sc= 1.13 USER MOD Single : A 27 GLN : amide:sc= 1.74 K(o=1.7,f=-7.2!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -41:sc= 0.236 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 43:sc= 0.25 USER MOD Single : A 40 THR OG1 : rot 81:sc= 0.00428 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00273 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 56 LYS NZ :NH3+ 172:sc=-0.000968 (180deg=-0.0656) USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= 1.23 (180deg=0.756) USER MOD Single : A 66 THR OG1 : rot -140:sc= 0.85 USER MOD Single : A 67 MET CE :methyl -175:sc= -0.559 (180deg=-0.738) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.702 USER MOD Single : A 83 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.733) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.606 K(o=-0.61,f=-3.3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.011) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.5!) USER MOD Single : A 116 LYS NZ :NH3+ 153:sc= 1.26 (180deg=0.837) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 150:sc= -0.0424 USER MOD Single : A 123 TYR OH : rot 177:sc= 1.26 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 2:sc= 0 USER MOD Single : A 129 TYR OH : rot 149:sc= 1.18 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 GLN : amide:sc= 0.336 K(o=0.34,f=-0.18) USER MOD Single : A 139 THR OG1 : rot 150:sc= 0.0241 USER MOD Single : A 141 GLN :FLIP amide:sc= 0.28 F(o=-0.81,f=0.28) USER MOD Single : A 142 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 144 LYS NZ :NH3+ -159:sc= -0.0175 (180deg=-0.15) USER MOD Single : A 147 ASN : amide:sc= 0.635 K(o=0.63,f=-6.8!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 HIS : no HE2:sc=-0.00907 K(o=-0.0091,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.907 -11.057 9.931 1.00 4.31 N ATOM 2 CA GLY A 1 -18.160 -12.034 9.125 1.00 0.24 C ATOM 3 C GLY A 1 -19.066 -12.654 8.083 1.00 40.31 C ATOM 4 O GLY A 1 -19.480 -13.811 8.218 1.00 1.24 O ATOM 0 H1 GLY A 1 -18.320 -10.213 10.085 1.00 4.31 H new ATOM 0 H2 GLY A 1 -19.777 -10.787 9.430 1.00 4.31 H new ATOM 0 H3 GLY A 1 -19.153 -11.480 10.849 1.00 4.31 H new ATOM 0 HA2 GLY A 1 -17.316 -11.545 8.639 1.00 0.24 H new ATOM 0 HA3 GLY A 1 -17.750 -12.811 9.770 1.00 0.24 H new ATOM 8 N ASP A 2 -19.425 -11.871 7.069 1.00 2.12 N ATOM 9 CA ASP A 2 -20.602 -12.057 6.227 1.00 64.41 C ATOM 10 C ASP A 2 -20.232 -11.756 4.784 1.00 0.32 C ATOM 11 O ASP A 2 -19.120 -11.297 4.497 1.00 73.32 O ATOM 12 CB ASP A 2 -21.735 -11.111 6.673 1.00 24.30 C ATOM 13 CG ASP A 2 -21.965 -11.178 8.174 1.00 71.12 C ATOM 14 OD1 ASP A 2 -22.576 -12.160 8.649 1.00 74.11 O ATOM 15 OD2 ASP A 2 -21.382 -10.354 8.908 1.00 3.14 O ATOM 0 H ASP A 2 -18.878 -11.053 6.800 1.00 2.12 H new ATOM 0 HA ASP A 2 -20.948 -13.087 6.318 1.00 64.41 H new ATOM 0 HB2 ASP A 2 -21.489 -10.088 6.388 1.00 24.30 H new ATOM 0 HB3 ASP A 2 -22.655 -11.374 6.152 1.00 24.30 H new ATOM 20 N SER A 3 -21.170 -12.003 3.881 1.00 72.14 N ATOM 21 CA SER A 3 -21.009 -11.836 2.449 1.00 55.32 C ATOM 22 C SER A 3 -22.362 -11.451 1.858 1.00 60.12 C ATOM 23 O SER A 3 -23.400 -11.736 2.458 1.00 55.44 O ATOM 24 CB SER A 3 -20.487 -13.139 1.814 1.00 60.10 C ATOM 25 OG SER A 3 -20.453 -14.261 2.693 1.00 35.25 O ATOM 0 H SER A 3 -22.098 -12.338 4.138 1.00 72.14 H new ATOM 0 HA SER A 3 -20.280 -11.052 2.241 1.00 55.32 H new ATOM 0 HB2 SER A 3 -21.114 -13.386 0.957 1.00 60.10 H new ATOM 0 HB3 SER A 3 -19.481 -12.963 1.433 1.00 60.10 H new ATOM 0 HG SER A 3 -20.112 -15.044 2.212 1.00 35.25 H new ATOM 31 N GLU A 4 -22.361 -10.863 0.666 1.00 0.42 N ATOM 32 CA GLU A 4 -23.553 -10.545 -0.111 1.00 61.21 C ATOM 33 C GLU A 4 -23.284 -10.842 -1.588 1.00 61.25 C ATOM 34 O GLU A 4 -22.127 -11.034 -1.972 1.00 52.33 O ATOM 35 CB GLU A 4 -23.978 -9.082 0.125 1.00 64.35 C ATOM 36 CG GLU A 4 -22.856 -8.035 -0.037 1.00 71.02 C ATOM 37 CD GLU A 4 -22.088 -7.759 1.264 1.00 2.21 C ATOM 38 OE1 GLU A 4 -22.644 -7.071 2.152 1.00 72.45 O ATOM 39 OE2 GLU A 4 -20.916 -8.187 1.393 1.00 24.40 O ATOM 0 H GLU A 4 -21.498 -10.585 0.198 1.00 0.42 H new ATOM 0 HA GLU A 4 -24.386 -11.168 0.213 1.00 61.21 H new ATOM 0 HB2 GLU A 4 -24.783 -8.838 -0.569 1.00 64.35 H new ATOM 0 HB3 GLU A 4 -24.388 -8.998 1.131 1.00 64.35 H new ATOM 0 HG2 GLU A 4 -22.155 -8.379 -0.798 1.00 71.02 H new ATOM 0 HG3 GLU A 4 -23.289 -7.103 -0.400 1.00 71.02 H new ATOM 46 N LEU A 5 -24.321 -10.928 -2.422 1.00 31.20 N ATOM 47 CA LEU A 5 -24.228 -11.100 -3.872 1.00 13.12 C ATOM 48 C LEU A 5 -25.592 -10.766 -4.482 1.00 3.50 C ATOM 49 O LEU A 5 -26.543 -10.522 -3.742 1.00 70.45 O ATOM 50 CB LEU A 5 -23.842 -12.553 -4.218 1.00 2.50 C ATOM 51 CG LEU A 5 -22.822 -12.636 -5.365 1.00 43.43 C ATOM 52 CD1 LEU A 5 -21.403 -12.266 -4.914 1.00 30.34 C ATOM 53 CD2 LEU A 5 -22.820 -14.062 -5.920 1.00 11.50 C ATOM 0 H LEU A 5 -25.285 -10.878 -2.093 1.00 31.20 H new ATOM 0 HA LEU A 5 -23.460 -10.439 -4.274 1.00 13.12 H new ATOM 0 HB2 LEU A 5 -23.428 -13.036 -3.333 1.00 2.50 H new ATOM 0 HB3 LEU A 5 -24.739 -13.108 -4.493 1.00 2.50 H new ATOM 0 HG LEU A 5 -23.118 -11.918 -6.129 1.00 43.43 H new ATOM 0 HD11 LEU A 5 -20.721 -12.341 -5.761 1.00 30.34 H new ATOM 0 HD12 LEU A 5 -21.397 -11.245 -4.532 1.00 30.34 H new ATOM 0 HD13 LEU A 5 -21.081 -12.949 -4.128 1.00 30.34 H new ATOM 0 HD21 LEU A 5 -22.100 -14.134 -6.735 1.00 11.50 H new ATOM 0 HD22 LEU A 5 -22.544 -14.760 -5.129 1.00 11.50 H new ATOM 0 HD23 LEU A 5 -23.814 -14.309 -6.292 1.00 11.50 H new ATOM 65 N THR A 6 -25.719 -10.840 -5.809 1.00 73.24 N ATOM 66 CA THR A 6 -26.814 -10.425 -6.663 1.00 53.11 C ATOM 67 C THR A 6 -26.994 -8.916 -6.569 1.00 33.41 C ATOM 68 O THR A 6 -26.789 -8.338 -5.502 1.00 12.31 O ATOM 69 CB THR A 6 -28.078 -11.301 -6.480 1.00 14.30 C ATOM 70 OG1 THR A 6 -28.541 -11.401 -5.148 1.00 51.43 O ATOM 71 CG2 THR A 6 -27.843 -12.727 -6.975 1.00 73.45 C ATOM 0 H THR A 6 -24.964 -11.240 -6.367 1.00 73.24 H new ATOM 0 HA THR A 6 -26.571 -10.614 -7.709 1.00 53.11 H new ATOM 0 HB THR A 6 -28.835 -10.784 -7.069 1.00 14.30 H new ATOM 0 HG1 THR A 6 -28.040 -10.779 -4.580 1.00 51.43 H new ATOM 0 HG21 THR A 6 -28.749 -13.316 -6.832 1.00 73.45 H new ATOM 0 HG22 THR A 6 -27.586 -12.707 -8.034 1.00 73.45 H new ATOM 0 HG23 THR A 6 -27.025 -13.177 -6.412 1.00 73.45 H new ATOM 79 N THR A 7 -27.485 -8.315 -7.662 1.00 13.11 N ATOM 80 CA THR A 7 -28.199 -7.040 -7.643 1.00 70.25 C ATOM 81 C THR A 7 -27.420 -5.930 -6.907 1.00 22.34 C ATOM 82 O THR A 7 -28.021 -5.007 -6.349 1.00 22.40 O ATOM 83 CB THR A 7 -29.649 -7.321 -7.169 1.00 14.30 C ATOM 84 OG1 THR A 7 -30.442 -6.156 -7.141 1.00 21.22 O ATOM 85 CG2 THR A 7 -29.760 -8.044 -5.819 1.00 10.51 C ATOM 0 H THR A 7 -27.393 -8.712 -8.597 1.00 13.11 H new ATOM 0 HA THR A 7 -28.275 -6.607 -8.640 1.00 70.25 H new ATOM 0 HB THR A 7 -30.032 -8.006 -7.926 1.00 14.30 H new ATOM 0 HG1 THR A 7 -29.889 -5.390 -6.881 1.00 21.22 H new ATOM 0 HG21 THR A 7 -30.811 -8.196 -5.573 1.00 10.51 H new ATOM 0 HG22 THR A 7 -29.259 -9.010 -5.881 1.00 10.51 H new ATOM 0 HG23 THR A 7 -29.289 -7.440 -5.043 1.00 10.51 H new ATOM 93 N GLN A 8 -26.087 -6.003 -6.925 1.00 71.03 N ATOM 94 CA GLN A 8 -25.169 -5.136 -6.220 1.00 42.14 C ATOM 95 C GLN A 8 -24.475 -4.311 -7.294 1.00 33.03 C ATOM 96 O GLN A 8 -23.580 -4.820 -7.970 1.00 12.21 O ATOM 97 CB GLN A 8 -24.184 -6.009 -5.413 1.00 13.41 C ATOM 98 CG GLN A 8 -23.133 -5.190 -4.647 1.00 22.11 C ATOM 99 CD GLN A 8 -22.000 -6.066 -4.111 1.00 73.33 C ATOM 100 OE1 GLN A 8 -21.238 -6.650 -4.875 1.00 13.41 O ATOM 101 NE2 GLN A 8 -21.832 -6.158 -2.806 1.00 65.11 N ATOM 0 H GLN A 8 -25.601 -6.716 -7.468 1.00 71.03 H new ATOM 0 HA GLN A 8 -25.658 -4.473 -5.506 1.00 42.14 H new ATOM 0 HB2 GLN A 8 -24.746 -6.619 -4.705 1.00 13.41 H new ATOM 0 HB3 GLN A 8 -23.676 -6.694 -6.092 1.00 13.41 H new ATOM 0 HG2 GLN A 8 -22.719 -4.426 -5.305 1.00 22.11 H new ATOM 0 HG3 GLN A 8 -23.613 -4.671 -3.817 1.00 22.11 H new ATOM 0 HE21 GLN A 8 -22.468 -5.671 -2.174 1.00 65.11 H new ATOM 0 HE22 GLN A 8 -21.066 -6.716 -2.428 1.00 65.11 H new ATOM 110 N ASP A 9 -24.836 -3.037 -7.450 1.00 31.14 N ATOM 111 CA ASP A 9 -24.249 -2.144 -8.460 1.00 64.35 C ATOM 112 C ASP A 9 -22.859 -1.626 -8.057 1.00 5.53 C ATOM 113 O ASP A 9 -22.489 -0.496 -8.369 1.00 41.44 O ATOM 114 CB ASP A 9 -25.235 -1.018 -8.819 1.00 53.25 C ATOM 115 CG ASP A 9 -25.182 -0.644 -10.308 1.00 4.43 C ATOM 116 OD1 ASP A 9 -25.152 -1.570 -11.157 1.00 53.21 O ATOM 117 OD2 ASP A 9 -25.237 0.559 -10.667 1.00 24.11 O ATOM 0 H ASP A 9 -25.550 -2.588 -6.876 1.00 31.14 H new ATOM 0 HA ASP A 9 -24.078 -2.727 -9.365 1.00 64.35 H new ATOM 0 HB2 ASP A 9 -26.247 -1.330 -8.562 1.00 53.25 H new ATOM 0 HB3 ASP A 9 -25.010 -0.137 -8.218 1.00 53.25 H new ATOM 122 N GLY A 10 -22.100 -2.442 -7.324 1.00 33.44 N ATOM 123 CA GLY A 10 -20.724 -2.253 -6.874 1.00 1.12 C ATOM 124 C GLY A 10 -20.647 -2.365 -5.352 1.00 31.24 C ATOM 125 O GLY A 10 -21.522 -1.854 -4.645 1.00 72.24 O ATOM 0 H GLY A 10 -22.470 -3.336 -7.001 1.00 33.44 H new ATOM 0 HA2 GLY A 10 -20.077 -3.000 -7.334 1.00 1.12 H new ATOM 0 HA3 GLY A 10 -20.360 -1.276 -7.193 1.00 1.12 H new ATOM 129 N GLU A 11 -19.631 -3.052 -4.836 1.00 11.42 N ATOM 130 CA GLU A 11 -19.349 -3.170 -3.408 1.00 32.21 C ATOM 131 C GLU A 11 -19.006 -1.783 -2.832 1.00 5.53 C ATOM 132 O GLU A 11 -18.653 -0.868 -3.581 1.00 70.01 O ATOM 133 CB GLU A 11 -18.186 -4.166 -3.268 1.00 3.10 C ATOM 134 CG GLU A 11 -18.066 -4.798 -1.883 1.00 31.13 C ATOM 135 CD GLU A 11 -17.068 -5.959 -1.878 1.00 24.20 C ATOM 136 OE1 GLU A 11 -17.231 -6.938 -2.638 1.00 14.14 O ATOM 137 OE2 GLU A 11 -16.038 -5.866 -1.168 1.00 31.43 O ATOM 0 H GLU A 11 -18.962 -3.557 -5.417 1.00 11.42 H new ATOM 0 HA GLU A 11 -20.209 -3.535 -2.847 1.00 32.21 H new ATOM 0 HB2 GLU A 11 -18.310 -4.958 -4.007 1.00 3.10 H new ATOM 0 HB3 GLU A 11 -17.253 -3.653 -3.503 1.00 3.10 H new ATOM 0 HG2 GLU A 11 -17.750 -4.042 -1.164 1.00 31.13 H new ATOM 0 HG3 GLU A 11 -19.043 -5.156 -1.560 1.00 31.13 H new ATOM 144 N ASP A 12 -19.103 -1.589 -1.516 1.00 30.33 N ATOM 145 CA ASP A 12 -18.742 -0.314 -0.877 1.00 51.45 C ATOM 146 C ASP A 12 -17.251 -0.213 -0.573 1.00 70.35 C ATOM 147 O ASP A 12 -16.551 -1.225 -0.590 1.00 53.44 O ATOM 148 CB ASP A 12 -19.503 -0.071 0.428 1.00 33.14 C ATOM 149 CG ASP A 12 -19.787 1.422 0.532 1.00 71.43 C ATOM 150 OD1 ASP A 12 -20.753 1.895 -0.100 1.00 43.34 O ATOM 151 OD2 ASP A 12 -18.969 2.142 1.141 1.00 13.41 O ATOM 0 H ASP A 12 -19.431 -2.302 -0.864 1.00 30.33 H new ATOM 0 HA ASP A 12 -19.020 0.445 -1.608 1.00 51.45 H new ATOM 0 HB2 ASP A 12 -20.434 -0.638 0.438 1.00 33.14 H new ATOM 0 HB3 ASP A 12 -18.915 -0.408 1.281 1.00 33.14 H new ATOM 156 N PHE A 13 -16.789 0.989 -0.210 1.00 34.30 N ATOM 157 CA PHE A 13 -15.418 1.272 0.177 1.00 71.02 C ATOM 158 C PHE A 13 -15.076 0.504 1.455 1.00 25.41 C ATOM 159 O PHE A 13 -14.355 -0.489 1.390 1.00 0.40 O ATOM 160 CB PHE A 13 -15.214 2.790 0.331 1.00 25.11 C ATOM 161 CG PHE A 13 -13.834 3.207 0.817 1.00 52.34 C ATOM 162 CD1 PHE A 13 -12.687 2.854 0.080 1.00 4.51 C ATOM 163 CD2 PHE A 13 -13.693 3.986 1.983 1.00 50.32 C ATOM 164 CE1 PHE A 13 -11.411 3.261 0.507 1.00 52.44 C ATOM 165 CE2 PHE A 13 -12.418 4.410 2.397 1.00 5.33 C ATOM 166 CZ PHE A 13 -11.277 4.046 1.663 1.00 22.40 C ATOM 0 H PHE A 13 -17.387 1.815 -0.179 1.00 34.30 H new ATOM 0 HA PHE A 13 -14.734 0.935 -0.602 1.00 71.02 H new ATOM 0 HB2 PHE A 13 -15.403 3.266 -0.631 1.00 25.11 H new ATOM 0 HB3 PHE A 13 -15.959 3.173 1.028 1.00 25.11 H new ATOM 0 HD1 PHE A 13 -12.789 2.266 -0.820 1.00 4.51 H new ATOM 0 HD2 PHE A 13 -14.565 4.258 2.559 1.00 50.32 H new ATOM 0 HE1 PHE A 13 -10.535 2.970 -0.054 1.00 52.44 H new ATOM 0 HE2 PHE A 13 -12.315 5.018 3.283 1.00 5.33 H new ATOM 0 HZ PHE A 13 -10.299 4.369 1.987 1.00 22.40 H new ATOM 176 N LYS A 14 -15.614 0.875 2.628 1.00 44.15 N ATOM 177 CA LYS A 14 -15.296 0.129 3.854 1.00 40.32 C ATOM 178 C LYS A 14 -15.773 -1.320 3.800 1.00 61.05 C ATOM 179 O LYS A 14 -15.207 -2.126 4.531 1.00 35.42 O ATOM 180 CB LYS A 14 -15.794 0.844 5.123 1.00 43.43 C ATOM 181 CG LYS A 14 -14.818 1.949 5.576 1.00 14.41 C ATOM 182 CD LYS A 14 -13.645 1.435 6.432 1.00 43.32 C ATOM 183 CE LYS A 14 -14.048 1.022 7.858 1.00 42.15 C ATOM 184 NZ LYS A 14 -14.391 2.159 8.735 1.00 21.01 N ATOM 0 H LYS A 14 -16.251 1.662 2.752 1.00 44.15 H new ATOM 0 HA LYS A 14 -14.208 0.100 3.912 1.00 40.32 H new ATOM 0 HB2 LYS A 14 -16.775 1.280 4.934 1.00 43.43 H new ATOM 0 HB3 LYS A 14 -15.918 0.117 5.925 1.00 43.43 H new ATOM 0 HG2 LYS A 14 -14.419 2.451 4.695 1.00 14.41 H new ATOM 0 HG3 LYS A 14 -15.370 2.696 6.146 1.00 14.41 H new ATOM 0 HD2 LYS A 14 -13.190 0.580 5.932 1.00 43.32 H new ATOM 0 HD3 LYS A 14 -12.883 2.212 6.491 1.00 43.32 H new ATOM 0 HE2 LYS A 14 -14.903 0.348 7.803 1.00 42.15 H new ATOM 0 HE3 LYS A 14 -13.229 0.462 8.309 1.00 42.15 H new ATOM 0 HZ1 LYS A 14 -14.652 1.804 9.677 1.00 21.01 H new ATOM 0 HZ2 LYS A 14 -13.571 2.793 8.818 1.00 21.01 H new ATOM 0 HZ3 LYS A 14 -15.193 2.682 8.328 1.00 21.01 H new ATOM 198 N SER A 15 -16.704 -1.690 2.914 1.00 44.25 N ATOM 199 CA SER A 15 -17.068 -3.089 2.743 1.00 53.51 C ATOM 200 C SER A 15 -15.833 -3.898 2.331 1.00 54.14 C ATOM 201 O SER A 15 -15.704 -5.040 2.774 1.00 74.32 O ATOM 202 CB SER A 15 -18.227 -3.243 1.744 1.00 20.23 C ATOM 203 OG SER A 15 -19.333 -3.932 2.299 1.00 35.41 O ATOM 0 H SER A 15 -17.212 -1.042 2.312 1.00 44.25 H new ATOM 0 HA SER A 15 -17.427 -3.484 3.693 1.00 53.51 H new ATOM 0 HB2 SER A 15 -18.548 -2.256 1.410 1.00 20.23 H new ATOM 0 HB3 SER A 15 -17.874 -3.779 0.863 1.00 20.23 H new ATOM 0 HG SER A 15 -20.044 -4.004 1.628 1.00 35.41 H new ATOM 209 N PHE A 16 -14.909 -3.337 1.538 1.00 32.44 N ATOM 210 CA PHE A 16 -13.634 -3.980 1.237 1.00 22.15 C ATOM 211 C PHE A 16 -12.567 -3.571 2.256 1.00 71.00 C ATOM 212 O PHE A 16 -11.879 -4.430 2.821 1.00 34.31 O ATOM 213 CB PHE A 16 -13.227 -3.713 -0.223 1.00 50.33 C ATOM 214 CG PHE A 16 -12.462 -2.450 -0.588 1.00 43.23 C ATOM 215 CD1 PHE A 16 -11.055 -2.417 -0.501 1.00 63.03 C ATOM 216 CD2 PHE A 16 -13.137 -1.361 -1.165 1.00 64.04 C ATOM 217 CE1 PHE A 16 -10.343 -1.308 -0.994 1.00 33.22 C ATOM 218 CE2 PHE A 16 -12.424 -0.263 -1.677 1.00 72.42 C ATOM 219 CZ PHE A 16 -11.024 -0.232 -1.586 1.00 13.23 C ATOM 0 H PHE A 16 -15.029 -2.428 1.091 1.00 32.44 H new ATOM 0 HA PHE A 16 -13.742 -5.061 1.331 1.00 22.15 H new ATOM 0 HB2 PHE A 16 -12.625 -4.561 -0.550 1.00 50.33 H new ATOM 0 HB3 PHE A 16 -14.140 -3.721 -0.819 1.00 50.33 H new ATOM 0 HD1 PHE A 16 -10.523 -3.244 -0.055 1.00 63.03 H new ATOM 0 HD2 PHE A 16 -14.216 -1.368 -1.216 1.00 64.04 H new ATOM 0 HE1 PHE A 16 -9.266 -1.284 -0.917 1.00 33.22 H new ATOM 0 HE2 PHE A 16 -12.953 0.556 -2.140 1.00 72.42 H new ATOM 0 HZ PHE A 16 -10.473 0.615 -1.969 1.00 13.23 H new ATOM 229 N LEU A 17 -12.440 -2.261 2.488 1.00 72.20 N ATOM 230 CA LEU A 17 -11.337 -1.640 3.208 1.00 72.14 C ATOM 231 C LEU A 17 -11.320 -2.095 4.667 1.00 51.30 C ATOM 232 O LEU A 17 -10.265 -2.424 5.195 1.00 61.24 O ATOM 233 CB LEU A 17 -11.434 -0.101 3.082 1.00 15.14 C ATOM 234 CG LEU A 17 -10.113 0.693 3.152 1.00 54.44 C ATOM 235 CD1 LEU A 17 -9.266 0.372 4.381 1.00 72.40 C ATOM 236 CD2 LEU A 17 -9.261 0.489 1.898 1.00 33.33 C ATOM 0 H LEU A 17 -13.131 -1.584 2.165 1.00 72.20 H new ATOM 0 HA LEU A 17 -10.392 -1.956 2.766 1.00 72.14 H new ATOM 0 HB2 LEU A 17 -11.919 0.131 2.134 1.00 15.14 H new ATOM 0 HB3 LEU A 17 -12.090 0.263 3.873 1.00 15.14 H new ATOM 0 HG LEU A 17 -10.423 1.735 3.225 1.00 54.44 H new ATOM 0 HD11 LEU A 17 -8.354 0.969 4.360 1.00 72.40 H new ATOM 0 HD12 LEU A 17 -9.831 0.605 5.283 1.00 72.40 H new ATOM 0 HD13 LEU A 17 -9.007 -0.687 4.378 1.00 72.40 H new ATOM 0 HD21 LEU A 17 -8.340 1.065 1.986 1.00 33.33 H new ATOM 0 HD22 LEU A 17 -9.019 -0.568 1.790 1.00 33.33 H new ATOM 0 HD23 LEU A 17 -9.816 0.825 1.022 1.00 33.33 H new ATOM 248 N ASP A 18 -12.473 -2.175 5.338 1.00 0.13 N ATOM 249 CA ASP A 18 -12.483 -2.452 6.775 1.00 15.22 C ATOM 250 C ASP A 18 -11.873 -3.807 7.093 1.00 72.34 C ATOM 251 O ASP A 18 -11.061 -3.921 8.007 1.00 31.41 O ATOM 252 CB ASP A 18 -13.884 -2.419 7.377 1.00 12.21 C ATOM 253 CG ASP A 18 -13.740 -2.521 8.897 1.00 72.03 C ATOM 254 OD1 ASP A 18 -13.230 -1.560 9.518 1.00 63.13 O ATOM 255 OD2 ASP A 18 -14.014 -3.598 9.462 1.00 44.40 O ATOM 0 H ASP A 18 -13.395 -2.054 4.918 1.00 0.13 H new ATOM 0 HA ASP A 18 -11.886 -1.655 7.218 1.00 15.22 H new ATOM 0 HB2 ASP A 18 -14.397 -1.497 7.102 1.00 12.21 H new ATOM 0 HB3 ASP A 18 -14.485 -3.244 6.994 1.00 12.21 H new ATOM 260 N LYS A 19 -12.239 -4.832 6.323 1.00 32.01 N ATOM 261 CA LYS A 19 -11.687 -6.165 6.463 1.00 24.24 C ATOM 262 C LYS A 19 -10.203 -6.164 6.123 1.00 40.44 C ATOM 263 O LYS A 19 -9.440 -6.871 6.768 1.00 75.04 O ATOM 264 CB LYS A 19 -12.482 -7.112 5.560 1.00 0.14 C ATOM 265 CG LYS A 19 -13.823 -7.462 6.210 1.00 12.53 C ATOM 266 CD LYS A 19 -14.619 -8.458 5.369 1.00 11.41 C ATOM 267 CE LYS A 19 -15.948 -8.717 6.076 1.00 63.12 C ATOM 268 NZ LYS A 19 -16.784 -9.684 5.347 1.00 11.22 N ATOM 0 H LYS A 19 -12.934 -4.752 5.580 1.00 32.01 H new ATOM 0 HA LYS A 19 -11.772 -6.507 7.494 1.00 24.24 H new ATOM 0 HB2 LYS A 19 -12.651 -6.645 4.590 1.00 0.14 H new ATOM 0 HB3 LYS A 19 -11.909 -8.021 5.380 1.00 0.14 H new ATOM 0 HG2 LYS A 19 -13.648 -7.881 7.201 1.00 12.53 H new ATOM 0 HG3 LYS A 19 -14.408 -6.553 6.347 1.00 12.53 H new ATOM 0 HD2 LYS A 19 -14.791 -8.060 4.369 1.00 11.41 H new ATOM 0 HD3 LYS A 19 -14.062 -9.388 5.251 1.00 11.41 H new ATOM 0 HE2 LYS A 19 -15.756 -9.090 7.082 1.00 63.12 H new ATOM 0 HE3 LYS A 19 -16.490 -7.778 6.183 1.00 63.12 H new ATOM 0 HZ1 LYS A 19 -17.709 -9.766 5.816 1.00 11.22 H new ATOM 0 HZ2 LYS A 19 -16.919 -9.358 4.369 1.00 11.22 H new ATOM 0 HZ3 LYS A 19 -16.316 -10.613 5.341 1.00 11.22 H new ATOM 282 N PHE A 20 -9.781 -5.357 5.148 1.00 72.24 N ATOM 283 CA PHE A 20 -8.375 -5.232 4.784 1.00 23.43 C ATOM 284 C PHE A 20 -7.575 -4.682 5.975 1.00 43.12 C ATOM 285 O PHE A 20 -6.545 -5.258 6.325 1.00 22.13 O ATOM 286 CB PHE A 20 -8.265 -4.393 3.498 1.00 72.33 C ATOM 287 CG PHE A 20 -6.872 -4.021 3.038 1.00 42.14 C ATOM 288 CD1 PHE A 20 -6.182 -2.971 3.671 1.00 12.42 C ATOM 289 CD2 PHE A 20 -6.305 -4.637 1.907 1.00 61.40 C ATOM 290 CE1 PHE A 20 -4.936 -2.541 3.194 1.00 41.31 C ATOM 291 CE2 PHE A 20 -5.057 -4.203 1.427 1.00 73.21 C ATOM 292 CZ PHE A 20 -4.374 -3.157 2.067 1.00 14.41 C ATOM 0 H PHE A 20 -10.406 -4.774 4.591 1.00 72.24 H new ATOM 0 HA PHE A 20 -7.933 -6.203 4.559 1.00 23.43 H new ATOM 0 HB2 PHE A 20 -8.753 -4.942 2.692 1.00 72.33 H new ATOM 0 HB3 PHE A 20 -8.831 -3.473 3.644 1.00 72.33 H new ATOM 0 HD1 PHE A 20 -6.617 -2.491 4.535 1.00 12.42 H new ATOM 0 HD2 PHE A 20 -6.827 -5.441 1.409 1.00 61.40 H new ATOM 0 HE1 PHE A 20 -4.412 -1.739 3.692 1.00 41.31 H new ATOM 0 HE2 PHE A 20 -4.621 -4.677 0.560 1.00 73.21 H new ATOM 0 HZ PHE A 20 -3.417 -2.827 1.692 1.00 14.41 H new ATOM 302 N THR A 21 -8.030 -3.607 6.628 1.00 3.15 N ATOM 303 CA THR A 21 -7.316 -3.052 7.778 1.00 2.41 C ATOM 304 C THR A 21 -7.510 -3.899 9.044 1.00 71.32 C ATOM 305 O THR A 21 -6.634 -3.908 9.902 1.00 64.22 O ATOM 306 CB THR A 21 -7.692 -1.568 7.978 1.00 60.44 C ATOM 307 OG1 THR A 21 -9.091 -1.335 7.938 1.00 11.43 O ATOM 308 CG2 THR A 21 -7.095 -0.726 6.846 1.00 60.20 C ATOM 0 H THR A 21 -8.884 -3.108 6.380 1.00 3.15 H new ATOM 0 HA THR A 21 -6.247 -3.090 7.569 1.00 2.41 H new ATOM 0 HB THR A 21 -7.305 -1.297 8.960 1.00 60.44 H new ATOM 0 HG1 THR A 21 -9.567 -2.183 8.059 1.00 11.43 H new ATOM 0 HG21 THR A 21 -7.363 0.321 6.991 1.00 60.20 H new ATOM 0 HG22 THR A 21 -6.010 -0.827 6.851 1.00 60.20 H new ATOM 0 HG23 THR A 21 -7.487 -1.072 5.890 1.00 60.20 H new ATOM 316 N SER A 22 -8.627 -4.627 9.170 1.00 51.33 N ATOM 317 CA SER A 22 -8.917 -5.412 10.363 1.00 63.03 C ATOM 318 C SER A 22 -8.193 -6.761 10.345 1.00 11.34 C ATOM 319 O SER A 22 -8.100 -7.366 11.416 1.00 73.23 O ATOM 320 CB SER A 22 -10.433 -5.631 10.491 1.00 24.23 C ATOM 321 OG SER A 22 -10.805 -6.129 11.765 1.00 73.43 O ATOM 0 H SER A 22 -9.347 -4.684 8.450 1.00 51.33 H new ATOM 0 HA SER A 22 -8.554 -4.852 11.225 1.00 63.03 H new ATOM 0 HB2 SER A 22 -10.949 -4.689 10.308 1.00 24.23 H new ATOM 0 HB3 SER A 22 -10.762 -6.329 9.721 1.00 24.23 H new ATOM 0 HG SER A 22 -10.089 -6.699 12.115 1.00 73.43 H new ATOM 327 N SER A 23 -7.755 -7.249 9.177 1.00 11.23 N ATOM 328 CA SER A 23 -7.287 -8.611 8.997 1.00 60.14 C ATOM 329 C SER A 23 -6.216 -8.698 7.918 1.00 11.35 C ATOM 330 O SER A 23 -6.503 -8.577 6.725 1.00 53.54 O ATOM 331 CB SER A 23 -8.460 -9.525 8.630 1.00 71.41 C ATOM 332 OG SER A 23 -9.304 -9.707 9.748 1.00 34.22 O ATOM 0 H SER A 23 -7.719 -6.692 8.323 1.00 11.23 H new ATOM 0 HA SER A 23 -6.847 -8.936 9.940 1.00 60.14 H new ATOM 0 HB2 SER A 23 -9.025 -9.091 7.805 1.00 71.41 H new ATOM 0 HB3 SER A 23 -8.086 -10.489 8.287 1.00 71.41 H new ATOM 0 HG SER A 23 -8.843 -10.249 10.421 1.00 34.22 H new ATOM 338 N ALA A 24 -4.990 -8.993 8.345 1.00 55.53 N ATOM 339 CA ALA A 24 -3.846 -9.275 7.500 1.00 64.30 C ATOM 340 C ALA A 24 -4.181 -10.271 6.385 1.00 63.42 C ATOM 341 O ALA A 24 -3.865 -10.019 5.220 1.00 60.01 O ATOM 342 CB ALA A 24 -2.723 -9.812 8.389 1.00 52.31 C ATOM 0 H ALA A 24 -4.763 -9.043 9.338 1.00 55.53 H new ATOM 0 HA ALA A 24 -3.534 -8.356 7.003 1.00 64.30 H new ATOM 0 HB1 ALA A 24 -1.848 -10.033 7.777 1.00 52.31 H new ATOM 0 HB2 ALA A 24 -2.462 -9.064 9.138 1.00 52.31 H new ATOM 0 HB3 ALA A 24 -3.057 -10.723 8.887 1.00 52.31 H new ATOM 348 N ALA A 25 -4.860 -11.381 6.706 1.00 24.23 N ATOM 349 CA ALA A 25 -5.153 -12.447 5.746 1.00 54.42 C ATOM 350 C ALA A 25 -5.935 -11.952 4.518 1.00 33.11 C ATOM 351 O ALA A 25 -5.800 -12.515 3.423 1.00 33.12 O ATOM 352 CB ALA A 25 -5.934 -13.570 6.435 1.00 12.53 C ATOM 0 H ALA A 25 -5.221 -11.563 7.642 1.00 24.23 H new ATOM 0 HA ALA A 25 -4.193 -12.818 5.386 1.00 54.42 H new ATOM 0 HB1 ALA A 25 -6.148 -14.359 5.714 1.00 12.53 H new ATOM 0 HB2 ALA A 25 -5.340 -13.977 7.253 1.00 12.53 H new ATOM 0 HB3 ALA A 25 -6.870 -13.174 6.828 1.00 12.53 H new ATOM 358 N PHE A 26 -6.738 -10.898 4.691 1.00 1.35 N ATOM 359 CA PHE A 26 -7.566 -10.312 3.644 1.00 20.24 C ATOM 360 C PHE A 26 -6.719 -9.514 2.654 1.00 74.31 C ATOM 361 O PHE A 26 -7.029 -9.493 1.460 1.00 24.05 O ATOM 362 CB PHE A 26 -8.675 -9.423 4.233 1.00 12.52 C ATOM 363 CG PHE A 26 -10.030 -10.099 4.275 1.00 32.02 C ATOM 364 CD1 PHE A 26 -10.760 -10.271 3.083 1.00 52.24 C ATOM 365 CD2 PHE A 26 -10.570 -10.555 5.493 1.00 44.33 C ATOM 366 CE1 PHE A 26 -12.029 -10.875 3.114 1.00 33.05 C ATOM 367 CE2 PHE A 26 -11.837 -11.159 5.520 1.00 62.40 C ATOM 368 CZ PHE A 26 -12.567 -11.320 4.332 1.00 3.32 C ATOM 0 H PHE A 26 -6.829 -10.420 5.587 1.00 1.35 H new ATOM 0 HA PHE A 26 -8.040 -11.136 3.110 1.00 20.24 H new ATOM 0 HB2 PHE A 26 -8.394 -9.126 5.243 1.00 12.52 H new ATOM 0 HB3 PHE A 26 -8.751 -8.510 3.642 1.00 12.52 H new ATOM 0 HD1 PHE A 26 -10.344 -9.938 2.143 1.00 52.24 H new ATOM 0 HD2 PHE A 26 -10.008 -10.440 6.408 1.00 44.33 H new ATOM 0 HE1 PHE A 26 -12.591 -10.997 2.200 1.00 33.05 H new ATOM 0 HE2 PHE A 26 -12.251 -11.501 6.457 1.00 62.40 H new ATOM 0 HZ PHE A 26 -13.541 -11.786 4.355 1.00 3.32 H new ATOM 378 N GLN A 27 -5.641 -8.875 3.117 1.00 20.01 N ATOM 379 CA GLN A 27 -4.820 -8.005 2.281 1.00 32.01 C ATOM 380 C GLN A 27 -4.195 -8.777 1.119 1.00 44.40 C ATOM 381 O GLN A 27 -4.000 -8.238 0.031 1.00 33.33 O ATOM 382 CB GLN A 27 -3.734 -7.309 3.108 1.00 35.45 C ATOM 383 CG GLN A 27 -4.304 -6.529 4.302 1.00 32.25 C ATOM 384 CD GLN A 27 -3.305 -5.555 4.922 1.00 73.14 C ATOM 385 OE1 GLN A 27 -2.207 -5.350 4.405 1.00 63.43 O ATOM 386 NE2 GLN A 27 -3.693 -4.959 6.033 1.00 51.52 N ATOM 0 H GLN A 27 -5.316 -8.948 4.081 1.00 20.01 H new ATOM 0 HA GLN A 27 -5.476 -7.241 1.865 1.00 32.01 H new ATOM 0 HB2 GLN A 27 -3.026 -8.054 3.471 1.00 35.45 H new ATOM 0 HB3 GLN A 27 -3.177 -6.626 2.467 1.00 35.45 H new ATOM 0 HG2 GLN A 27 -5.186 -5.976 3.978 1.00 32.25 H new ATOM 0 HG3 GLN A 27 -4.633 -7.235 5.064 1.00 32.25 H new ATOM 0 HE21 GLN A 27 -4.613 -5.160 6.425 1.00 51.52 H new ATOM 0 HE22 GLN A 27 -3.073 -4.297 6.500 1.00 51.52 H new ATOM 395 N TYR A 28 -3.939 -10.067 1.302 1.00 31.23 N ATOM 396 CA TYR A 28 -3.364 -10.924 0.276 1.00 0.44 C ATOM 397 C TYR A 28 -4.360 -11.338 -0.807 1.00 20.03 C ATOM 398 O TYR A 28 -3.938 -11.955 -1.790 1.00 74.41 O ATOM 399 CB TYR A 28 -2.779 -12.159 0.958 1.00 3.55 C ATOM 400 CG TYR A 28 -1.693 -11.773 1.930 1.00 55.23 C ATOM 401 CD1 TYR A 28 -0.437 -11.386 1.431 1.00 73.42 C ATOM 402 CD2 TYR A 28 -1.967 -11.698 3.308 1.00 54.11 C ATOM 403 CE1 TYR A 28 0.568 -10.973 2.311 1.00 72.01 C ATOM 404 CE2 TYR A 28 -0.945 -11.311 4.197 1.00 55.10 C ATOM 405 CZ TYR A 28 0.332 -10.954 3.702 1.00 73.14 C ATOM 406 OH TYR A 28 1.341 -10.612 4.550 1.00 20.12 O ATOM 0 H TYR A 28 -4.128 -10.552 2.179 1.00 31.23 H new ATOM 0 HA TYR A 28 -2.592 -10.353 -0.240 1.00 0.44 H new ATOM 0 HB2 TYR A 28 -3.568 -12.697 1.483 1.00 3.55 H new ATOM 0 HB3 TYR A 28 -2.376 -12.838 0.206 1.00 3.55 H new ATOM 0 HD1 TYR A 28 -0.248 -11.408 0.368 1.00 73.42 H new ATOM 0 HD2 TYR A 28 -2.952 -11.935 3.681 1.00 54.11 H new ATOM 0 HE1 TYR A 28 1.529 -10.667 1.924 1.00 72.01 H new ATOM 0 HE2 TYR A 28 -1.137 -11.287 5.260 1.00 55.10 H new ATOM 0 HH TYR A 28 1.017 -10.646 5.474 1.00 20.12 H new ATOM 416 N THR A 29 -5.657 -11.048 -0.664 1.00 74.02 N ATOM 417 CA THR A 29 -6.716 -11.592 -1.518 1.00 55.30 C ATOM 418 C THR A 29 -7.631 -10.494 -2.089 1.00 52.23 C ATOM 419 O THR A 29 -8.772 -10.766 -2.484 1.00 10.32 O ATOM 420 CB THR A 29 -7.412 -12.746 -0.770 1.00 33.32 C ATOM 421 OG1 THR A 29 -8.245 -13.496 -1.632 1.00 1.53 O ATOM 422 CG2 THR A 29 -8.118 -12.332 0.519 1.00 11.41 C ATOM 0 H THR A 29 -6.005 -10.419 0.060 1.00 74.02 H new ATOM 0 HA THR A 29 -6.296 -12.029 -2.424 1.00 55.30 H new ATOM 0 HB THR A 29 -6.608 -13.402 -0.434 1.00 33.32 H new ATOM 0 HG1 THR A 29 -8.729 -12.888 -2.230 1.00 1.53 H new ATOM 0 HG21 THR A 29 -8.579 -13.206 0.978 1.00 11.41 H new ATOM 0 HG22 THR A 29 -7.393 -11.900 1.209 1.00 11.41 H new ATOM 0 HG23 THR A 29 -8.887 -11.593 0.292 1.00 11.41 H new ATOM 430 N ARG A 30 -7.145 -9.250 -2.155 1.00 53.53 N ATOM 431 CA ARG A 30 -7.871 -8.122 -2.721 1.00 43.42 C ATOM 432 C ARG A 30 -6.950 -7.215 -3.536 1.00 2.25 C ATOM 433 O ARG A 30 -7.172 -6.018 -3.570 1.00 10.44 O ATOM 434 CB ARG A 30 -8.636 -7.388 -1.588 1.00 52.22 C ATOM 435 CG ARG A 30 -10.120 -7.380 -1.936 1.00 34.31 C ATOM 436 CD ARG A 30 -10.987 -6.700 -0.884 1.00 34.12 C ATOM 437 NE ARG A 30 -12.424 -6.972 -1.117 1.00 64.33 N ATOM 438 CZ ARG A 30 -13.126 -8.006 -0.634 1.00 54.24 C ATOM 439 NH1 ARG A 30 -12.598 -8.797 0.292 1.00 12.34 N ATOM 440 NH2 ARG A 30 -14.357 -8.250 -1.068 1.00 15.45 N ATOM 0 H ARG A 30 -6.219 -9.001 -1.809 1.00 53.53 H new ATOM 0 HA ARG A 30 -8.613 -8.478 -3.435 1.00 43.42 H new ATOM 0 HB2 ARG A 30 -8.473 -7.889 -0.634 1.00 52.22 H new ATOM 0 HB3 ARG A 30 -8.266 -6.368 -1.480 1.00 52.22 H new ATOM 0 HG2 ARG A 30 -10.258 -6.874 -2.892 1.00 34.31 H new ATOM 0 HG3 ARG A 30 -10.460 -8.407 -2.067 1.00 34.31 H new ATOM 0 HD2 ARG A 30 -10.704 -7.052 0.108 1.00 34.12 H new ATOM 0 HD3 ARG A 30 -10.810 -5.625 -0.903 1.00 34.12 H new ATOM 0 HE ARG A 30 -12.929 -6.307 -1.703 1.00 64.33 H new ATOM 0 HH11 ARG A 30 -11.655 -8.618 0.638 1.00 12.34 H new ATOM 0 HH12 ARG A 30 -13.135 -9.583 0.658 1.00 12.34 H new ATOM 0 HH21 ARG A 30 -14.777 -7.648 -1.776 1.00 15.45 H new ATOM 0 HH22 ARG A 30 -14.883 -9.040 -0.694 1.00 15.45 H new ATOM 454 N VAL A 31 -5.897 -7.715 -4.178 1.00 41.43 N ATOM 455 CA VAL A 31 -4.928 -6.899 -4.909 1.00 31.51 C ATOM 456 C VAL A 31 -4.537 -7.556 -6.227 1.00 72.51 C ATOM 457 O VAL A 31 -4.252 -8.756 -6.298 1.00 54.44 O ATOM 458 CB VAL A 31 -3.769 -6.500 -3.979 1.00 61.23 C ATOM 459 CG1 VAL A 31 -3.243 -7.623 -3.102 1.00 70.42 C ATOM 460 CG2 VAL A 31 -2.601 -5.852 -4.735 1.00 30.12 C ATOM 0 H VAL A 31 -5.689 -8.713 -4.206 1.00 41.43 H new ATOM 0 HA VAL A 31 -5.377 -5.955 -5.218 1.00 31.51 H new ATOM 0 HB VAL A 31 -4.221 -5.763 -3.315 1.00 61.23 H new ATOM 0 HG11 VAL A 31 -2.429 -7.249 -2.481 1.00 70.42 H new ATOM 0 HG12 VAL A 31 -4.046 -7.993 -2.464 1.00 70.42 H new ATOM 0 HG13 VAL A 31 -2.877 -8.435 -3.731 1.00 70.42 H new ATOM 0 HG21 VAL A 31 -1.812 -5.591 -4.030 1.00 30.12 H new ATOM 0 HG22 VAL A 31 -2.211 -6.553 -5.473 1.00 30.12 H new ATOM 0 HG23 VAL A 31 -2.950 -4.951 -5.240 1.00 30.12 H new ATOM 470 N LYS A 32 -4.608 -6.748 -7.281 1.00 24.13 N ATOM 471 CA LYS A 32 -4.348 -7.103 -8.659 1.00 43.23 C ATOM 472 C LYS A 32 -2.887 -6.820 -8.970 1.00 24.54 C ATOM 473 O LYS A 32 -2.204 -6.142 -8.207 1.00 23.43 O ATOM 474 CB LYS A 32 -5.274 -6.247 -9.542 1.00 74.20 C ATOM 475 CG LYS A 32 -6.522 -7.016 -9.975 1.00 25.14 C ATOM 476 CD LYS A 32 -6.184 -7.963 -11.128 1.00 45.01 C ATOM 477 CE LYS A 32 -7.401 -8.787 -11.527 1.00 62.31 C ATOM 478 NZ LYS A 32 -7.205 -9.487 -12.807 1.00 45.11 N ATOM 0 H LYS A 32 -4.866 -5.766 -7.181 1.00 24.13 H new ATOM 0 HA LYS A 32 -4.540 -8.160 -8.846 1.00 43.23 H new ATOM 0 HB2 LYS A 32 -5.571 -5.352 -8.995 1.00 74.20 H new ATOM 0 HB3 LYS A 32 -4.728 -5.915 -10.425 1.00 74.20 H new ATOM 0 HG2 LYS A 32 -6.919 -7.583 -9.133 1.00 25.14 H new ATOM 0 HG3 LYS A 32 -7.300 -6.318 -10.284 1.00 25.14 H new ATOM 0 HD2 LYS A 32 -5.832 -7.389 -11.985 1.00 45.01 H new ATOM 0 HD3 LYS A 32 -5.371 -8.626 -10.833 1.00 45.01 H new ATOM 0 HE2 LYS A 32 -7.616 -9.516 -10.746 1.00 62.31 H new ATOM 0 HE3 LYS A 32 -8.271 -8.134 -11.602 1.00 62.31 H new ATOM 0 HZ1 LYS A 32 -8.059 -10.034 -13.038 1.00 45.11 H new ATOM 0 HZ2 LYS A 32 -7.026 -8.791 -13.559 1.00 45.11 H new ATOM 0 HZ3 LYS A 32 -6.392 -10.130 -12.730 1.00 45.11 H new ATOM 492 N PHE A 33 -2.408 -7.349 -10.092 1.00 33.13 N ATOM 493 CA PHE A 33 -1.044 -7.169 -10.558 1.00 32.45 C ATOM 494 C PHE A 33 -1.062 -7.088 -12.090 1.00 11.41 C ATOM 495 O PHE A 33 -2.041 -7.542 -12.694 1.00 31.24 O ATOM 496 CB PHE A 33 -0.184 -8.335 -10.040 1.00 63.11 C ATOM 497 CG PHE A 33 0.072 -8.245 -8.549 1.00 53.40 C ATOM 498 CD1 PHE A 33 1.091 -7.403 -8.070 1.00 12.04 C ATOM 499 CD2 PHE A 33 -0.781 -8.890 -7.633 1.00 50.04 C ATOM 500 CE1 PHE A 33 1.285 -7.236 -6.690 1.00 41.00 C ATOM 501 CE2 PHE A 33 -0.619 -8.678 -6.253 1.00 63.20 C ATOM 502 CZ PHE A 33 0.425 -7.867 -5.778 1.00 11.14 C ATOM 0 H PHE A 33 -2.973 -7.927 -10.714 1.00 33.13 H new ATOM 0 HA PHE A 33 -0.607 -6.245 -10.178 1.00 32.45 H new ATOM 0 HB2 PHE A 33 -0.682 -9.278 -10.264 1.00 63.11 H new ATOM 0 HB3 PHE A 33 0.769 -8.344 -10.570 1.00 63.11 H new ATOM 0 HD1 PHE A 33 1.729 -6.881 -8.768 1.00 12.04 H new ATOM 0 HD2 PHE A 33 -1.560 -9.547 -7.991 1.00 50.04 H new ATOM 0 HE1 PHE A 33 2.097 -6.621 -6.330 1.00 41.00 H new ATOM 0 HE2 PHE A 33 -1.300 -9.141 -5.555 1.00 63.20 H new ATOM 0 HZ PHE A 33 0.565 -7.730 -4.716 1.00 11.14 H new ATOM 512 N PRO A 34 -0.014 -6.549 -12.740 1.00 23.21 N ATOM 513 CA PRO A 34 1.108 -5.838 -12.127 1.00 65.34 C ATOM 514 C PRO A 34 0.646 -4.539 -11.456 1.00 30.23 C ATOM 515 O PRO A 34 -0.391 -3.991 -11.833 1.00 13.35 O ATOM 516 CB PRO A 34 2.073 -5.560 -13.282 1.00 42.21 C ATOM 517 CG PRO A 34 1.154 -5.441 -14.489 1.00 2.41 C ATOM 518 CD PRO A 34 0.067 -6.469 -14.191 1.00 30.55 C ATOM 0 HA PRO A 34 1.579 -6.422 -11.336 1.00 65.34 H new ATOM 0 HB2 PRO A 34 2.642 -4.645 -13.119 1.00 42.21 H new ATOM 0 HB3 PRO A 34 2.795 -6.367 -13.405 1.00 42.21 H new ATOM 0 HG2 PRO A 34 0.744 -4.436 -14.587 1.00 2.41 H new ATOM 0 HG3 PRO A 34 1.677 -5.664 -15.419 1.00 2.41 H new ATOM 0 HD2 PRO A 34 -0.888 -6.165 -14.620 1.00 30.55 H new ATOM 0 HD3 PRO A 34 0.316 -7.438 -14.623 1.00 30.55 H new ATOM 526 N LEU A 35 1.395 -4.079 -10.448 1.00 5.13 N ATOM 527 CA LEU A 35 1.157 -2.776 -9.830 1.00 34.45 C ATOM 528 C LEU A 35 1.852 -1.692 -10.647 1.00 71.31 C ATOM 529 O LEU A 35 2.616 -1.989 -11.575 1.00 72.43 O ATOM 530 CB LEU A 35 1.679 -2.764 -8.389 1.00 41.43 C ATOM 531 CG LEU A 35 0.986 -3.764 -7.451 1.00 63.34 C ATOM 532 CD1 LEU A 35 1.661 -3.668 -6.092 1.00 21.15 C ATOM 533 CD2 LEU A 35 -0.518 -3.582 -7.260 1.00 22.15 C ATOM 0 H LEU A 35 2.175 -4.596 -10.043 1.00 5.13 H new ATOM 0 HA LEU A 35 0.084 -2.583 -9.809 1.00 34.45 H new ATOM 0 HB2 LEU A 35 2.748 -2.978 -8.402 1.00 41.43 H new ATOM 0 HB3 LEU A 35 1.560 -1.760 -7.981 1.00 41.43 H new ATOM 0 HG LEU A 35 1.091 -4.738 -7.928 1.00 63.34 H new ATOM 0 HD11 LEU A 35 1.190 -4.368 -5.402 1.00 21.15 H new ATOM 0 HD12 LEU A 35 2.718 -3.913 -6.193 1.00 21.15 H new ATOM 0 HD13 LEU A 35 1.559 -2.654 -5.706 1.00 21.15 H new ATOM 0 HD21 LEU A 35 -0.893 -4.345 -6.578 1.00 22.15 H new ATOM 0 HD22 LEU A 35 -0.715 -2.594 -6.843 1.00 22.15 H new ATOM 0 HD23 LEU A 35 -1.021 -3.676 -8.222 1.00 22.15 H new ATOM 545 N LYS A 36 1.587 -0.432 -10.313 1.00 3.32 N ATOM 546 CA LYS A 36 2.111 0.697 -11.102 1.00 42.41 C ATOM 547 C LYS A 36 3.526 1.069 -10.706 1.00 34.53 C ATOM 548 O LYS A 36 4.332 1.337 -11.592 1.00 13.42 O ATOM 549 CB LYS A 36 1.268 1.975 -10.999 1.00 41.03 C ATOM 550 CG LYS A 36 -0.232 1.758 -10.921 1.00 42.11 C ATOM 551 CD LYS A 36 -0.799 1.124 -12.197 1.00 1.03 C ATOM 552 CE LYS A 36 -2.271 0.826 -11.937 1.00 4.04 C ATOM 553 NZ LYS A 36 -3.099 0.954 -13.151 1.00 34.43 N ATOM 0 H LYS A 36 1.019 -0.161 -9.511 1.00 3.32 H new ATOM 0 HA LYS A 36 2.077 0.327 -12.127 1.00 42.41 H new ATOM 0 HB2 LYS A 36 1.585 2.529 -10.115 1.00 41.03 H new ATOM 0 HB3 LYS A 36 1.483 2.603 -11.863 1.00 41.03 H new ATOM 0 HG2 LYS A 36 -0.460 1.118 -10.069 1.00 42.11 H new ATOM 0 HG3 LYS A 36 -0.726 2.713 -10.743 1.00 42.11 H new ATOM 0 HD2 LYS A 36 -0.687 1.800 -13.045 1.00 1.03 H new ATOM 0 HD3 LYS A 36 -0.259 0.210 -12.445 1.00 1.03 H new ATOM 0 HE2 LYS A 36 -2.369 -0.184 -11.540 1.00 4.04 H new ATOM 0 HE3 LYS A 36 -2.646 1.506 -11.173 1.00 4.04 H new ATOM 0 HZ1 LYS A 36 -4.090 0.741 -12.919 1.00 34.43 H new ATOM 0 HZ2 LYS A 36 -3.030 1.925 -13.517 1.00 34.43 H new ATOM 0 HZ3 LYS A 36 -2.761 0.286 -13.873 1.00 34.43 H new ATOM 567 N THR A 37 3.812 1.143 -9.412 1.00 74.12 N ATOM 568 CA THR A 37 5.067 1.647 -8.856 1.00 51.00 C ATOM 569 C THR A 37 5.988 0.470 -8.507 1.00 45.33 C ATOM 570 O THR A 37 5.864 -0.076 -7.407 1.00 62.24 O ATOM 571 CB THR A 37 4.775 2.549 -7.644 1.00 3.04 C ATOM 572 OG1 THR A 37 3.977 1.867 -6.698 1.00 64.54 O ATOM 573 CG2 THR A 37 4.049 3.829 -8.059 1.00 43.10 C ATOM 0 H THR A 37 3.154 0.843 -8.693 1.00 74.12 H new ATOM 0 HA THR A 37 5.588 2.258 -9.594 1.00 51.00 H new ATOM 0 HB THR A 37 5.737 2.811 -7.203 1.00 3.04 H new ATOM 0 HG1 THR A 37 4.304 0.949 -6.595 1.00 64.54 H new ATOM 0 HG21 THR A 37 3.859 4.442 -7.178 1.00 43.10 H new ATOM 0 HG22 THR A 37 4.668 4.387 -8.762 1.00 43.10 H new ATOM 0 HG23 THR A 37 3.102 3.573 -8.533 1.00 43.10 H new ATOM 581 N PRO A 38 6.810 -0.070 -9.426 1.00 1.04 N ATOM 582 CA PRO A 38 7.642 -1.220 -9.104 1.00 45.23 C ATOM 583 C PRO A 38 8.738 -0.843 -8.100 1.00 2.45 C ATOM 584 O PRO A 38 8.993 0.330 -7.827 1.00 31.14 O ATOM 585 CB PRO A 38 8.230 -1.660 -10.448 1.00 65.53 C ATOM 586 CG PRO A 38 8.357 -0.346 -11.216 1.00 70.41 C ATOM 587 CD PRO A 38 7.118 0.418 -10.763 1.00 61.40 C ATOM 0 HA PRO A 38 7.077 -2.022 -8.628 1.00 45.23 H new ATOM 0 HB2 PRO A 38 9.196 -2.150 -10.325 1.00 65.53 H new ATOM 0 HB3 PRO A 38 7.578 -2.366 -10.962 1.00 65.53 H new ATOM 0 HG2 PRO A 38 9.276 0.184 -10.965 1.00 70.41 H new ATOM 0 HG3 PRO A 38 8.365 -0.505 -12.294 1.00 70.41 H new ATOM 0 HD2 PRO A 38 7.304 1.492 -10.753 1.00 61.40 H new ATOM 0 HD3 PRO A 38 6.284 0.246 -11.443 1.00 61.40 H new ATOM 595 N ILE A 39 9.410 -1.876 -7.586 1.00 71.13 N ATOM 596 CA ILE A 39 10.363 -1.789 -6.486 1.00 14.31 C ATOM 597 C ILE A 39 11.476 -0.776 -6.756 1.00 70.24 C ATOM 598 O ILE A 39 11.789 -0.016 -5.856 1.00 30.45 O ATOM 599 CB ILE A 39 10.937 -3.196 -6.204 1.00 5.15 C ATOM 600 CG1 ILE A 39 9.867 -4.220 -5.771 1.00 30.13 C ATOM 601 CG2 ILE A 39 12.101 -3.182 -5.196 1.00 2.42 C ATOM 602 CD1 ILE A 39 9.178 -3.905 -4.443 1.00 45.10 C ATOM 0 H ILE A 39 9.299 -2.827 -7.939 1.00 71.13 H new ATOM 0 HA ILE A 39 9.837 -1.426 -5.603 1.00 14.31 H new ATOM 0 HB ILE A 39 11.332 -3.523 -7.166 1.00 5.15 H new ATOM 0 HG12 ILE A 39 9.109 -4.284 -6.551 1.00 30.13 H new ATOM 0 HG13 ILE A 39 10.333 -5.203 -5.698 1.00 30.13 H new ATOM 0 HG21 ILE A 39 12.460 -4.199 -5.041 1.00 2.42 H new ATOM 0 HG22 ILE A 39 12.912 -2.567 -5.585 1.00 2.42 H new ATOM 0 HG23 ILE A 39 11.756 -2.770 -4.248 1.00 2.42 H new ATOM 0 HD11 ILE A 39 8.443 -4.679 -4.222 1.00 45.10 H new ATOM 0 HD12 ILE A 39 9.921 -3.872 -3.646 1.00 45.10 H new ATOM 0 HD13 ILE A 39 8.678 -2.939 -4.513 1.00 45.10 H new ATOM 614 N THR A 40 12.095 -0.823 -7.939 1.00 5.32 N ATOM 615 CA THR A 40 13.142 0.086 -8.408 1.00 52.14 C ATOM 616 C THR A 40 14.205 0.382 -7.347 1.00 52.31 C ATOM 617 O THR A 40 14.172 1.420 -6.678 1.00 22.41 O ATOM 618 CB THR A 40 12.527 1.336 -9.046 1.00 63.21 C ATOM 619 OG1 THR A 40 11.512 0.895 -9.932 1.00 61.52 O ATOM 620 CG2 THR A 40 13.581 2.096 -9.855 1.00 62.13 C ATOM 0 H THR A 40 11.866 -1.535 -8.632 1.00 5.32 H new ATOM 0 HA THR A 40 13.698 -0.425 -9.194 1.00 52.14 H new ATOM 0 HB THR A 40 12.135 1.997 -8.273 1.00 63.21 H new ATOM 0 HG1 THR A 40 10.695 0.705 -9.425 1.00 61.52 H new ATOM 0 HG21 THR A 40 13.128 2.981 -10.302 1.00 62.13 H new ATOM 0 HG22 THR A 40 14.396 2.398 -9.198 1.00 62.13 H new ATOM 0 HG23 THR A 40 13.970 1.451 -10.643 1.00 62.13 H new ATOM 628 N LEU A 41 15.167 -0.530 -7.212 1.00 11.43 N ATOM 629 CA LEU A 41 16.279 -0.376 -6.285 1.00 23.55 C ATOM 630 C LEU A 41 17.563 -0.046 -7.030 1.00 45.21 C ATOM 631 O LEU A 41 17.687 -0.294 -8.235 1.00 74.53 O ATOM 632 CB LEU A 41 16.430 -1.612 -5.390 1.00 13.35 C ATOM 633 CG LEU A 41 16.465 -2.994 -6.066 1.00 34.35 C ATOM 634 CD1 LEU A 41 17.633 -3.216 -7.024 1.00 21.52 C ATOM 635 CD2 LEU A 41 16.554 -4.040 -4.958 1.00 43.03 C ATOM 0 H LEU A 41 15.194 -1.399 -7.746 1.00 11.43 H new ATOM 0 HA LEU A 41 16.062 0.466 -5.627 1.00 23.55 H new ATOM 0 HB2 LEU A 41 17.349 -1.498 -4.816 1.00 13.35 H new ATOM 0 HB3 LEU A 41 15.606 -1.610 -4.676 1.00 13.35 H new ATOM 0 HG LEU A 41 15.562 -3.070 -6.672 1.00 34.35 H new ATOM 0 HD11 LEU A 41 17.570 -4.218 -7.449 1.00 21.52 H new ATOM 0 HD12 LEU A 41 17.591 -2.478 -7.825 1.00 21.52 H new ATOM 0 HD13 LEU A 41 18.573 -3.111 -6.482 1.00 21.52 H new ATOM 0 HD21 LEU A 41 16.581 -5.036 -5.399 1.00 43.03 H new ATOM 0 HD22 LEU A 41 17.461 -3.877 -4.375 1.00 43.03 H new ATOM 0 HD23 LEU A 41 15.684 -3.955 -4.307 1.00 43.03 H new ATOM 647 N LEU A 42 18.531 0.468 -6.275 1.00 33.14 N ATOM 648 CA LEU A 42 19.867 0.728 -6.775 1.00 4.21 C ATOM 649 C LEU A 42 20.572 -0.597 -7.024 1.00 64.44 C ATOM 650 O LEU A 42 20.632 -1.454 -6.137 1.00 12.31 O ATOM 651 CB LEU A 42 20.675 1.589 -5.781 1.00 1.32 C ATOM 652 CG LEU A 42 21.141 2.934 -6.363 1.00 53.41 C ATOM 653 CD1 LEU A 42 21.996 2.766 -7.625 1.00 73.20 C ATOM 654 CD2 LEU A 42 19.943 3.854 -6.638 1.00 71.22 C ATOM 0 H LEU A 42 18.404 0.715 -5.294 1.00 33.14 H new ATOM 0 HA LEU A 42 19.793 1.285 -7.709 1.00 4.21 H new ATOM 0 HB2 LEU A 42 20.064 1.778 -4.898 1.00 1.32 H new ATOM 0 HB3 LEU A 42 21.547 1.025 -5.451 1.00 1.32 H new ATOM 0 HG LEU A 42 21.776 3.399 -5.609 1.00 53.41 H new ATOM 0 HD11 LEU A 42 22.297 3.747 -7.993 1.00 73.20 H new ATOM 0 HD12 LEU A 42 22.883 2.179 -7.388 1.00 73.20 H new ATOM 0 HD13 LEU A 42 21.416 2.253 -8.392 1.00 73.20 H new ATOM 0 HD21 LEU A 42 20.297 4.799 -7.049 1.00 71.22 H new ATOM 0 HD22 LEU A 42 19.273 3.376 -7.353 1.00 71.22 H new ATOM 0 HD23 LEU A 42 19.407 4.041 -5.708 1.00 71.22 H new ATOM 666 N ALA A 43 21.128 -0.776 -8.218 1.00 10.33 N ATOM 667 CA ALA A 43 22.014 -1.889 -8.488 1.00 30.43 C ATOM 668 C ALA A 43 23.274 -1.794 -7.632 1.00 65.52 C ATOM 669 O ALA A 43 23.641 -0.741 -7.102 1.00 73.22 O ATOM 670 CB ALA A 43 22.383 -1.903 -9.968 1.00 61.23 C ATOM 0 H ALA A 43 20.976 -0.157 -9.014 1.00 10.33 H new ATOM 0 HA ALA A 43 21.500 -2.817 -8.236 1.00 30.43 H new ATOM 0 HB1 ALA A 43 23.050 -2.741 -10.169 1.00 61.23 H new ATOM 0 HB2 ALA A 43 21.479 -2.007 -10.567 1.00 61.23 H new ATOM 0 HB3 ALA A 43 22.885 -0.970 -10.227 1.00 61.23 H new ATOM 676 N ASP A 44 24.003 -2.903 -7.602 1.00 25.44 N ATOM 677 CA ASP A 44 25.326 -2.971 -6.978 1.00 13.04 C ATOM 678 C ASP A 44 26.332 -2.193 -7.833 1.00 2.21 C ATOM 679 O ASP A 44 27.343 -1.699 -7.336 1.00 72.52 O ATOM 680 CB ASP A 44 25.719 -4.439 -6.782 1.00 4.04 C ATOM 681 CG ASP A 44 26.793 -4.668 -5.723 1.00 1.03 C ATOM 682 OD1 ASP A 44 27.971 -4.295 -5.914 1.00 25.12 O ATOM 683 OD2 ASP A 44 26.472 -5.320 -4.703 1.00 70.43 O ATOM 0 H ASP A 44 23.695 -3.786 -8.010 1.00 25.44 H new ATOM 0 HA ASP A 44 25.315 -2.506 -5.992 1.00 13.04 H new ATOM 0 HB2 ASP A 44 24.830 -5.007 -6.509 1.00 4.04 H new ATOM 0 HB3 ASP A 44 26.073 -4.838 -7.733 1.00 4.04 H new ATOM 688 N ASP A 45 25.986 -1.979 -9.106 1.00 33.55 N ATOM 689 CA ASP A 45 26.666 -1.096 -10.042 1.00 45.21 C ATOM 690 C ASP A 45 26.617 0.380 -9.615 1.00 23.54 C ATOM 691 O ASP A 45 27.386 1.184 -10.131 1.00 74.30 O ATOM 692 CB ASP A 45 26.080 -1.280 -11.433 1.00 32.55 C ATOM 693 CG ASP A 45 27.041 -0.837 -12.533 1.00 43.43 C ATOM 694 OD1 ASP A 45 28.115 -1.473 -12.673 1.00 2.34 O ATOM 695 OD2 ASP A 45 26.711 0.078 -13.318 1.00 53.12 O ATOM 0 H ASP A 45 25.182 -2.444 -9.527 1.00 33.55 H new ATOM 0 HA ASP A 45 27.720 -1.373 -10.049 1.00 45.21 H new ATOM 0 HB2 ASP A 45 25.823 -2.329 -11.580 1.00 32.55 H new ATOM 0 HB3 ASP A 45 25.154 -0.711 -11.512 1.00 32.55 H new ATOM 700 N GLY A 46 25.743 0.751 -8.669 1.00 44.32 N ATOM 701 CA GLY A 46 25.726 2.063 -8.027 1.00 61.42 C ATOM 702 C GLY A 46 25.045 3.162 -8.846 1.00 31.31 C ATOM 703 O GLY A 46 24.859 4.268 -8.338 1.00 1.23 O ATOM 0 H GLY A 46 25.012 0.128 -8.324 1.00 44.32 H new ATOM 0 HA2 GLY A 46 25.219 1.977 -7.066 1.00 61.42 H new ATOM 0 HA3 GLY A 46 26.753 2.365 -7.820 1.00 61.42 H new ATOM 707 N GLU A 47 24.629 2.872 -10.080 1.00 5.22 N ATOM 708 CA GLU A 47 23.994 3.825 -10.988 1.00 43.21 C ATOM 709 C GLU A 47 22.730 3.249 -11.630 1.00 25.51 C ATOM 710 O GLU A 47 21.771 3.990 -11.852 1.00 73.20 O ATOM 711 CB GLU A 47 24.997 4.324 -12.045 1.00 25.24 C ATOM 712 CG GLU A 47 25.800 3.183 -12.687 1.00 74.54 C ATOM 713 CD GLU A 47 26.253 3.499 -14.105 1.00 21.11 C ATOM 714 OE1 GLU A 47 25.381 3.512 -15.008 1.00 65.52 O ATOM 715 OE2 GLU A 47 27.468 3.611 -14.360 1.00 21.21 O ATOM 0 H GLU A 47 24.728 1.941 -10.485 1.00 5.22 H new ATOM 0 HA GLU A 47 23.677 4.684 -10.397 1.00 43.21 H new ATOM 0 HB2 GLU A 47 24.459 4.866 -12.823 1.00 25.24 H new ATOM 0 HB3 GLU A 47 25.685 5.031 -11.581 1.00 25.24 H new ATOM 0 HG2 GLU A 47 26.674 2.970 -12.071 1.00 74.54 H new ATOM 0 HG3 GLU A 47 25.191 2.279 -12.699 1.00 74.54 H new ATOM 722 N THR A 48 22.669 1.945 -11.896 1.00 31.55 N ATOM 723 CA THR A 48 21.514 1.353 -12.550 1.00 22.14 C ATOM 724 C THR A 48 20.324 1.339 -11.584 1.00 53.03 C ATOM 725 O THR A 48 20.420 0.783 -10.492 1.00 30.35 O ATOM 726 CB THR A 48 21.847 -0.066 -13.020 1.00 73.13 C ATOM 727 OG1 THR A 48 23.206 -0.218 -13.408 1.00 30.14 O ATOM 728 CG2 THR A 48 20.927 -0.487 -14.160 1.00 3.22 C ATOM 0 H THR A 48 23.409 1.282 -11.666 1.00 31.55 H new ATOM 0 HA THR A 48 21.248 1.949 -13.423 1.00 22.14 H new ATOM 0 HB THR A 48 21.685 -0.719 -12.162 1.00 73.13 H new ATOM 0 HG1 THR A 48 23.362 -1.141 -13.697 1.00 30.14 H new ATOM 0 HG21 THR A 48 21.181 -1.498 -14.478 1.00 3.22 H new ATOM 0 HG22 THR A 48 19.892 -0.463 -13.820 1.00 3.22 H new ATOM 0 HG23 THR A 48 21.049 0.199 -14.998 1.00 3.22 H new ATOM 736 N GLU A 49 19.209 1.943 -11.982 1.00 54.02 N ATOM 737 CA GLU A 49 17.900 1.812 -11.355 1.00 1.01 C ATOM 738 C GLU A 49 17.309 0.512 -11.902 1.00 45.32 C ATOM 739 O GLU A 49 16.958 0.457 -13.087 1.00 72.23 O ATOM 740 CB GLU A 49 17.024 3.027 -11.723 1.00 14.41 C ATOM 741 CG GLU A 49 17.676 4.333 -11.263 1.00 71.31 C ATOM 742 CD GLU A 49 17.069 5.596 -11.877 1.00 52.42 C ATOM 743 OE1 GLU A 49 16.047 6.083 -11.352 1.00 32.31 O ATOM 744 OE2 GLU A 49 17.637 6.182 -12.831 1.00 50.13 O ATOM 0 H GLU A 49 19.194 2.567 -12.789 1.00 54.02 H new ATOM 0 HA GLU A 49 17.960 1.783 -10.267 1.00 1.01 H new ATOM 0 HB2 GLU A 49 16.868 3.054 -12.801 1.00 14.41 H new ATOM 0 HB3 GLU A 49 16.042 2.925 -11.262 1.00 14.41 H new ATOM 0 HG2 GLU A 49 17.600 4.399 -10.178 1.00 71.31 H new ATOM 0 HG3 GLU A 49 18.738 4.300 -11.507 1.00 71.31 H new ATOM 751 N LYS A 50 17.279 -0.555 -11.097 1.00 72.13 N ATOM 752 CA LYS A 50 16.807 -1.872 -11.538 1.00 14.31 C ATOM 753 C LYS A 50 15.473 -2.188 -10.881 1.00 45.04 C ATOM 754 O LYS A 50 15.358 -2.265 -9.656 1.00 24.51 O ATOM 755 CB LYS A 50 17.857 -2.981 -11.329 1.00 41.34 C ATOM 756 CG LYS A 50 19.029 -2.823 -12.321 1.00 65.14 C ATOM 757 CD LYS A 50 19.657 -4.142 -12.803 1.00 3.05 C ATOM 758 CE LYS A 50 20.838 -4.583 -11.934 1.00 62.20 C ATOM 759 NZ LYS A 50 21.466 -5.813 -12.457 1.00 5.12 N ATOM 0 H LYS A 50 17.581 -0.530 -10.123 1.00 72.13 H new ATOM 0 HA LYS A 50 16.651 -1.835 -12.616 1.00 14.31 H new ATOM 0 HB2 LYS A 50 18.233 -2.944 -10.307 1.00 41.34 H new ATOM 0 HB3 LYS A 50 17.392 -3.958 -11.462 1.00 41.34 H new ATOM 0 HG2 LYS A 50 18.677 -2.267 -13.190 1.00 65.14 H new ATOM 0 HG3 LYS A 50 19.805 -2.220 -11.850 1.00 65.14 H new ATOM 0 HD2 LYS A 50 18.897 -4.924 -12.801 1.00 3.05 H new ATOM 0 HD3 LYS A 50 19.992 -4.025 -13.834 1.00 3.05 H new ATOM 0 HE2 LYS A 50 21.579 -3.784 -11.893 1.00 62.20 H new ATOM 0 HE3 LYS A 50 20.496 -4.754 -10.913 1.00 62.20 H new ATOM 0 HZ1 LYS A 50 22.262 -6.084 -11.845 1.00 5.12 H new ATOM 0 HZ2 LYS A 50 20.765 -6.581 -12.473 1.00 5.12 H new ATOM 0 HZ3 LYS A 50 21.814 -5.642 -13.422 1.00 5.12 H new ATOM 773 N THR A 51 14.448 -2.375 -11.707 1.00 25.34 N ATOM 774 CA THR A 51 13.146 -2.857 -11.277 1.00 30.43 C ATOM 775 C THR A 51 13.277 -4.252 -10.664 1.00 24.42 C ATOM 776 O THR A 51 14.154 -5.029 -11.049 1.00 61.23 O ATOM 777 CB THR A 51 12.187 -2.851 -12.477 1.00 52.23 C ATOM 778 OG1 THR A 51 12.824 -3.384 -13.627 1.00 3.22 O ATOM 779 CG2 THR A 51 11.742 -1.421 -12.784 1.00 50.34 C ATOM 0 H THR A 51 14.503 -2.192 -12.709 1.00 25.34 H new ATOM 0 HA THR A 51 12.740 -2.201 -10.507 1.00 30.43 H new ATOM 0 HB THR A 51 11.323 -3.465 -12.223 1.00 52.23 H new ATOM 0 HG1 THR A 51 12.199 -3.374 -14.381 1.00 3.22 H new ATOM 0 HG21 THR A 51 11.062 -1.426 -13.636 1.00 50.34 H new ATOM 0 HG22 THR A 51 11.232 -1.004 -11.916 1.00 50.34 H new ATOM 0 HG23 THR A 51 12.614 -0.811 -13.019 1.00 50.34 H new ATOM 787 N PHE A 52 12.407 -4.577 -9.705 1.00 41.43 N ATOM 788 CA PHE A 52 12.447 -5.802 -8.912 1.00 10.21 C ATOM 789 C PHE A 52 11.007 -6.269 -8.657 1.00 45.41 C ATOM 790 O PHE A 52 10.087 -5.445 -8.743 1.00 64.43 O ATOM 791 CB PHE A 52 13.211 -5.527 -7.598 1.00 72.51 C ATOM 792 CG PHE A 52 14.569 -6.181 -7.554 1.00 65.10 C ATOM 793 CD1 PHE A 52 15.586 -5.740 -8.417 1.00 64.24 C ATOM 794 CD2 PHE A 52 14.812 -7.253 -6.679 1.00 53.20 C ATOM 795 CE1 PHE A 52 16.797 -6.442 -8.491 1.00 45.31 C ATOM 796 CE2 PHE A 52 16.042 -7.921 -6.717 1.00 42.33 C ATOM 797 CZ PHE A 52 17.019 -7.540 -7.647 1.00 33.11 C ATOM 0 H PHE A 52 11.627 -3.970 -9.452 1.00 41.43 H new ATOM 0 HA PHE A 52 12.972 -6.598 -9.440 1.00 10.21 H new ATOM 0 HB2 PHE A 52 13.329 -4.451 -7.472 1.00 72.51 H new ATOM 0 HB3 PHE A 52 12.616 -5.883 -6.757 1.00 72.51 H new ATOM 0 HD1 PHE A 52 15.435 -4.860 -9.024 1.00 64.24 H new ATOM 0 HD2 PHE A 52 14.051 -7.562 -5.978 1.00 53.20 H new ATOM 0 HE1 PHE A 52 17.557 -6.138 -9.196 1.00 45.31 H new ATOM 0 HE2 PHE A 52 16.238 -8.730 -6.029 1.00 42.33 H new ATOM 0 HZ PHE A 52 17.944 -8.093 -7.714 1.00 33.11 H new ATOM 807 N PRO A 53 10.774 -7.555 -8.331 1.00 65.14 N ATOM 808 CA PRO A 53 9.424 -8.086 -8.242 1.00 3.45 C ATOM 809 C PRO A 53 8.693 -7.588 -6.998 1.00 71.41 C ATOM 810 O PRO A 53 9.249 -7.562 -5.897 1.00 41.20 O ATOM 811 CB PRO A 53 9.563 -9.610 -8.249 1.00 65.20 C ATOM 812 CG PRO A 53 10.956 -9.840 -7.675 1.00 53.21 C ATOM 813 CD PRO A 53 11.742 -8.636 -8.200 1.00 71.33 C ATOM 0 HA PRO A 53 8.818 -7.745 -9.081 1.00 3.45 H new ATOM 0 HB2 PRO A 53 8.794 -10.086 -7.641 1.00 65.20 H new ATOM 0 HB3 PRO A 53 9.471 -10.017 -9.256 1.00 65.20 H new ATOM 0 HG2 PRO A 53 10.944 -9.872 -6.586 1.00 53.21 H new ATOM 0 HG3 PRO A 53 11.384 -10.783 -8.017 1.00 53.21 H new ATOM 0 HD2 PRO A 53 12.543 -8.362 -7.513 1.00 71.33 H new ATOM 0 HD3 PRO A 53 12.208 -8.862 -9.159 1.00 71.33 H new ATOM 821 N PHE A 54 7.418 -7.270 -7.203 1.00 43.41 N ATOM 822 CA PHE A 54 6.436 -6.786 -6.241 1.00 74.40 C ATOM 823 C PHE A 54 5.516 -7.952 -5.830 1.00 21.52 C ATOM 824 O PHE A 54 4.289 -7.850 -5.849 1.00 44.42 O ATOM 825 CB PHE A 54 5.745 -5.553 -6.874 1.00 43.40 C ATOM 826 CG PHE A 54 5.384 -5.636 -8.346 1.00 3.43 C ATOM 827 CD1 PHE A 54 4.457 -6.578 -8.826 1.00 24.15 C ATOM 828 CD2 PHE A 54 5.968 -4.721 -9.236 1.00 61.31 C ATOM 829 CE1 PHE A 54 4.135 -6.613 -10.195 1.00 22.33 C ATOM 830 CE2 PHE A 54 5.605 -4.719 -10.592 1.00 61.14 C ATOM 831 CZ PHE A 54 4.712 -5.685 -11.079 1.00 70.54 C ATOM 0 H PHE A 54 7.010 -7.353 -8.134 1.00 43.41 H new ATOM 0 HA PHE A 54 6.869 -6.443 -5.301 1.00 74.40 H new ATOM 0 HB2 PHE A 54 4.832 -5.354 -6.314 1.00 43.40 H new ATOM 0 HB3 PHE A 54 6.399 -4.692 -6.735 1.00 43.40 H new ATOM 0 HD1 PHE A 54 3.992 -7.275 -8.144 1.00 24.15 H new ATOM 0 HD2 PHE A 54 6.701 -4.014 -8.875 1.00 61.31 H new ATOM 0 HE1 PHE A 54 3.443 -7.354 -10.567 1.00 22.33 H new ATOM 0 HE2 PHE A 54 6.013 -3.974 -11.260 1.00 61.14 H new ATOM 0 HZ PHE A 54 4.468 -5.716 -12.131 1.00 70.54 H new ATOM 841 N THR A 55 6.090 -9.125 -5.562 1.00 12.22 N ATOM 842 CA THR A 55 5.372 -10.312 -5.093 1.00 70.32 C ATOM 843 C THR A 55 5.060 -10.216 -3.592 1.00 24.15 C ATOM 844 O THR A 55 5.605 -9.353 -2.902 1.00 2.01 O ATOM 845 CB THR A 55 6.176 -11.566 -5.481 1.00 41.24 C ATOM 846 OG1 THR A 55 7.552 -11.427 -5.171 1.00 71.22 O ATOM 847 CG2 THR A 55 6.072 -11.796 -6.991 1.00 13.12 C ATOM 0 H THR A 55 7.093 -9.281 -5.667 1.00 12.22 H new ATOM 0 HA THR A 55 4.399 -10.382 -5.580 1.00 70.32 H new ATOM 0 HB THR A 55 5.759 -12.400 -4.917 1.00 41.24 H new ATOM 0 HG1 THR A 55 8.030 -12.243 -5.430 1.00 71.22 H new ATOM 0 HG21 THR A 55 6.642 -12.684 -7.264 1.00 13.12 H new ATOM 0 HG22 THR A 55 5.027 -11.937 -7.266 1.00 13.12 H new ATOM 0 HG23 THR A 55 6.473 -10.931 -7.519 1.00 13.12 H new ATOM 855 N LYS A 56 4.197 -11.108 -3.075 1.00 63.14 N ATOM 856 CA LYS A 56 3.625 -11.043 -1.726 1.00 35.11 C ATOM 857 C LYS A 56 4.675 -11.020 -0.619 1.00 0.41 C ATOM 858 O LYS A 56 4.403 -10.542 0.484 1.00 61.44 O ATOM 859 CB LYS A 56 2.716 -12.252 -1.489 1.00 71.40 C ATOM 860 CG LYS A 56 1.505 -12.334 -2.426 1.00 40.34 C ATOM 861 CD LYS A 56 0.600 -13.481 -1.957 1.00 23.11 C ATOM 862 CE LYS A 56 -0.575 -13.778 -2.893 1.00 4.35 C ATOM 863 NZ LYS A 56 -0.136 -14.206 -4.234 1.00 30.21 N ATOM 0 H LYS A 56 3.871 -11.917 -3.603 1.00 63.14 H new ATOM 0 HA LYS A 56 3.071 -10.106 -1.681 1.00 35.11 H new ATOM 0 HB2 LYS A 56 3.307 -13.161 -1.600 1.00 71.40 H new ATOM 0 HB3 LYS A 56 2.361 -12.226 -0.459 1.00 71.40 H new ATOM 0 HG2 LYS A 56 0.956 -11.392 -2.419 1.00 40.34 H new ATOM 0 HG3 LYS A 56 1.831 -12.505 -3.452 1.00 40.34 H new ATOM 0 HD2 LYS A 56 1.202 -14.383 -1.851 1.00 23.11 H new ATOM 0 HD3 LYS A 56 0.210 -13.240 -0.968 1.00 23.11 H new ATOM 0 HE2 LYS A 56 -1.198 -14.557 -2.453 1.00 4.35 H new ATOM 0 HE3 LYS A 56 -1.196 -12.887 -2.985 1.00 4.35 H new ATOM 0 HZ1 LYS A 56 -0.960 -14.524 -4.784 1.00 30.21 H new ATOM 0 HZ2 LYS A 56 0.319 -13.408 -4.721 1.00 30.21 H new ATOM 0 HZ3 LYS A 56 0.543 -14.989 -4.144 1.00 30.21 H new ATOM 877 N GLU A 57 5.878 -11.514 -0.894 1.00 15.02 N ATOM 878 CA GLU A 57 6.970 -11.498 0.066 1.00 54.33 C ATOM 879 C GLU A 57 7.342 -10.050 0.412 1.00 15.32 C ATOM 880 O GLU A 57 7.694 -9.753 1.553 1.00 20.43 O ATOM 881 CB GLU A 57 8.174 -12.265 -0.498 1.00 40.10 C ATOM 882 CG GLU A 57 7.837 -13.627 -1.140 1.00 75.12 C ATOM 883 CD GLU A 57 6.938 -14.522 -0.273 1.00 34.13 C ATOM 884 OE1 GLU A 57 7.460 -15.309 0.547 1.00 72.43 O ATOM 885 OE2 GLU A 57 5.694 -14.479 -0.436 1.00 75.32 O ATOM 0 H GLU A 57 6.121 -11.936 -1.790 1.00 15.02 H new ATOM 0 HA GLU A 57 6.654 -11.993 0.984 1.00 54.33 H new ATOM 0 HB2 GLU A 57 8.666 -11.641 -1.244 1.00 40.10 H new ATOM 0 HB3 GLU A 57 8.892 -12.427 0.306 1.00 40.10 H new ATOM 0 HG2 GLU A 57 7.345 -13.454 -2.097 1.00 75.12 H new ATOM 0 HG3 GLU A 57 8.766 -14.158 -1.350 1.00 75.12 H new ATOM 892 N LYS A 58 7.191 -9.135 -0.552 1.00 15.24 N ATOM 893 CA LYS A 58 7.333 -7.694 -0.389 1.00 40.40 C ATOM 894 C LYS A 58 5.964 -7.021 -0.272 1.00 64.23 C ATOM 895 O LYS A 58 5.828 -5.858 -0.639 1.00 24.53 O ATOM 896 CB LYS A 58 8.122 -7.087 -1.557 1.00 54.20 C ATOM 897 CG LYS A 58 9.460 -7.781 -1.827 1.00 52.41 C ATOM 898 CD LYS A 58 10.375 -6.790 -2.558 1.00 51.10 C ATOM 899 CE LYS A 58 11.641 -7.440 -3.106 1.00 71.23 C ATOM 900 NZ LYS A 58 11.333 -8.371 -4.208 1.00 34.55 N ATOM 0 H LYS A 58 6.956 -9.397 -1.509 1.00 15.24 H new ATOM 0 HA LYS A 58 7.887 -7.516 0.533 1.00 40.40 H new ATOM 0 HB2 LYS A 58 7.511 -7.133 -2.459 1.00 54.20 H new ATOM 0 HB3 LYS A 58 8.306 -6.033 -1.350 1.00 54.20 H new ATOM 0 HG2 LYS A 58 9.918 -8.102 -0.891 1.00 52.41 H new ATOM 0 HG3 LYS A 58 9.309 -8.676 -2.431 1.00 52.41 H new ATOM 0 HD2 LYS A 58 9.823 -6.333 -3.379 1.00 51.10 H new ATOM 0 HD3 LYS A 58 10.652 -5.988 -1.874 1.00 51.10 H new ATOM 0 HE2 LYS A 58 12.324 -6.668 -3.460 1.00 71.23 H new ATOM 0 HE3 LYS A 58 12.152 -7.976 -2.306 1.00 71.23 H new ATOM 0 HZ1 LYS A 58 12.201 -8.574 -4.744 1.00 34.55 H new ATOM 0 HZ2 LYS A 58 10.952 -9.257 -3.818 1.00 34.55 H new ATOM 0 HZ3 LYS A 58 10.629 -7.940 -4.840 1.00 34.55 H new ATOM 914 N TRP A 59 4.936 -7.729 0.191 1.00 13.45 N ATOM 915 CA TRP A 59 3.725 -7.127 0.728 1.00 75.20 C ATOM 916 C TRP A 59 3.915 -7.053 2.249 1.00 62.01 C ATOM 917 O TRP A 59 3.644 -8.048 2.929 1.00 34.34 O ATOM 918 CB TRP A 59 2.463 -7.893 0.297 1.00 61.32 C ATOM 919 CG TRP A 59 1.176 -7.183 0.596 1.00 22.15 C ATOM 920 CD1 TRP A 59 0.515 -7.208 1.778 1.00 1.44 C ATOM 921 CD2 TRP A 59 0.440 -6.250 -0.254 1.00 2.23 C ATOM 922 NE1 TRP A 59 -0.581 -6.366 1.714 1.00 11.13 N ATOM 923 CE2 TRP A 59 -0.684 -5.761 0.479 1.00 41.22 C ATOM 924 CE3 TRP A 59 0.650 -5.702 -1.540 1.00 12.32 C ATOM 925 CZ2 TRP A 59 -1.563 -4.802 -0.051 1.00 24.22 C ATOM 926 CZ3 TRP A 59 -0.222 -4.726 -2.066 1.00 34.53 C ATOM 927 CH2 TRP A 59 -1.328 -4.283 -1.328 1.00 53.40 C ATOM 0 H TRP A 59 4.924 -8.749 0.202 1.00 13.45 H new ATOM 0 HA TRP A 59 3.568 -6.124 0.331 1.00 75.20 H new ATOM 0 HB2 TRP A 59 2.517 -8.085 -0.775 1.00 61.32 H new ATOM 0 HB3 TRP A 59 2.453 -8.863 0.795 1.00 61.32 H new ATOM 0 HD1 TRP A 59 0.800 -7.795 2.639 1.00 1.44 H new ATOM 0 HE1 TRP A 59 -1.232 -6.212 2.484 1.00 11.13 H new ATOM 0 HE3 TRP A 59 1.491 -6.036 -2.129 1.00 12.32 H new ATOM 0 HZ2 TRP A 59 -2.414 -4.468 0.524 1.00 24.22 H new ATOM 0 HZ3 TRP A 59 -0.035 -4.316 -3.048 1.00 34.53 H new ATOM 0 HH2 TRP A 59 -1.996 -3.544 -1.744 1.00 53.40 H new ATOM 938 N PRO A 60 4.535 -5.992 2.799 1.00 31.21 N ATOM 939 CA PRO A 60 4.306 -5.627 4.184 1.00 33.44 C ATOM 940 C PRO A 60 2.814 -5.344 4.334 1.00 34.34 C ATOM 941 O PRO A 60 2.138 -4.945 3.378 1.00 33.01 O ATOM 942 CB PRO A 60 5.147 -4.377 4.456 1.00 3.31 C ATOM 943 CG PRO A 60 5.320 -3.740 3.082 1.00 24.41 C ATOM 944 CD PRO A 60 5.203 -4.909 2.110 1.00 14.32 C ATOM 0 HA PRO A 60 4.588 -6.408 4.891 1.00 33.44 H new ATOM 0 HB2 PRO A 60 4.645 -3.701 5.148 1.00 3.31 H new ATOM 0 HB3 PRO A 60 6.109 -4.632 4.901 1.00 3.31 H new ATOM 0 HG2 PRO A 60 4.555 -2.987 2.893 1.00 24.41 H new ATOM 0 HG3 PRO A 60 6.286 -3.243 2.992 1.00 24.41 H new ATOM 0 HD2 PRO A 60 4.640 -4.615 1.224 1.00 14.32 H new ATOM 0 HD3 PRO A 60 6.190 -5.223 1.770 1.00 14.32 H new ATOM 952 N LEU A 61 2.292 -5.586 5.524 1.00 15.23 N ATOM 953 CA LEU A 61 0.924 -5.227 5.847 1.00 71.34 C ATOM 954 C LEU A 61 0.822 -3.705 5.944 1.00 51.41 C ATOM 955 O LEU A 61 1.838 -3.004 5.997 1.00 35.24 O ATOM 956 CB LEU A 61 0.497 -5.966 7.124 1.00 41.44 C ATOM 957 CG LEU A 61 0.454 -7.493 6.892 1.00 74.40 C ATOM 958 CD1 LEU A 61 0.353 -8.233 8.221 1.00 34.35 C ATOM 959 CD2 LEU A 61 -0.714 -7.908 5.989 1.00 55.31 C ATOM 0 H LEU A 61 2.800 -6.033 6.287 1.00 15.23 H new ATOM 0 HA LEU A 61 0.229 -5.537 5.066 1.00 71.34 H new ATOM 0 HB2 LEU A 61 1.193 -5.737 7.931 1.00 41.44 H new ATOM 0 HB3 LEU A 61 -0.485 -5.615 7.440 1.00 41.44 H new ATOM 0 HG LEU A 61 1.383 -7.763 6.389 1.00 74.40 H new ATOM 0 HD11 LEU A 61 0.324 -9.307 8.038 1.00 34.35 H new ATOM 0 HD12 LEU A 61 1.219 -7.993 8.838 1.00 34.35 H new ATOM 0 HD13 LEU A 61 -0.556 -7.928 8.739 1.00 34.35 H new ATOM 0 HD21 LEU A 61 -0.703 -8.990 5.854 1.00 55.31 H new ATOM 0 HD22 LEU A 61 -1.655 -7.609 6.451 1.00 55.31 H new ATOM 0 HD23 LEU A 61 -0.615 -7.421 5.019 1.00 55.31 H new ATOM 971 N LEU A 62 -0.411 -3.202 5.902 1.00 44.42 N ATOM 972 CA LEU A 62 -0.753 -1.787 6.006 1.00 0.51 C ATOM 973 C LEU A 62 -1.907 -1.672 7.004 1.00 3.12 C ATOM 974 O LEU A 62 -2.643 -2.641 7.212 1.00 12.24 O ATOM 975 CB LEU A 62 -1.164 -1.211 4.634 1.00 31.42 C ATOM 976 CG LEU A 62 -0.172 -1.417 3.467 1.00 15.41 C ATOM 977 CD1 LEU A 62 -0.803 -0.898 2.170 1.00 14.41 C ATOM 978 CD2 LEU A 62 1.174 -0.707 3.640 1.00 21.42 C ATOM 0 H LEU A 62 -1.233 -3.796 5.790 1.00 44.42 H new ATOM 0 HA LEU A 62 0.111 -1.214 6.344 1.00 0.51 H new ATOM 0 HB2 LEU A 62 -2.118 -1.655 4.351 1.00 31.42 H new ATOM 0 HB3 LEU A 62 -1.333 -0.141 4.752 1.00 31.42 H new ATOM 0 HG LEU A 62 0.028 -2.488 3.442 1.00 15.41 H new ATOM 0 HD11 LEU A 62 -0.107 -1.041 1.344 1.00 14.41 H new ATOM 0 HD12 LEU A 62 -1.723 -1.446 1.968 1.00 14.41 H new ATOM 0 HD13 LEU A 62 -1.029 0.163 2.274 1.00 14.41 H new ATOM 0 HD21 LEU A 62 1.805 -0.908 2.774 1.00 21.42 H new ATOM 0 HD22 LEU A 62 1.010 0.367 3.729 1.00 21.42 H new ATOM 0 HD23 LEU A 62 1.666 -1.074 4.541 1.00 21.42 H new ATOM 990 N ASP A 63 -2.104 -0.495 7.587 1.00 32.12 N ATOM 991 CA ASP A 63 -2.909 -0.268 8.784 1.00 73.10 C ATOM 992 C ASP A 63 -4.094 0.640 8.456 1.00 11.34 C ATOM 993 O ASP A 63 -4.192 1.196 7.361 1.00 44.44 O ATOM 994 CB ASP A 63 -2.044 0.394 9.877 1.00 0.43 C ATOM 995 CG ASP A 63 -0.841 -0.404 10.382 1.00 23.04 C ATOM 996 OD1 ASP A 63 0.140 -0.591 9.631 1.00 42.13 O ATOM 997 OD2 ASP A 63 -0.856 -0.764 11.586 1.00 42.41 O ATOM 0 H ASP A 63 -1.690 0.364 7.224 1.00 32.12 H new ATOM 0 HA ASP A 63 -3.281 -1.227 9.144 1.00 73.10 H new ATOM 0 HB2 ASP A 63 -1.682 1.347 9.492 1.00 0.43 H new ATOM 0 HB3 ASP A 63 -2.686 0.617 10.729 1.00 0.43 H new ATOM 1002 N SER A 64 -5.000 0.844 9.423 1.00 71.34 N ATOM 1003 CA SER A 64 -6.068 1.834 9.279 1.00 61.42 C ATOM 1004 C SER A 64 -5.483 3.232 9.061 1.00 13.24 C ATOM 1005 O SER A 64 -6.002 4.016 8.269 1.00 55.12 O ATOM 1006 CB SER A 64 -7.011 1.773 10.490 1.00 0.35 C ATOM 1007 OG SER A 64 -8.293 2.295 10.180 1.00 40.33 O ATOM 0 H SER A 64 -5.012 0.337 10.308 1.00 71.34 H new ATOM 0 HA SER A 64 -6.660 1.600 8.394 1.00 61.42 H new ATOM 0 HB2 SER A 64 -7.109 0.740 10.824 1.00 0.35 H new ATOM 0 HB3 SER A 64 -6.579 2.336 11.317 1.00 0.35 H new ATOM 0 HG SER A 64 -8.869 2.240 10.971 1.00 40.33 H new ATOM 1013 N GLU A 65 -4.382 3.521 9.751 1.00 51.44 N ATOM 1014 CA GLU A 65 -3.663 4.787 9.742 1.00 72.10 C ATOM 1015 C GLU A 65 -3.155 5.101 8.332 1.00 42.44 C ATOM 1016 O GLU A 65 -3.180 6.251 7.885 1.00 35.11 O ATOM 1017 CB GLU A 65 -2.515 4.693 10.762 1.00 40.20 C ATOM 1018 CG GLU A 65 -2.931 4.119 12.131 1.00 60.03 C ATOM 1019 CD GLU A 65 -3.980 4.920 12.913 1.00 61.44 C ATOM 1020 OE1 GLU A 65 -4.563 5.921 12.436 1.00 24.14 O ATOM 1021 OE2 GLU A 65 -4.337 4.460 14.026 1.00 53.42 O ATOM 0 H GLU A 65 -3.944 2.835 10.367 1.00 51.44 H new ATOM 0 HA GLU A 65 -4.323 5.607 10.026 1.00 72.10 H new ATOM 0 HB2 GLU A 65 -1.724 4.070 10.345 1.00 40.20 H new ATOM 0 HB3 GLU A 65 -2.094 5.687 10.910 1.00 40.20 H new ATOM 0 HG2 GLU A 65 -3.315 3.111 11.977 1.00 60.03 H new ATOM 0 HG3 GLU A 65 -2.038 4.029 12.750 1.00 60.03 H new ATOM 1028 N THR A 66 -2.768 4.067 7.588 1.00 71.31 N ATOM 1029 CA THR A 66 -2.294 4.114 6.214 1.00 0.41 C ATOM 1030 C THR A 66 -3.420 4.413 5.208 1.00 40.30 C ATOM 1031 O THR A 66 -3.195 4.359 4.002 1.00 31.43 O ATOM 1032 CB THR A 66 -1.631 2.767 5.887 1.00 11.32 C ATOM 1033 OG1 THR A 66 -1.100 2.134 7.039 1.00 33.32 O ATOM 1034 CG2 THR A 66 -0.503 2.957 4.880 1.00 13.33 C ATOM 0 H THR A 66 -2.779 3.116 7.956 1.00 71.31 H new ATOM 0 HA THR A 66 -1.578 4.931 6.124 1.00 0.41 H new ATOM 0 HB THR A 66 -2.413 2.132 5.470 1.00 11.32 H new ATOM 0 HG1 THR A 66 -0.239 1.722 6.818 1.00 33.32 H new ATOM 0 HG21 THR A 66 -0.045 1.993 4.660 1.00 13.33 H new ATOM 0 HG22 THR A 66 -0.904 3.386 3.962 1.00 13.33 H new ATOM 0 HG23 THR A 66 0.248 3.628 5.297 1.00 13.33 H new ATOM 1042 N MET A 67 -4.640 4.692 5.677 1.00 51.22 N ATOM 1043 CA MET A 67 -5.791 5.059 4.845 1.00 51.53 C ATOM 1044 C MET A 67 -6.442 6.375 5.291 1.00 12.54 C ATOM 1045 O MET A 67 -7.500 6.756 4.782 1.00 34.31 O ATOM 1046 CB MET A 67 -6.787 3.882 4.812 1.00 4.52 C ATOM 1047 CG MET A 67 -7.846 3.975 3.696 1.00 3.55 C ATOM 1048 SD MET A 67 -7.280 4.347 2.009 1.00 73.42 S ATOM 1049 CE MET A 67 -5.873 3.214 1.876 1.00 23.01 C ATOM 0 H MET A 67 -4.861 4.668 6.673 1.00 51.22 H new ATOM 0 HA MET A 67 -5.444 5.248 3.829 1.00 51.53 H new ATOM 0 HB2 MET A 67 -6.229 2.953 4.690 1.00 4.52 H new ATOM 0 HB3 MET A 67 -7.295 3.825 5.775 1.00 4.52 H new ATOM 0 HG2 MET A 67 -8.383 3.027 3.666 1.00 3.55 H new ATOM 0 HG3 MET A 67 -8.566 4.741 3.983 1.00 3.55 H new ATOM 0 HE1 MET A 67 -5.359 3.382 0.929 1.00 23.01 H new ATOM 0 HE2 MET A 67 -5.183 3.393 2.700 1.00 23.01 H new ATOM 0 HE3 MET A 67 -6.229 2.185 1.918 1.00 23.01 H new ATOM 1059 N LYS A 68 -5.854 7.083 6.258 1.00 1.32 N ATOM 1060 CA LYS A 68 -6.444 8.287 6.830 1.00 32.14 C ATOM 1061 C LYS A 68 -5.739 9.497 6.268 1.00 52.32 C ATOM 1062 O LYS A 68 -4.598 9.775 6.631 1.00 53.53 O ATOM 1063 CB LYS A 68 -6.394 8.206 8.356 1.00 23.20 C ATOM 1064 CG LYS A 68 -7.572 7.333 8.812 1.00 21.44 C ATOM 1065 CD LYS A 68 -7.229 6.528 10.060 1.00 31.03 C ATOM 1066 CE LYS A 68 -8.476 5.770 10.520 1.00 75.31 C ATOM 1067 NZ LYS A 68 -8.412 5.419 11.948 1.00 3.14 N ATOM 0 H LYS A 68 -4.953 6.833 6.665 1.00 1.32 H new ATOM 0 HA LYS A 68 -7.496 8.377 6.559 1.00 32.14 H new ATOM 0 HB2 LYS A 68 -5.448 7.776 8.686 1.00 23.20 H new ATOM 0 HB3 LYS A 68 -6.462 9.201 8.795 1.00 23.20 H new ATOM 0 HG2 LYS A 68 -8.437 7.965 9.013 1.00 21.44 H new ATOM 0 HG3 LYS A 68 -7.854 6.654 8.007 1.00 21.44 H new ATOM 0 HD2 LYS A 68 -6.420 5.829 9.847 1.00 31.03 H new ATOM 0 HD3 LYS A 68 -6.878 7.191 10.851 1.00 31.03 H new ATOM 0 HE2 LYS A 68 -9.360 6.381 10.336 1.00 75.31 H new ATOM 0 HE3 LYS A 68 -8.587 4.862 9.928 1.00 75.31 H new ATOM 0 HZ1 LYS A 68 -9.276 4.907 12.219 1.00 3.14 H new ATOM 0 HZ2 LYS A 68 -7.583 4.815 12.120 1.00 3.14 H new ATOM 0 HZ3 LYS A 68 -8.332 6.287 12.516 1.00 3.14 H new ATOM 1081 N GLU A 69 -6.434 10.189 5.370 1.00 43.34 N ATOM 1082 CA GLU A 69 -5.968 11.438 4.784 1.00 11.54 C ATOM 1083 C GLU A 69 -5.869 12.444 5.926 1.00 20.33 C ATOM 1084 O GLU A 69 -6.897 12.850 6.480 1.00 34.33 O ATOM 1085 CB GLU A 69 -6.929 12.001 3.714 1.00 12.52 C ATOM 1086 CG GLU A 69 -7.487 11.033 2.677 1.00 24.00 C ATOM 1087 CD GLU A 69 -6.603 10.457 1.601 1.00 45.52 C ATOM 1088 OE1 GLU A 69 -5.378 10.391 1.800 1.00 44.44 O ATOM 1089 OE2 GLU A 69 -7.202 10.110 0.556 1.00 41.51 O ATOM 0 H GLU A 69 -7.347 9.893 5.026 1.00 43.34 H new ATOM 0 HA GLU A 69 -5.015 11.257 4.286 1.00 11.54 H new ATOM 0 HB2 GLU A 69 -7.772 12.461 4.230 1.00 12.52 H new ATOM 0 HB3 GLU A 69 -6.408 12.797 3.182 1.00 12.52 H new ATOM 0 HG2 GLU A 69 -7.916 10.192 3.223 1.00 24.00 H new ATOM 0 HG3 GLU A 69 -8.311 11.541 2.176 1.00 24.00 H new ATOM 1096 N GLU A 70 -4.673 12.891 6.282 1.00 51.14 N ATOM 1097 CA GLU A 70 -4.458 13.780 7.400 1.00 41.11 C ATOM 1098 C GLU A 70 -3.394 14.817 7.025 1.00 64.42 C ATOM 1099 O GLU A 70 -2.813 14.785 5.937 1.00 63.01 O ATOM 1100 CB GLU A 70 -4.141 12.939 8.641 1.00 33.14 C ATOM 1101 CG GLU A 70 -2.681 12.735 8.996 1.00 53.40 C ATOM 1102 CD GLU A 70 -2.612 11.794 10.188 1.00 41.11 C ATOM 1103 OE1 GLU A 70 -3.103 12.191 11.278 1.00 55.10 O ATOM 1104 OE2 GLU A 70 -2.056 10.684 10.039 1.00 15.34 O ATOM 0 H GLU A 70 -3.816 12.639 5.790 1.00 51.14 H new ATOM 0 HA GLU A 70 -5.349 14.357 7.647 1.00 41.11 H new ATOM 0 HB2 GLU A 70 -4.633 13.403 9.496 1.00 33.14 H new ATOM 0 HB3 GLU A 70 -4.594 11.957 8.506 1.00 33.14 H new ATOM 0 HG2 GLU A 70 -2.138 12.316 8.149 1.00 53.40 H new ATOM 0 HG3 GLU A 70 -2.211 13.689 9.236 1.00 53.40 H new ATOM 1111 N ARG A 71 -3.166 15.785 7.906 1.00 15.42 N ATOM 1112 CA ARG A 71 -2.160 16.812 7.713 1.00 61.02 C ATOM 1113 C ARG A 71 -1.554 17.154 9.069 1.00 42.42 C ATOM 1114 O ARG A 71 -2.089 17.983 9.813 1.00 51.24 O ATOM 1115 CB ARG A 71 -2.790 17.994 6.958 1.00 50.53 C ATOM 1116 CG ARG A 71 -1.792 18.673 6.021 1.00 21.11 C ATOM 1117 CD ARG A 71 -0.793 19.608 6.705 1.00 10.11 C ATOM 1118 NE ARG A 71 -1.479 20.699 7.419 1.00 25.04 N ATOM 1119 CZ ARG A 71 -0.966 21.889 7.744 1.00 32.14 C ATOM 1120 NH1 ARG A 71 0.237 22.268 7.326 1.00 50.12 N ATOM 1121 NH2 ARG A 71 -1.662 22.708 8.516 1.00 53.45 N ATOM 0 H ARG A 71 -3.682 15.876 8.781 1.00 15.42 H new ATOM 0 HA ARG A 71 -1.332 16.477 7.089 1.00 61.02 H new ATOM 0 HB2 ARG A 71 -3.646 17.641 6.382 1.00 50.53 H new ATOM 0 HB3 ARG A 71 -3.167 18.723 7.676 1.00 50.53 H new ATOM 0 HG2 ARG A 71 -1.237 17.902 5.486 1.00 21.11 H new ATOM 0 HG3 ARG A 71 -2.347 19.242 5.275 1.00 21.11 H new ATOM 0 HD2 ARG A 71 -0.182 19.040 7.407 1.00 10.11 H new ATOM 0 HD3 ARG A 71 -0.116 20.027 5.960 1.00 10.11 H new ATOM 0 HE ARG A 71 -2.446 20.528 7.694 1.00 25.04 H new ATOM 0 HH11 ARG A 71 0.794 21.644 6.742 1.00 50.12 H new ATOM 0 HH12 ARG A 71 0.604 23.183 7.590 1.00 50.12 H new ATOM 0 HH21 ARG A 71 -2.582 22.429 8.857 1.00 53.45 H new ATOM 0 HH22 ARG A 71 -1.279 23.619 8.770 1.00 53.45 H new ATOM 1135 N ILE A 72 -0.478 16.458 9.427 1.00 32.34 N ATOM 1136 CA ILE A 72 0.272 16.741 10.643 1.00 14.34 C ATOM 1137 C ILE A 72 1.194 17.909 10.304 1.00 24.03 C ATOM 1138 O ILE A 72 1.799 17.938 9.236 1.00 73.21 O ATOM 1139 CB ILE A 72 1.044 15.498 11.144 1.00 14.55 C ATOM 1140 CG1 ILE A 72 0.143 14.242 11.260 1.00 0.33 C ATOM 1141 CG2 ILE A 72 1.669 15.760 12.525 1.00 40.44 C ATOM 1142 CD1 ILE A 72 0.432 13.237 10.150 1.00 43.11 C ATOM 0 H ILE A 72 -0.103 15.682 8.881 1.00 32.34 H new ATOM 0 HA ILE A 72 -0.390 17.003 11.468 1.00 14.34 H new ATOM 0 HB ILE A 72 1.818 15.310 10.400 1.00 14.55 H new ATOM 0 HG12 ILE A 72 0.301 13.769 12.229 1.00 0.33 H new ATOM 0 HG13 ILE A 72 -0.905 14.540 11.217 1.00 0.33 H new ATOM 0 HG21 ILE A 72 2.206 14.871 12.856 1.00 40.44 H new ATOM 0 HG22 ILE A 72 2.362 16.599 12.458 1.00 40.44 H new ATOM 0 HG23 ILE A 72 0.882 15.996 13.242 1.00 40.44 H new ATOM 0 HD11 ILE A 72 -0.219 12.370 10.265 1.00 43.11 H new ATOM 0 HD12 ILE A 72 0.249 13.702 9.181 1.00 43.11 H new ATOM 0 HD13 ILE A 72 1.473 12.919 10.209 1.00 43.11 H new ATOM 1154 N THR A 73 1.301 18.875 11.206 1.00 12.35 N ATOM 1155 CA THR A 73 2.041 20.110 11.035 1.00 74.40 C ATOM 1156 C THR A 73 2.988 20.214 12.233 1.00 22.45 C ATOM 1157 O THR A 73 2.582 20.578 13.341 1.00 2.32 O ATOM 1158 CB THR A 73 1.002 21.228 10.808 1.00 53.12 C ATOM 1159 OG1 THR A 73 1.586 22.453 10.410 1.00 22.20 O ATOM 1160 CG2 THR A 73 -0.001 21.487 11.943 1.00 31.12 C ATOM 0 H THR A 73 0.851 18.812 12.119 1.00 12.35 H new ATOM 0 HA THR A 73 2.694 20.179 10.165 1.00 74.40 H new ATOM 0 HB THR A 73 0.416 20.808 9.991 1.00 53.12 H new ATOM 0 HG1 THR A 73 0.883 23.123 10.279 1.00 22.20 H new ATOM 0 HG21 THR A 73 -0.674 22.295 11.657 1.00 31.12 H new ATOM 0 HG22 THR A 73 -0.580 20.583 12.131 1.00 31.12 H new ATOM 0 HG23 THR A 73 0.538 21.767 12.848 1.00 31.12 H new ATOM 1168 N GLN A 74 4.226 19.748 12.070 1.00 13.35 N ATOM 1169 CA GLN A 74 5.232 19.740 13.130 1.00 23.21 C ATOM 1170 C GLN A 74 6.176 20.927 12.952 1.00 62.04 C ATOM 1171 O GLN A 74 6.098 21.646 11.954 1.00 31.33 O ATOM 1172 CB GLN A 74 6.011 18.414 13.111 1.00 64.22 C ATOM 1173 CG GLN A 74 5.102 17.178 13.114 1.00 14.53 C ATOM 1174 CD GLN A 74 5.887 15.910 13.364 1.00 35.35 C ATOM 1175 OE1 GLN A 74 6.377 15.676 14.466 1.00 11.23 O ATOM 1176 NE2 GLN A 74 6.003 15.070 12.357 1.00 52.30 N ATOM 0 H GLN A 74 4.562 19.361 11.188 1.00 13.35 H new ATOM 0 HA GLN A 74 4.738 19.830 14.097 1.00 23.21 H new ATOM 0 HB2 GLN A 74 6.647 18.387 12.226 1.00 64.22 H new ATOM 0 HB3 GLN A 74 6.670 18.375 13.979 1.00 64.22 H new ATOM 0 HG2 GLN A 74 4.337 17.290 13.882 1.00 14.53 H new ATOM 0 HG3 GLN A 74 4.585 17.104 12.157 1.00 14.53 H new ATOM 0 HE21 GLN A 74 5.584 15.295 11.455 1.00 52.30 H new ATOM 0 HE22 GLN A 74 6.512 14.194 12.479 1.00 52.30 H new ATOM 1185 N GLU A 75 7.077 21.096 13.913 1.00 52.51 N ATOM 1186 CA GLU A 75 8.180 22.052 13.905 1.00 44.23 C ATOM 1187 C GLU A 75 9.497 21.348 14.268 1.00 62.24 C ATOM 1188 O GLU A 75 10.542 21.989 14.326 1.00 63.44 O ATOM 1189 CB GLU A 75 7.876 23.166 14.915 1.00 71.14 C ATOM 1190 CG GLU A 75 6.728 24.103 14.504 1.00 15.43 C ATOM 1191 CD GLU A 75 7.105 25.136 13.437 1.00 14.31 C ATOM 1192 OE1 GLU A 75 8.089 24.950 12.686 1.00 44.10 O ATOM 1193 OE2 GLU A 75 6.439 26.198 13.394 1.00 11.35 O ATOM 0 H GLU A 75 7.057 20.539 14.767 1.00 52.51 H new ATOM 0 HA GLU A 75 8.287 22.480 12.908 1.00 44.23 H new ATOM 0 HB2 GLU A 75 7.631 22.712 15.875 1.00 71.14 H new ATOM 0 HB3 GLU A 75 8.778 23.760 15.064 1.00 71.14 H new ATOM 0 HG2 GLU A 75 5.899 23.501 14.132 1.00 15.43 H new ATOM 0 HG3 GLU A 75 6.369 24.628 15.389 1.00 15.43 H new ATOM 1200 N GLU A 76 9.471 20.035 14.514 1.00 34.33 N ATOM 1201 CA GLU A 76 10.651 19.217 14.797 1.00 4.31 C ATOM 1202 C GLU A 76 10.678 17.924 13.958 1.00 54.31 C ATOM 1203 O GLU A 76 11.467 17.014 14.244 1.00 63.32 O ATOM 1204 CB GLU A 76 10.733 18.926 16.306 1.00 44.12 C ATOM 1205 CG GLU A 76 10.859 20.202 17.154 1.00 23.25 C ATOM 1206 CD GLU A 76 11.349 19.874 18.562 1.00 21.14 C ATOM 1207 OE1 GLU A 76 12.569 19.623 18.721 1.00 0.55 O ATOM 1208 OE2 GLU A 76 10.514 19.822 19.495 1.00 75.33 O ATOM 0 H GLU A 76 8.604 19.498 14.522 1.00 34.33 H new ATOM 0 HA GLU A 76 11.536 19.781 14.505 1.00 4.31 H new ATOM 0 HB2 GLU A 76 9.843 18.377 16.614 1.00 44.12 H new ATOM 0 HB3 GLU A 76 11.589 18.280 16.501 1.00 44.12 H new ATOM 0 HG2 GLU A 76 11.552 20.894 16.676 1.00 23.25 H new ATOM 0 HG3 GLU A 76 9.893 20.704 17.208 1.00 23.25 H new ATOM 1215 N GLY A 77 9.810 17.808 12.948 1.00 3.42 N ATOM 1216 CA GLY A 77 9.629 16.607 12.146 1.00 74.13 C ATOM 1217 C GLY A 77 9.480 16.975 10.676 1.00 32.42 C ATOM 1218 O GLY A 77 10.431 16.843 9.904 1.00 13.43 O ATOM 0 H GLY A 77 9.199 18.573 12.662 1.00 3.42 H new ATOM 0 HA2 GLY A 77 10.482 15.941 12.277 1.00 74.13 H new ATOM 0 HA3 GLY A 77 8.746 16.065 12.484 1.00 74.13 H new ATOM 1222 N GLY A 78 8.293 17.429 10.292 1.00 13.25 N ATOM 1223 CA GLY A 78 7.974 18.010 9.001 1.00 40.30 C ATOM 1224 C GLY A 78 6.458 18.141 8.889 1.00 72.30 C ATOM 1225 O GLY A 78 5.737 17.734 9.813 1.00 75.23 O ATOM 0 H GLY A 78 7.483 17.398 10.912 1.00 13.25 H new ATOM 0 HA2 GLY A 78 8.447 18.987 8.898 1.00 40.30 H new ATOM 0 HA3 GLY A 78 8.360 17.383 8.198 1.00 40.30 H new ATOM 1229 N ILE A 79 5.952 18.652 7.765 1.00 5.51 N ATOM 1230 CA ILE A 79 4.526 18.661 7.491 1.00 54.52 C ATOM 1231 C ILE A 79 4.190 17.377 6.746 1.00 24.45 C ATOM 1232 O ILE A 79 4.433 17.271 5.551 1.00 63.12 O ATOM 1233 CB ILE A 79 4.098 19.978 6.786 1.00 4.14 C ATOM 1234 CG1 ILE A 79 4.391 21.203 7.688 1.00 22.03 C ATOM 1235 CG2 ILE A 79 2.600 19.957 6.425 1.00 1.23 C ATOM 1236 CD1 ILE A 79 4.109 22.560 7.033 1.00 21.13 C ATOM 0 H ILE A 79 6.521 19.067 7.027 1.00 5.51 H new ATOM 0 HA ILE A 79 3.936 18.664 8.407 1.00 54.52 H new ATOM 0 HB ILE A 79 4.679 20.059 5.868 1.00 4.14 H new ATOM 0 HG12 ILE A 79 3.793 21.121 8.595 1.00 22.03 H new ATOM 0 HG13 ILE A 79 5.437 21.172 7.992 1.00 22.03 H new ATOM 0 HG21 ILE A 79 2.331 20.892 5.933 1.00 1.23 H new ATOM 0 HG22 ILE A 79 2.399 19.123 5.753 1.00 1.23 H new ATOM 0 HG23 ILE A 79 2.008 19.842 7.333 1.00 1.23 H new ATOM 0 HD11 ILE A 79 4.342 23.359 7.737 1.00 21.13 H new ATOM 0 HD12 ILE A 79 4.727 22.669 6.142 1.00 21.13 H new ATOM 0 HD13 ILE A 79 3.057 22.618 6.754 1.00 21.13 H new ATOM 1248 N TYR A 80 3.690 16.362 7.448 1.00 0.51 N ATOM 1249 CA TYR A 80 3.202 15.151 6.802 1.00 43.12 C ATOM 1250 C TYR A 80 1.847 15.472 6.153 1.00 70.31 C ATOM 1251 O TYR A 80 0.959 16.009 6.822 1.00 13.12 O ATOM 1252 CB TYR A 80 3.075 14.038 7.849 1.00 44.23 C ATOM 1253 CG TYR A 80 3.092 12.592 7.373 1.00 71.24 C ATOM 1254 CD1 TYR A 80 3.090 12.246 6.004 1.00 24.35 C ATOM 1255 CD2 TYR A 80 3.131 11.566 8.339 1.00 31.03 C ATOM 1256 CE1 TYR A 80 3.115 10.901 5.607 1.00 12.31 C ATOM 1257 CE2 TYR A 80 3.119 10.217 7.951 1.00 20.22 C ATOM 1258 CZ TYR A 80 3.118 9.885 6.582 1.00 62.02 C ATOM 1259 OH TYR A 80 3.107 8.587 6.187 1.00 1.41 O ATOM 0 H TYR A 80 3.613 16.357 8.465 1.00 0.51 H new ATOM 0 HA TYR A 80 3.892 14.807 6.031 1.00 43.12 H new ATOM 0 HB2 TYR A 80 3.887 14.161 8.565 1.00 44.23 H new ATOM 0 HB3 TYR A 80 2.144 14.198 8.392 1.00 44.23 H new ATOM 0 HD1 TYR A 80 3.069 13.024 5.256 1.00 24.35 H new ATOM 0 HD2 TYR A 80 3.170 11.820 9.388 1.00 31.03 H new ATOM 0 HE1 TYR A 80 3.132 10.646 4.558 1.00 12.31 H new ATOM 0 HE2 TYR A 80 3.111 9.437 8.698 1.00 20.22 H new ATOM 0 HH TYR A 80 3.112 8.005 6.975 1.00 1.41 H new ATOM 1269 N VAL A 81 1.665 15.142 4.873 1.00 11.31 N ATOM 1270 CA VAL A 81 0.439 15.371 4.120 1.00 30.01 C ATOM 1271 C VAL A 81 0.023 14.032 3.499 1.00 1.52 C ATOM 1272 O VAL A 81 0.765 13.438 2.713 1.00 50.32 O ATOM 1273 CB VAL A 81 0.661 16.484 3.066 1.00 71.43 C ATOM 1274 CG1 VAL A 81 -0.641 16.854 2.339 1.00 62.24 C ATOM 1275 CG2 VAL A 81 1.245 17.772 3.672 1.00 31.03 C ATOM 0 H VAL A 81 2.393 14.693 4.317 1.00 11.31 H new ATOM 0 HA VAL A 81 -0.368 15.723 4.763 1.00 30.01 H new ATOM 0 HB VAL A 81 1.378 16.063 2.361 1.00 71.43 H new ATOM 0 HG11 VAL A 81 -0.440 17.638 1.609 1.00 62.24 H new ATOM 0 HG12 VAL A 81 -1.035 15.975 1.829 1.00 62.24 H new ATOM 0 HG13 VAL A 81 -1.373 17.212 3.063 1.00 62.24 H new ATOM 0 HG21 VAL A 81 1.379 18.516 2.886 1.00 31.03 H new ATOM 0 HG22 VAL A 81 0.562 18.161 4.427 1.00 31.03 H new ATOM 0 HG23 VAL A 81 2.209 17.553 4.132 1.00 31.03 H new ATOM 1285 N SER A 82 -1.170 13.552 3.840 1.00 43.44 N ATOM 1286 CA SER A 82 -1.811 12.405 3.218 1.00 21.05 C ATOM 1287 C SER A 82 -3.164 12.883 2.699 1.00 23.44 C ATOM 1288 O SER A 82 -3.995 13.386 3.463 1.00 2.54 O ATOM 1289 CB SER A 82 -1.884 11.232 4.213 1.00 21.14 C ATOM 1290 OG SER A 82 -2.199 11.657 5.527 1.00 14.44 O ATOM 0 H SER A 82 -1.733 13.967 4.582 1.00 43.44 H new ATOM 0 HA SER A 82 -1.244 12.013 2.374 1.00 21.05 H new ATOM 0 HB2 SER A 82 -2.636 10.519 3.875 1.00 21.14 H new ATOM 0 HB3 SER A 82 -0.928 10.708 4.223 1.00 21.14 H new ATOM 0 HG SER A 82 -2.236 10.879 6.122 1.00 14.44 H new ATOM 1296 N LYS A 83 -3.356 12.840 1.380 1.00 5.54 N ATOM 1297 CA LYS A 83 -4.662 12.988 0.749 1.00 22.43 C ATOM 1298 C LYS A 83 -4.608 12.198 -0.559 1.00 53.55 C ATOM 1299 O LYS A 83 -3.545 12.082 -1.178 1.00 51.25 O ATOM 1300 CB LYS A 83 -5.039 14.444 0.437 1.00 50.21 C ATOM 1301 CG LYS A 83 -4.707 15.492 1.511 1.00 5.54 C ATOM 1302 CD LYS A 83 -4.970 16.950 1.119 1.00 3.40 C ATOM 1303 CE LYS A 83 -3.810 17.596 0.350 1.00 54.52 C ATOM 1304 NZ LYS A 83 -3.828 17.283 -1.090 1.00 43.21 N ATOM 0 H LYS A 83 -2.597 12.699 0.714 1.00 5.54 H new ATOM 0 HA LYS A 83 -5.421 12.623 1.441 1.00 22.43 H new ATOM 0 HB2 LYS A 83 -4.538 14.734 -0.487 1.00 50.21 H new ATOM 0 HB3 LYS A 83 -6.111 14.483 0.244 1.00 50.21 H new ATOM 0 HG2 LYS A 83 -5.287 15.265 2.406 1.00 5.54 H new ATOM 0 HG3 LYS A 83 -3.655 15.391 1.779 1.00 5.54 H new ATOM 0 HD2 LYS A 83 -5.871 16.997 0.508 1.00 3.40 H new ATOM 0 HD3 LYS A 83 -5.166 17.531 2.020 1.00 3.40 H new ATOM 0 HE2 LYS A 83 -3.852 18.677 0.482 1.00 54.52 H new ATOM 0 HE3 LYS A 83 -2.866 17.259 0.778 1.00 54.52 H new ATOM 0 HZ1 LYS A 83 -3.316 18.022 -1.612 1.00 43.21 H new ATOM 0 HZ2 LYS A 83 -3.368 16.364 -1.251 1.00 43.21 H new ATOM 0 HZ3 LYS A 83 -4.812 17.241 -1.424 1.00 43.21 H new ATOM 1318 N PHE A 84 -5.770 11.814 -1.070 1.00 13.13 N ATOM 1319 CA PHE A 84 -6.000 11.330 -2.419 1.00 54.53 C ATOM 1320 C PHE A 84 -5.429 12.303 -3.448 1.00 1.33 C ATOM 1321 O PHE A 84 -5.310 13.502 -3.170 1.00 42.45 O ATOM 1322 CB PHE A 84 -7.519 11.170 -2.631 1.00 72.04 C ATOM 1323 CG PHE A 84 -8.319 12.408 -2.240 1.00 22.12 C ATOM 1324 CD1 PHE A 84 -8.426 13.507 -3.114 1.00 41.12 C ATOM 1325 CD2 PHE A 84 -8.874 12.503 -0.950 1.00 52.11 C ATOM 1326 CE1 PHE A 84 -9.037 14.697 -2.680 1.00 13.30 C ATOM 1327 CE2 PHE A 84 -9.491 13.687 -0.520 1.00 22.33 C ATOM 1328 CZ PHE A 84 -9.569 14.792 -1.382 1.00 70.14 C ATOM 0 H PHE A 84 -6.627 11.834 -0.518 1.00 13.13 H new ATOM 0 HA PHE A 84 -5.499 10.371 -2.550 1.00 54.53 H new ATOM 0 HB2 PHE A 84 -7.710 10.939 -3.679 1.00 72.04 H new ATOM 0 HB3 PHE A 84 -7.872 10.319 -2.048 1.00 72.04 H new ATOM 0 HD1 PHE A 84 -8.038 13.436 -4.119 1.00 41.12 H new ATOM 0 HD2 PHE A 84 -8.824 11.655 -0.284 1.00 52.11 H new ATOM 0 HE1 PHE A 84 -9.098 15.543 -3.348 1.00 13.30 H new ATOM 0 HE2 PHE A 84 -9.906 13.748 0.475 1.00 22.33 H new ATOM 0 HZ PHE A 84 -10.034 15.709 -1.051 1.00 70.14 H new ATOM 1338 N THR A 85 -5.163 11.815 -4.655 1.00 54.44 N ATOM 1339 CA THR A 85 -4.861 12.649 -5.822 1.00 13.22 C ATOM 1340 C THR A 85 -5.973 12.583 -6.882 1.00 70.33 C ATOM 1341 O THR A 85 -5.980 13.390 -7.815 1.00 12.12 O ATOM 1342 CB THR A 85 -3.496 12.241 -6.401 1.00 71.14 C ATOM 1343 OG1 THR A 85 -3.475 10.841 -6.590 1.00 24.23 O ATOM 1344 CG2 THR A 85 -2.356 12.644 -5.461 1.00 33.33 C ATOM 0 H THR A 85 -5.150 10.815 -4.857 1.00 54.44 H new ATOM 0 HA THR A 85 -4.812 13.690 -5.502 1.00 13.22 H new ATOM 0 HB THR A 85 -3.353 12.754 -7.352 1.00 71.14 H new ATOM 0 HG1 THR A 85 -2.608 10.574 -6.961 1.00 24.23 H new ATOM 0 HG21 THR A 85 -1.403 12.343 -5.895 1.00 33.33 H new ATOM 0 HG22 THR A 85 -2.366 13.725 -5.320 1.00 33.33 H new ATOM 0 HG23 THR A 85 -2.487 12.151 -4.498 1.00 33.33 H new ATOM 1352 N LEU A 86 -6.941 11.664 -6.768 1.00 5.10 N ATOM 1353 CA LEU A 86 -8.037 11.504 -7.724 1.00 22.21 C ATOM 1354 C LEU A 86 -9.318 11.196 -6.962 1.00 70.44 C ATOM 1355 O LEU A 86 -9.265 10.672 -5.850 1.00 50.15 O ATOM 1356 CB LEU A 86 -7.699 10.364 -8.707 1.00 30.23 C ATOM 1357 CG LEU A 86 -8.589 10.275 -9.967 1.00 13.14 C ATOM 1358 CD1 LEU A 86 -8.422 11.529 -10.829 1.00 5.32 C ATOM 1359 CD2 LEU A 86 -8.245 9.037 -10.808 1.00 33.51 C ATOM 0 H LEU A 86 -6.982 11.001 -5.994 1.00 5.10 H new ATOM 0 HA LEU A 86 -8.177 12.422 -8.294 1.00 22.21 H new ATOM 0 HB2 LEU A 86 -6.663 10.479 -9.025 1.00 30.23 H new ATOM 0 HB3 LEU A 86 -7.765 9.417 -8.172 1.00 30.23 H new ATOM 0 HG LEU A 86 -9.623 10.195 -9.631 1.00 13.14 H new ATOM 0 HD11 LEU A 86 -9.056 11.450 -11.712 1.00 5.32 H new ATOM 0 HD12 LEU A 86 -8.711 12.408 -10.253 1.00 5.32 H new ATOM 0 HD13 LEU A 86 -7.381 11.623 -11.137 1.00 5.32 H new ATOM 0 HD21 LEU A 86 -8.889 9.004 -11.687 1.00 33.51 H new ATOM 0 HD22 LEU A 86 -7.203 9.089 -11.123 1.00 33.51 H new ATOM 0 HD23 LEU A 86 -8.399 8.138 -10.212 1.00 33.51 H new ATOM 1371 N ASN A 87 -10.470 11.471 -7.570 1.00 3.03 N ATOM 1372 CA ASN A 87 -11.777 11.146 -7.021 1.00 22.30 C ATOM 1373 C ASN A 87 -12.689 10.765 -8.186 1.00 25.14 C ATOM 1374 O ASN A 87 -13.537 11.547 -8.626 1.00 13.44 O ATOM 1375 CB ASN A 87 -12.299 12.327 -6.188 1.00 13.40 C ATOM 1376 CG ASN A 87 -13.538 11.962 -5.388 1.00 30.13 C ATOM 1377 OD1 ASN A 87 -14.116 10.892 -5.539 1.00 31.31 O ATOM 1378 ND2 ASN A 87 -13.948 12.809 -4.467 1.00 34.42 N ATOM 0 H ASN A 87 -10.518 11.936 -8.477 1.00 3.03 H new ATOM 0 HA ASN A 87 -11.734 10.298 -6.338 1.00 22.30 H new ATOM 0 HB2 ASN A 87 -11.516 12.664 -5.509 1.00 13.40 H new ATOM 0 HB3 ASN A 87 -12.529 13.162 -6.849 1.00 13.40 H new ATOM 0 HD21 ASN A 87 -14.747 12.575 -3.878 1.00 34.42 H new ATOM 0 HD22 ASN A 87 -13.466 13.699 -4.342 1.00 34.42 H new ATOM 1385 N GLU A 88 -12.404 9.620 -8.790 1.00 32.51 N ATOM 1386 CA GLU A 88 -13.206 8.990 -9.830 1.00 73.23 C ATOM 1387 C GLU A 88 -14.321 8.175 -9.157 1.00 32.54 C ATOM 1388 O GLU A 88 -14.228 7.835 -7.974 1.00 21.40 O ATOM 1389 CB GLU A 88 -12.264 8.086 -10.646 1.00 32.54 C ATOM 1390 CG GLU A 88 -11.729 8.711 -11.935 1.00 42.25 C ATOM 1391 CD GLU A 88 -12.608 8.433 -13.146 1.00 13.00 C ATOM 1392 OE1 GLU A 88 -12.761 7.250 -13.511 1.00 74.55 O ATOM 1393 OE2 GLU A 88 -13.149 9.407 -13.712 1.00 41.45 O ATOM 0 H GLU A 88 -11.570 9.080 -8.558 1.00 32.51 H new ATOM 0 HA GLU A 88 -13.671 9.720 -10.493 1.00 73.23 H new ATOM 0 HB2 GLU A 88 -11.419 7.805 -10.018 1.00 32.54 H new ATOM 0 HB3 GLU A 88 -12.793 7.167 -10.897 1.00 32.54 H new ATOM 0 HG2 GLU A 88 -11.640 9.789 -11.799 1.00 42.25 H new ATOM 0 HG3 GLU A 88 -10.726 8.330 -12.127 1.00 42.25 H new ATOM 1400 N PRO A 89 -15.371 7.796 -9.899 1.00 54.04 N ATOM 1401 CA PRO A 89 -16.473 7.015 -9.353 1.00 24.20 C ATOM 1402 C PRO A 89 -16.009 5.620 -8.934 1.00 33.30 C ATOM 1403 O PRO A 89 -16.452 5.097 -7.908 1.00 54.53 O ATOM 1404 CB PRO A 89 -17.510 6.959 -10.474 1.00 74.43 C ATOM 1405 CG PRO A 89 -16.723 7.198 -11.761 1.00 10.44 C ATOM 1406 CD PRO A 89 -15.555 8.061 -11.316 1.00 14.41 C ATOM 0 HA PRO A 89 -16.886 7.463 -8.449 1.00 24.20 H new ATOM 0 HB2 PRO A 89 -18.015 5.993 -10.495 1.00 74.43 H new ATOM 0 HB3 PRO A 89 -18.280 7.718 -10.336 1.00 74.43 H new ATOM 0 HG2 PRO A 89 -16.383 6.261 -12.202 1.00 10.44 H new ATOM 0 HG3 PRO A 89 -17.330 7.703 -12.513 1.00 10.44 H new ATOM 0 HD2 PRO A 89 -14.654 7.816 -11.878 1.00 14.41 H new ATOM 0 HD3 PRO A 89 -15.762 9.117 -11.491 1.00 14.41 H new ATOM 1414 N LYS A 90 -15.133 5.018 -9.738 1.00 31.40 N ATOM 1415 CA LYS A 90 -14.659 3.640 -9.597 1.00 12.42 C ATOM 1416 C LYS A 90 -13.136 3.525 -9.452 1.00 30.23 C ATOM 1417 O LYS A 90 -12.634 2.402 -9.427 1.00 50.23 O ATOM 1418 CB LYS A 90 -15.156 2.797 -10.781 1.00 50.22 C ATOM 1419 CG LYS A 90 -16.670 2.585 -10.888 1.00 65.55 C ATOM 1420 CD LYS A 90 -17.261 1.702 -9.796 1.00 54.11 C ATOM 1421 CE LYS A 90 -18.049 2.507 -8.779 1.00 41.42 C ATOM 1422 NZ LYS A 90 -18.896 1.623 -7.957 1.00 61.44 N ATOM 0 H LYS A 90 -14.717 5.495 -10.538 1.00 31.40 H new ATOM 0 HA LYS A 90 -15.076 3.257 -8.665 1.00 12.42 H new ATOM 0 HB2 LYS A 90 -14.813 3.268 -11.702 1.00 50.22 H new ATOM 0 HB3 LYS A 90 -14.679 1.819 -10.726 1.00 50.22 H new ATOM 0 HG2 LYS A 90 -17.163 3.556 -10.859 1.00 65.55 H new ATOM 0 HG3 LYS A 90 -16.895 2.142 -11.858 1.00 65.55 H new ATOM 0 HD2 LYS A 90 -17.911 0.953 -10.248 1.00 54.11 H new ATOM 0 HD3 LYS A 90 -16.459 1.165 -9.290 1.00 54.11 H new ATOM 0 HE2 LYS A 90 -17.364 3.062 -8.138 1.00 41.42 H new ATOM 0 HE3 LYS A 90 -18.671 3.241 -9.292 1.00 41.42 H new ATOM 0 HZ1 LYS A 90 -19.427 2.193 -7.268 1.00 61.44 H new ATOM 0 HZ2 LYS A 90 -19.563 1.112 -8.570 1.00 61.44 H new ATOM 0 HZ3 LYS A 90 -18.297 0.939 -7.452 1.00 61.44 H new ATOM 1436 N HIS A 91 -12.396 4.629 -9.315 1.00 74.31 N ATOM 1437 CA HIS A 91 -10.947 4.624 -9.138 1.00 11.32 C ATOM 1438 C HIS A 91 -10.631 5.632 -8.033 1.00 52.22 C ATOM 1439 O HIS A 91 -11.292 6.667 -7.935 1.00 54.45 O ATOM 1440 CB HIS A 91 -10.265 5.003 -10.470 1.00 1.34 C ATOM 1441 CG HIS A 91 -8.782 4.749 -10.592 1.00 64.23 C ATOM 1442 ND1 HIS A 91 -8.037 5.053 -11.709 1.00 50.42 N ATOM 1443 CD2 HIS A 91 -7.938 4.149 -9.694 1.00 44.34 C ATOM 1444 CE1 HIS A 91 -6.777 4.659 -11.487 1.00 70.53 C ATOM 1445 NE2 HIS A 91 -6.671 4.105 -10.270 1.00 21.51 N ATOM 0 H HIS A 91 -12.798 5.567 -9.325 1.00 74.31 H new ATOM 0 HA HIS A 91 -10.574 3.640 -8.855 1.00 11.32 H new ATOM 0 HB2 HIS A 91 -10.766 4.459 -11.271 1.00 1.34 H new ATOM 0 HB3 HIS A 91 -10.440 6.064 -10.647 1.00 1.34 H new ATOM 0 HD2 HIS A 91 -8.207 3.777 -8.716 1.00 44.34 H new ATOM 0 HE1 HIS A 91 -5.963 4.771 -12.187 1.00 70.53 H new ATOM 0 HE2 HIS A 91 -5.824 3.724 -9.847 1.00 21.51 H new ATOM 1453 N LYS A 92 -9.616 5.374 -7.211 1.00 74.13 N ATOM 1454 CA LYS A 92 -9.019 6.381 -6.345 1.00 52.43 C ATOM 1455 C LYS A 92 -7.543 6.043 -6.192 1.00 52.34 C ATOM 1456 O LYS A 92 -7.176 4.868 -6.238 1.00 70.33 O ATOM 1457 CB LYS A 92 -9.761 6.446 -4.990 1.00 2.22 C ATOM 1458 CG LYS A 92 -10.382 7.834 -4.780 1.00 2.13 C ATOM 1459 CD LYS A 92 -11.410 7.879 -3.643 1.00 52.21 C ATOM 1460 CE LYS A 92 -12.144 9.228 -3.696 1.00 24.10 C ATOM 1461 NZ LYS A 92 -13.141 9.373 -2.618 1.00 52.45 N ATOM 0 H LYS A 92 -9.184 4.454 -7.129 1.00 74.13 H new ATOM 0 HA LYS A 92 -9.110 7.376 -6.781 1.00 52.43 H new ATOM 0 HB2 LYS A 92 -10.540 5.685 -4.959 1.00 2.22 H new ATOM 0 HB3 LYS A 92 -9.067 6.225 -4.179 1.00 2.22 H new ATOM 0 HG2 LYS A 92 -9.588 8.550 -4.570 1.00 2.13 H new ATOM 0 HG3 LYS A 92 -10.862 8.152 -5.706 1.00 2.13 H new ATOM 0 HD2 LYS A 92 -12.120 7.058 -3.743 1.00 52.21 H new ATOM 0 HD3 LYS A 92 -10.914 7.756 -2.680 1.00 52.21 H new ATOM 0 HE2 LYS A 92 -11.417 10.037 -3.624 1.00 24.10 H new ATOM 0 HE3 LYS A 92 -12.640 9.330 -4.661 1.00 24.10 H new ATOM 0 HZ1 LYS A 92 -13.607 10.299 -2.699 1.00 52.45 H new ATOM 0 HZ2 LYS A 92 -13.852 8.619 -2.699 1.00 52.45 H new ATOM 0 HZ3 LYS A 92 -12.667 9.303 -1.695 1.00 52.45 H new ATOM 1475 N ILE A 93 -6.724 7.069 -5.985 1.00 62.41 N ATOM 1476 CA ILE A 93 -5.285 6.975 -5.795 1.00 42.43 C ATOM 1477 C ILE A 93 -5.004 7.729 -4.506 1.00 30.34 C ATOM 1478 O ILE A 93 -5.601 8.787 -4.273 1.00 31.22 O ATOM 1479 CB ILE A 93 -4.519 7.566 -7.001 1.00 23.54 C ATOM 1480 CG1 ILE A 93 -4.820 6.798 -8.310 1.00 32.14 C ATOM 1481 CG2 ILE A 93 -3.007 7.589 -6.700 1.00 33.14 C ATOM 1482 CD1 ILE A 93 -5.896 7.456 -9.156 1.00 34.22 C ATOM 0 H ILE A 93 -7.063 8.030 -5.944 1.00 62.41 H new ATOM 0 HA ILE A 93 -4.946 5.941 -5.727 1.00 42.43 H new ATOM 0 HB ILE A 93 -4.863 8.589 -7.154 1.00 23.54 H new ATOM 0 HG12 ILE A 93 -3.904 6.719 -8.896 1.00 32.14 H new ATOM 0 HG13 ILE A 93 -5.130 5.782 -8.065 1.00 32.14 H new ATOM 0 HG21 ILE A 93 -2.472 8.006 -7.553 1.00 33.14 H new ATOM 0 HG22 ILE A 93 -2.821 8.203 -5.819 1.00 33.14 H new ATOM 0 HG23 ILE A 93 -2.657 6.573 -6.514 1.00 33.14 H new ATOM 0 HD11 ILE A 93 -6.059 6.868 -10.059 1.00 34.22 H new ATOM 0 HD12 ILE A 93 -6.824 7.511 -8.586 1.00 34.22 H new ATOM 0 HD13 ILE A 93 -5.579 8.462 -9.431 1.00 34.22 H new ATOM 1494 N PHE A 94 -4.133 7.168 -3.671 1.00 50.04 N ATOM 1495 CA PHE A 94 -3.907 7.575 -2.300 1.00 12.23 C ATOM 1496 C PHE A 94 -2.392 7.713 -2.120 1.00 14.34 C ATOM 1497 O PHE A 94 -1.661 6.725 -2.220 1.00 10.11 O ATOM 1498 CB PHE A 94 -4.581 6.522 -1.407 1.00 34.32 C ATOM 1499 CG PHE A 94 -4.370 6.704 0.078 1.00 72.22 C ATOM 1500 CD1 PHE A 94 -3.183 6.254 0.682 1.00 74.40 C ATOM 1501 CD2 PHE A 94 -5.355 7.338 0.854 1.00 61.01 C ATOM 1502 CE1 PHE A 94 -2.933 6.559 2.034 1.00 41.51 C ATOM 1503 CE2 PHE A 94 -5.134 7.567 2.220 1.00 25.23 C ATOM 1504 CZ PHE A 94 -3.905 7.233 2.797 1.00 23.24 C ATOM 0 H PHE A 94 -3.543 6.384 -3.950 1.00 50.04 H new ATOM 0 HA PHE A 94 -4.340 8.537 -2.027 1.00 12.23 H new ATOM 0 HB2 PHE A 94 -5.652 6.530 -1.609 1.00 34.32 H new ATOM 0 HB3 PHE A 94 -4.211 5.537 -1.692 1.00 34.32 H new ATOM 0 HD1 PHE A 94 -2.468 5.678 0.113 1.00 74.40 H new ATOM 0 HD2 PHE A 94 -6.283 7.649 0.398 1.00 61.01 H new ATOM 0 HE1 PHE A 94 -1.994 6.275 2.486 1.00 41.51 H new ATOM 0 HE2 PHE A 94 -5.914 8.002 2.827 1.00 25.23 H new ATOM 0 HZ PHE A 94 -3.702 7.492 3.826 1.00 23.24 H new ATOM 1514 N GLU A 95 -1.909 8.946 -1.935 1.00 53.42 N ATOM 1515 CA GLU A 95 -0.482 9.273 -1.901 1.00 61.32 C ATOM 1516 C GLU A 95 -0.182 10.032 -0.602 1.00 21.24 C ATOM 1517 O GLU A 95 -0.882 11.001 -0.286 1.00 12.23 O ATOM 1518 CB GLU A 95 -0.084 10.103 -3.143 1.00 21.41 C ATOM 1519 CG GLU A 95 -0.591 9.516 -4.477 1.00 10.14 C ATOM 1520 CD GLU A 95 0.125 10.036 -5.736 1.00 5.41 C ATOM 1521 OE1 GLU A 95 0.918 11.003 -5.675 1.00 22.14 O ATOM 1522 OE2 GLU A 95 -0.082 9.441 -6.818 1.00 24.13 O ATOM 0 H GLU A 95 -2.511 9.759 -1.802 1.00 53.42 H new ATOM 0 HA GLU A 95 0.109 8.357 -1.924 1.00 61.32 H new ATOM 0 HB2 GLU A 95 -0.473 11.115 -3.031 1.00 21.41 H new ATOM 0 HB3 GLU A 95 1.002 10.182 -3.182 1.00 21.41 H new ATOM 0 HG2 GLU A 95 -0.487 8.432 -4.441 1.00 10.14 H new ATOM 0 HG3 GLU A 95 -1.656 9.731 -4.569 1.00 10.14 H new ATOM 1529 N ALA A 96 0.833 9.603 0.159 1.00 61.42 N ATOM 1530 CA ALA A 96 1.139 10.130 1.486 1.00 63.31 C ATOM 1531 C ALA A 96 2.641 10.380 1.632 1.00 70.20 C ATOM 1532 O ALA A 96 3.443 9.441 1.554 1.00 41.13 O ATOM 1533 CB ALA A 96 0.622 9.154 2.548 1.00 10.13 C ATOM 0 H ALA A 96 1.473 8.867 -0.140 1.00 61.42 H new ATOM 0 HA ALA A 96 0.639 11.089 1.624 1.00 63.31 H new ATOM 0 HB1 ALA A 96 0.848 9.543 3.541 1.00 10.13 H new ATOM 0 HB2 ALA A 96 -0.456 9.038 2.441 1.00 10.13 H new ATOM 0 HB3 ALA A 96 1.106 8.186 2.419 1.00 10.13 H new ATOM 1539 N GLY A 97 3.034 11.635 1.860 1.00 62.44 N ATOM 1540 CA GLY A 97 4.431 12.042 1.955 1.00 63.34 C ATOM 1541 C GLY A 97 4.591 13.346 2.713 1.00 41.44 C ATOM 1542 O GLY A 97 3.606 14.005 3.056 1.00 74.10 O ATOM 0 H GLY A 97 2.378 12.406 1.985 1.00 62.44 H new ATOM 0 HA2 GLY A 97 5.004 11.260 2.454 1.00 63.34 H new ATOM 0 HA3 GLY A 97 4.846 12.151 0.953 1.00 63.34 H new ATOM 1546 N TYR A 98 5.834 13.726 2.988 1.00 1.45 N ATOM 1547 CA TYR A 98 6.132 14.939 3.734 1.00 4.14 C ATOM 1548 C TYR A 98 6.296 16.113 2.792 1.00 63.13 C ATOM 1549 O TYR A 98 6.767 15.942 1.667 1.00 4.23 O ATOM 1550 CB TYR A 98 7.388 14.735 4.571 1.00 63.31 C ATOM 1551 CG TYR A 98 7.047 14.216 5.944 1.00 52.21 C ATOM 1552 CD1 TYR A 98 6.923 12.838 6.179 1.00 60.03 C ATOM 1553 CD2 TYR A 98 6.807 15.130 6.980 1.00 23.15 C ATOM 1554 CE1 TYR A 98 6.626 12.369 7.467 1.00 71.01 C ATOM 1555 CE2 TYR A 98 6.502 14.674 8.270 1.00 75.13 C ATOM 1556 CZ TYR A 98 6.447 13.284 8.524 1.00 33.32 C ATOM 1557 OH TYR A 98 6.268 12.828 9.790 1.00 20.12 O ATOM 0 H TYR A 98 6.660 13.202 2.700 1.00 1.45 H new ATOM 0 HA TYR A 98 5.300 15.159 4.403 1.00 4.14 H new ATOM 0 HB2 TYR A 98 8.053 14.033 4.069 1.00 63.31 H new ATOM 0 HB3 TYR A 98 7.927 15.678 4.659 1.00 63.31 H new ATOM 0 HD1 TYR A 98 7.056 12.138 5.367 1.00 60.03 H new ATOM 0 HD2 TYR A 98 6.857 16.191 6.783 1.00 23.15 H new ATOM 0 HE1 TYR A 98 6.535 11.308 7.649 1.00 71.01 H new ATOM 0 HE2 TYR A 98 6.310 15.380 9.065 1.00 75.13 H new ATOM 0 HH TYR A 98 6.626 13.481 10.427 1.00 20.12 H new ATOM 1567 N GLU A 99 5.944 17.311 3.254 1.00 54.43 N ATOM 1568 CA GLU A 99 5.883 18.473 2.381 1.00 41.22 C ATOM 1569 C GLU A 99 7.291 18.895 1.941 1.00 62.23 C ATOM 1570 O GLU A 99 7.465 19.408 0.837 1.00 30.33 O ATOM 1571 CB GLU A 99 5.084 19.607 3.060 1.00 62.14 C ATOM 1572 CG GLU A 99 4.165 20.230 2.011 1.00 2.55 C ATOM 1573 CD GLU A 99 3.159 21.279 2.500 1.00 70.44 C ATOM 1574 OE1 GLU A 99 3.410 22.020 3.474 1.00 4.13 O ATOM 1575 OE2 GLU A 99 2.115 21.384 1.812 1.00 54.13 O ATOM 0 H GLU A 99 5.698 17.499 4.226 1.00 54.43 H new ATOM 0 HA GLU A 99 5.346 18.218 1.467 1.00 41.22 H new ATOM 0 HB2 GLU A 99 4.501 19.216 3.894 1.00 62.14 H new ATOM 0 HB3 GLU A 99 5.760 20.358 3.469 1.00 62.14 H new ATOM 0 HG2 GLU A 99 4.789 20.691 1.245 1.00 2.55 H new ATOM 0 HG3 GLU A 99 3.609 19.427 1.528 1.00 2.55 H new ATOM 1582 N GLU A 100 8.312 18.593 2.751 1.00 64.20 N ATOM 1583 CA GLU A 100 9.719 18.846 2.439 1.00 11.11 C ATOM 1584 C GLU A 100 10.391 17.647 1.735 1.00 63.44 C ATOM 1585 O GLU A 100 11.569 17.725 1.386 1.00 70.21 O ATOM 1586 CB GLU A 100 10.475 19.250 3.723 1.00 5.03 C ATOM 1587 CG GLU A 100 9.942 20.571 4.310 1.00 50.13 C ATOM 1588 CD GLU A 100 10.857 21.179 5.383 1.00 11.34 C ATOM 1589 OE1 GLU A 100 12.042 21.441 5.073 1.00 12.22 O ATOM 1590 OE2 GLU A 100 10.397 21.497 6.509 1.00 12.15 O ATOM 0 H GLU A 100 8.177 18.156 3.663 1.00 64.20 H new ATOM 0 HA GLU A 100 9.763 19.673 1.730 1.00 11.11 H new ATOM 0 HB2 GLU A 100 10.379 18.458 4.465 1.00 5.03 H new ATOM 0 HB3 GLU A 100 11.537 19.353 3.502 1.00 5.03 H new ATOM 0 HG2 GLU A 100 9.813 21.292 3.503 1.00 50.13 H new ATOM 0 HG3 GLU A 100 8.956 20.396 4.741 1.00 50.13 H new ATOM 1597 N SER A 101 9.675 16.547 1.475 1.00 3.15 N ATOM 1598 CA SER A 101 10.208 15.279 0.970 1.00 25.14 C ATOM 1599 C SER A 101 9.336 14.749 -0.174 1.00 33.45 C ATOM 1600 O SER A 101 8.544 15.505 -0.741 1.00 44.10 O ATOM 1601 CB SER A 101 10.303 14.286 2.142 1.00 11.43 C ATOM 1602 OG SER A 101 11.649 13.921 2.397 1.00 50.34 O ATOM 0 H SER A 101 8.665 16.516 1.617 1.00 3.15 H new ATOM 0 HA SER A 101 11.207 15.423 0.557 1.00 25.14 H new ATOM 0 HB2 SER A 101 9.869 14.733 3.037 1.00 11.43 H new ATOM 0 HB3 SER A 101 9.718 13.394 1.915 1.00 11.43 H new ATOM 0 HG SER A 101 11.681 13.291 3.147 1.00 50.34 H new ATOM 1608 N GLU A 102 9.505 13.479 -0.546 1.00 65.11 N ATOM 1609 CA GLU A 102 8.569 12.738 -1.379 1.00 31.55 C ATOM 1610 C GLU A 102 7.631 11.868 -0.526 1.00 30.34 C ATOM 1611 O GLU A 102 7.639 11.925 0.709 1.00 5.05 O ATOM 1612 CB GLU A 102 9.284 12.083 -2.573 1.00 4.13 C ATOM 1613 CG GLU A 102 9.911 10.724 -2.259 1.00 52.44 C ATOM 1614 CD GLU A 102 9.841 9.710 -3.422 1.00 41.10 C ATOM 1615 OE1 GLU A 102 9.711 10.135 -4.594 1.00 5.42 O ATOM 1616 OE2 GLU A 102 9.933 8.478 -3.210 1.00 4.43 O ATOM 0 H GLU A 102 10.317 12.928 -0.267 1.00 65.11 H new ATOM 0 HA GLU A 102 7.871 13.415 -1.871 1.00 31.55 H new ATOM 0 HB2 GLU A 102 8.570 11.962 -3.388 1.00 4.13 H new ATOM 0 HB3 GLU A 102 10.063 12.757 -2.930 1.00 4.13 H new ATOM 0 HG2 GLU A 102 10.955 10.873 -1.984 1.00 52.44 H new ATOM 0 HG3 GLU A 102 9.410 10.298 -1.390 1.00 52.44 H new ATOM 1623 N VAL A 103 6.791 11.093 -1.206 1.00 65.14 N ATOM 1624 CA VAL A 103 5.980 10.028 -0.645 1.00 14.25 C ATOM 1625 C VAL A 103 6.819 8.949 0.030 1.00 64.42 C ATOM 1626 O VAL A 103 7.916 8.611 -0.405 1.00 71.44 O ATOM 1627 CB VAL A 103 5.103 9.403 -1.743 1.00 33.41 C ATOM 1628 CG1 VAL A 103 3.867 10.272 -1.965 1.00 24.25 C ATOM 1629 CG2 VAL A 103 5.854 9.197 -3.067 1.00 32.32 C ATOM 0 H VAL A 103 6.654 11.199 -2.211 1.00 65.14 H new ATOM 0 HA VAL A 103 5.349 10.473 0.125 1.00 14.25 H new ATOM 0 HB VAL A 103 4.809 8.412 -1.397 1.00 33.41 H new ATOM 0 HG11 VAL A 103 3.246 9.829 -2.743 1.00 24.25 H new ATOM 0 HG12 VAL A 103 3.297 10.337 -1.038 1.00 24.25 H new ATOM 0 HG13 VAL A 103 4.175 11.271 -2.272 1.00 24.25 H new ATOM 0 HG21 VAL A 103 5.182 8.753 -3.801 1.00 32.32 H new ATOM 0 HG22 VAL A 103 6.211 10.158 -3.436 1.00 32.32 H new ATOM 0 HG23 VAL A 103 6.703 8.533 -2.904 1.00 32.32 H new ATOM 1639 N ASP A 104 6.218 8.325 1.036 1.00 31.52 N ATOM 1640 CA ASP A 104 6.712 7.089 1.641 1.00 45.32 C ATOM 1641 C ASP A 104 5.710 5.955 1.423 1.00 12.35 C ATOM 1642 O ASP A 104 5.976 4.808 1.769 1.00 11.31 O ATOM 1643 CB ASP A 104 6.975 7.333 3.126 1.00 53.24 C ATOM 1644 CG ASP A 104 7.993 6.343 3.702 1.00 42.41 C ATOM 1645 OD1 ASP A 104 9.158 6.342 3.255 1.00 1.04 O ATOM 1646 OD2 ASP A 104 7.681 5.624 4.685 1.00 52.50 O ATOM 0 H ASP A 104 5.358 8.668 1.464 1.00 31.52 H new ATOM 0 HA ASP A 104 7.647 6.789 1.168 1.00 45.32 H new ATOM 0 HB2 ASP A 104 7.340 8.350 3.267 1.00 53.24 H new ATOM 0 HB3 ASP A 104 6.038 7.251 3.678 1.00 53.24 H new ATOM 1651 N LEU A 105 4.557 6.271 0.818 1.00 54.20 N ATOM 1652 CA LEU A 105 3.473 5.360 0.468 1.00 43.33 C ATOM 1653 C LEU A 105 2.734 5.954 -0.729 1.00 44.02 C ATOM 1654 O LEU A 105 2.356 7.130 -0.731 1.00 73.23 O ATOM 1655 CB LEU A 105 2.529 5.155 1.674 1.00 70.14 C ATOM 1656 CG LEU A 105 1.288 4.256 1.462 1.00 14.24 C ATOM 1657 CD1 LEU A 105 0.136 4.986 0.763 1.00 13.24 C ATOM 1658 CD2 LEU A 105 1.656 2.890 0.891 1.00 73.10 C ATOM 0 H LEU A 105 4.349 7.232 0.545 1.00 54.20 H new ATOM 0 HA LEU A 105 3.865 4.378 0.204 1.00 43.33 H new ATOM 0 HB2 LEU A 105 3.114 4.734 2.492 1.00 70.14 H new ATOM 0 HB3 LEU A 105 2.183 6.135 2.001 1.00 70.14 H new ATOM 0 HG LEU A 105 0.875 4.026 2.444 1.00 14.24 H new ATOM 0 HD11 LEU A 105 -0.706 4.305 0.642 1.00 13.24 H new ATOM 0 HD12 LEU A 105 -0.172 5.840 1.365 1.00 13.24 H new ATOM 0 HD13 LEU A 105 0.466 5.333 -0.216 1.00 13.24 H new ATOM 0 HD21 LEU A 105 0.752 2.295 0.760 1.00 73.10 H new ATOM 0 HD22 LEU A 105 2.148 3.019 -0.073 1.00 73.10 H new ATOM 0 HD23 LEU A 105 2.331 2.378 1.577 1.00 73.10 H new ATOM 1670 N ARG A 106 2.504 5.120 -1.741 1.00 1.43 N ATOM 1671 CA ARG A 106 1.528 5.328 -2.814 1.00 50.33 C ATOM 1672 C ARG A 106 0.730 4.036 -2.893 1.00 52.40 C ATOM 1673 O ARG A 106 1.338 2.971 -2.800 1.00 72.30 O ATOM 1674 CB ARG A 106 2.204 5.564 -4.181 1.00 33.43 C ATOM 1675 CG ARG A 106 3.203 6.733 -4.247 1.00 61.33 C ATOM 1676 CD ARG A 106 2.628 7.972 -4.948 1.00 62.11 C ATOM 1677 NE ARG A 106 2.326 7.730 -6.372 1.00 45.00 N ATOM 1678 CZ ARG A 106 3.240 7.527 -7.328 1.00 73.32 C ATOM 1679 NH1 ARG A 106 4.520 7.791 -7.091 1.00 53.20 N ATOM 1680 NH2 ARG A 106 2.876 7.055 -8.513 1.00 50.21 N ATOM 0 H ARG A 106 3.014 4.242 -1.842 1.00 1.43 H new ATOM 0 HA ARG A 106 0.921 6.207 -2.599 1.00 50.33 H new ATOM 0 HB2 ARG A 106 2.724 4.651 -4.469 1.00 33.43 H new ATOM 0 HB3 ARG A 106 1.425 5.735 -4.924 1.00 33.43 H new ATOM 0 HG2 ARG A 106 3.507 7.002 -3.235 1.00 61.33 H new ATOM 0 HG3 ARG A 106 4.101 6.408 -4.773 1.00 61.33 H new ATOM 0 HD2 ARG A 106 1.718 8.285 -4.436 1.00 62.11 H new ATOM 0 HD3 ARG A 106 3.339 8.794 -4.866 1.00 62.11 H new ATOM 0 HE ARG A 106 1.344 7.716 -6.649 1.00 45.00 H new ATOM 0 HH11 ARG A 106 4.807 8.149 -6.180 1.00 53.20 H new ATOM 0 HH12 ARG A 106 5.216 7.636 -7.820 1.00 53.20 H new ATOM 0 HH21 ARG A 106 1.895 6.845 -8.699 1.00 50.21 H new ATOM 0 HH22 ARG A 106 3.577 6.902 -9.238 1.00 50.21 H new ATOM 1694 N VAL A 107 -0.587 4.095 -3.058 1.00 4.33 N ATOM 1695 CA VAL A 107 -1.393 2.935 -3.411 1.00 41.21 C ATOM 1696 C VAL A 107 -2.517 3.411 -4.361 1.00 34.43 C ATOM 1697 O VAL A 107 -2.807 4.613 -4.421 1.00 65.54 O ATOM 1698 CB VAL A 107 -1.922 2.212 -2.150 1.00 74.32 C ATOM 1699 CG1 VAL A 107 -0.943 1.950 -0.988 1.00 21.45 C ATOM 1700 CG2 VAL A 107 -3.126 2.934 -1.604 1.00 30.14 C ATOM 0 H VAL A 107 -1.127 4.954 -2.950 1.00 4.33 H new ATOM 0 HA VAL A 107 -0.790 2.190 -3.930 1.00 41.21 H new ATOM 0 HB VAL A 107 -2.149 1.218 -2.535 1.00 74.32 H new ATOM 0 HG11 VAL A 107 -1.465 1.437 -0.181 1.00 21.45 H new ATOM 0 HG12 VAL A 107 -0.119 1.329 -1.340 1.00 21.45 H new ATOM 0 HG13 VAL A 107 -0.552 2.899 -0.621 1.00 21.45 H new ATOM 0 HG21 VAL A 107 -3.490 2.416 -0.717 1.00 30.14 H new ATOM 0 HG22 VAL A 107 -2.849 3.955 -1.340 1.00 30.14 H new ATOM 0 HG23 VAL A 107 -3.912 2.954 -2.359 1.00 30.14 H new ATOM 1710 N GLU A 108 -3.229 2.493 -5.027 1.00 22.51 N ATOM 1711 CA GLU A 108 -4.400 2.804 -5.852 1.00 43.44 C ATOM 1712 C GLU A 108 -5.442 1.689 -5.712 1.00 63.34 C ATOM 1713 O GLU A 108 -5.091 0.551 -5.385 1.00 22.21 O ATOM 1714 CB GLU A 108 -4.010 2.951 -7.334 1.00 74.52 C ATOM 1715 CG GLU A 108 -2.961 4.038 -7.618 1.00 2.42 C ATOM 1716 CD GLU A 108 -2.576 4.200 -9.098 1.00 34.14 C ATOM 1717 OE1 GLU A 108 -3.055 3.414 -9.947 1.00 41.41 O ATOM 1718 OE2 GLU A 108 -1.802 5.143 -9.400 1.00 63.51 O ATOM 0 H GLU A 108 -3.003 1.499 -5.007 1.00 22.51 H new ATOM 0 HA GLU A 108 -4.817 3.750 -5.506 1.00 43.44 H new ATOM 0 HB2 GLU A 108 -3.628 1.995 -7.692 1.00 74.52 H new ATOM 0 HB3 GLU A 108 -4.908 3.172 -7.912 1.00 74.52 H new ATOM 0 HG2 GLU A 108 -3.340 4.992 -7.250 1.00 2.42 H new ATOM 0 HG3 GLU A 108 -2.061 3.811 -7.047 1.00 2.42 H new ATOM 1725 N PHE A 109 -6.715 1.987 -5.999 1.00 5.24 N ATOM 1726 CA PHE A 109 -7.843 1.070 -5.848 1.00 12.02 C ATOM 1727 C PHE A 109 -8.810 1.251 -7.019 1.00 41.33 C ATOM 1728 O PHE A 109 -9.394 2.331 -7.162 1.00 61.12 O ATOM 1729 CB PHE A 109 -8.585 1.352 -4.528 1.00 51.43 C ATOM 1730 CG PHE A 109 -7.724 1.373 -3.285 1.00 23.44 C ATOM 1731 CD1 PHE A 109 -7.237 0.169 -2.749 1.00 21.41 C ATOM 1732 CD2 PHE A 109 -7.387 2.600 -2.682 1.00 30.41 C ATOM 1733 CE1 PHE A 109 -6.396 0.193 -1.623 1.00 43.12 C ATOM 1734 CE2 PHE A 109 -6.563 2.620 -1.545 1.00 54.14 C ATOM 1735 CZ PHE A 109 -6.068 1.414 -1.019 1.00 53.14 C ATOM 0 H PHE A 109 -6.993 2.902 -6.353 1.00 5.24 H new ATOM 0 HA PHE A 109 -7.466 0.047 -5.835 1.00 12.02 H new ATOM 0 HB2 PHE A 109 -9.090 2.314 -4.615 1.00 51.43 H new ATOM 0 HB3 PHE A 109 -9.359 0.596 -4.399 1.00 51.43 H new ATOM 0 HD1 PHE A 109 -7.508 -0.773 -3.201 1.00 21.41 H new ATOM 0 HD2 PHE A 109 -7.762 3.525 -3.094 1.00 30.41 H new ATOM 0 HE1 PHE A 109 -6.003 -0.730 -1.223 1.00 43.12 H new ATOM 0 HE2 PHE A 109 -6.310 3.559 -1.076 1.00 54.14 H new ATOM 0 HZ PHE A 109 -5.432 1.429 -0.146 1.00 53.14 H new ATOM 1745 N GLU A 110 -9.033 0.207 -7.821 1.00 10.25 N ATOM 1746 CA GLU A 110 -10.044 0.190 -8.879 1.00 41.20 C ATOM 1747 C GLU A 110 -11.128 -0.825 -8.524 1.00 13.42 C ATOM 1748 O GLU A 110 -10.835 -1.894 -7.976 1.00 23.44 O ATOM 1749 CB GLU A 110 -9.432 -0.195 -10.236 1.00 63.54 C ATOM 1750 CG GLU A 110 -8.760 0.975 -10.961 1.00 3.04 C ATOM 1751 CD GLU A 110 -8.290 0.551 -12.358 1.00 52.02 C ATOM 1752 OE1 GLU A 110 -9.157 0.384 -13.247 1.00 24.42 O ATOM 1753 OE2 GLU A 110 -7.073 0.352 -12.589 1.00 72.42 O ATOM 0 H GLU A 110 -8.507 -0.664 -7.752 1.00 10.25 H new ATOM 0 HA GLU A 110 -10.464 1.192 -8.960 1.00 41.20 H new ATOM 0 HB2 GLU A 110 -8.698 -0.986 -10.082 1.00 63.54 H new ATOM 0 HB3 GLU A 110 -10.214 -0.606 -10.874 1.00 63.54 H new ATOM 0 HG2 GLU A 110 -9.459 1.807 -11.044 1.00 3.04 H new ATOM 0 HG3 GLU A 110 -7.910 1.330 -10.378 1.00 3.04 H new ATOM 1760 N LEU A 111 -12.377 -0.524 -8.889 1.00 52.35 N ATOM 1761 CA LEU A 111 -13.424 -1.536 -8.953 1.00 32.21 C ATOM 1762 C LEU A 111 -13.207 -2.343 -10.227 1.00 23.54 C ATOM 1763 O LEU A 111 -13.200 -1.797 -11.329 1.00 74.15 O ATOM 1764 CB LEU A 111 -14.836 -0.937 -8.942 1.00 61.14 C ATOM 1765 CG LEU A 111 -15.888 -2.039 -8.681 1.00 11.12 C ATOM 1766 CD1 LEU A 111 -16.056 -2.308 -7.185 1.00 31.23 C ATOM 1767 CD2 LEU A 111 -17.267 -1.669 -9.217 1.00 23.04 C ATOM 0 H LEU A 111 -12.684 0.415 -9.144 1.00 52.35 H new ATOM 0 HA LEU A 111 -13.356 -2.164 -8.065 1.00 32.21 H new ATOM 0 HB2 LEU A 111 -14.906 -0.169 -8.172 1.00 61.14 H new ATOM 0 HB3 LEU A 111 -15.039 -0.451 -9.896 1.00 61.14 H new ATOM 0 HG LEU A 111 -15.511 -2.921 -9.199 1.00 11.12 H new ATOM 0 HD11 LEU A 111 -16.803 -3.088 -7.037 1.00 31.23 H new ATOM 0 HD12 LEU A 111 -15.104 -2.633 -6.765 1.00 31.23 H new ATOM 0 HD13 LEU A 111 -16.381 -1.395 -6.685 1.00 31.23 H new ATOM 0 HD21 LEU A 111 -17.968 -2.477 -9.007 1.00 23.04 H new ATOM 0 HD22 LEU A 111 -17.612 -0.755 -8.734 1.00 23.04 H new ATOM 0 HD23 LEU A 111 -17.208 -1.510 -10.294 1.00 23.04 H new ATOM 1779 N GLN A 112 -13.017 -3.647 -10.078 1.00 45.44 N ATOM 1780 CA GLN A 112 -12.939 -4.573 -11.190 1.00 54.02 C ATOM 1781 C GLN A 112 -14.343 -4.776 -11.777 1.00 22.35 C ATOM 1782 O GLN A 112 -15.344 -4.657 -11.062 1.00 54.02 O ATOM 1783 CB GLN A 112 -12.375 -5.902 -10.695 1.00 33.31 C ATOM 1784 CG GLN A 112 -10.975 -5.759 -10.085 1.00 73.23 C ATOM 1785 CD GLN A 112 -9.872 -5.457 -11.090 1.00 24.33 C ATOM 1786 OE1 GLN A 112 -9.487 -6.342 -11.849 1.00 50.21 O ATOM 1787 NE2 GLN A 112 -9.293 -4.273 -11.073 1.00 73.44 N ATOM 0 H GLN A 112 -12.912 -4.093 -9.167 1.00 45.44 H new ATOM 0 HA GLN A 112 -12.284 -4.175 -11.965 1.00 54.02 H new ATOM 0 HB2 GLN A 112 -13.050 -6.324 -9.951 1.00 33.31 H new ATOM 0 HB3 GLN A 112 -12.335 -6.607 -11.525 1.00 33.31 H new ATOM 0 HG2 GLN A 112 -10.997 -4.963 -9.340 1.00 73.23 H new ATOM 0 HG3 GLN A 112 -10.727 -6.681 -9.559 1.00 73.23 H new ATOM 0 HE21 GLN A 112 -9.628 -3.551 -10.435 1.00 73.44 H new ATOM 0 HE22 GLN A 112 -8.510 -4.079 -11.698 1.00 73.44 H new ATOM 1796 N ALA A 113 -14.419 -5.253 -13.020 1.00 45.44 N ATOM 1797 CA ALA A 113 -15.627 -5.786 -13.655 1.00 30.35 C ATOM 1798 C ALA A 113 -16.255 -6.915 -12.825 1.00 13.43 C ATOM 1799 O ALA A 113 -17.441 -7.214 -12.937 1.00 71.12 O ATOM 1800 CB ALA A 113 -15.254 -6.324 -15.036 1.00 43.10 C ATOM 0 H ALA A 113 -13.608 -5.280 -13.638 1.00 45.44 H new ATOM 0 HA ALA A 113 -16.359 -4.983 -13.733 1.00 30.35 H new ATOM 0 HB1 ALA A 113 -16.143 -6.725 -15.523 1.00 43.10 H new ATOM 0 HB2 ALA A 113 -14.842 -5.517 -15.642 1.00 43.10 H new ATOM 0 HB3 ALA A 113 -14.511 -7.114 -14.930 1.00 43.10 H new ATOM 1806 N ASP A 114 -15.456 -7.511 -11.941 1.00 73.21 N ATOM 1807 CA ASP A 114 -15.811 -8.562 -10.995 1.00 10.23 C ATOM 1808 C ASP A 114 -16.811 -8.069 -9.936 1.00 25.11 C ATOM 1809 O ASP A 114 -17.297 -8.855 -9.123 1.00 33.34 O ATOM 1810 CB ASP A 114 -14.508 -9.051 -10.333 1.00 13.43 C ATOM 1811 CG ASP A 114 -14.502 -10.550 -10.060 1.00 73.30 C ATOM 1812 OD1 ASP A 114 -14.848 -11.330 -10.978 1.00 31.32 O ATOM 1813 OD2 ASP A 114 -14.024 -10.970 -8.982 1.00 70.21 O ATOM 0 H ASP A 114 -14.473 -7.251 -11.864 1.00 73.21 H new ATOM 0 HA ASP A 114 -16.305 -9.377 -11.523 1.00 10.23 H new ATOM 0 HB2 ASP A 114 -13.665 -8.802 -10.977 1.00 13.43 H new ATOM 0 HB3 ASP A 114 -14.361 -8.516 -9.395 1.00 13.43 H new ATOM 1818 N GLY A 115 -17.098 -6.761 -9.914 1.00 61.33 N ATOM 1819 CA GLY A 115 -17.997 -6.104 -8.974 1.00 70.25 C ATOM 1820 C GLY A 115 -17.346 -5.838 -7.616 1.00 43.45 C ATOM 1821 O GLY A 115 -18.017 -5.405 -6.682 1.00 34.20 O ATOM 0 H GLY A 115 -16.689 -6.109 -10.583 1.00 61.33 H new ATOM 0 HA2 GLY A 115 -18.334 -5.160 -9.401 1.00 70.25 H new ATOM 0 HA3 GLY A 115 -18.882 -6.724 -8.832 1.00 70.25 H new ATOM 1825 N LYS A 116 -16.040 -6.093 -7.504 1.00 63.35 N ATOM 1826 CA LYS A 116 -15.238 -6.031 -6.292 1.00 12.22 C ATOM 1827 C LYS A 116 -14.093 -5.060 -6.519 1.00 53.52 C ATOM 1828 O LYS A 116 -13.580 -4.965 -7.635 1.00 61.43 O ATOM 1829 CB LYS A 116 -14.667 -7.426 -6.016 1.00 64.03 C ATOM 1830 CG LYS A 116 -15.591 -8.310 -5.173 1.00 3.41 C ATOM 1831 CD LYS A 116 -15.290 -9.797 -5.393 1.00 1.43 C ATOM 1832 CE LYS A 116 -16.207 -10.332 -6.496 1.00 24.43 C ATOM 1833 NZ LYS A 116 -15.784 -11.646 -7.011 1.00 2.52 N ATOM 0 H LYS A 116 -15.484 -6.366 -8.314 1.00 63.35 H new ATOM 0 HA LYS A 116 -15.843 -5.701 -5.448 1.00 12.22 H new ATOM 0 HB2 LYS A 116 -14.469 -7.923 -6.966 1.00 64.03 H new ATOM 0 HB3 LYS A 116 -13.710 -7.323 -5.505 1.00 64.03 H new ATOM 0 HG2 LYS A 116 -15.470 -8.064 -4.118 1.00 3.41 H new ATOM 0 HG3 LYS A 116 -16.630 -8.105 -5.431 1.00 3.41 H new ATOM 0 HD2 LYS A 116 -14.245 -9.932 -5.673 1.00 1.43 H new ATOM 0 HD3 LYS A 116 -15.447 -10.354 -4.469 1.00 1.43 H new ATOM 0 HE2 LYS A 116 -17.223 -10.410 -6.110 1.00 24.43 H new ATOM 0 HE3 LYS A 116 -16.232 -9.617 -7.318 1.00 24.43 H new ATOM 0 HZ1 LYS A 116 -16.611 -12.157 -7.379 1.00 2.52 H new ATOM 0 HZ2 LYS A 116 -15.091 -11.513 -7.775 1.00 2.52 H new ATOM 0 HZ3 LYS A 116 -15.351 -12.197 -6.243 1.00 2.52 H new ATOM 1847 N TRP A 117 -13.659 -4.379 -5.469 1.00 5.45 N ATOM 1848 CA TRP A 117 -12.473 -3.542 -5.497 1.00 72.01 C ATOM 1849 C TRP A 117 -11.256 -4.456 -5.378 1.00 32.02 C ATOM 1850 O TRP A 117 -11.325 -5.489 -4.700 1.00 25.22 O ATOM 1851 CB TRP A 117 -12.554 -2.524 -4.354 1.00 43.40 C ATOM 1852 CG TRP A 117 -13.800 -1.681 -4.344 1.00 50.34 C ATOM 1853 CD1 TRP A 117 -14.964 -2.006 -3.731 1.00 62.44 C ATOM 1854 CD2 TRP A 117 -14.046 -0.394 -4.999 1.00 43.24 C ATOM 1855 NE1 TRP A 117 -15.892 -1.016 -3.966 1.00 1.50 N ATOM 1856 CE2 TRP A 117 -15.394 -0.007 -4.747 1.00 4.21 C ATOM 1857 CE3 TRP A 117 -13.290 0.482 -5.804 1.00 71.01 C ATOM 1858 CZ2 TRP A 117 -15.978 1.155 -5.273 1.00 51.45 C ATOM 1859 CZ3 TRP A 117 -13.861 1.657 -6.334 1.00 30.10 C ATOM 1860 CH2 TRP A 117 -15.198 2.003 -6.074 1.00 34.43 C ATOM 0 H TRP A 117 -14.128 -4.394 -4.563 1.00 5.45 H new ATOM 0 HA TRP A 117 -12.393 -2.978 -6.427 1.00 72.01 H new ATOM 0 HB2 TRP A 117 -12.486 -3.058 -3.406 1.00 43.40 H new ATOM 0 HB3 TRP A 117 -11.688 -1.865 -4.411 1.00 43.40 H new ATOM 0 HD1 TRP A 117 -15.137 -2.900 -3.150 1.00 62.44 H new ATOM 0 HE1 TRP A 117 -16.844 -1.032 -3.599 1.00 1.50 H new ATOM 0 HE3 TRP A 117 -12.257 0.249 -6.018 1.00 71.01 H new ATOM 0 HZ2 TRP A 117 -17.011 1.393 -5.065 1.00 51.45 H new ATOM 0 HZ3 TRP A 117 -13.258 2.305 -6.953 1.00 30.10 H new ATOM 0 HH2 TRP A 117 -15.619 2.909 -6.485 1.00 34.43 H new ATOM 1871 N TYR A 118 -10.159 -4.085 -6.036 1.00 70.31 N ATOM 1872 CA TYR A 118 -8.841 -4.691 -5.891 1.00 5.34 C ATOM 1873 C TYR A 118 -7.843 -3.532 -5.749 1.00 13.25 C ATOM 1874 O TYR A 118 -8.063 -2.463 -6.334 1.00 61.51 O ATOM 1875 CB TYR A 118 -8.512 -5.608 -7.094 1.00 63.11 C ATOM 1876 CG TYR A 118 -9.116 -7.005 -6.994 1.00 23.44 C ATOM 1877 CD1 TYR A 118 -10.511 -7.170 -7.069 1.00 45.33 C ATOM 1878 CD2 TYR A 118 -8.305 -8.136 -6.752 1.00 45.14 C ATOM 1879 CE1 TYR A 118 -11.105 -8.403 -6.777 1.00 4.14 C ATOM 1880 CE2 TYR A 118 -8.894 -9.368 -6.403 1.00 23.24 C ATOM 1881 CZ TYR A 118 -10.303 -9.484 -6.361 1.00 14.55 C ATOM 1882 OH TYR A 118 -10.923 -10.581 -5.852 1.00 45.30 O ATOM 0 H TYR A 118 -10.167 -3.322 -6.713 1.00 70.31 H new ATOM 0 HA TYR A 118 -8.794 -5.337 -5.014 1.00 5.34 H new ATOM 0 HB2 TYR A 118 -8.870 -5.133 -8.008 1.00 63.11 H new ATOM 0 HB3 TYR A 118 -7.429 -5.697 -7.184 1.00 63.11 H new ATOM 0 HD1 TYR A 118 -11.132 -6.334 -7.356 1.00 45.33 H new ATOM 0 HD2 TYR A 118 -7.231 -8.056 -6.835 1.00 45.14 H new ATOM 0 HE1 TYR A 118 -12.174 -8.525 -6.870 1.00 4.14 H new ATOM 0 HE2 TYR A 118 -8.272 -10.219 -6.169 1.00 23.24 H new ATOM 0 HH TYR A 118 -10.252 -11.251 -5.606 1.00 45.30 H new ATOM 1892 N VAL A 119 -6.753 -3.714 -4.991 1.00 30.35 N ATOM 1893 CA VAL A 119 -5.673 -2.734 -4.990 1.00 1.43 C ATOM 1894 C VAL A 119 -4.957 -2.890 -6.335 1.00 45.30 C ATOM 1895 O VAL A 119 -4.840 -4.005 -6.846 1.00 13.34 O ATOM 1896 CB VAL A 119 -4.736 -2.959 -3.785 1.00 33.53 C ATOM 1897 CG1 VAL A 119 -3.722 -1.841 -3.574 1.00 72.21 C ATOM 1898 CG2 VAL A 119 -5.509 -3.185 -2.481 1.00 53.23 C ATOM 0 H VAL A 119 -6.602 -4.518 -4.382 1.00 30.35 H new ATOM 0 HA VAL A 119 -6.043 -1.715 -4.882 1.00 1.43 H new ATOM 0 HB VAL A 119 -4.185 -3.863 -4.042 1.00 33.53 H new ATOM 0 HG11 VAL A 119 -3.100 -2.072 -2.709 1.00 72.21 H new ATOM 0 HG12 VAL A 119 -3.092 -1.749 -4.459 1.00 72.21 H new ATOM 0 HG13 VAL A 119 -4.247 -0.901 -3.403 1.00 72.21 H new ATOM 0 HG21 VAL A 119 -4.805 -3.338 -1.663 1.00 53.23 H new ATOM 0 HG22 VAL A 119 -6.128 -2.313 -2.269 1.00 53.23 H new ATOM 0 HG23 VAL A 119 -6.145 -4.065 -2.583 1.00 53.23 H new ATOM 1908 N VAL A 120 -4.483 -1.795 -6.908 1.00 2.32 N ATOM 1909 CA VAL A 120 -3.795 -1.758 -8.205 1.00 12.01 C ATOM 1910 C VAL A 120 -2.520 -0.926 -8.136 1.00 33.54 C ATOM 1911 O VAL A 120 -1.865 -0.737 -9.158 1.00 52.21 O ATOM 1912 CB VAL A 120 -4.762 -1.337 -9.340 1.00 70.50 C ATOM 1913 CG1 VAL A 120 -5.921 -2.328 -9.522 1.00 53.31 C ATOM 1914 CG2 VAL A 120 -5.352 0.061 -9.156 1.00 22.12 C ATOM 0 H VAL A 120 -4.565 -0.875 -6.476 1.00 2.32 H new ATOM 0 HA VAL A 120 -3.469 -2.768 -8.455 1.00 12.01 H new ATOM 0 HB VAL A 120 -4.135 -1.334 -10.232 1.00 70.50 H new ATOM 0 HG11 VAL A 120 -6.569 -1.986 -10.329 1.00 53.31 H new ATOM 0 HG12 VAL A 120 -5.523 -3.312 -9.768 1.00 53.31 H new ATOM 0 HG13 VAL A 120 -6.495 -2.390 -8.598 1.00 53.31 H new ATOM 0 HG21 VAL A 120 -6.019 0.287 -9.988 1.00 22.12 H new ATOM 0 HG22 VAL A 120 -5.912 0.100 -8.222 1.00 22.12 H new ATOM 0 HG23 VAL A 120 -4.547 0.795 -9.127 1.00 22.12 H new ATOM 1924 N ASP A 121 -2.113 -0.530 -6.928 1.00 63.44 N ATOM 1925 CA ASP A 121 -0.773 0.001 -6.705 1.00 63.14 C ATOM 1926 C ASP A 121 -0.310 -0.230 -5.293 1.00 31.14 C ATOM 1927 O ASP A 121 -1.145 -0.349 -4.396 1.00 4.05 O ATOM 1928 CB ASP A 121 -0.684 1.511 -6.914 1.00 52.30 C ATOM 1929 CG ASP A 121 0.618 1.930 -7.582 1.00 11.23 C ATOM 1930 OD1 ASP A 121 1.437 1.030 -7.885 1.00 4.41 O ATOM 1931 OD2 ASP A 121 0.784 3.149 -7.793 1.00 64.24 O ATOM 0 H ASP A 121 -2.695 -0.568 -6.091 1.00 63.44 H new ATOM 0 HA ASP A 121 -0.155 -0.526 -7.431 1.00 63.14 H new ATOM 0 HB2 ASP A 121 -1.525 1.840 -7.525 1.00 52.30 H new ATOM 0 HB3 ASP A 121 -0.773 2.014 -5.951 1.00 52.30 H new ATOM 1936 N CYS A 122 1.002 -0.202 -5.075 1.00 52.10 N ATOM 1937 CA CYS A 122 1.579 -0.191 -3.745 1.00 65.32 C ATOM 1938 C CYS A 122 3.068 0.145 -3.883 1.00 25.13 C ATOM 1939 O CYS A 122 3.793 -0.553 -4.596 1.00 53.10 O ATOM 1940 CB CYS A 122 1.318 -1.545 -3.060 1.00 64.34 C ATOM 1941 SG CYS A 122 0.857 -1.320 -1.328 1.00 24.51 S ATOM 0 H CYS A 122 1.694 -0.186 -5.824 1.00 52.10 H new ATOM 0 HA CYS A 122 1.121 0.566 -3.108 1.00 65.32 H new ATOM 0 HB2 CYS A 122 0.523 -2.074 -3.585 1.00 64.34 H new ATOM 0 HB3 CYS A 122 2.211 -2.166 -3.124 1.00 64.34 H new ATOM 0 HG CYS A 122 0.066 -2.284 -0.961 1.00 24.51 H new ATOM 1947 N TYR A 123 3.495 1.214 -3.219 1.00 14.31 N ATOM 1948 CA TYR A 123 4.852 1.723 -3.029 1.00 31.43 C ATOM 1949 C TYR A 123 5.023 1.819 -1.514 1.00 63.23 C ATOM 1950 O TYR A 123 4.038 2.099 -0.824 1.00 42.12 O ATOM 1951 CB TYR A 123 4.920 3.129 -3.646 1.00 53.21 C ATOM 1952 CG TYR A 123 6.255 3.843 -3.720 1.00 25.31 C ATOM 1953 CD1 TYR A 123 7.243 3.397 -4.617 1.00 3.01 C ATOM 1954 CD2 TYR A 123 6.462 5.036 -2.996 1.00 34.33 C ATOM 1955 CE1 TYR A 123 8.419 4.146 -4.803 1.00 53.40 C ATOM 1956 CE2 TYR A 123 7.629 5.797 -3.191 1.00 24.15 C ATOM 1957 CZ TYR A 123 8.609 5.367 -4.114 1.00 3.12 C ATOM 1958 OH TYR A 123 9.716 6.126 -4.367 1.00 1.15 O ATOM 0 H TYR A 123 2.821 1.815 -2.746 1.00 14.31 H new ATOM 0 HA TYR A 123 5.619 1.098 -3.486 1.00 31.43 H new ATOM 0 HB2 TYR A 123 4.528 3.061 -4.661 1.00 53.21 H new ATOM 0 HB3 TYR A 123 4.238 3.767 -3.084 1.00 53.21 H new ATOM 0 HD1 TYR A 123 7.098 2.477 -5.164 1.00 3.01 H new ATOM 0 HD2 TYR A 123 5.719 5.368 -2.286 1.00 34.33 H new ATOM 0 HE1 TYR A 123 9.183 3.786 -5.477 1.00 53.40 H new ATOM 0 HE2 TYR A 123 7.776 6.711 -2.635 1.00 24.15 H new ATOM 0 HH TYR A 123 9.670 6.955 -3.847 1.00 1.15 H new ATOM 1968 N THR A 124 6.212 1.606 -0.963 1.00 45.22 N ATOM 1969 CA THR A 124 6.460 1.814 0.462 1.00 41.02 C ATOM 1970 C THR A 124 7.939 2.105 0.640 1.00 10.35 C ATOM 1971 O THR A 124 8.780 1.500 -0.038 1.00 13.44 O ATOM 1972 CB THR A 124 6.023 0.604 1.323 1.00 72.31 C ATOM 1973 OG1 THR A 124 6.596 0.617 2.614 1.00 44.20 O ATOM 1974 CG2 THR A 124 6.354 -0.752 0.704 1.00 31.32 C ATOM 0 H THR A 124 7.028 1.286 -1.486 1.00 45.22 H new ATOM 0 HA THR A 124 5.860 2.655 0.809 1.00 41.02 H new ATOM 0 HB THR A 124 4.941 0.720 1.380 1.00 72.31 H new ATOM 0 HG1 THR A 124 6.288 -0.166 3.117 1.00 44.20 H new ATOM 0 HG21 THR A 124 6.016 -1.547 1.368 1.00 31.32 H new ATOM 0 HG22 THR A 124 5.851 -0.845 -0.259 1.00 31.32 H new ATOM 0 HG23 THR A 124 7.431 -0.833 0.560 1.00 31.32 H new ATOM 1982 N GLY A 125 8.266 2.993 1.575 1.00 31.54 N ATOM 1983 CA GLY A 125 9.636 3.343 1.902 1.00 52.33 C ATOM 1984 C GLY A 125 10.535 2.137 2.170 1.00 44.41 C ATOM 1985 O GLY A 125 11.716 2.189 1.823 1.00 2.03 O ATOM 0 H GLY A 125 7.574 3.494 2.132 1.00 31.54 H new ATOM 0 HA2 GLY A 125 10.058 3.924 1.082 1.00 52.33 H new ATOM 0 HA3 GLY A 125 9.636 3.987 2.782 1.00 52.33 H new ATOM 1989 N TRP A 126 9.978 1.024 2.673 1.00 51.23 N ATOM 1990 CA TRP A 126 10.702 -0.231 2.873 1.00 53.31 C ATOM 1991 C TRP A 126 11.532 -0.643 1.655 1.00 4.13 C ATOM 1992 O TRP A 126 12.616 -1.211 1.804 1.00 73.43 O ATOM 1993 CB TRP A 126 9.732 -1.368 3.196 1.00 31.12 C ATOM 1994 CG TRP A 126 9.333 -1.471 4.628 1.00 31.22 C ATOM 1995 CD1 TRP A 126 8.067 -1.608 5.067 1.00 1.35 C ATOM 1996 CD2 TRP A 126 10.183 -1.488 5.819 1.00 12.25 C ATOM 1997 NE1 TRP A 126 8.080 -1.751 6.437 1.00 13.12 N ATOM 1998 CE2 TRP A 126 9.350 -1.664 6.963 1.00 13.34 C ATOM 1999 CE3 TRP A 126 11.567 -1.349 6.059 1.00 0.42 C ATOM 2000 CZ2 TRP A 126 9.853 -1.707 8.274 1.00 13.45 C ATOM 2001 CZ3 TRP A 126 12.074 -1.332 7.371 1.00 71.34 C ATOM 2002 CH2 TRP A 126 11.228 -1.502 8.484 1.00 41.34 C ATOM 0 H TRP A 126 8.999 0.975 2.954 1.00 51.23 H new ATOM 0 HA TRP A 126 11.381 -0.052 3.707 1.00 53.31 H new ATOM 0 HB2 TRP A 126 8.833 -1.240 2.593 1.00 31.12 H new ATOM 0 HB3 TRP A 126 10.188 -2.311 2.893 1.00 31.12 H new ATOM 0 HD1 TRP A 126 7.184 -1.606 4.445 1.00 1.35 H new ATOM 0 HE1 TRP A 126 7.243 -1.904 6.999 1.00 13.12 H new ATOM 0 HE3 TRP A 126 12.246 -1.254 5.224 1.00 0.42 H new ATOM 0 HZ2 TRP A 126 9.193 -1.895 9.108 1.00 13.45 H new ATOM 0 HZ3 TRP A 126 13.132 -1.186 7.528 1.00 71.34 H new ATOM 0 HH2 TRP A 126 11.630 -1.475 9.486 1.00 41.34 H new ATOM 2013 N TYR A 127 11.013 -0.395 0.450 1.00 45.24 N ATOM 2014 CA TYR A 127 11.622 -0.836 -0.795 1.00 62.51 C ATOM 2015 C TYR A 127 11.943 0.349 -1.700 1.00 72.32 C ATOM 2016 O TYR A 127 12.090 0.149 -2.906 1.00 41.43 O ATOM 2017 CB TYR A 127 10.773 -1.907 -1.491 1.00 72.52 C ATOM 2018 CG TYR A 127 10.228 -2.975 -0.572 1.00 32.41 C ATOM 2019 CD1 TYR A 127 11.095 -3.822 0.144 1.00 11.12 C ATOM 2020 CD2 TYR A 127 8.842 -3.057 -0.373 1.00 61.54 C ATOM 2021 CE1 TYR A 127 10.574 -4.745 1.066 1.00 73.31 C ATOM 2022 CE2 TYR A 127 8.317 -3.942 0.575 1.00 3.23 C ATOM 2023 CZ TYR A 127 9.182 -4.796 1.296 1.00 1.45 C ATOM 2024 OH TYR A 127 8.690 -5.660 2.220 1.00 21.32 O ATOM 0 H TYR A 127 10.146 0.125 0.316 1.00 45.24 H new ATOM 0 HA TYR A 127 12.573 -1.313 -0.556 1.00 62.51 H new ATOM 0 HB2 TYR A 127 9.938 -1.419 -1.994 1.00 72.52 H new ATOM 0 HB3 TYR A 127 11.376 -2.384 -2.263 1.00 72.52 H new ATOM 0 HD1 TYR A 127 12.161 -3.762 -0.016 1.00 11.12 H new ATOM 0 HD2 TYR A 127 8.177 -2.435 -0.954 1.00 61.54 H new ATOM 0 HE1 TYR A 127 11.236 -5.413 1.597 1.00 73.31 H new ATOM 0 HE2 TYR A 127 7.253 -3.972 0.755 1.00 3.23 H new ATOM 0 HH TYR A 127 9.431 -6.138 2.648 1.00 21.32 H new ATOM 2034 N GLY A 128 12.058 1.556 -1.141 1.00 71.42 N ATOM 2035 CA GLY A 128 12.326 2.771 -1.894 1.00 72.43 C ATOM 2036 C GLY A 128 13.737 2.836 -2.460 1.00 4.05 C ATOM 2037 O GLY A 128 14.547 1.913 -2.295 1.00 4.45 O ATOM 0 H GLY A 128 11.965 1.713 -0.137 1.00 71.42 H new ATOM 0 HA2 GLY A 128 11.611 2.846 -2.713 1.00 72.43 H new ATOM 0 HA3 GLY A 128 12.162 3.633 -1.247 1.00 72.43 H new ATOM 2041 N TYR A 129 14.035 3.973 -3.088 1.00 42.01 N ATOM 2042 CA TYR A 129 15.367 4.427 -3.468 1.00 24.34 C ATOM 2043 C TYR A 129 16.191 4.698 -2.189 1.00 73.24 C ATOM 2044 O TYR A 129 16.480 5.850 -1.870 1.00 42.01 O ATOM 2045 CB TYR A 129 15.246 5.677 -4.348 1.00 30.23 C ATOM 2046 CG TYR A 129 14.988 5.406 -5.818 1.00 70.53 C ATOM 2047 CD1 TYR A 129 13.732 4.978 -6.280 1.00 62.43 C ATOM 2048 CD2 TYR A 129 16.018 5.625 -6.744 1.00 23.45 C ATOM 2049 CE1 TYR A 129 13.465 4.878 -7.654 1.00 3.42 C ATOM 2050 CE2 TYR A 129 15.762 5.539 -8.122 1.00 22.32 C ATOM 2051 CZ TYR A 129 14.472 5.199 -8.584 1.00 65.52 C ATOM 2052 OH TYR A 129 14.197 5.150 -9.913 1.00 73.10 O ATOM 0 H TYR A 129 13.310 4.638 -3.359 1.00 42.01 H new ATOM 0 HA TYR A 129 15.884 3.662 -4.047 1.00 24.34 H new ATOM 0 HB2 TYR A 129 14.438 6.298 -3.962 1.00 30.23 H new ATOM 0 HB3 TYR A 129 16.164 6.257 -4.257 1.00 30.23 H new ATOM 0 HD1 TYR A 129 12.961 4.722 -5.568 1.00 62.43 H new ATOM 0 HD2 TYR A 129 17.013 5.861 -6.396 1.00 23.45 H new ATOM 0 HE1 TYR A 129 12.492 4.557 -7.996 1.00 3.42 H new ATOM 0 HE2 TYR A 129 16.554 5.733 -8.830 1.00 22.32 H new ATOM 0 HH TYR A 129 14.742 5.814 -10.384 1.00 73.10 H new ATOM 2062 N ASP A 130 16.554 3.659 -1.436 1.00 32.23 N ATOM 2063 CA ASP A 130 17.340 3.761 -0.207 1.00 41.44 C ATOM 2064 C ASP A 130 18.349 2.629 -0.122 1.00 34.21 C ATOM 2065 O ASP A 130 19.528 2.889 0.118 1.00 71.54 O ATOM 2066 CB ASP A 130 16.474 3.750 1.058 1.00 24.23 C ATOM 2067 CG ASP A 130 17.388 3.900 2.278 1.00 44.30 C ATOM 2068 OD1 ASP A 130 18.101 4.928 2.350 1.00 54.30 O ATOM 2069 OD2 ASP A 130 17.464 2.978 3.122 1.00 41.14 O ATOM 0 H ASP A 130 16.303 2.699 -1.671 1.00 32.23 H new ATOM 0 HA ASP A 130 17.852 4.722 -0.255 1.00 41.44 H new ATOM 0 HB2 ASP A 130 15.749 4.563 1.027 1.00 24.23 H new ATOM 0 HB3 ASP A 130 15.908 2.820 1.121 1.00 24.23 H new ATOM 2074 N LEU A 131 17.927 1.383 -0.368 1.00 73.53 N ATOM 2075 CA LEU A 131 18.805 0.239 -0.163 1.00 42.41 C ATOM 2076 C LEU A 131 19.119 -0.423 -1.491 1.00 44.20 C ATOM 2077 O LEU A 131 18.229 -0.513 -2.345 1.00 30.12 O ATOM 2078 CB LEU A 131 18.160 -0.779 0.781 1.00 52.01 C ATOM 2079 CG LEU A 131 18.267 -0.420 2.271 1.00 60.54 C ATOM 2080 CD1 LEU A 131 17.682 -1.571 3.092 1.00 63.51 C ATOM 2081 CD2 LEU A 131 19.710 -0.140 2.711 1.00 32.54 C ATOM 0 H LEU A 131 16.993 1.149 -0.705 1.00 73.53 H new ATOM 0 HA LEU A 131 19.730 0.597 0.289 1.00 42.41 H new ATOM 0 HB2 LEU A 131 17.107 -0.882 0.519 1.00 52.01 H new ATOM 0 HB3 LEU A 131 18.625 -1.751 0.620 1.00 52.01 H new ATOM 0 HG LEU A 131 17.707 0.500 2.439 1.00 60.54 H new ATOM 0 HD11 LEU A 131 17.750 -1.332 4.153 1.00 63.51 H new ATOM 0 HD12 LEU A 131 16.637 -1.718 2.819 1.00 63.51 H new ATOM 0 HD13 LEU A 131 18.242 -2.484 2.889 1.00 63.51 H new ATOM 0 HD21 LEU A 131 19.725 0.108 3.772 1.00 32.54 H new ATOM 0 HD22 LEU A 131 20.322 -1.025 2.537 1.00 32.54 H new ATOM 0 HD23 LEU A 131 20.110 0.696 2.137 1.00 32.54 H new ATOM 2093 N PRO A 132 20.343 -0.939 -1.670 1.00 34.21 N ATOM 2094 CA PRO A 132 20.743 -1.541 -2.918 1.00 52.02 C ATOM 2095 C PRO A 132 20.230 -2.976 -3.023 1.00 54.23 C ATOM 2096 O PRO A 132 19.816 -3.608 -2.048 1.00 72.34 O ATOM 2097 CB PRO A 132 22.273 -1.479 -2.903 1.00 14.02 C ATOM 2098 CG PRO A 132 22.617 -1.637 -1.423 1.00 73.11 C ATOM 2099 CD PRO A 132 21.458 -0.916 -0.733 1.00 65.43 C ATOM 0 HA PRO A 132 20.329 -1.024 -3.784 1.00 52.02 H new ATOM 0 HB2 PRO A 132 22.714 -2.273 -3.505 1.00 14.02 H new ATOM 0 HB3 PRO A 132 22.641 -0.534 -3.303 1.00 14.02 H new ATOM 0 HG2 PRO A 132 22.675 -2.685 -1.130 1.00 73.11 H new ATOM 0 HG3 PRO A 132 23.578 -1.185 -1.180 1.00 73.11 H new ATOM 0 HD2 PRO A 132 21.192 -1.413 0.200 1.00 65.43 H new ATOM 0 HD3 PRO A 132 21.733 0.108 -0.481 1.00 65.43 H new ATOM 2107 N ILE A 133 20.400 -3.534 -4.217 1.00 44.22 N ATOM 2108 CA ILE A 133 20.161 -4.919 -4.606 1.00 62.42 C ATOM 2109 C ILE A 133 20.803 -5.942 -3.652 1.00 31.52 C ATOM 2110 O ILE A 133 20.398 -7.110 -3.623 1.00 12.11 O ATOM 2111 CB ILE A 133 20.667 -5.040 -6.060 1.00 45.14 C ATOM 2112 CG1 ILE A 133 20.026 -6.209 -6.816 1.00 53.42 C ATOM 2113 CG2 ILE A 133 22.196 -5.116 -6.113 1.00 74.14 C ATOM 2114 CD1 ILE A 133 20.202 -6.078 -8.337 1.00 3.44 C ATOM 0 H ILE A 133 20.738 -2.981 -5.005 1.00 44.22 H new ATOM 0 HA ILE A 133 19.100 -5.160 -4.542 1.00 62.42 H new ATOM 0 HB ILE A 133 20.354 -4.130 -6.573 1.00 45.14 H new ATOM 0 HG12 ILE A 133 20.470 -7.146 -6.479 1.00 53.42 H new ATOM 0 HG13 ILE A 133 18.964 -6.256 -6.577 1.00 53.42 H new ATOM 0 HG21 ILE A 133 22.520 -5.201 -7.150 1.00 74.14 H new ATOM 0 HG22 ILE A 133 22.621 -4.214 -5.672 1.00 74.14 H new ATOM 0 HG23 ILE A 133 22.537 -5.988 -5.554 1.00 74.14 H new ATOM 0 HD11 ILE A 133 19.732 -6.928 -8.832 1.00 3.44 H new ATOM 0 HD12 ILE A 133 19.734 -5.155 -8.679 1.00 3.44 H new ATOM 0 HD13 ILE A 133 21.264 -6.058 -8.580 1.00 3.44 H new ATOM 2126 N GLY A 134 21.802 -5.521 -2.881 1.00 2.12 N ATOM 2127 CA GLY A 134 22.517 -6.348 -1.929 1.00 54.44 C ATOM 2128 C GLY A 134 21.788 -6.397 -0.597 1.00 1.35 C ATOM 2129 O GLY A 134 21.538 -7.486 -0.077 1.00 13.33 O ATOM 0 H GLY A 134 22.143 -4.560 -2.907 1.00 2.12 H new ATOM 0 HA2 GLY A 134 22.624 -7.357 -2.327 1.00 54.44 H new ATOM 0 HA3 GLY A 134 23.523 -5.954 -1.783 1.00 54.44 H new ATOM 2133 N GLU A 135 21.445 -5.239 -0.039 1.00 14.15 N ATOM 2134 CA GLU A 135 20.864 -5.111 1.284 1.00 32.54 C ATOM 2135 C GLU A 135 19.372 -5.459 1.298 1.00 52.11 C ATOM 2136 O GLU A 135 18.873 -5.850 2.350 1.00 33.21 O ATOM 2137 CB GLU A 135 21.150 -3.693 1.806 1.00 11.43 C ATOM 2138 CG GLU A 135 21.562 -3.728 3.282 1.00 61.54 C ATOM 2139 CD GLU A 135 22.261 -2.448 3.760 1.00 11.21 C ATOM 2140 OE1 GLU A 135 23.249 -2.033 3.111 1.00 4.13 O ATOM 2141 OE2 GLU A 135 21.926 -1.936 4.857 1.00 54.00 O ATOM 0 H GLU A 135 21.569 -4.343 -0.511 1.00 14.15 H new ATOM 0 HA GLU A 135 21.326 -5.834 1.956 1.00 32.54 H new ATOM 0 HB2 GLU A 135 21.942 -3.236 1.214 1.00 11.43 H new ATOM 0 HB3 GLU A 135 20.263 -3.071 1.686 1.00 11.43 H new ATOM 0 HG2 GLU A 135 20.675 -3.897 3.893 1.00 61.54 H new ATOM 0 HG3 GLU A 135 22.227 -4.576 3.444 1.00 61.54 H new ATOM 2148 N LEU A 136 18.694 -5.445 0.136 1.00 14.04 N ATOM 2149 CA LEU A 136 17.244 -5.644 -0.013 1.00 15.14 C ATOM 2150 C LEU A 136 16.753 -6.801 0.850 1.00 23.53 C ATOM 2151 O LEU A 136 15.816 -6.684 1.637 1.00 24.41 O ATOM 2152 CB LEU A 136 16.931 -5.985 -1.491 1.00 51.04 C ATOM 2153 CG LEU A 136 15.493 -6.519 -1.724 1.00 73.42 C ATOM 2154 CD1 LEU A 136 14.388 -5.535 -1.318 1.00 25.52 C ATOM 2155 CD2 LEU A 136 15.292 -6.970 -3.174 1.00 52.10 C ATOM 0 H LEU A 136 19.160 -5.289 -0.758 1.00 14.04 H new ATOM 0 HA LEU A 136 16.743 -4.728 0.299 1.00 15.14 H new ATOM 0 HB2 LEU A 136 17.079 -5.092 -2.098 1.00 51.04 H new ATOM 0 HB3 LEU A 136 17.645 -6.730 -1.840 1.00 51.04 H new ATOM 0 HG LEU A 136 15.399 -7.380 -1.062 1.00 73.42 H new ATOM 0 HD11 LEU A 136 13.413 -5.982 -1.512 1.00 25.52 H new ATOM 0 HD12 LEU A 136 14.477 -5.306 -0.256 1.00 25.52 H new ATOM 0 HD13 LEU A 136 14.487 -4.617 -1.897 1.00 25.52 H new ATOM 0 HD21 LEU A 136 14.274 -7.338 -3.303 1.00 52.10 H new ATOM 0 HD22 LEU A 136 15.460 -6.127 -3.844 1.00 52.10 H new ATOM 0 HD23 LEU A 136 15.998 -7.766 -3.409 1.00 52.10 H new ATOM 2167 N LYS A 137 17.377 -7.959 0.646 1.00 13.03 N ATOM 2168 CA LYS A 137 17.041 -9.210 1.298 1.00 20.31 C ATOM 2169 C LYS A 137 16.939 -9.089 2.815 1.00 63.52 C ATOM 2170 O LYS A 137 16.012 -9.633 3.410 1.00 13.12 O ATOM 2171 CB LYS A 137 17.992 -10.296 0.862 1.00 31.45 C ATOM 2172 CG LYS A 137 19.438 -9.853 0.753 1.00 32.41 C ATOM 2173 CD LYS A 137 20.285 -11.104 0.861 1.00 40.02 C ATOM 2174 CE LYS A 137 21.468 -11.074 -0.095 1.00 31.13 C ATOM 2175 NZ LYS A 137 22.346 -12.242 0.120 1.00 14.11 N ATOM 0 H LYS A 137 18.159 -8.049 -0.003 1.00 13.03 H new ATOM 0 HA LYS A 137 16.038 -9.490 0.975 1.00 20.31 H new ATOM 0 HB2 LYS A 137 17.930 -11.123 1.570 1.00 31.45 H new ATOM 0 HB3 LYS A 137 17.668 -10.680 -0.105 1.00 31.45 H new ATOM 0 HG2 LYS A 137 19.617 -9.345 -0.195 1.00 32.41 H new ATOM 0 HG3 LYS A 137 19.687 -9.147 1.545 1.00 32.41 H new ATOM 0 HD2 LYS A 137 20.647 -11.210 1.884 1.00 40.02 H new ATOM 0 HD3 LYS A 137 19.669 -11.978 0.649 1.00 40.02 H new ATOM 0 HE2 LYS A 137 21.109 -11.068 -1.124 1.00 31.13 H new ATOM 0 HE3 LYS A 137 22.036 -10.155 0.051 1.00 31.13 H new ATOM 0 HZ1 LYS A 137 23.146 -12.201 -0.543 1.00 14.11 H new ATOM 0 HZ2 LYS A 137 22.704 -12.232 1.096 1.00 14.11 H new ATOM 0 HZ3 LYS A 137 21.807 -13.116 -0.042 1.00 14.11 H new ATOM 2189 N GLN A 138 17.864 -8.367 3.436 1.00 35.42 N ATOM 2190 CA GLN A 138 17.875 -8.180 4.875 1.00 4.13 C ATOM 2191 C GLN A 138 16.569 -7.536 5.350 1.00 40.20 C ATOM 2192 O GLN A 138 16.004 -7.979 6.351 1.00 3.35 O ATOM 2193 CB GLN A 138 19.111 -7.359 5.279 1.00 61.50 C ATOM 2194 CG GLN A 138 19.267 -7.208 6.796 1.00 0.01 C ATOM 2195 CD GLN A 138 19.270 -8.553 7.519 1.00 15.13 C ATOM 2196 OE1 GLN A 138 20.310 -9.174 7.708 1.00 23.51 O ATOM 2197 NE2 GLN A 138 18.110 -9.033 7.923 1.00 73.43 N ATOM 0 H GLN A 138 18.628 -7.895 2.952 1.00 35.42 H new ATOM 0 HA GLN A 138 17.941 -9.150 5.367 1.00 4.13 H new ATOM 0 HB2 GLN A 138 20.004 -7.836 4.874 1.00 61.50 H new ATOM 0 HB3 GLN A 138 19.045 -6.369 4.827 1.00 61.50 H new ATOM 0 HG2 GLN A 138 20.196 -6.681 7.012 1.00 0.01 H new ATOM 0 HG3 GLN A 138 18.454 -6.593 7.182 1.00 0.01 H new ATOM 0 HE21 GLN A 138 17.254 -8.504 7.758 1.00 73.43 H new ATOM 0 HE22 GLN A 138 18.069 -9.933 8.400 1.00 73.43 H new ATOM 2206 N THR A 139 16.059 -6.539 4.629 1.00 54.40 N ATOM 2207 CA THR A 139 14.808 -5.872 4.964 1.00 2.41 C ATOM 2208 C THR A 139 13.655 -6.882 4.955 1.00 14.42 C ATOM 2209 O THR A 139 12.790 -6.845 5.826 1.00 51.12 O ATOM 2210 CB THR A 139 14.572 -4.734 3.953 1.00 63.42 C ATOM 2211 OG1 THR A 139 15.789 -4.070 3.670 1.00 62.20 O ATOM 2212 CG2 THR A 139 13.549 -3.711 4.443 1.00 74.12 C ATOM 0 H THR A 139 16.508 -6.171 3.790 1.00 54.40 H new ATOM 0 HA THR A 139 14.860 -5.447 5.966 1.00 2.41 H new ATOM 0 HB THR A 139 14.173 -5.199 3.051 1.00 63.42 H new ATOM 0 HG1 THR A 139 15.765 -3.720 2.755 1.00 62.20 H new ATOM 0 HG21 THR A 139 13.423 -2.933 3.690 1.00 74.12 H new ATOM 0 HG22 THR A 139 12.594 -4.206 4.616 1.00 74.12 H new ATOM 0 HG23 THR A 139 13.899 -3.263 5.373 1.00 74.12 H new ATOM 2220 N ILE A 140 13.658 -7.830 4.013 1.00 22.41 N ATOM 2221 CA ILE A 140 12.589 -8.811 3.865 1.00 3.32 C ATOM 2222 C ILE A 140 12.518 -9.678 5.129 1.00 63.00 C ATOM 2223 O ILE A 140 11.418 -9.953 5.610 1.00 4.23 O ATOM 2224 CB ILE A 140 12.743 -9.651 2.573 1.00 71.24 C ATOM 2225 CG1 ILE A 140 13.136 -8.791 1.343 1.00 23.53 C ATOM 2226 CG2 ILE A 140 11.431 -10.410 2.313 1.00 11.43 C ATOM 2227 CD1 ILE A 140 13.121 -9.529 -0.003 1.00 61.42 C ATOM 0 H ILE A 140 14.408 -7.935 3.330 1.00 22.41 H new ATOM 0 HA ILE A 140 11.640 -8.286 3.755 1.00 3.32 H new ATOM 0 HB ILE A 140 13.561 -10.356 2.722 1.00 71.24 H new ATOM 0 HG12 ILE A 140 12.455 -7.942 1.281 1.00 23.53 H new ATOM 0 HG13 ILE A 140 14.135 -8.387 1.507 1.00 23.53 H new ATOM 0 HG21 ILE A 140 11.529 -11.005 1.405 1.00 11.43 H new ATOM 0 HG22 ILE A 140 11.218 -11.067 3.156 1.00 11.43 H new ATOM 0 HG23 ILE A 140 10.616 -9.697 2.193 1.00 11.43 H new ATOM 0 HD11 ILE A 140 13.410 -8.842 -0.798 1.00 61.42 H new ATOM 0 HD12 ILE A 140 13.824 -10.361 0.030 1.00 61.42 H new ATOM 0 HD13 ILE A 140 12.118 -9.909 -0.198 1.00 61.42 H new ATOM 2239 N GLN A 141 13.660 -10.076 5.709 1.00 43.34 N ATOM 2240 CA GLN A 141 13.656 -10.811 6.959 1.00 21.23 C ATOM 2241 C GLN A 141 12.945 -10.069 8.074 1.00 63.40 C ATOM 2242 O GLN A 141 12.151 -10.672 8.792 1.00 61.14 O ATOM 2243 CB GLN A 141 15.060 -11.192 7.389 1.00 21.35 C ATOM 2244 CG GLN A 141 15.836 -12.065 6.403 1.00 35.55 C ATOM 2245 CD GLN A 141 15.077 -12.790 5.302 1.00 75.43 C ATOM 2246 OE1 GLN A 141 14.485 -13.933 5.590 1.00 72.10 O flip ATOM 2247 NE2 GLN A 141 15.107 -12.382 4.148 1.00 51.33 N flip ATOM 0 H GLN A 141 14.588 -9.897 5.326 1.00 43.34 H new ATOM 0 HA GLN A 141 13.093 -11.724 6.767 1.00 21.23 H new ATOM 0 HB2 GLN A 141 15.628 -10.278 7.564 1.00 21.35 H new ATOM 0 HB3 GLN A 141 14.999 -11.717 8.342 1.00 21.35 H new ATOM 0 HG2 GLN A 141 16.586 -11.434 5.925 1.00 35.55 H new ATOM 0 HG3 GLN A 141 16.373 -12.816 6.982 1.00 35.55 H new ATOM 0 HE21 GLN A 141 15.566 -11.497 3.932 1.00 51.33 H new ATOM 0 HE22 GLN A 141 14.673 -12.927 3.403 1.00 51.33 H new ATOM 2256 N ASN A 142 13.214 -8.776 8.179 1.00 4.14 N ATOM 2257 CA ASN A 142 12.679 -7.943 9.246 1.00 41.32 C ATOM 2258 C ASN A 142 11.182 -7.696 9.044 1.00 53.52 C ATOM 2259 O ASN A 142 10.409 -7.737 10.000 1.00 13.35 O ATOM 2260 CB ASN A 142 13.429 -6.611 9.333 1.00 64.40 C ATOM 2261 CG ASN A 142 14.930 -6.720 9.555 1.00 40.52 C ATOM 2262 OD1 ASN A 142 15.440 -7.668 10.150 1.00 21.01 O ATOM 2263 ND2 ASN A 142 15.671 -5.746 9.064 1.00 62.01 N ATOM 0 H ASN A 142 13.812 -8.273 7.524 1.00 4.14 H new ATOM 0 HA ASN A 142 12.819 -8.477 10.186 1.00 41.32 H new ATOM 0 HB2 ASN A 142 13.255 -6.055 8.412 1.00 64.40 H new ATOM 0 HB3 ASN A 142 13.000 -6.025 10.146 1.00 64.40 H new ATOM 0 HD21 ASN A 142 16.685 -5.771 9.175 1.00 62.01 H new ATOM 0 HD22 ASN A 142 15.231 -4.968 8.573 1.00 62.01 H new ATOM 2270 N VAL A 143 10.738 -7.524 7.796 1.00 3.52 N ATOM 2271 CA VAL A 143 9.345 -7.212 7.482 1.00 55.30 C ATOM 2272 C VAL A 143 8.443 -8.384 7.880 1.00 31.44 C ATOM 2273 O VAL A 143 7.281 -8.195 8.248 1.00 24.42 O ATOM 2274 CB VAL A 143 9.225 -6.826 5.992 1.00 55.14 C ATOM 2275 CG1 VAL A 143 7.773 -6.846 5.490 1.00 73.43 C ATOM 2276 CG2 VAL A 143 9.785 -5.410 5.765 1.00 3.21 C ATOM 0 H VAL A 143 11.338 -7.598 6.974 1.00 3.52 H new ATOM 0 HA VAL A 143 9.007 -6.352 8.061 1.00 55.30 H new ATOM 0 HB VAL A 143 9.795 -7.570 5.436 1.00 55.14 H new ATOM 0 HG11 VAL A 143 7.748 -6.567 4.437 1.00 73.43 H new ATOM 0 HG12 VAL A 143 7.360 -7.848 5.610 1.00 73.43 H new ATOM 0 HG13 VAL A 143 7.179 -6.138 6.067 1.00 73.43 H new ATOM 0 HG21 VAL A 143 9.695 -5.148 4.711 1.00 3.21 H new ATOM 0 HG22 VAL A 143 9.222 -4.696 6.366 1.00 3.21 H new ATOM 0 HG23 VAL A 143 10.835 -5.383 6.058 1.00 3.21 H new ATOM 2286 N LYS A 144 8.962 -9.615 7.856 1.00 41.42 N ATOM 2287 CA LYS A 144 8.192 -10.764 8.312 1.00 12.33 C ATOM 2288 C LYS A 144 7.832 -10.631 9.798 1.00 22.15 C ATOM 2289 O LYS A 144 6.755 -11.101 10.171 1.00 20.45 O ATOM 2290 CB LYS A 144 8.988 -12.049 8.060 1.00 60.30 C ATOM 2291 CG LYS A 144 9.016 -12.450 6.574 1.00 4.32 C ATOM 2292 CD LYS A 144 9.951 -13.635 6.285 1.00 71.11 C ATOM 2293 CE LYS A 144 11.356 -13.360 6.833 1.00 53.43 C ATOM 2294 NZ LYS A 144 11.611 -14.029 8.128 1.00 1.54 N ATOM 0 H LYS A 144 9.903 -9.835 7.528 1.00 41.42 H new ATOM 0 HA LYS A 144 7.259 -10.806 7.749 1.00 12.33 H new ATOM 0 HB2 LYS A 144 10.010 -11.914 8.415 1.00 60.30 H new ATOM 0 HB3 LYS A 144 8.553 -12.861 8.643 1.00 60.30 H new ATOM 0 HG2 LYS A 144 8.006 -12.706 6.254 1.00 4.32 H new ATOM 0 HG3 LYS A 144 9.331 -11.593 5.979 1.00 4.32 H new ATOM 0 HD2 LYS A 144 9.549 -14.541 6.738 1.00 71.11 H new ATOM 0 HD3 LYS A 144 10.002 -13.811 5.211 1.00 71.11 H new ATOM 0 HE2 LYS A 144 12.096 -13.694 6.106 1.00 53.43 H new ATOM 0 HE3 LYS A 144 11.490 -12.285 6.953 1.00 53.43 H new ATOM 0 HZ1 LYS A 144 12.393 -13.550 8.618 1.00 1.54 H new ATOM 0 HZ2 LYS A 144 10.755 -13.984 8.716 1.00 1.54 H new ATOM 0 HZ3 LYS A 144 11.865 -15.024 7.961 1.00 1.54 H new ATOM 2308 N GLU A 145 8.699 -10.013 10.607 1.00 35.01 N ATOM 2309 CA GLU A 145 8.541 -9.790 12.042 1.00 55.51 C ATOM 2310 C GLU A 145 7.580 -8.620 12.294 1.00 74.10 C ATOM 2311 O GLU A 145 6.714 -8.705 13.164 1.00 60.21 O ATOM 2312 CB GLU A 145 9.912 -9.517 12.701 1.00 21.12 C ATOM 2313 CG GLU A 145 10.998 -10.525 12.277 1.00 64.11 C ATOM 2314 CD GLU A 145 12.384 -10.300 12.895 1.00 42.13 C ATOM 2315 OE1 GLU A 145 12.576 -9.395 13.736 1.00 35.44 O ATOM 2316 OE2 GLU A 145 13.303 -11.067 12.524 1.00 31.21 O ATOM 0 H GLU A 145 9.578 -9.635 10.255 1.00 35.01 H new ATOM 0 HA GLU A 145 8.119 -10.689 12.490 1.00 55.51 H new ATOM 0 HB2 GLU A 145 10.239 -8.510 12.442 1.00 21.12 H new ATOM 0 HB3 GLU A 145 9.800 -9.547 13.785 1.00 21.12 H new ATOM 0 HG2 GLU A 145 10.661 -11.528 12.539 1.00 64.11 H new ATOM 0 HG3 GLU A 145 11.094 -10.494 11.192 1.00 64.11 H new ATOM 2323 N GLU A 146 7.681 -7.545 11.506 1.00 54.30 N ATOM 2324 CA GLU A 146 6.717 -6.440 11.512 1.00 3.22 C ATOM 2325 C GLU A 146 5.304 -6.977 11.283 1.00 0.14 C ATOM 2326 O GLU A 146 4.396 -6.746 12.082 1.00 23.14 O ATOM 2327 CB GLU A 146 7.078 -5.423 10.426 1.00 63.41 C ATOM 2328 CG GLU A 146 8.058 -4.350 10.908 1.00 53.32 C ATOM 2329 CD GLU A 146 7.389 -2.976 10.941 1.00 11.45 C ATOM 2330 OE1 GLU A 146 6.910 -2.519 9.881 1.00 54.40 O ATOM 2331 OE2 GLU A 146 7.328 -2.367 12.038 1.00 64.42 O ATOM 0 H GLU A 146 8.442 -7.416 10.839 1.00 54.30 H new ATOM 0 HA GLU A 146 6.752 -5.945 12.482 1.00 3.22 H new ATOM 0 HB2 GLU A 146 7.513 -5.948 9.576 1.00 63.41 H new ATOM 0 HB3 GLU A 146 6.167 -4.941 10.071 1.00 63.41 H new ATOM 0 HG2 GLU A 146 8.423 -4.605 11.903 1.00 53.32 H new ATOM 0 HG3 GLU A 146 8.925 -4.321 10.248 1.00 53.32 H new ATOM 2338 N ASN A 147 5.134 -7.766 10.221 1.00 32.22 N ATOM 2339 CA ASN A 147 3.836 -8.316 9.854 1.00 60.43 C ATOM 2340 C ASN A 147 3.265 -9.230 10.936 1.00 12.44 C ATOM 2341 O ASN A 147 2.052 -9.449 10.969 1.00 74.20 O ATOM 2342 CB ASN A 147 3.939 -9.123 8.551 1.00 41.20 C ATOM 2343 CG ASN A 147 4.141 -8.258 7.320 1.00 14.43 C ATOM 2344 OD1 ASN A 147 3.901 -7.063 7.312 1.00 34.03 O ATOM 2345 ND2 ASN A 147 4.558 -8.857 6.227 1.00 4.23 N ATOM 0 H ASN A 147 5.892 -8.039 9.595 1.00 32.22 H new ATOM 0 HA ASN A 147 3.169 -7.464 9.726 1.00 60.43 H new ATOM 0 HB2 ASN A 147 4.768 -9.826 8.632 1.00 41.20 H new ATOM 0 HB3 ASN A 147 3.032 -9.714 8.426 1.00 41.20 H new ATOM 0 HD21 ASN A 147 4.682 -8.322 5.368 1.00 4.23 H new ATOM 0 HD22 ASN A 147 4.758 -9.857 6.238 1.00 4.23 H new ATOM 2352 N ALA A 148 4.113 -9.810 11.790 1.00 15.52 N ATOM 2353 CA ALA A 148 3.655 -10.657 12.876 1.00 43.10 C ATOM 2354 C ALA A 148 3.065 -9.807 13.996 1.00 42.21 C ATOM 2355 O ALA A 148 1.989 -10.141 14.492 1.00 20.05 O ATOM 2356 CB ALA A 148 4.807 -11.521 13.397 1.00 40.12 C ATOM 0 H ALA A 148 5.126 -9.702 11.743 1.00 15.52 H new ATOM 0 HA ALA A 148 2.874 -11.319 12.501 1.00 43.10 H new ATOM 0 HB1 ALA A 148 4.450 -12.151 14.211 1.00 40.12 H new ATOM 0 HB2 ALA A 148 5.184 -12.149 12.590 1.00 40.12 H new ATOM 0 HB3 ALA A 148 5.608 -10.878 13.761 1.00 40.12 H new ATOM 2362 N ALA A 149 3.730 -8.699 14.344 1.00 15.23 N ATOM 2363 CA ALA A 149 3.230 -7.720 15.302 1.00 20.25 C ATOM 2364 C ALA A 149 1.907 -7.119 14.832 1.00 60.33 C ATOM 2365 O ALA A 149 1.004 -6.919 15.644 1.00 42.34 O ATOM 2366 CB ALA A 149 4.271 -6.617 15.502 1.00 31.03 C ATOM 0 H ALA A 149 4.644 -8.459 13.959 1.00 15.23 H new ATOM 0 HA ALA A 149 3.051 -8.225 16.252 1.00 20.25 H new ATOM 0 HB1 ALA A 149 3.894 -5.887 16.218 1.00 31.03 H new ATOM 0 HB2 ALA A 149 5.195 -7.053 15.880 1.00 31.03 H new ATOM 0 HB3 ALA A 149 4.466 -6.124 14.550 1.00 31.03 H new ATOM 2372 N PHE A 150 1.750 -6.870 13.528 1.00 40.52 N ATOM 2373 CA PHE A 150 0.463 -6.461 12.979 1.00 61.32 C ATOM 2374 C PHE A 150 -0.586 -7.539 13.277 1.00 21.44 C ATOM 2375 O PHE A 150 -1.580 -7.287 13.968 1.00 21.12 O ATOM 2376 CB PHE A 150 0.566 -6.175 11.478 1.00 15.14 C ATOM 2377 CG PHE A 150 -0.716 -5.601 10.903 1.00 75.14 C ATOM 2378 CD1 PHE A 150 -1.779 -6.442 10.517 1.00 14.12 C ATOM 2379 CD2 PHE A 150 -0.861 -4.210 10.772 1.00 61.00 C ATOM 2380 CE1 PHE A 150 -2.950 -5.900 9.959 1.00 63.00 C ATOM 2381 CE2 PHE A 150 -2.034 -3.670 10.224 1.00 32.22 C ATOM 2382 CZ PHE A 150 -3.081 -4.510 9.814 1.00 74.22 C ATOM 0 H PHE A 150 2.498 -6.945 12.839 1.00 40.52 H new ATOM 0 HA PHE A 150 0.153 -5.531 13.456 1.00 61.32 H new ATOM 0 HB2 PHE A 150 1.384 -5.477 11.300 1.00 15.14 H new ATOM 0 HB3 PHE A 150 0.814 -7.097 10.953 1.00 15.14 H new ATOM 0 HD1 PHE A 150 -1.693 -7.510 10.651 1.00 14.12 H new ATOM 0 HD2 PHE A 150 -0.066 -3.554 11.094 1.00 61.00 H new ATOM 0 HE1 PHE A 150 -3.749 -6.553 9.642 1.00 63.00 H new ATOM 0 HE2 PHE A 150 -2.132 -2.600 10.117 1.00 32.22 H new ATOM 0 HZ PHE A 150 -3.981 -4.090 9.390 1.00 74.22 H new ATOM 2392 N LYS A 151 -0.368 -8.757 12.766 1.00 52.54 N ATOM 2393 CA LYS A 151 -1.374 -9.813 12.758 1.00 73.20 C ATOM 2394 C LYS A 151 -1.564 -10.487 14.125 1.00 2.54 C ATOM 2395 O LYS A 151 -2.422 -11.356 14.268 1.00 55.54 O ATOM 2396 CB LYS A 151 -1.080 -10.763 11.590 1.00 20.14 C ATOM 2397 CG LYS A 151 -0.171 -11.925 11.959 1.00 74.41 C ATOM 2398 CD LYS A 151 0.060 -12.845 10.756 1.00 13.33 C ATOM 2399 CE LYS A 151 1.116 -12.280 9.803 1.00 2.33 C ATOM 2400 NZ LYS A 151 1.179 -13.094 8.574 1.00 53.41 N ATOM 0 H LYS A 151 0.519 -9.034 12.345 1.00 52.54 H new ATOM 0 HA LYS A 151 -2.359 -9.379 12.584 1.00 73.20 H new ATOM 0 HB2 LYS A 151 -2.022 -11.157 11.208 1.00 20.14 H new ATOM 0 HB3 LYS A 151 -0.620 -10.197 10.780 1.00 20.14 H new ATOM 0 HG2 LYS A 151 0.785 -11.544 12.319 1.00 74.41 H new ATOM 0 HG3 LYS A 151 -0.615 -12.494 12.776 1.00 74.41 H new ATOM 0 HD2 LYS A 151 0.375 -13.828 11.106 1.00 13.33 H new ATOM 0 HD3 LYS A 151 -0.878 -12.983 10.218 1.00 13.33 H new ATOM 0 HE2 LYS A 151 0.875 -11.247 9.552 1.00 2.33 H new ATOM 0 HE3 LYS A 151 2.090 -12.270 10.292 1.00 2.33 H new ATOM 0 HZ1 LYS A 151 1.899 -12.702 7.934 1.00 53.41 H new ATOM 0 HZ2 LYS A 151 1.430 -14.073 8.819 1.00 53.41 H new ATOM 0 HZ3 LYS A 151 0.253 -13.082 8.102 1.00 53.41 H new ATOM 2414 N GLU A 152 -0.797 -10.087 15.138 1.00 35.23 N ATOM 2415 CA GLU A 152 -1.032 -10.416 16.539 1.00 2.31 C ATOM 2416 C GLU A 152 -2.389 -9.865 17.013 1.00 44.22 C ATOM 2417 O GLU A 152 -3.032 -10.423 17.909 1.00 75.11 O ATOM 2418 CB GLU A 152 0.156 -9.851 17.339 1.00 21.12 C ATOM 2419 CG GLU A 152 0.036 -10.049 18.850 1.00 72.00 C ATOM 2420 CD GLU A 152 1.368 -9.951 19.600 1.00 74.10 C ATOM 2421 OE1 GLU A 152 2.041 -8.896 19.594 1.00 23.03 O ATOM 2422 OE2 GLU A 152 1.774 -10.956 20.230 1.00 3.41 O ATOM 0 H GLU A 152 0.031 -9.507 15.000 1.00 35.23 H new ATOM 0 HA GLU A 152 -1.090 -11.494 16.690 1.00 2.31 H new ATOM 0 HB2 GLU A 152 1.074 -10.326 16.992 1.00 21.12 H new ATOM 0 HB3 GLU A 152 0.249 -8.786 17.128 1.00 21.12 H new ATOM 0 HG2 GLU A 152 -0.650 -9.303 19.250 1.00 72.00 H new ATOM 0 HG3 GLU A 152 -0.407 -11.026 19.044 1.00 72.00 H new ATOM 2429 N ILE A 153 -2.838 -8.779 16.384 1.00 73.34 N ATOM 2430 CA ILE A 153 -4.015 -8.015 16.793 1.00 22.24 C ATOM 2431 C ILE A 153 -4.976 -7.814 15.610 1.00 75.13 C ATOM 2432 O ILE A 153 -6.188 -7.723 15.814 1.00 55.12 O ATOM 2433 CB ILE A 153 -3.568 -6.678 17.431 1.00 44.33 C ATOM 2434 CG1 ILE A 153 -2.289 -6.798 18.310 1.00 41.12 C ATOM 2435 CG2 ILE A 153 -4.719 -6.068 18.250 1.00 51.52 C ATOM 2436 CD1 ILE A 153 -1.805 -5.511 18.991 1.00 60.42 C ATOM 0 H ILE A 153 -2.382 -8.397 15.556 1.00 73.34 H new ATOM 0 HA ILE A 153 -4.570 -8.574 17.547 1.00 22.24 H new ATOM 0 HB ILE A 153 -3.308 -6.019 16.603 1.00 44.33 H new ATOM 0 HG12 ILE A 153 -2.474 -7.544 19.083 1.00 41.12 H new ATOM 0 HG13 ILE A 153 -1.480 -7.179 17.686 1.00 41.12 H new ATOM 0 HG21 ILE A 153 -4.391 -5.128 18.694 1.00 51.52 H new ATOM 0 HG22 ILE A 153 -5.572 -5.884 17.597 1.00 51.52 H new ATOM 0 HG23 ILE A 153 -5.010 -6.760 19.040 1.00 51.52 H new ATOM 0 HD11 ILE A 153 -0.909 -5.723 19.574 1.00 60.42 H new ATOM 0 HD12 ILE A 153 -1.576 -4.762 18.233 1.00 60.42 H new ATOM 0 HD13 ILE A 153 -2.586 -5.133 19.651 1.00 60.42 H new ATOM 2448 N HIS A 154 -4.469 -7.814 14.372 1.00 63.11 N ATOM 2449 CA HIS A 154 -5.275 -7.741 13.156 1.00 32.04 C ATOM 2450 C HIS A 154 -4.961 -8.916 12.214 1.00 43.20 C ATOM 2451 O HIS A 154 -4.428 -8.701 11.125 1.00 41.40 O ATOM 2452 CB HIS A 154 -5.091 -6.350 12.525 1.00 74.11 C ATOM 2453 CG HIS A 154 -5.882 -5.276 13.230 1.00 71.23 C ATOM 2454 ND1 HIS A 154 -7.244 -5.293 13.406 1.00 64.10 N ATOM 2455 CD2 HIS A 154 -5.410 -4.103 13.750 1.00 12.45 C ATOM 2456 CE1 HIS A 154 -7.596 -4.150 14.014 1.00 3.42 C ATOM 2457 NE2 HIS A 154 -6.511 -3.391 14.257 1.00 34.43 N ATOM 0 H HIS A 154 -3.467 -7.866 14.188 1.00 63.11 H new ATOM 0 HA HIS A 154 -6.335 -7.850 13.386 1.00 32.04 H new ATOM 0 HB2 HIS A 154 -4.034 -6.086 12.542 1.00 74.11 H new ATOM 0 HB3 HIS A 154 -5.393 -6.389 11.478 1.00 74.11 H new ATOM 0 HD1 HIS A 154 -7.876 -6.042 13.124 1.00 64.10 H new ATOM 0 HD2 HIS A 154 -4.379 -3.782 13.768 1.00 12.45 H new ATOM 0 HE1 HIS A 154 -8.608 -3.877 14.272 1.00 3.42 H new ATOM 2465 N PRO A 155 -5.250 -10.170 12.607 1.00 24.01 N ATOM 2466 CA PRO A 155 -5.098 -11.344 11.750 1.00 61.33 C ATOM 2467 C PRO A 155 -6.177 -11.420 10.674 1.00 32.44 C ATOM 2468 O PRO A 155 -7.356 -11.126 10.973 1.00 72.00 O ATOM 2469 CB PRO A 155 -5.183 -12.549 12.685 1.00 44.14 C ATOM 2470 CG PRO A 155 -6.074 -12.042 13.815 1.00 34.32 C ATOM 2471 CD PRO A 155 -5.738 -10.559 13.922 1.00 31.01 C ATOM 0 HA PRO A 155 -4.151 -11.305 11.211 1.00 61.33 H new ATOM 0 HB2 PRO A 155 -5.616 -13.417 12.187 1.00 44.14 H new ATOM 0 HB3 PRO A 155 -4.200 -12.848 13.049 1.00 44.14 H new ATOM 0 HG2 PRO A 155 -7.129 -12.196 13.589 1.00 34.32 H new ATOM 0 HG3 PRO A 155 -5.868 -12.565 14.749 1.00 34.32 H new ATOM 0 HD2 PRO A 155 -6.617 -9.978 14.201 1.00 31.01 H new ATOM 0 HD3 PRO A 155 -4.983 -10.383 14.688 1.00 31.01 H new TER 2479 PRO A 155