USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1084 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 106 THR OG1 : rot 125:sc= 1.3 USER MOD Set 1.2: A 111 TYR OH : rot 116:sc= 0.798 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00484 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0911 (180deg=-0.5) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -23:sc= 0.85 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.0916 K(o=0.092,f=-4.1!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 60:sc= -0.0788 USER MOD Single : A 44 GLN : amide:sc=0.000874 K(o=0.00087,f=-0.92!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -160:sc= 0.255 USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.089) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 25:sc= 0.0747 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0484 USER MOD Single : A 76 SER OG : rot -13:sc= 0.359 USER MOD Single : A 77 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.034) USER MOD Single : A 79 THR OG1 : rot 175:sc= 1.31 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.348 F(o=-1.6!,f=-0.35) USER MOD Single : A 85 HIS : no HE2:sc= -0.538 K(o=-0.54,f=-4.5!) USER MOD Single : A 86 LYS NZ :NH3+ 137:sc= 1.26 (180deg=0.454) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -72:sc= 1.04 USER MOD Single : A 98 SER OG : rot -35:sc= 0.301 USER MOD Single : A 109 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.012) USER MOD Single : A 113 THR OG1 : rot -180:sc= 1.19 USER MOD Single : A 115 CYS SG : rot -131:sc= 0.992 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.398 K(o=0.4,f=-6.4!) USER MOD Single : A 120 TYR OH : rot 163:sc= -0.349 USER MOD Single : A 121 ASN : amide:sc= 1.37 K(o=1.4,f=-5.6!) USER MOD Single : A 127 ASN : amide:sc=-0.00719 X(o=-0.0072,f=-0.0033) USER MOD Single : A 132 THR OG1 : rot -150:sc=0.000536 USER MOD Single : A 134 GLN : amide:sc= -0.034 K(o=-0.034,f=-0.78) USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc= 1.63 K(o=1.6,f=-5.4!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 HIS : no HE2:sc= -0.025 X(o=-0.025,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.682 4.283 -5.579 1.00 52.23 N ATOM 34 CA GLU A 4 21.241 4.398 -5.399 1.00 75.22 C ATOM 35 C GLU A 4 20.837 3.961 -3.986 1.00 5.11 C ATOM 36 O GLU A 4 21.620 3.341 -3.260 1.00 20.20 O ATOM 37 CB GLU A 4 20.497 3.614 -6.482 1.00 32.51 C ATOM 38 CG GLU A 4 20.876 4.028 -7.923 1.00 54.12 C ATOM 39 CD GLU A 4 21.502 2.931 -8.791 1.00 3.00 C ATOM 40 OE1 GLU A 4 21.768 1.804 -8.307 1.00 3.41 O ATOM 41 OE2 GLU A 4 21.767 3.205 -9.981 1.00 2.33 O ATOM 0 HA GLU A 4 20.955 5.444 -5.507 1.00 75.22 H new ATOM 0 HB2 GLU A 4 20.702 2.551 -6.353 1.00 32.51 H new ATOM 0 HB3 GLU A 4 19.424 3.751 -6.345 1.00 32.51 H new ATOM 0 HG2 GLU A 4 19.979 4.393 -8.423 1.00 54.12 H new ATOM 0 HG3 GLU A 4 21.573 4.864 -7.869 1.00 54.12 H new ATOM 48 N GLU A 5 19.626 4.315 -3.563 1.00 21.23 N ATOM 49 CA GLU A 5 19.069 3.935 -2.280 1.00 40.21 C ATOM 50 C GLU A 5 18.689 2.446 -2.346 1.00 44.23 C ATOM 51 O GLU A 5 18.276 1.945 -3.396 1.00 43.14 O ATOM 52 CB GLU A 5 17.871 4.867 -2.049 1.00 20.51 C ATOM 53 CG GLU A 5 17.310 4.812 -0.625 1.00 31.31 C ATOM 54 CD GLU A 5 18.083 5.731 0.326 1.00 51.05 C ATOM 55 OE1 GLU A 5 19.325 5.842 0.254 1.00 52.01 O ATOM 56 OE2 GLU A 5 17.433 6.365 1.191 1.00 53.03 O ATOM 0 H GLU A 5 18.994 4.888 -4.122 1.00 21.23 H new ATOM 0 HA GLU A 5 19.760 4.041 -1.444 1.00 40.21 H new ATOM 0 HB2 GLU A 5 18.171 5.891 -2.272 1.00 20.51 H new ATOM 0 HB3 GLU A 5 17.079 4.607 -2.752 1.00 20.51 H new ATOM 0 HG2 GLU A 5 16.259 5.102 -0.637 1.00 31.31 H new ATOM 0 HG3 GLU A 5 17.354 3.787 -0.256 1.00 31.31 H new ATOM 63 N ASP A 6 18.852 1.716 -1.246 1.00 75.51 N ATOM 64 CA ASP A 6 18.785 0.252 -1.229 1.00 25.44 C ATOM 65 C ASP A 6 17.360 -0.232 -0.968 1.00 35.34 C ATOM 66 O ASP A 6 16.718 0.272 -0.046 1.00 33.24 O ATOM 67 CB ASP A 6 19.698 -0.278 -0.118 1.00 4.11 C ATOM 68 CG ASP A 6 20.017 -1.750 -0.309 1.00 42.21 C ATOM 69 OD1 ASP A 6 19.143 -2.609 -0.075 1.00 25.34 O ATOM 70 OD2 ASP A 6 21.147 -2.039 -0.759 1.00 34.11 O ATOM 0 H ASP A 6 19.036 2.126 -0.330 1.00 75.51 H new ATOM 0 HA ASP A 6 19.106 -0.118 -2.203 1.00 25.44 H new ATOM 0 HB2 ASP A 6 20.624 0.296 -0.103 1.00 4.11 H new ATOM 0 HB3 ASP A 6 19.217 -0.132 0.849 1.00 4.11 H new ATOM 75 N PHE A 7 16.883 -1.232 -1.715 1.00 24.11 N ATOM 76 CA PHE A 7 15.581 -1.888 -1.557 1.00 32.21 C ATOM 77 C PHE A 7 15.334 -2.391 -0.124 1.00 12.23 C ATOM 78 O PHE A 7 14.182 -2.571 0.276 1.00 54.55 O ATOM 79 CB PHE A 7 15.414 -3.044 -2.569 1.00 4.12 C ATOM 80 CG PHE A 7 16.095 -4.351 -2.173 1.00 40.24 C ATOM 81 CD1 PHE A 7 15.488 -5.223 -1.244 1.00 2.45 C ATOM 82 CD2 PHE A 7 17.361 -4.681 -2.690 1.00 0.02 C ATOM 83 CE1 PHE A 7 16.171 -6.351 -0.765 1.00 23.32 C ATOM 84 CE2 PHE A 7 18.045 -5.813 -2.215 1.00 1.02 C ATOM 85 CZ PHE A 7 17.468 -6.625 -1.226 1.00 31.33 C ATOM 0 H PHE A 7 17.422 -1.626 -2.486 1.00 24.11 H new ATOM 0 HA PHE A 7 14.829 -1.126 -1.762 1.00 32.21 H new ATOM 0 HB2 PHE A 7 14.350 -3.234 -2.708 1.00 4.12 H new ATOM 0 HB3 PHE A 7 15.809 -2.723 -3.533 1.00 4.12 H new ATOM 0 HD1 PHE A 7 14.486 -5.019 -0.898 1.00 2.45 H new ATOM 0 HD2 PHE A 7 17.809 -4.063 -3.454 1.00 0.02 H new ATOM 0 HE1 PHE A 7 15.701 -7.005 -0.045 1.00 23.32 H new ATOM 0 HE2 PHE A 7 19.019 -6.059 -2.612 1.00 1.02 H new ATOM 0 HZ PHE A 7 18.021 -7.459 -0.820 1.00 31.33 H new ATOM 95 N LYS A 8 16.382 -2.628 0.666 1.00 54.24 N ATOM 96 CA LYS A 8 16.273 -2.930 2.085 1.00 73.52 C ATOM 97 C LYS A 8 16.217 -1.637 2.877 1.00 13.13 C ATOM 98 O LYS A 8 15.225 -1.351 3.544 1.00 12.53 O ATOM 99 CB LYS A 8 17.463 -3.811 2.471 1.00 54.22 C ATOM 100 CG LYS A 8 17.588 -4.056 3.974 1.00 3.01 C ATOM 101 CD LYS A 8 18.434 -5.316 4.173 1.00 2.20 C ATOM 102 CE LYS A 8 18.627 -5.669 5.644 1.00 15.25 C ATOM 103 NZ LYS A 8 19.096 -7.064 5.777 1.00 4.54 N ATOM 0 H LYS A 8 17.344 -2.614 0.328 1.00 54.24 H new ATOM 0 HA LYS A 8 15.356 -3.474 2.311 1.00 73.52 H new ATOM 0 HB2 LYS A 8 17.372 -4.771 1.962 1.00 54.22 H new ATOM 0 HB3 LYS A 8 18.380 -3.345 2.111 1.00 54.22 H new ATOM 0 HG2 LYS A 8 18.055 -3.201 4.463 1.00 3.01 H new ATOM 0 HG3 LYS A 8 16.603 -4.182 4.424 1.00 3.01 H new ATOM 0 HD2 LYS A 8 17.958 -6.153 3.662 1.00 2.20 H new ATOM 0 HD3 LYS A 8 19.409 -5.171 3.707 1.00 2.20 H new ATOM 0 HE2 LYS A 8 19.350 -4.990 6.097 1.00 15.25 H new ATOM 0 HE3 LYS A 8 17.688 -5.540 6.183 1.00 15.25 H new ATOM 0 HZ1 LYS A 8 19.224 -7.293 6.783 1.00 4.54 H new ATOM 0 HZ2 LYS A 8 18.392 -7.708 5.362 1.00 4.54 H new ATOM 0 HZ3 LYS A 8 20.002 -7.175 5.279 1.00 4.54 H new ATOM 117 N THR A 9 17.285 -0.850 2.839 1.00 11.30 N ATOM 118 CA THR A 9 17.453 0.307 3.703 1.00 13.00 C ATOM 119 C THR A 9 16.327 1.336 3.512 1.00 0.34 C ATOM 120 O THR A 9 15.860 1.917 4.494 1.00 24.51 O ATOM 121 CB THR A 9 18.839 0.892 3.416 1.00 14.11 C ATOM 122 OG1 THR A 9 19.820 -0.129 3.470 1.00 53.15 O ATOM 123 CG2 THR A 9 19.243 1.979 4.405 1.00 41.13 C ATOM 0 H THR A 9 18.066 -1.000 2.200 1.00 11.30 H new ATOM 0 HA THR A 9 17.387 0.012 4.750 1.00 13.00 H new ATOM 0 HB THR A 9 18.779 1.335 2.422 1.00 14.11 H new ATOM 0 HG1 THR A 9 20.702 0.255 3.283 1.00 53.15 H new ATOM 0 HG21 THR A 9 20.234 2.354 4.149 1.00 41.13 H new ATOM 0 HG22 THR A 9 18.523 2.796 4.361 1.00 41.13 H new ATOM 0 HG23 THR A 9 19.261 1.565 5.413 1.00 41.13 H new ATOM 131 N PHE A 10 15.845 1.554 2.282 1.00 13.53 N ATOM 132 CA PHE A 10 14.779 2.522 2.030 1.00 13.34 C ATOM 133 C PHE A 10 13.504 2.067 2.761 1.00 12.13 C ATOM 134 O PHE A 10 12.729 2.894 3.246 1.00 40.14 O ATOM 135 CB PHE A 10 14.528 2.704 0.514 1.00 65.54 C ATOM 136 CG PHE A 10 13.396 1.898 -0.107 1.00 33.24 C ATOM 137 CD1 PHE A 10 13.397 0.493 -0.079 1.00 51.22 C ATOM 138 CD2 PHE A 10 12.302 2.568 -0.686 1.00 4.04 C ATOM 139 CE1 PHE A 10 12.300 -0.230 -0.581 1.00 25.25 C ATOM 140 CE2 PHE A 10 11.253 1.838 -1.266 1.00 51.42 C ATOM 141 CZ PHE A 10 11.236 0.442 -1.192 1.00 33.55 C ATOM 0 H PHE A 10 16.179 1.071 1.448 1.00 13.53 H new ATOM 0 HA PHE A 10 15.082 3.496 2.415 1.00 13.34 H new ATOM 0 HB2 PHE A 10 14.331 3.760 0.329 1.00 65.54 H new ATOM 0 HB3 PHE A 10 15.449 2.454 -0.013 1.00 65.54 H new ATOM 0 HD1 PHE A 10 14.245 -0.035 0.331 1.00 51.22 H new ATOM 0 HD2 PHE A 10 12.270 3.648 -0.684 1.00 4.04 H new ATOM 0 HE1 PHE A 10 12.279 -1.306 -0.495 1.00 25.25 H new ATOM 0 HE2 PHE A 10 10.454 2.358 -1.773 1.00 51.42 H new ATOM 0 HZ PHE A 10 10.407 -0.114 -1.604 1.00 33.55 H new ATOM 151 N LEU A 11 13.311 0.747 2.871 1.00 24.10 N ATOM 152 CA LEU A 11 12.158 0.091 3.451 1.00 24.15 C ATOM 153 C LEU A 11 12.187 0.286 4.959 1.00 63.22 C ATOM 154 O LEU A 11 11.178 0.649 5.548 1.00 1.50 O ATOM 155 CB LEU A 11 12.168 -1.415 3.106 1.00 65.35 C ATOM 156 CG LEU A 11 10.876 -1.909 2.445 1.00 52.55 C ATOM 157 CD1 LEU A 11 10.971 -3.422 2.224 1.00 0.20 C ATOM 158 CD2 LEU A 11 9.623 -1.599 3.261 1.00 2.45 C ATOM 0 H LEU A 11 14.004 0.078 2.534 1.00 24.10 H new ATOM 0 HA LEU A 11 11.246 0.527 3.043 1.00 24.15 H new ATOM 0 HB2 LEU A 11 13.006 -1.620 2.440 1.00 65.35 H new ATOM 0 HB3 LEU A 11 12.339 -1.986 4.019 1.00 65.35 H new ATOM 0 HG LEU A 11 10.779 -1.376 1.499 1.00 52.55 H new ATOM 0 HD11 LEU A 11 10.055 -3.779 1.754 1.00 0.20 H new ATOM 0 HD12 LEU A 11 11.820 -3.643 1.577 1.00 0.20 H new ATOM 0 HD13 LEU A 11 11.106 -3.922 3.183 1.00 0.20 H new ATOM 0 HD21 LEU A 11 8.745 -1.976 2.736 1.00 2.45 H new ATOM 0 HD22 LEU A 11 9.696 -2.079 4.237 1.00 2.45 H new ATOM 0 HD23 LEU A 11 9.532 -0.521 3.393 1.00 2.45 H new ATOM 170 N GLN A 12 13.364 0.121 5.570 1.00 52.24 N ATOM 171 CA GLN A 12 13.566 0.342 6.996 1.00 5.22 C ATOM 172 C GLN A 12 13.118 1.750 7.405 1.00 5.25 C ATOM 173 O GLN A 12 12.495 1.919 8.452 1.00 40.43 O ATOM 174 CB GLN A 12 15.041 0.122 7.368 1.00 23.41 C ATOM 175 CG GLN A 12 15.560 -1.289 7.052 1.00 73.31 C ATOM 176 CD GLN A 12 17.037 -1.477 7.395 1.00 51.43 C ATOM 177 OE1 GLN A 12 17.827 -0.533 7.424 1.00 23.41 O ATOM 178 NE2 GLN A 12 17.464 -2.702 7.639 1.00 54.34 N ATOM 0 H GLN A 12 14.209 -0.173 5.079 1.00 52.24 H new ATOM 0 HA GLN A 12 12.955 -0.379 7.539 1.00 5.22 H new ATOM 0 HB2 GLN A 12 15.652 0.851 6.836 1.00 23.41 H new ATOM 0 HB3 GLN A 12 15.170 0.316 8.433 1.00 23.41 H new ATOM 0 HG2 GLN A 12 14.969 -2.019 7.605 1.00 73.31 H new ATOM 0 HG3 GLN A 12 15.410 -1.495 5.992 1.00 73.31 H new ATOM 0 HE21 GLN A 12 16.810 -3.484 7.615 1.00 54.34 H new ATOM 0 HE22 GLN A 12 18.448 -2.866 7.851 1.00 54.34 H new ATOM 187 N LYS A 13 13.406 2.759 6.574 1.00 74.51 N ATOM 188 CA LYS A 13 12.888 4.109 6.773 1.00 73.34 C ATOM 189 C LYS A 13 11.384 4.147 6.551 1.00 40.04 C ATOM 190 O LYS A 13 10.664 4.715 7.363 1.00 34.44 O ATOM 191 CB LYS A 13 13.582 5.101 5.835 1.00 74.13 C ATOM 192 CG LYS A 13 15.070 5.214 6.163 1.00 1.31 C ATOM 193 CD LYS A 13 15.705 6.337 5.334 1.00 1.34 C ATOM 194 CE LYS A 13 17.137 6.667 5.784 1.00 64.54 C ATOM 195 NZ LYS A 13 17.217 6.942 7.232 1.00 4.22 N ATOM 0 H LYS A 13 14.001 2.659 5.751 1.00 74.51 H new ATOM 0 HA LYS A 13 13.096 4.399 7.803 1.00 73.34 H new ATOM 0 HB2 LYS A 13 13.457 4.778 4.801 1.00 74.13 H new ATOM 0 HB3 LYS A 13 13.111 6.080 5.922 1.00 74.13 H new ATOM 0 HG2 LYS A 13 15.202 5.416 7.226 1.00 1.31 H new ATOM 0 HG3 LYS A 13 15.570 4.268 5.953 1.00 1.31 H new ATOM 0 HD2 LYS A 13 15.716 6.046 4.284 1.00 1.34 H new ATOM 0 HD3 LYS A 13 15.089 7.233 5.410 1.00 1.34 H new ATOM 0 HE2 LYS A 13 17.795 5.834 5.537 1.00 64.54 H new ATOM 0 HE3 LYS A 13 17.499 7.533 5.231 1.00 64.54 H new ATOM 0 HZ1 LYS A 13 18.110 7.431 7.444 1.00 4.22 H new ATOM 0 HZ2 LYS A 13 16.417 7.543 7.516 1.00 4.22 H new ATOM 0 HZ3 LYS A 13 17.180 6.046 7.758 1.00 4.22 H new ATOM 209 N PHE A 14 10.909 3.584 5.445 1.00 75.42 N ATOM 210 CA PHE A 14 9.499 3.575 5.070 1.00 14.12 C ATOM 211 C PHE A 14 8.602 3.073 6.205 1.00 42.02 C ATOM 212 O PHE A 14 7.596 3.725 6.482 1.00 21.13 O ATOM 213 CB PHE A 14 9.317 2.763 3.781 1.00 3.02 C ATOM 214 CG PHE A 14 7.998 2.951 3.062 1.00 3.42 C ATOM 215 CD1 PHE A 14 7.707 4.181 2.443 1.00 4.50 C ATOM 216 CD2 PHE A 14 7.099 1.876 2.935 1.00 2.41 C ATOM 217 CE1 PHE A 14 6.532 4.330 1.686 1.00 54.24 C ATOM 218 CE2 PHE A 14 5.916 2.031 2.193 1.00 2.23 C ATOM 219 CZ PHE A 14 5.632 3.256 1.566 1.00 11.04 C ATOM 0 H PHE A 14 11.508 3.110 4.768 1.00 75.42 H new ATOM 0 HA PHE A 14 9.183 4.601 4.879 1.00 14.12 H new ATOM 0 HB2 PHE A 14 10.123 3.022 3.094 1.00 3.02 H new ATOM 0 HB3 PHE A 14 9.430 1.706 4.021 1.00 3.02 H new ATOM 0 HD1 PHE A 14 8.388 5.012 2.550 1.00 4.50 H new ATOM 0 HD2 PHE A 14 7.319 0.931 3.409 1.00 2.41 H new ATOM 0 HE1 PHE A 14 6.320 5.269 1.197 1.00 54.24 H new ATOM 0 HE2 PHE A 14 5.224 1.207 2.104 1.00 2.23 H new ATOM 0 HZ PHE A 14 4.724 3.373 0.993 1.00 11.04 H new ATOM 229 N THR A 15 8.965 1.977 6.876 1.00 60.22 N ATOM 230 CA THR A 15 8.168 1.361 7.935 1.00 24.21 C ATOM 231 C THR A 15 8.280 2.124 9.276 1.00 44.13 C ATOM 232 O THR A 15 7.412 1.985 10.143 1.00 15.11 O ATOM 233 CB THR A 15 8.569 -0.133 8.039 1.00 62.11 C ATOM 234 OG1 THR A 15 9.927 -0.290 8.420 1.00 14.42 O ATOM 235 CG2 THR A 15 8.378 -0.911 6.731 1.00 14.44 C ATOM 0 H THR A 15 9.839 1.484 6.693 1.00 60.22 H new ATOM 0 HA THR A 15 7.109 1.420 7.682 1.00 24.21 H new ATOM 0 HB THR A 15 7.900 -0.536 8.799 1.00 62.11 H new ATOM 0 HG1 THR A 15 10.143 -1.244 8.476 1.00 14.42 H new ATOM 0 HG21 THR A 15 8.678 -1.949 6.878 1.00 14.44 H new ATOM 0 HG22 THR A 15 7.329 -0.875 6.436 1.00 14.44 H new ATOM 0 HG23 THR A 15 8.991 -0.463 5.948 1.00 14.44 H new ATOM 243 N SER A 16 9.293 2.991 9.423 1.00 21.32 N ATOM 244 CA SER A 16 9.586 3.777 10.610 1.00 51.31 C ATOM 245 C SER A 16 10.018 5.192 10.203 1.00 13.30 C ATOM 246 O SER A 16 11.192 5.559 10.313 1.00 71.44 O ATOM 247 CB SER A 16 10.636 3.054 11.463 1.00 42.25 C ATOM 248 OG SER A 16 10.086 1.897 12.071 1.00 3.34 O ATOM 0 H SER A 16 9.960 3.165 8.671 1.00 21.32 H new ATOM 0 HA SER A 16 8.692 3.882 11.225 1.00 51.31 H new ATOM 0 HB2 SER A 16 11.485 2.773 10.840 1.00 42.25 H new ATOM 0 HB3 SER A 16 11.013 3.729 12.231 1.00 42.25 H new ATOM 0 HG SER A 16 10.774 1.451 12.608 1.00 3.34 H new ATOM 254 N SER A 17 9.059 5.935 9.628 1.00 34.40 N ATOM 255 CA SER A 17 8.917 7.375 9.505 1.00 23.34 C ATOM 256 C SER A 17 7.722 7.776 8.639 1.00 11.15 C ATOM 257 O SER A 17 7.749 7.630 7.418 1.00 14.41 O ATOM 258 CB SER A 17 10.215 7.969 9.033 1.00 61.34 C ATOM 259 OG SER A 17 10.868 7.330 7.949 1.00 63.55 O ATOM 0 H SER A 17 8.268 5.468 9.184 1.00 34.40 H new ATOM 0 HA SER A 17 8.695 7.788 10.489 1.00 23.34 H new ATOM 0 HB2 SER A 17 10.028 9.005 8.751 1.00 61.34 H new ATOM 0 HB3 SER A 17 10.904 7.988 9.878 1.00 61.34 H new ATOM 0 HG SER A 17 10.577 6.396 7.896 1.00 63.55 H new ATOM 265 N ALA A 18 6.671 8.297 9.270 1.00 5.54 N ATOM 266 CA ALA A 18 5.409 8.634 8.632 1.00 14.53 C ATOM 267 C ALA A 18 5.558 9.688 7.529 1.00 34.53 C ATOM 268 O ALA A 18 5.126 9.451 6.402 1.00 41.11 O ATOM 269 CB ALA A 18 4.448 9.115 9.713 1.00 2.10 C ATOM 0 H ALA A 18 6.679 8.501 10.269 1.00 5.54 H new ATOM 0 HA ALA A 18 5.022 7.743 8.137 1.00 14.53 H new ATOM 0 HB1 ALA A 18 3.491 9.375 9.260 1.00 2.10 H new ATOM 0 HB2 ALA A 18 4.299 8.322 10.446 1.00 2.10 H new ATOM 0 HB3 ALA A 18 4.866 9.992 10.207 1.00 2.10 H new ATOM 275 N SER A 19 6.141 10.858 7.814 1.00 64.42 N ATOM 276 CA SER A 19 6.208 11.916 6.801 1.00 74.42 C ATOM 277 C SER A 19 7.048 11.468 5.601 1.00 32.40 C ATOM 278 O SER A 19 6.696 11.779 4.463 1.00 2.13 O ATOM 279 CB SER A 19 6.742 13.214 7.406 1.00 40.13 C ATOM 280 OG SER A 19 8.039 13.023 7.936 1.00 20.30 O ATOM 0 H SER A 19 6.563 11.093 8.713 1.00 64.42 H new ATOM 0 HA SER A 19 5.198 12.111 6.441 1.00 74.42 H new ATOM 0 HB2 SER A 19 6.766 13.993 6.644 1.00 40.13 H new ATOM 0 HB3 SER A 19 6.070 13.558 8.192 1.00 40.13 H new ATOM 0 HG SER A 19 8.364 13.865 8.317 1.00 20.30 H new ATOM 286 N PHE A 20 8.120 10.703 5.847 1.00 32.12 N ATOM 287 CA PHE A 20 8.970 10.110 4.824 1.00 24.41 C ATOM 288 C PHE A 20 8.167 9.144 3.958 1.00 0.11 C ATOM 289 O PHE A 20 8.243 9.258 2.735 1.00 21.24 O ATOM 290 CB PHE A 20 10.156 9.389 5.472 1.00 0.31 C ATOM 291 CG PHE A 20 10.964 8.532 4.512 1.00 23.14 C ATOM 292 CD1 PHE A 20 11.971 9.113 3.724 1.00 62.43 C ATOM 293 CD2 PHE A 20 10.689 7.157 4.383 1.00 24.24 C ATOM 294 CE1 PHE A 20 12.709 8.324 2.822 1.00 4.04 C ATOM 295 CE2 PHE A 20 11.412 6.373 3.464 1.00 61.11 C ATOM 296 CZ PHE A 20 12.433 6.953 2.693 1.00 22.35 C ATOM 0 H PHE A 20 8.423 10.477 6.794 1.00 32.12 H new ATOM 0 HA PHE A 20 9.354 10.906 4.186 1.00 24.41 H new ATOM 0 HB2 PHE A 20 10.816 10.131 5.922 1.00 0.31 H new ATOM 0 HB3 PHE A 20 9.786 8.759 6.281 1.00 0.31 H new ATOM 0 HD1 PHE A 20 12.180 10.169 3.811 1.00 62.43 H new ATOM 0 HD2 PHE A 20 9.921 6.702 4.991 1.00 24.24 H new ATOM 0 HE1 PHE A 20 13.490 8.774 2.227 1.00 4.04 H new ATOM 0 HE2 PHE A 20 11.181 5.324 3.352 1.00 61.11 H new ATOM 0 HZ PHE A 20 13.003 6.347 2.004 1.00 22.35 H new ATOM 306 N GLN A 21 7.392 8.231 4.569 1.00 1.10 N ATOM 307 CA GLN A 21 6.470 7.337 3.873 1.00 33.10 C ATOM 308 C GLN A 21 5.679 8.158 2.852 1.00 53.01 C ATOM 309 O GLN A 21 5.799 7.924 1.648 1.00 24.11 O ATOM 310 CB GLN A 21 5.609 6.528 4.869 1.00 22.13 C ATOM 311 CG GLN A 21 4.459 5.767 4.178 1.00 41.25 C ATOM 312 CD GLN A 21 4.071 4.410 4.764 1.00 73.54 C ATOM 313 OE1 GLN A 21 2.909 4.021 4.670 1.00 63.51 O ATOM 314 NE2 GLN A 21 5.006 3.644 5.294 1.00 20.40 N ATOM 0 H GLN A 21 7.394 8.097 5.580 1.00 1.10 H new ATOM 0 HA GLN A 21 7.012 6.572 3.317 1.00 33.10 H new ATOM 0 HB2 GLN A 21 6.244 5.817 5.398 1.00 22.13 H new ATOM 0 HB3 GLN A 21 5.195 7.204 5.617 1.00 22.13 H new ATOM 0 HG2 GLN A 21 3.576 6.406 4.190 1.00 41.25 H new ATOM 0 HG3 GLN A 21 4.731 5.619 3.133 1.00 41.25 H new ATOM 0 HE21 GLN A 21 5.965 3.984 5.364 1.00 20.40 H new ATOM 0 HE22 GLN A 21 4.770 2.712 5.634 1.00 20.40 H new ATOM 323 N TYR A 22 4.953 9.175 3.315 1.00 31.23 N ATOM 324 CA TYR A 22 4.174 10.058 2.459 1.00 20.11 C ATOM 325 C TYR A 22 5.002 10.783 1.397 1.00 51.12 C ATOM 326 O TYR A 22 4.549 10.912 0.259 1.00 51.45 O ATOM 327 CB TYR A 22 3.416 11.057 3.332 1.00 4.11 C ATOM 328 CG TYR A 22 2.177 10.467 3.949 1.00 43.31 C ATOM 329 CD1 TYR A 22 1.128 10.073 3.104 1.00 43.42 C ATOM 330 CD2 TYR A 22 2.052 10.336 5.342 1.00 43.44 C ATOM 331 CE1 TYR A 22 -0.070 9.603 3.651 1.00 15.10 C ATOM 332 CE2 TYR A 22 0.855 9.853 5.892 1.00 35.30 C ATOM 333 CZ TYR A 22 -0.227 9.510 5.053 1.00 0.40 C ATOM 334 OH TYR A 22 -1.404 9.087 5.588 1.00 0.43 O ATOM 0 H TYR A 22 4.891 9.408 4.306 1.00 31.23 H new ATOM 0 HA TYR A 22 3.477 9.432 1.901 1.00 20.11 H new ATOM 0 HB2 TYR A 22 4.075 11.415 4.123 1.00 4.11 H new ATOM 0 HB3 TYR A 22 3.140 11.923 2.730 1.00 4.11 H new ATOM 0 HD1 TYR A 22 1.246 10.133 2.032 1.00 43.42 H new ATOM 0 HD2 TYR A 22 2.875 10.606 5.988 1.00 43.44 H new ATOM 0 HE1 TYR A 22 -0.880 9.310 2.999 1.00 15.10 H new ATOM 0 HE2 TYR A 22 0.761 9.743 6.962 1.00 35.30 H new ATOM 0 HH TYR A 22 -1.336 9.082 6.566 1.00 0.43 H new ATOM 344 N SER A 23 6.195 11.272 1.729 1.00 74.32 N ATOM 345 CA SER A 23 7.069 12.012 0.820 1.00 40.23 C ATOM 346 C SER A 23 7.602 11.111 -0.310 1.00 41.41 C ATOM 347 O SER A 23 8.084 11.591 -1.339 1.00 53.45 O ATOM 348 CB SER A 23 8.205 12.607 1.663 1.00 63.41 C ATOM 349 OG SER A 23 8.852 13.714 1.066 1.00 74.41 O ATOM 0 H SER A 23 6.591 11.162 2.662 1.00 74.32 H new ATOM 0 HA SER A 23 6.515 12.809 0.324 1.00 40.23 H new ATOM 0 HB2 SER A 23 7.803 12.913 2.629 1.00 63.41 H new ATOM 0 HB3 SER A 23 8.944 11.830 1.857 1.00 63.41 H new ATOM 0 HG SER A 23 9.560 14.039 1.660 1.00 74.41 H new ATOM 355 N ARG A 24 7.530 9.787 -0.146 1.00 21.31 N ATOM 356 CA ARG A 24 7.983 8.826 -1.137 1.00 33.24 C ATOM 357 C ARG A 24 6.869 8.501 -2.134 1.00 20.55 C ATOM 358 O ARG A 24 7.147 7.867 -3.146 1.00 62.34 O ATOM 359 CB ARG A 24 8.480 7.568 -0.386 1.00 74.33 C ATOM 360 CG ARG A 24 9.774 6.946 -0.931 1.00 53.33 C ATOM 361 CD ARG A 24 11.063 7.691 -0.562 1.00 42.43 C ATOM 362 NE ARG A 24 11.256 8.889 -1.391 1.00 24.53 N ATOM 363 CZ ARG A 24 11.453 10.145 -0.972 1.00 71.54 C ATOM 364 NH1 ARG A 24 11.704 10.414 0.308 1.00 0.04 N ATOM 365 NH2 ARG A 24 11.380 11.131 -1.848 1.00 42.33 N ATOM 0 H ARG A 24 7.148 9.353 0.695 1.00 21.31 H new ATOM 0 HA ARG A 24 8.802 9.241 -1.725 1.00 33.24 H new ATOM 0 HB2 ARG A 24 8.634 7.828 0.661 1.00 74.33 H new ATOM 0 HB3 ARG A 24 7.694 6.814 -0.415 1.00 74.33 H new ATOM 0 HG2 ARG A 24 9.848 5.922 -0.565 1.00 53.33 H new ATOM 0 HG3 ARG A 24 9.703 6.892 -2.017 1.00 53.33 H new ATOM 0 HD2 ARG A 24 11.029 7.978 0.489 1.00 42.43 H new ATOM 0 HD3 ARG A 24 11.916 7.024 -0.683 1.00 42.43 H new ATOM 0 HE ARG A 24 11.238 8.747 -2.401 1.00 24.53 H new ATOM 0 HH11 ARG A 24 11.749 9.656 0.989 1.00 0.04 H new ATOM 0 HH12 ARG A 24 11.851 11.378 0.607 1.00 0.04 H new ATOM 0 HH21 ARG A 24 11.176 10.929 -2.827 1.00 42.33 H new ATOM 0 HH22 ARG A 24 11.527 12.094 -1.546 1.00 42.33 H new ATOM 379 N ILE A 25 5.613 8.871 -1.878 1.00 73.12 N ATOM 380 CA ILE A 25 4.468 8.348 -2.623 1.00 31.13 C ATOM 381 C ILE A 25 3.957 9.433 -3.565 1.00 0.10 C ATOM 382 O ILE A 25 3.855 10.600 -3.183 1.00 54.32 O ATOM 383 CB ILE A 25 3.395 7.829 -1.643 1.00 24.54 C ATOM 384 CG1 ILE A 25 3.957 6.671 -0.789 1.00 61.25 C ATOM 385 CG2 ILE A 25 2.174 7.292 -2.406 1.00 11.42 C ATOM 386 CD1 ILE A 25 3.205 6.500 0.518 1.00 52.53 C ATOM 0 H ILE A 25 5.362 9.540 -1.150 1.00 73.12 H new ATOM 0 HA ILE A 25 4.756 7.495 -3.237 1.00 31.13 H new ATOM 0 HB ILE A 25 3.105 8.666 -1.008 1.00 24.54 H new ATOM 0 HG12 ILE A 25 3.905 5.744 -1.359 1.00 61.25 H new ATOM 0 HG13 ILE A 25 5.010 6.856 -0.578 1.00 61.25 H new ATOM 0 HG21 ILE A 25 1.430 6.931 -1.695 1.00 11.42 H new ATOM 0 HG22 ILE A 25 1.742 8.090 -3.009 1.00 11.42 H new ATOM 0 HG23 ILE A 25 2.482 6.473 -3.055 1.00 11.42 H new ATOM 0 HD11 ILE A 25 3.638 5.674 1.082 1.00 52.53 H new ATOM 0 HD12 ILE A 25 3.279 7.417 1.103 1.00 52.53 H new ATOM 0 HD13 ILE A 25 2.157 6.287 0.309 1.00 52.53 H new ATOM 398 N LYS A 26 3.667 9.052 -4.809 1.00 51.34 N ATOM 399 CA LYS A 26 3.156 9.926 -5.844 1.00 63.44 C ATOM 400 C LYS A 26 1.766 10.424 -5.450 1.00 24.41 C ATOM 401 O LYS A 26 1.105 9.870 -4.564 1.00 33.51 O ATOM 402 CB LYS A 26 3.145 9.134 -7.173 1.00 34.45 C ATOM 403 CG LYS A 26 3.649 9.960 -8.361 1.00 74.31 C ATOM 404 CD LYS A 26 5.178 9.863 -8.462 1.00 52.03 C ATOM 405 CE LYS A 26 5.801 10.988 -9.277 1.00 40.04 C ATOM 406 NZ LYS A 26 5.440 10.960 -10.709 1.00 21.20 N ATOM 0 H LYS A 26 3.789 8.090 -5.127 1.00 51.34 H new ATOM 0 HA LYS A 26 3.785 10.807 -5.971 1.00 63.44 H new ATOM 0 HB2 LYS A 26 3.766 8.244 -7.066 1.00 34.45 H new ATOM 0 HB3 LYS A 26 2.131 8.792 -7.378 1.00 34.45 H new ATOM 0 HG2 LYS A 26 3.193 9.601 -9.283 1.00 74.31 H new ATOM 0 HG3 LYS A 26 3.350 11.002 -8.242 1.00 74.31 H new ATOM 0 HD2 LYS A 26 5.603 9.873 -7.458 1.00 52.03 H new ATOM 0 HD3 LYS A 26 5.445 8.907 -8.912 1.00 52.03 H new ATOM 0 HE2 LYS A 26 5.493 11.944 -8.853 1.00 40.04 H new ATOM 0 HE3 LYS A 26 6.886 10.933 -9.185 1.00 40.04 H new ATOM 0 HZ1 LYS A 26 5.900 11.754 -11.199 1.00 21.20 H new ATOM 0 HZ2 LYS A 26 5.757 10.063 -11.130 1.00 21.20 H new ATOM 0 HZ3 LYS A 26 4.408 11.043 -10.809 1.00 21.20 H new ATOM 420 N PHE A 27 1.300 11.469 -6.121 1.00 71.31 N ATOM 421 CA PHE A 27 -0.044 11.973 -5.954 1.00 33.33 C ATOM 422 C PHE A 27 -0.495 12.562 -7.291 1.00 35.34 C ATOM 423 O PHE A 27 0.164 13.475 -7.791 1.00 20.13 O ATOM 424 CB PHE A 27 -0.085 13.000 -4.812 1.00 12.23 C ATOM 425 CG PHE A 27 1.040 14.028 -4.779 1.00 35.44 C ATOM 426 CD1 PHE A 27 0.929 15.236 -5.493 1.00 14.33 C ATOM 427 CD2 PHE A 27 2.211 13.767 -4.036 1.00 53.13 C ATOM 428 CE1 PHE A 27 1.997 16.150 -5.504 1.00 51.12 C ATOM 429 CE2 PHE A 27 3.267 14.696 -4.030 1.00 41.05 C ATOM 430 CZ PHE A 27 3.164 15.882 -4.773 1.00 0.33 C ATOM 0 H PHE A 27 1.854 11.990 -6.801 1.00 71.31 H new ATOM 0 HA PHE A 27 -0.732 11.175 -5.675 1.00 33.33 H new ATOM 0 HB2 PHE A 27 -1.033 13.534 -4.868 1.00 12.23 H new ATOM 0 HB3 PHE A 27 -0.080 12.458 -3.866 1.00 12.23 H new ATOM 0 HD1 PHE A 27 0.021 15.461 -6.033 1.00 14.33 H new ATOM 0 HD2 PHE A 27 2.297 12.851 -3.470 1.00 53.13 H new ATOM 0 HE1 PHE A 27 1.919 17.062 -6.077 1.00 51.12 H new ATOM 0 HE2 PHE A 27 4.158 14.496 -3.453 1.00 41.05 H new ATOM 0 HZ PHE A 27 3.982 16.587 -4.782 1.00 0.33 H new ATOM 440 N PRO A 28 -1.595 12.083 -7.894 1.00 24.31 N ATOM 441 CA PRO A 28 -2.324 10.868 -7.541 1.00 54.41 C ATOM 442 C PRO A 28 -1.514 9.605 -7.866 1.00 4.42 C ATOM 443 O PRO A 28 -0.348 9.691 -8.266 1.00 40.04 O ATOM 444 CB PRO A 28 -3.618 10.950 -8.341 1.00 1.01 C ATOM 445 CG PRO A 28 -3.217 11.704 -9.595 1.00 31.13 C ATOM 446 CD PRO A 28 -2.172 12.688 -9.085 1.00 13.01 C ATOM 0 HA PRO A 28 -2.518 10.799 -6.471 1.00 54.41 H new ATOM 0 HB2 PRO A 28 -4.007 9.959 -8.576 1.00 1.01 H new ATOM 0 HB3 PRO A 28 -4.397 11.476 -7.789 1.00 1.01 H new ATOM 0 HG2 PRO A 28 -2.807 11.037 -10.353 1.00 31.13 H new ATOM 0 HG3 PRO A 28 -4.067 12.216 -10.047 1.00 31.13 H new ATOM 0 HD2 PRO A 28 -1.407 12.870 -9.840 1.00 13.01 H new ATOM 0 HD3 PRO A 28 -2.625 13.652 -8.852 1.00 13.01 H new ATOM 454 N LEU A 29 -2.129 8.438 -7.672 1.00 41.02 N ATOM 455 CA LEU A 29 -1.569 7.125 -8.002 1.00 3.32 C ATOM 456 C LEU A 29 -2.283 6.548 -9.218 1.00 51.12 C ATOM 457 O LEU A 29 -3.420 6.931 -9.510 1.00 45.04 O ATOM 458 CB LEU A 29 -1.717 6.180 -6.801 1.00 4.03 C ATOM 459 CG LEU A 29 -0.863 6.644 -5.609 1.00 73.41 C ATOM 460 CD1 LEU A 29 -1.410 6.042 -4.315 1.00 1.21 C ATOM 461 CD2 LEU A 29 0.605 6.265 -5.804 1.00 4.43 C ATOM 0 H LEU A 29 -3.063 8.378 -7.267 1.00 41.02 H new ATOM 0 HA LEU A 29 -0.510 7.235 -8.236 1.00 3.32 H new ATOM 0 HB2 LEU A 29 -2.764 6.131 -6.502 1.00 4.03 H new ATOM 0 HB3 LEU A 29 -1.421 5.172 -7.091 1.00 4.03 H new ATOM 0 HG LEU A 29 -0.917 7.731 -5.545 1.00 73.41 H new ATOM 0 HD11 LEU A 29 -0.802 6.374 -3.474 1.00 1.21 H new ATOM 0 HD12 LEU A 29 -2.440 6.368 -4.169 1.00 1.21 H new ATOM 0 HD13 LEU A 29 -1.379 4.954 -4.378 1.00 1.21 H new ATOM 0 HD21 LEU A 29 1.186 6.605 -4.947 1.00 4.43 H new ATOM 0 HD22 LEU A 29 0.692 5.182 -5.895 1.00 4.43 H new ATOM 0 HD23 LEU A 29 0.985 6.737 -6.710 1.00 4.43 H new ATOM 473 N LYS A 30 -1.613 5.627 -9.914 1.00 15.04 N ATOM 474 CA LYS A 30 -2.073 5.089 -11.200 1.00 54.13 C ATOM 475 C LYS A 30 -3.227 4.084 -11.081 1.00 4.45 C ATOM 476 O LYS A 30 -3.890 3.809 -12.087 1.00 33.12 O ATOM 477 CB LYS A 30 -0.891 4.511 -11.976 1.00 42.41 C ATOM 478 CG LYS A 30 -0.012 5.616 -12.582 1.00 63.22 C ATOM 479 CD LYS A 30 1.105 5.029 -13.449 1.00 24.21 C ATOM 480 CE LYS A 30 2.033 6.144 -13.949 1.00 61.54 C ATOM 481 NZ LYS A 30 3.108 5.629 -14.823 1.00 33.40 N ATOM 0 H LYS A 30 -0.728 5.229 -9.600 1.00 15.04 H new ATOM 0 HA LYS A 30 -2.494 5.925 -11.759 1.00 54.13 H new ATOM 0 HB2 LYS A 30 -0.289 3.890 -11.312 1.00 42.41 H new ATOM 0 HB3 LYS A 30 -1.260 3.863 -12.771 1.00 42.41 H new ATOM 0 HG2 LYS A 30 -0.628 6.284 -13.183 1.00 63.22 H new ATOM 0 HG3 LYS A 30 0.423 6.216 -11.783 1.00 63.22 H new ATOM 0 HD2 LYS A 30 1.677 4.301 -12.873 1.00 24.21 H new ATOM 0 HD3 LYS A 30 0.675 4.497 -14.297 1.00 24.21 H new ATOM 0 HE2 LYS A 30 1.447 6.884 -14.495 1.00 61.54 H new ATOM 0 HE3 LYS A 30 2.476 6.655 -13.094 1.00 61.54 H new ATOM 0 HZ1 LYS A 30 3.709 6.418 -15.136 1.00 33.40 H new ATOM 0 HZ2 LYS A 30 3.685 4.942 -14.296 1.00 33.40 H new ATOM 0 HZ3 LYS A 30 2.688 5.164 -15.653 1.00 33.40 H new ATOM 495 N SER A 31 -3.499 3.593 -9.878 1.00 20.22 N ATOM 496 CA SER A 31 -4.646 2.804 -9.468 1.00 34.10 C ATOM 497 C SER A 31 -5.683 3.750 -8.857 1.00 72.24 C ATOM 498 O SER A 31 -5.573 4.071 -7.673 1.00 1.24 O ATOM 499 CB SER A 31 -4.242 1.685 -8.499 1.00 40.33 C ATOM 500 OG SER A 31 -5.335 0.815 -8.284 1.00 23.22 O ATOM 0 H SER A 31 -2.863 3.754 -9.097 1.00 20.22 H new ATOM 0 HA SER A 31 -5.081 2.304 -10.333 1.00 34.10 H new ATOM 0 HB2 SER A 31 -3.398 1.128 -8.905 1.00 40.33 H new ATOM 0 HB3 SER A 31 -3.915 2.113 -7.551 1.00 40.33 H new ATOM 0 HG SER A 31 -5.069 0.103 -7.666 1.00 23.22 H new ATOM 506 N PRO A 32 -6.600 4.363 -9.624 1.00 51.02 N ATOM 507 CA PRO A 32 -7.829 4.825 -9.003 1.00 42.54 C ATOM 508 C PRO A 32 -8.525 3.639 -8.318 1.00 52.34 C ATOM 509 O PRO A 32 -8.526 2.518 -8.836 1.00 1.43 O ATOM 510 CB PRO A 32 -8.668 5.412 -10.132 1.00 43.13 C ATOM 511 CG PRO A 32 -8.224 4.625 -11.362 1.00 4.01 C ATOM 512 CD PRO A 32 -6.754 4.321 -11.069 1.00 21.34 C ATOM 0 HA PRO A 32 -7.661 5.577 -8.232 1.00 42.54 H new ATOM 0 HB2 PRO A 32 -9.735 5.290 -9.943 1.00 43.13 H new ATOM 0 HB3 PRO A 32 -8.485 6.480 -10.253 1.00 43.13 H new ATOM 0 HG2 PRO A 32 -8.807 3.713 -11.488 1.00 4.01 H new ATOM 0 HG3 PRO A 32 -8.341 5.207 -12.276 1.00 4.01 H new ATOM 0 HD2 PRO A 32 -6.476 3.342 -11.460 1.00 21.34 H new ATOM 0 HD3 PRO A 32 -6.104 5.053 -11.549 1.00 21.34 H new ATOM 520 N ILE A 33 -9.116 3.918 -7.157 1.00 61.13 N ATOM 521 CA ILE A 33 -9.940 2.989 -6.380 1.00 32.10 C ATOM 522 C ILE A 33 -11.207 2.745 -7.214 1.00 63.14 C ATOM 523 O ILE A 33 -11.654 3.680 -7.884 1.00 53.34 O ATOM 524 CB ILE A 33 -10.251 3.643 -5.006 1.00 61.14 C ATOM 525 CG1 ILE A 33 -8.967 4.008 -4.226 1.00 0.44 C ATOM 526 CG2 ILE A 33 -11.119 2.755 -4.106 1.00 44.05 C ATOM 527 CD1 ILE A 33 -9.206 4.904 -3.005 1.00 34.23 C ATOM 0 H ILE A 33 -9.032 4.833 -6.713 1.00 61.13 H new ATOM 0 HA ILE A 33 -9.449 2.037 -6.180 1.00 32.10 H new ATOM 0 HB ILE A 33 -10.803 4.550 -5.251 1.00 61.14 H new ATOM 0 HG12 ILE A 33 -8.481 3.089 -3.899 1.00 0.44 H new ATOM 0 HG13 ILE A 33 -8.276 4.511 -4.902 1.00 0.44 H new ATOM 0 HG21 ILE A 33 -11.303 3.265 -3.160 1.00 44.05 H new ATOM 0 HG22 ILE A 33 -12.069 2.554 -4.601 1.00 44.05 H new ATOM 0 HG23 ILE A 33 -10.603 1.814 -3.916 1.00 44.05 H new ATOM 0 HD11 ILE A 33 -8.255 5.112 -2.515 1.00 34.23 H new ATOM 0 HD12 ILE A 33 -9.662 5.841 -3.325 1.00 34.23 H new ATOM 0 HD13 ILE A 33 -9.871 4.397 -2.306 1.00 34.23 H new ATOM 539 N ALA A 34 -11.812 1.553 -7.182 1.00 13.34 N ATOM 540 CA ALA A 34 -12.946 1.206 -8.038 1.00 40.23 C ATOM 541 C ALA A 34 -13.947 0.297 -7.323 1.00 4.03 C ATOM 542 O ALA A 34 -13.674 -0.892 -7.164 1.00 2.30 O ATOM 543 CB ALA A 34 -12.435 0.540 -9.320 1.00 31.41 C ATOM 0 H ALA A 34 -11.525 0.799 -6.557 1.00 13.34 H new ATOM 0 HA ALA A 34 -13.474 2.126 -8.289 1.00 40.23 H new ATOM 0 HB1 ALA A 34 -13.280 0.282 -9.958 1.00 31.41 H new ATOM 0 HB2 ALA A 34 -11.778 1.229 -9.851 1.00 31.41 H new ATOM 0 HB3 ALA A 34 -11.883 -0.365 -9.065 1.00 31.41 H new ATOM 549 N LEU A 35 -15.091 0.849 -6.891 1.00 31.21 N ATOM 550 CA LEU A 35 -16.101 0.128 -6.109 1.00 23.53 C ATOM 551 C LEU A 35 -17.415 0.008 -6.877 1.00 0.24 C ATOM 552 O LEU A 35 -17.511 0.412 -8.038 1.00 1.54 O ATOM 553 CB LEU A 35 -16.388 0.784 -4.746 1.00 51.53 C ATOM 554 CG LEU A 35 -15.224 1.162 -3.833 1.00 34.13 C ATOM 555 CD1 LEU A 35 -14.142 0.093 -3.744 1.00 12.50 C ATOM 556 CD2 LEU A 35 -14.668 2.534 -4.175 1.00 33.43 C ATOM 0 H LEU A 35 -15.342 1.820 -7.078 1.00 31.21 H new ATOM 0 HA LEU A 35 -15.678 -0.861 -5.931 1.00 23.53 H new ATOM 0 HB2 LEU A 35 -16.963 1.691 -4.935 1.00 51.53 H new ATOM 0 HB3 LEU A 35 -17.035 0.107 -4.188 1.00 51.53 H new ATOM 0 HG LEU A 35 -15.637 1.223 -2.826 1.00 34.13 H new ATOM 0 HD11 LEU A 35 -13.349 0.433 -3.078 1.00 12.50 H new ATOM 0 HD12 LEU A 35 -14.573 -0.829 -3.354 1.00 12.50 H new ATOM 0 HD13 LEU A 35 -13.729 -0.090 -4.736 1.00 12.50 H new ATOM 0 HD21 LEU A 35 -13.841 2.769 -3.505 1.00 33.43 H new ATOM 0 HD22 LEU A 35 -14.312 2.536 -5.205 1.00 33.43 H new ATOM 0 HD23 LEU A 35 -15.452 3.283 -4.061 1.00 33.43 H new ATOM 568 N LEU A 36 -18.426 -0.532 -6.196 1.00 44.32 N ATOM 569 CA LEU A 36 -19.715 -0.941 -6.718 1.00 1.51 C ATOM 570 C LEU A 36 -20.783 0.026 -6.210 1.00 0.54 C ATOM 571 O LEU A 36 -20.843 0.329 -5.018 1.00 2.04 O ATOM 572 CB LEU A 36 -19.944 -2.408 -6.295 1.00 45.04 C ATOM 573 CG LEU A 36 -19.520 -3.381 -7.409 1.00 5.01 C ATOM 574 CD1 LEU A 36 -18.055 -3.243 -7.827 1.00 43.45 C ATOM 575 CD2 LEU A 36 -19.778 -4.825 -6.979 1.00 34.53 C ATOM 0 H LEU A 36 -18.353 -0.704 -5.193 1.00 44.32 H new ATOM 0 HA LEU A 36 -19.762 -0.902 -7.806 1.00 1.51 H new ATOM 0 HB2 LEU A 36 -19.378 -2.620 -5.388 1.00 45.04 H new ATOM 0 HB3 LEU A 36 -20.997 -2.560 -6.057 1.00 45.04 H new ATOM 0 HG LEU A 36 -20.127 -3.118 -8.275 1.00 5.01 H new ATOM 0 HD11 LEU A 36 -17.832 -3.962 -8.616 1.00 43.45 H new ATOM 0 HD12 LEU A 36 -17.875 -2.233 -8.195 1.00 43.45 H new ATOM 0 HD13 LEU A 36 -17.412 -3.436 -6.968 1.00 43.45 H new ATOM 0 HD21 LEU A 36 -19.473 -5.502 -7.777 1.00 34.53 H new ATOM 0 HD22 LEU A 36 -19.205 -5.044 -6.078 1.00 34.53 H new ATOM 0 HD23 LEU A 36 -20.840 -4.960 -6.775 1.00 34.53 H new ATOM 587 N LYS A 37 -21.581 0.566 -7.136 1.00 2.33 N ATOM 588 CA LYS A 37 -22.611 1.591 -6.938 1.00 32.21 C ATOM 589 C LYS A 37 -23.911 1.032 -6.342 1.00 74.11 C ATOM 590 O LYS A 37 -24.989 1.505 -6.708 1.00 0.12 O ATOM 591 CB LYS A 37 -22.867 2.295 -8.290 1.00 43.32 C ATOM 592 CG LYS A 37 -21.692 3.186 -8.700 1.00 62.21 C ATOM 593 CD LYS A 37 -21.823 3.731 -10.126 1.00 32.30 C ATOM 594 CE LYS A 37 -21.809 5.261 -10.177 1.00 61.21 C ATOM 595 NZ LYS A 37 -23.079 5.847 -9.713 1.00 55.33 N ATOM 0 H LYS A 37 -21.520 0.278 -8.113 1.00 2.33 H new ATOM 0 HA LYS A 37 -22.245 2.309 -6.204 1.00 32.21 H new ATOM 0 HB2 LYS A 37 -23.041 1.546 -9.062 1.00 43.32 H new ATOM 0 HB3 LYS A 37 -23.773 2.898 -8.220 1.00 43.32 H new ATOM 0 HG2 LYS A 37 -21.616 4.021 -8.003 1.00 62.21 H new ATOM 0 HG3 LYS A 37 -20.766 2.617 -8.618 1.00 62.21 H new ATOM 0 HD2 LYS A 37 -21.006 3.344 -10.735 1.00 32.30 H new ATOM 0 HD3 LYS A 37 -22.750 3.365 -10.567 1.00 32.30 H new ATOM 0 HE2 LYS A 37 -20.992 5.636 -9.561 1.00 61.21 H new ATOM 0 HE3 LYS A 37 -21.613 5.587 -11.199 1.00 61.21 H new ATOM 0 HZ1 LYS A 37 -23.022 6.884 -9.765 1.00 55.33 H new ATOM 0 HZ2 LYS A 37 -23.857 5.512 -10.316 1.00 55.33 H new ATOM 0 HZ3 LYS A 37 -23.255 5.559 -8.729 1.00 55.33 H new ATOM 609 N ASP A 38 -23.832 0.088 -5.406 1.00 20.41 N ATOM 610 CA ASP A 38 -24.993 -0.504 -4.729 1.00 24.35 C ATOM 611 C ASP A 38 -26.034 -0.998 -5.752 1.00 63.24 C ATOM 612 O ASP A 38 -27.229 -0.735 -5.625 1.00 34.15 O ATOM 613 CB ASP A 38 -25.547 0.503 -3.695 1.00 32.25 C ATOM 614 CG ASP A 38 -26.642 -0.048 -2.774 1.00 72.22 C ATOM 615 OD1 ASP A 38 -26.798 -1.287 -2.657 1.00 13.13 O ATOM 616 OD2 ASP A 38 -27.285 0.775 -2.069 1.00 40.01 O ATOM 0 H ASP A 38 -22.943 -0.297 -5.088 1.00 20.41 H new ATOM 0 HA ASP A 38 -24.697 -1.395 -4.175 1.00 24.35 H new ATOM 0 HB2 ASP A 38 -24.721 0.859 -3.079 1.00 32.25 H new ATOM 0 HB3 ASP A 38 -25.943 1.367 -4.228 1.00 32.25 H new ATOM 621 N ASP A 39 -25.578 -1.665 -6.819 1.00 60.24 N ATOM 622 CA ASP A 39 -26.392 -2.168 -7.929 1.00 23.22 C ATOM 623 C ASP A 39 -25.872 -3.537 -8.413 1.00 41.54 C ATOM 624 O ASP A 39 -26.397 -4.117 -9.362 1.00 43.01 O ATOM 625 CB ASP A 39 -26.424 -1.125 -9.047 1.00 54.51 C ATOM 626 CG ASP A 39 -27.512 -1.384 -10.086 1.00 31.12 C ATOM 627 OD1 ASP A 39 -28.692 -1.077 -9.801 1.00 13.14 O ATOM 628 OD2 ASP A 39 -27.189 -1.800 -11.224 1.00 61.14 O ATOM 0 H ASP A 39 -24.587 -1.878 -6.936 1.00 60.24 H new ATOM 0 HA ASP A 39 -27.416 -2.330 -7.591 1.00 23.22 H new ATOM 0 HB2 ASP A 39 -26.577 -0.139 -8.609 1.00 54.51 H new ATOM 0 HB3 ASP A 39 -25.454 -1.106 -9.544 1.00 54.51 H new ATOM 633 N GLY A 40 -24.831 -4.073 -7.766 1.00 52.01 N ATOM 634 CA GLY A 40 -24.075 -5.241 -8.188 1.00 34.42 C ATOM 635 C GLY A 40 -23.071 -4.873 -9.275 1.00 52.22 C ATOM 636 O GLY A 40 -22.107 -4.196 -8.953 1.00 33.11 O ATOM 0 H GLY A 40 -24.482 -3.679 -6.892 1.00 52.01 H new ATOM 0 HA2 GLY A 40 -23.552 -5.669 -7.333 1.00 34.42 H new ATOM 0 HA3 GLY A 40 -24.757 -6.006 -8.560 1.00 34.42 H new ATOM 640 N GLU A 41 -23.249 -5.290 -10.531 1.00 1.34 N ATOM 641 CA GLU A 41 -22.204 -5.303 -11.585 1.00 0.21 C ATOM 642 C GLU A 41 -21.878 -3.924 -12.213 1.00 61.32 C ATOM 643 O GLU A 41 -21.718 -3.772 -13.433 1.00 3.14 O ATOM 644 CB GLU A 41 -22.545 -6.322 -12.684 1.00 40.24 C ATOM 645 CG GLU A 41 -22.381 -7.797 -12.299 1.00 13.42 C ATOM 646 CD GLU A 41 -22.384 -8.651 -13.570 1.00 65.22 C ATOM 647 OE1 GLU A 41 -21.326 -8.786 -14.226 1.00 20.41 O ATOM 648 OE2 GLU A 41 -23.473 -9.068 -14.027 1.00 42.22 O ATOM 0 H GLU A 41 -24.147 -5.640 -10.863 1.00 1.34 H new ATOM 0 HA GLU A 41 -21.295 -5.602 -11.064 1.00 0.21 H new ATOM 0 HB2 GLU A 41 -23.577 -6.160 -12.996 1.00 40.24 H new ATOM 0 HB3 GLU A 41 -21.914 -6.119 -13.550 1.00 40.24 H new ATOM 0 HG2 GLU A 41 -21.450 -7.941 -11.752 1.00 13.42 H new ATOM 0 HG3 GLU A 41 -23.191 -8.105 -11.637 1.00 13.42 H new ATOM 655 N THR A 42 -21.750 -2.894 -11.390 1.00 20.44 N ATOM 656 CA THR A 42 -21.521 -1.520 -11.815 1.00 72.42 C ATOM 657 C THR A 42 -20.068 -1.099 -11.576 1.00 42.13 C ATOM 658 O THR A 42 -19.442 -1.452 -10.572 1.00 61.35 O ATOM 659 CB THR A 42 -22.537 -0.571 -11.151 1.00 45.42 C ATOM 660 OG1 THR A 42 -23.004 -1.079 -9.927 1.00 40.21 O ATOM 661 CG2 THR A 42 -23.787 -0.381 -12.009 1.00 11.04 C ATOM 0 H THR A 42 -21.804 -2.994 -10.376 1.00 20.44 H new ATOM 0 HA THR A 42 -21.683 -1.456 -12.891 1.00 72.42 H new ATOM 0 HB THR A 42 -21.997 0.367 -11.018 1.00 45.42 H new ATOM 0 HG1 THR A 42 -22.249 -1.200 -9.314 1.00 40.21 H new ATOM 0 HG21 THR A 42 -24.476 0.295 -11.503 1.00 11.04 H new ATOM 0 HG22 THR A 42 -23.506 0.042 -12.973 1.00 11.04 H new ATOM 0 HG23 THR A 42 -24.272 -1.345 -12.164 1.00 11.04 H new ATOM 669 N GLU A 43 -19.534 -0.331 -12.523 1.00 0.55 N ATOM 670 CA GLU A 43 -18.191 0.241 -12.513 1.00 5.54 C ATOM 671 C GLU A 43 -18.210 1.673 -11.983 1.00 74.12 C ATOM 672 O GLU A 43 -19.204 2.385 -12.147 1.00 61.23 O ATOM 673 CB GLU A 43 -17.610 0.195 -13.931 1.00 22.35 C ATOM 674 CG GLU A 43 -18.251 1.181 -14.916 1.00 43.01 C ATOM 675 CD GLU A 43 -17.953 0.732 -16.339 1.00 23.23 C ATOM 676 OE1 GLU A 43 -16.815 0.960 -16.804 1.00 60.14 O ATOM 677 OE2 GLU A 43 -18.811 0.051 -16.957 1.00 72.15 O ATOM 0 H GLU A 43 -20.055 -0.078 -13.363 1.00 0.55 H new ATOM 0 HA GLU A 43 -17.560 -0.347 -11.847 1.00 5.54 H new ATOM 0 HB2 GLU A 43 -16.540 0.398 -13.878 1.00 22.35 H new ATOM 0 HB3 GLU A 43 -17.723 -0.816 -14.323 1.00 22.35 H new ATOM 0 HG2 GLU A 43 -19.328 1.227 -14.754 1.00 43.01 H new ATOM 0 HG3 GLU A 43 -17.861 2.185 -14.750 1.00 43.01 H new ATOM 684 N GLN A 44 -17.115 2.120 -11.373 1.00 41.11 N ATOM 685 CA GLN A 44 -16.960 3.438 -10.771 1.00 41.03 C ATOM 686 C GLN A 44 -15.469 3.613 -10.495 1.00 43.21 C ATOM 687 O GLN A 44 -14.818 2.611 -10.195 1.00 72.15 O ATOM 688 CB GLN A 44 -17.758 3.426 -9.455 1.00 14.02 C ATOM 689 CG GLN A 44 -18.123 4.796 -8.883 1.00 73.22 C ATOM 690 CD GLN A 44 -16.995 5.541 -8.190 1.00 60.22 C ATOM 691 OE1 GLN A 44 -16.848 6.746 -8.356 1.00 71.43 O ATOM 692 NE2 GLN A 44 -16.218 4.864 -7.357 1.00 54.13 N ATOM 0 H GLN A 44 -16.276 1.547 -11.282 1.00 41.11 H new ATOM 0 HA GLN A 44 -17.318 4.249 -11.405 1.00 41.03 H new ATOM 0 HB2 GLN A 44 -18.678 2.864 -9.616 1.00 14.02 H new ATOM 0 HB3 GLN A 44 -17.180 2.884 -8.707 1.00 14.02 H new ATOM 0 HG2 GLN A 44 -18.501 5.419 -9.694 1.00 73.22 H new ATOM 0 HG3 GLN A 44 -18.939 4.667 -8.172 1.00 73.22 H new ATOM 0 HE21 GLN A 44 -16.356 3.861 -7.232 1.00 54.13 H new ATOM 0 HE22 GLN A 44 -15.482 5.346 -6.841 1.00 54.13 H new ATOM 701 N THR A 45 -14.926 4.834 -10.517 1.00 2.21 N ATOM 702 CA THR A 45 -13.542 5.068 -10.109 1.00 31.32 C ATOM 703 C THR A 45 -13.424 6.321 -9.241 1.00 34.25 C ATOM 704 O THR A 45 -14.158 7.295 -9.422 1.00 71.54 O ATOM 705 CB THR A 45 -12.609 5.130 -11.332 1.00 62.25 C ATOM 706 OG1 THR A 45 -13.099 6.031 -12.306 1.00 23.23 O ATOM 707 CG2 THR A 45 -12.405 3.752 -11.969 1.00 1.43 C ATOM 0 H THR A 45 -15.425 5.673 -10.813 1.00 2.21 H new ATOM 0 HA THR A 45 -13.224 4.223 -9.498 1.00 31.32 H new ATOM 0 HB THR A 45 -11.646 5.486 -10.967 1.00 62.25 H new ATOM 0 HG1 THR A 45 -12.486 6.052 -13.070 1.00 23.23 H new ATOM 0 HG21 THR A 45 -11.740 3.843 -12.828 1.00 1.43 H new ATOM 0 HG22 THR A 45 -11.963 3.075 -11.238 1.00 1.43 H new ATOM 0 HG23 THR A 45 -13.367 3.356 -12.295 1.00 1.43 H new ATOM 715 N PHE A 46 -12.497 6.308 -8.281 1.00 20.31 N ATOM 716 CA PHE A 46 -12.262 7.373 -7.312 1.00 40.34 C ATOM 717 C PHE A 46 -10.837 7.905 -7.458 1.00 72.33 C ATOM 718 O PHE A 46 -9.930 7.134 -7.786 1.00 25.41 O ATOM 719 CB PHE A 46 -12.504 6.854 -5.880 1.00 72.51 C ATOM 720 CG PHE A 46 -13.730 7.422 -5.194 1.00 40.44 C ATOM 721 CD1 PHE A 46 -14.943 7.503 -5.898 1.00 0.40 C ATOM 722 CD2 PHE A 46 -13.672 7.862 -3.858 1.00 1.24 C ATOM 723 CE1 PHE A 46 -16.105 7.978 -5.271 1.00 52.41 C ATOM 724 CE2 PHE A 46 -14.828 8.375 -3.242 1.00 2.10 C ATOM 725 CZ PHE A 46 -16.049 8.407 -3.937 1.00 5.43 C ATOM 0 H PHE A 46 -11.863 5.519 -8.155 1.00 20.31 H new ATOM 0 HA PHE A 46 -12.960 8.188 -7.504 1.00 40.34 H new ATOM 0 HB2 PHE A 46 -12.594 5.768 -5.913 1.00 72.51 H new ATOM 0 HB3 PHE A 46 -11.628 7.082 -5.273 1.00 72.51 H new ATOM 0 HD1 PHE A 46 -14.982 7.196 -6.933 1.00 0.40 H new ATOM 0 HD2 PHE A 46 -12.744 7.806 -3.308 1.00 1.24 H new ATOM 0 HE1 PHE A 46 -17.038 8.013 -5.813 1.00 52.41 H new ATOM 0 HE2 PHE A 46 -14.777 8.746 -2.229 1.00 2.10 H new ATOM 0 HZ PHE A 46 -16.943 8.761 -3.445 1.00 5.43 H new ATOM 735 N PRO A 47 -10.612 9.201 -7.188 1.00 33.45 N ATOM 736 CA PRO A 47 -9.286 9.783 -7.218 1.00 62.34 C ATOM 737 C PRO A 47 -8.494 9.313 -5.999 1.00 23.30 C ATOM 738 O PRO A 47 -8.874 9.616 -4.864 1.00 64.22 O ATOM 739 CB PRO A 47 -9.511 11.296 -7.242 1.00 25.10 C ATOM 740 CG PRO A 47 -10.838 11.481 -6.507 1.00 4.34 C ATOM 741 CD PRO A 47 -11.613 10.214 -6.867 1.00 2.54 C ATOM 0 HA PRO A 47 -8.698 9.481 -8.085 1.00 62.34 H new ATOM 0 HB2 PRO A 47 -8.701 11.829 -6.744 1.00 25.10 H new ATOM 0 HB3 PRO A 47 -9.563 11.676 -8.262 1.00 25.10 H new ATOM 0 HG2 PRO A 47 -10.693 11.573 -5.431 1.00 4.34 H new ATOM 0 HG3 PRO A 47 -11.359 12.380 -6.836 1.00 4.34 H new ATOM 0 HD2 PRO A 47 -12.240 9.892 -6.036 1.00 2.54 H new ATOM 0 HD3 PRO A 47 -12.274 10.390 -7.715 1.00 2.54 H new ATOM 749 N PHE A 48 -7.411 8.556 -6.208 1.00 54.33 N ATOM 750 CA PHE A 48 -6.517 8.162 -5.129 1.00 12.41 C ATOM 751 C PHE A 48 -5.584 9.352 -4.867 1.00 52.31 C ATOM 752 O PHE A 48 -4.873 9.781 -5.780 1.00 41.11 O ATOM 753 CB PHE A 48 -5.737 6.885 -5.488 1.00 55.21 C ATOM 754 CG PHE A 48 -5.425 5.988 -4.297 1.00 45.13 C ATOM 755 CD1 PHE A 48 -4.974 6.519 -3.068 1.00 74.42 C ATOM 756 CD2 PHE A 48 -5.633 4.598 -4.404 1.00 45.51 C ATOM 757 CE1 PHE A 48 -4.791 5.678 -1.958 1.00 42.14 C ATOM 758 CE2 PHE A 48 -5.445 3.758 -3.298 1.00 23.21 C ATOM 759 CZ PHE A 48 -5.042 4.302 -2.071 1.00 42.33 C ATOM 0 H PHE A 48 -7.136 8.205 -7.125 1.00 54.33 H new ATOM 0 HA PHE A 48 -7.079 7.919 -4.227 1.00 12.41 H new ATOM 0 HB2 PHE A 48 -6.312 6.315 -6.217 1.00 55.21 H new ATOM 0 HB3 PHE A 48 -4.801 7.168 -5.970 1.00 55.21 H new ATOM 0 HD1 PHE A 48 -4.769 7.576 -2.982 1.00 74.42 H new ATOM 0 HD2 PHE A 48 -5.941 4.175 -5.349 1.00 45.51 H new ATOM 0 HE1 PHE A 48 -4.457 6.090 -1.017 1.00 42.14 H new ATOM 0 HE2 PHE A 48 -5.610 2.695 -3.391 1.00 23.21 H new ATOM 0 HZ PHE A 48 -4.924 3.661 -1.210 1.00 42.33 H new ATOM 769 N THR A 49 -5.603 9.915 -3.659 1.00 33.50 N ATOM 770 CA THR A 49 -4.809 11.067 -3.239 1.00 55.22 C ATOM 771 C THR A 49 -4.298 10.815 -1.808 1.00 11.21 C ATOM 772 O THR A 49 -4.571 9.761 -1.230 1.00 33.43 O ATOM 773 CB THR A 49 -5.658 12.350 -3.369 1.00 4.15 C ATOM 774 OG1 THR A 49 -6.819 12.275 -2.558 1.00 5.11 O ATOM 775 CG2 THR A 49 -6.083 12.633 -4.817 1.00 72.23 C ATOM 0 H THR A 49 -6.201 9.563 -2.912 1.00 33.50 H new ATOM 0 HA THR A 49 -3.937 11.206 -3.877 1.00 55.22 H new ATOM 0 HB THR A 49 -5.020 13.168 -3.033 1.00 4.15 H new ATOM 0 HG1 THR A 49 -7.340 13.099 -2.655 1.00 5.11 H new ATOM 0 HG21 THR A 49 -6.677 13.546 -4.850 1.00 72.23 H new ATOM 0 HG22 THR A 49 -5.196 12.754 -5.439 1.00 72.23 H new ATOM 0 HG23 THR A 49 -6.677 11.800 -5.191 1.00 72.23 H new ATOM 783 N ARG A 50 -3.543 11.745 -1.210 1.00 43.22 N ATOM 784 CA ARG A 50 -2.929 11.531 0.108 1.00 52.04 C ATOM 785 C ARG A 50 -3.969 11.338 1.222 1.00 5.23 C ATOM 786 O ARG A 50 -3.739 10.573 2.153 1.00 32.21 O ATOM 787 CB ARG A 50 -1.967 12.697 0.412 1.00 63.33 C ATOM 788 CG ARG A 50 -0.904 12.305 1.448 1.00 35.34 C ATOM 789 CD ARG A 50 0.208 13.357 1.581 1.00 23.10 C ATOM 790 NE ARG A 50 -0.254 14.573 2.267 1.00 60.23 N ATOM 791 CZ ARG A 50 0.319 15.783 2.244 1.00 63.24 C ATOM 792 NH1 ARG A 50 1.401 16.017 1.507 1.00 25.22 N ATOM 793 NH2 ARG A 50 -0.218 16.760 2.963 1.00 71.11 N ATOM 0 H ARG A 50 -3.342 12.657 -1.620 1.00 43.22 H new ATOM 0 HA ARG A 50 -2.364 10.599 0.077 1.00 52.04 H new ATOM 0 HB2 ARG A 50 -1.477 13.014 -0.509 1.00 63.33 H new ATOM 0 HB3 ARG A 50 -2.536 13.551 0.780 1.00 63.33 H new ATOM 0 HG2 ARG A 50 -1.382 12.162 2.417 1.00 35.34 H new ATOM 0 HG3 ARG A 50 -0.463 11.349 1.166 1.00 35.34 H new ATOM 0 HD2 ARG A 50 1.046 12.929 2.130 1.00 23.10 H new ATOM 0 HD3 ARG A 50 0.577 13.620 0.590 1.00 23.10 H new ATOM 0 HE ARG A 50 -1.105 14.485 2.822 1.00 60.23 H new ATOM 0 HH11 ARG A 50 1.808 15.268 0.947 1.00 25.22 H new ATOM 0 HH12 ARG A 50 1.824 16.945 1.502 1.00 25.22 H new ATOM 0 HH21 ARG A 50 -1.053 16.583 3.521 1.00 71.11 H new ATOM 0 HH22 ARG A 50 0.205 17.688 2.958 1.00 71.11 H new ATOM 807 N GLU A 51 -5.134 11.973 1.091 1.00 12.02 N ATOM 808 CA GLU A 51 -6.197 12.093 2.098 1.00 0.40 C ATOM 809 C GLU A 51 -6.946 10.787 2.404 1.00 54.05 C ATOM 810 O GLU A 51 -7.916 10.777 3.152 1.00 53.53 O ATOM 811 CB GLU A 51 -7.153 13.190 1.598 1.00 34.21 C ATOM 812 CG GLU A 51 -7.999 13.859 2.699 1.00 31.33 C ATOM 813 CD GLU A 51 -8.142 15.363 2.435 1.00 53.44 C ATOM 814 OE1 GLU A 51 -8.758 15.735 1.409 1.00 42.13 O ATOM 815 OE2 GLU A 51 -7.507 16.175 3.158 1.00 32.12 O ATOM 0 H GLU A 51 -5.379 12.449 0.223 1.00 12.02 H new ATOM 0 HA GLU A 51 -5.743 12.351 3.055 1.00 0.40 H new ATOM 0 HB2 GLU A 51 -6.569 13.958 1.091 1.00 34.21 H new ATOM 0 HB3 GLU A 51 -7.824 12.757 0.856 1.00 34.21 H new ATOM 0 HG2 GLU A 51 -8.985 13.396 2.738 1.00 31.33 H new ATOM 0 HG3 GLU A 51 -7.533 13.698 3.671 1.00 31.33 H new ATOM 822 N LYS A 52 -6.527 9.683 1.796 1.00 33.45 N ATOM 823 CA LYS A 52 -7.175 8.374 1.788 1.00 1.20 C ATOM 824 C LYS A 52 -6.063 7.327 1.673 1.00 43.22 C ATOM 825 O LYS A 52 -6.175 6.357 0.933 1.00 25.14 O ATOM 826 CB LYS A 52 -8.202 8.323 0.641 1.00 12.35 C ATOM 827 CG LYS A 52 -7.619 8.875 -0.662 1.00 14.44 C ATOM 828 CD LYS A 52 -8.415 8.499 -1.898 1.00 25.24 C ATOM 829 CE LYS A 52 -9.883 8.906 -1.945 1.00 33.12 C ATOM 830 NZ LYS A 52 -10.070 10.376 -1.884 1.00 2.42 N ATOM 0 H LYS A 52 -5.662 9.678 1.256 1.00 33.45 H new ATOM 0 HA LYS A 52 -7.738 8.173 2.699 1.00 1.20 H new ATOM 0 HB2 LYS A 52 -8.526 7.294 0.488 1.00 12.35 H new ATOM 0 HB3 LYS A 52 -9.086 8.898 0.917 1.00 12.35 H new ATOM 0 HG2 LYS A 52 -7.565 9.961 -0.593 1.00 14.44 H new ATOM 0 HG3 LYS A 52 -6.598 8.511 -0.775 1.00 14.44 H new ATOM 0 HD2 LYS A 52 -7.918 8.937 -2.763 1.00 25.24 H new ATOM 0 HD3 LYS A 52 -8.363 7.416 -2.014 1.00 25.24 H new ATOM 0 HE2 LYS A 52 -10.333 8.524 -2.861 1.00 33.12 H new ATOM 0 HE3 LYS A 52 -10.412 8.441 -1.113 1.00 33.12 H new ATOM 0 HZ1 LYS A 52 -11.085 10.599 -1.919 1.00 2.42 H new ATOM 0 HZ2 LYS A 52 -9.666 10.741 -0.998 1.00 2.42 H new ATOM 0 HZ3 LYS A 52 -9.590 10.821 -2.692 1.00 2.42 H new ATOM 844 N TRP A 53 -4.906 7.593 2.281 1.00 54.21 N ATOM 845 CA TRP A 53 -3.853 6.603 2.437 1.00 72.21 C ATOM 846 C TRP A 53 -4.106 5.819 3.727 1.00 44.14 C ATOM 847 O TRP A 53 -4.730 6.353 4.649 1.00 64.34 O ATOM 848 CB TRP A 53 -2.511 7.333 2.504 1.00 44.12 C ATOM 849 CG TRP A 53 -1.287 6.473 2.624 1.00 71.43 C ATOM 850 CD1 TRP A 53 -0.555 6.297 3.749 1.00 55.31 C ATOM 851 CD2 TRP A 53 -0.674 5.610 1.620 1.00 72.12 C ATOM 852 NE1 TRP A 53 0.470 5.407 3.503 1.00 21.22 N ATOM 853 CE2 TRP A 53 0.419 4.922 2.222 1.00 22.22 C ATOM 854 CE3 TRP A 53 -0.948 5.318 0.267 1.00 22.32 C ATOM 855 CZ2 TRP A 53 1.185 3.970 1.539 1.00 15.21 C ATOM 856 CZ3 TRP A 53 -0.171 4.382 -0.441 1.00 3.14 C ATOM 857 CH2 TRP A 53 0.891 3.709 0.194 1.00 32.30 C ATOM 0 H TRP A 53 -4.678 8.504 2.678 1.00 54.21 H new ATOM 0 HA TRP A 53 -3.840 5.907 1.598 1.00 72.21 H new ATOM 0 HB2 TRP A 53 -2.411 7.946 1.608 1.00 44.12 H new ATOM 0 HB3 TRP A 53 -2.535 8.014 3.355 1.00 44.12 H new ATOM 0 HD1 TRP A 53 -0.745 6.780 4.696 1.00 55.31 H new ATOM 0 HE1 TRP A 53 1.177 5.143 4.189 1.00 21.22 H new ATOM 0 HE3 TRP A 53 -1.764 5.819 -0.232 1.00 22.32 H new ATOM 0 HZ2 TRP A 53 1.987 3.447 2.039 1.00 15.21 H new ATOM 0 HZ3 TRP A 53 -0.391 4.178 -1.479 1.00 3.14 H new ATOM 0 HH2 TRP A 53 1.480 2.990 -0.357 1.00 32.30 H new ATOM 868 N ALA A 54 -3.543 4.613 3.811 1.00 12.40 N ATOM 869 CA ALA A 54 -3.407 3.817 5.022 1.00 34.53 C ATOM 870 C ALA A 54 -1.915 3.580 5.233 1.00 4.40 C ATOM 871 O ALA A 54 -1.254 3.075 4.318 1.00 44.12 O ATOM 872 CB ALA A 54 -4.151 2.485 4.864 1.00 22.54 C ATOM 0 H ALA A 54 -3.151 4.146 2.993 1.00 12.40 H new ATOM 0 HA ALA A 54 -3.838 4.331 5.881 1.00 34.53 H new ATOM 0 HB1 ALA A 54 -4.043 1.897 5.776 1.00 22.54 H new ATOM 0 HB2 ALA A 54 -5.208 2.678 4.680 1.00 22.54 H new ATOM 0 HB3 ALA A 54 -3.732 1.932 4.024 1.00 22.54 H new ATOM 878 N LEU A 55 -1.373 4.008 6.374 1.00 42.53 N ATOM 879 CA LEU A 55 0.023 3.779 6.739 1.00 21.22 C ATOM 880 C LEU A 55 0.269 2.272 6.892 1.00 14.54 C ATOM 881 O LEU A 55 -0.669 1.485 7.043 1.00 73.35 O ATOM 882 CB LEU A 55 0.400 4.594 7.999 1.00 53.01 C ATOM 883 CG LEU A 55 0.515 6.108 7.704 1.00 54.34 C ATOM 884 CD1 LEU A 55 0.523 7.001 8.945 1.00 60.31 C ATOM 885 CD2 LEU A 55 1.773 6.442 6.886 1.00 40.51 C ATOM 0 H LEU A 55 -1.897 4.529 7.077 1.00 42.53 H new ATOM 0 HA LEU A 55 0.681 4.135 5.946 1.00 21.22 H new ATOM 0 HB2 LEU A 55 -0.351 4.432 8.772 1.00 53.01 H new ATOM 0 HB3 LEU A 55 1.348 4.230 8.395 1.00 53.01 H new ATOM 0 HG LEU A 55 -0.390 6.322 7.136 1.00 54.34 H new ATOM 0 HD11 LEU A 55 0.607 8.045 8.642 1.00 60.31 H new ATOM 0 HD12 LEU A 55 -0.403 6.858 9.502 1.00 60.31 H new ATOM 0 HD13 LEU A 55 1.371 6.738 9.577 1.00 60.31 H new ATOM 0 HD21 LEU A 55 1.813 7.516 6.702 1.00 40.51 H new ATOM 0 HD22 LEU A 55 2.660 6.136 7.441 1.00 40.51 H new ATOM 0 HD23 LEU A 55 1.739 5.912 5.934 1.00 40.51 H new ATOM 897 N LEU A 56 1.536 1.869 6.763 1.00 15.24 N ATOM 898 CA LEU A 56 1.929 0.469 6.612 1.00 32.50 C ATOM 899 C LEU A 56 3.136 0.188 7.506 1.00 65.24 C ATOM 900 O LEU A 56 3.998 1.057 7.674 1.00 43.43 O ATOM 901 CB LEU A 56 2.292 0.177 5.139 1.00 73.12 C ATOM 902 CG LEU A 56 1.237 0.527 4.068 1.00 41.54 C ATOM 903 CD1 LEU A 56 1.850 0.417 2.663 1.00 12.04 C ATOM 904 CD2 LEU A 56 0.011 -0.385 4.128 1.00 44.42 C ATOM 0 H LEU A 56 2.326 2.515 6.761 1.00 15.24 H new ATOM 0 HA LEU A 56 1.098 -0.174 6.903 1.00 32.50 H new ATOM 0 HB2 LEU A 56 3.206 0.721 4.903 1.00 73.12 H new ATOM 0 HB3 LEU A 56 2.522 -0.885 5.052 1.00 73.12 H new ATOM 0 HG LEU A 56 0.917 1.548 4.275 1.00 41.54 H new ATOM 0 HD11 LEU A 56 1.096 0.666 1.916 1.00 12.04 H new ATOM 0 HD12 LEU A 56 2.688 1.108 2.577 1.00 12.04 H new ATOM 0 HD13 LEU A 56 2.201 -0.602 2.498 1.00 12.04 H new ATOM 0 HD21 LEU A 56 -0.698 -0.093 3.353 1.00 44.42 H new ATOM 0 HD22 LEU A 56 0.318 -1.419 3.969 1.00 44.42 H new ATOM 0 HD23 LEU A 56 -0.463 -0.294 5.105 1.00 44.42 H new ATOM 916 N ASP A 57 3.269 -1.043 7.992 1.00 41.03 N ATOM 917 CA ASP A 57 4.198 -1.429 9.054 1.00 32.30 C ATOM 918 C ASP A 57 5.309 -2.316 8.497 1.00 74.42 C ATOM 919 O ASP A 57 5.303 -2.683 7.319 1.00 31.50 O ATOM 920 CB ASP A 57 3.436 -2.191 10.150 1.00 12.23 C ATOM 921 CG ASP A 57 2.252 -1.420 10.725 1.00 11.21 C ATOM 922 OD1 ASP A 57 1.188 -1.361 10.073 1.00 11.44 O ATOM 923 OD2 ASP A 57 2.345 -0.964 11.885 1.00 45.34 O ATOM 0 H ASP A 57 2.715 -1.827 7.647 1.00 41.03 H new ATOM 0 HA ASP A 57 4.645 -0.528 9.473 1.00 32.30 H new ATOM 0 HB2 ASP A 57 3.078 -3.136 9.741 1.00 12.23 H new ATOM 0 HB3 ASP A 57 4.126 -2.434 10.958 1.00 12.23 H new ATOM 928 N GLU A 58 6.270 -2.706 9.338 1.00 14.23 N ATOM 929 CA GLU A 58 7.290 -3.670 8.932 1.00 51.12 C ATOM 930 C GLU A 58 6.713 -5.072 8.777 1.00 41.14 C ATOM 931 O GLU A 58 7.070 -5.781 7.844 1.00 12.34 O ATOM 932 CB GLU A 58 8.515 -3.660 9.834 1.00 4.14 C ATOM 933 CG GLU A 58 8.211 -3.857 11.314 1.00 45.04 C ATOM 934 CD GLU A 58 9.511 -3.870 12.124 1.00 33.31 C ATOM 935 OE1 GLU A 58 10.332 -4.796 11.916 1.00 11.20 O ATOM 936 OE2 GLU A 58 9.764 -2.919 12.900 1.00 41.24 O ATOM 0 H GLU A 58 6.361 -2.371 10.297 1.00 14.23 H new ATOM 0 HA GLU A 58 7.637 -3.346 7.951 1.00 51.12 H new ATOM 0 HB2 GLU A 58 9.197 -4.446 9.508 1.00 4.14 H new ATOM 0 HB3 GLU A 58 9.037 -2.712 9.706 1.00 4.14 H new ATOM 0 HG2 GLU A 58 7.561 -3.057 11.669 1.00 45.04 H new ATOM 0 HG3 GLU A 58 7.673 -4.794 11.461 1.00 45.04 H new ATOM 943 N GLU A 59 5.782 -5.459 9.646 1.00 51.11 N ATOM 944 CA GLU A 59 5.021 -6.695 9.476 1.00 24.32 C ATOM 945 C GLU A 59 3.972 -6.586 8.354 1.00 40.25 C ATOM 946 O GLU A 59 3.268 -7.563 8.078 1.00 75.43 O ATOM 947 CB GLU A 59 4.389 -7.141 10.807 1.00 2.13 C ATOM 948 CG GLU A 59 5.432 -7.429 11.906 1.00 61.44 C ATOM 949 CD GLU A 59 5.043 -8.542 12.899 1.00 22.44 C ATOM 950 OE1 GLU A 59 3.893 -9.048 12.885 1.00 0.02 O ATOM 951 OE2 GLU A 59 5.958 -8.998 13.629 1.00 12.40 O ATOM 0 H GLU A 59 5.535 -4.929 10.482 1.00 51.11 H new ATOM 0 HA GLU A 59 5.725 -7.467 9.165 1.00 24.32 H new ATOM 0 HB2 GLU A 59 3.707 -6.366 11.156 1.00 2.13 H new ATOM 0 HB3 GLU A 59 3.793 -8.037 10.637 1.00 2.13 H new ATOM 0 HG2 GLU A 59 6.374 -7.701 11.429 1.00 61.44 H new ATOM 0 HG3 GLU A 59 5.611 -6.511 12.465 1.00 61.44 H new ATOM 958 N THR A 60 3.869 -5.435 7.683 1.00 20.24 N ATOM 959 CA THR A 60 3.186 -5.321 6.406 1.00 62.43 C ATOM 960 C THR A 60 4.203 -5.526 5.272 1.00 44.31 C ATOM 961 O THR A 60 3.959 -6.337 4.379 1.00 4.20 O ATOM 962 CB THR A 60 2.458 -3.971 6.295 1.00 13.45 C ATOM 963 OG1 THR A 60 1.715 -3.669 7.461 1.00 40.33 O ATOM 964 CG2 THR A 60 1.530 -3.957 5.086 1.00 74.33 C ATOM 0 H THR A 60 4.262 -4.555 8.019 1.00 20.24 H new ATOM 0 HA THR A 60 2.422 -6.094 6.326 1.00 62.43 H new ATOM 0 HB THR A 60 3.227 -3.208 6.175 1.00 13.45 H new ATOM 0 HG1 THR A 60 1.034 -2.997 7.250 1.00 40.33 H new ATOM 0 HG21 THR A 60 1.025 -2.993 5.026 1.00 74.33 H new ATOM 0 HG22 THR A 60 2.112 -4.119 4.179 1.00 74.33 H new ATOM 0 HG23 THR A 60 0.788 -4.749 5.187 1.00 74.33 H new ATOM 972 N LEU A 61 5.340 -4.815 5.274 1.00 20.22 N ATOM 973 CA LEU A 61 6.324 -4.876 4.203 1.00 62.42 C ATOM 974 C LEU A 61 7.490 -5.738 4.671 1.00 60.12 C ATOM 975 O LEU A 61 8.606 -5.245 4.886 1.00 52.45 O ATOM 976 CB LEU A 61 6.803 -3.488 3.743 1.00 5.11 C ATOM 977 CG LEU A 61 5.832 -2.587 2.959 1.00 15.04 C ATOM 978 CD1 LEU A 61 5.231 -3.261 1.722 1.00 72.24 C ATOM 979 CD2 LEU A 61 4.715 -2.023 3.833 1.00 5.01 C ATOM 0 H LEU A 61 5.597 -4.179 6.029 1.00 20.22 H new ATOM 0 HA LEU A 61 5.852 -5.321 3.327 1.00 62.42 H new ATOM 0 HB2 LEU A 61 7.119 -2.938 4.629 1.00 5.11 H new ATOM 0 HB3 LEU A 61 7.689 -3.633 3.125 1.00 5.11 H new ATOM 0 HG LEU A 61 6.453 -1.761 2.614 1.00 15.04 H new ATOM 0 HD11 LEU A 61 4.557 -2.566 1.220 1.00 72.24 H new ATOM 0 HD12 LEU A 61 6.031 -3.548 1.039 1.00 72.24 H new ATOM 0 HD13 LEU A 61 4.677 -4.149 2.025 1.00 72.24 H new ATOM 0 HD21 LEU A 61 4.061 -1.395 3.228 1.00 5.01 H new ATOM 0 HD22 LEU A 61 4.138 -2.843 4.260 1.00 5.01 H new ATOM 0 HD23 LEU A 61 5.148 -1.427 4.637 1.00 5.01 H new ATOM 991 N LYS A 62 7.239 -7.042 4.792 1.00 55.44 N ATOM 992 CA LYS A 62 8.276 -8.027 5.008 1.00 53.25 C ATOM 993 C LYS A 62 8.300 -9.016 3.856 1.00 15.30 C ATOM 994 O LYS A 62 7.351 -9.089 3.080 1.00 44.23 O ATOM 995 CB LYS A 62 8.043 -8.732 6.346 1.00 14.00 C ATOM 996 CG LYS A 62 9.165 -8.373 7.318 1.00 53.33 C ATOM 997 CD LYS A 62 8.896 -8.930 8.721 1.00 22.33 C ATOM 998 CE LYS A 62 9.718 -8.158 9.760 1.00 21.14 C ATOM 999 NZ LYS A 62 9.345 -8.528 11.142 1.00 43.04 N ATOM 0 H LYS A 62 6.300 -7.438 4.741 1.00 55.44 H new ATOM 0 HA LYS A 62 9.248 -7.536 5.046 1.00 53.25 H new ATOM 0 HB2 LYS A 62 7.080 -8.436 6.762 1.00 14.00 H new ATOM 0 HB3 LYS A 62 8.008 -9.811 6.198 1.00 14.00 H new ATOM 0 HG2 LYS A 62 10.110 -8.767 6.945 1.00 53.33 H new ATOM 0 HG3 LYS A 62 9.269 -7.289 7.370 1.00 53.33 H new ATOM 0 HD2 LYS A 62 7.834 -8.852 8.955 1.00 22.33 H new ATOM 0 HD3 LYS A 62 9.153 -9.989 8.756 1.00 22.33 H new ATOM 0 HE2 LYS A 62 10.778 -8.356 9.604 1.00 21.14 H new ATOM 0 HE3 LYS A 62 9.570 -7.088 9.618 1.00 21.14 H new ATOM 0 HZ1 LYS A 62 9.666 -7.788 11.798 1.00 43.04 H new ATOM 0 HZ2 LYS A 62 8.312 -8.625 11.209 1.00 43.04 H new ATOM 0 HZ3 LYS A 62 9.794 -9.432 11.393 1.00 43.04 H new ATOM 1013 N GLU A 63 9.377 -9.790 3.762 1.00 63.11 N ATOM 1014 CA GLU A 63 9.529 -10.825 2.756 1.00 11.42 C ATOM 1015 C GLU A 63 9.516 -12.189 3.447 1.00 72.34 C ATOM 1016 O GLU A 63 10.540 -12.639 3.981 1.00 64.51 O ATOM 1017 CB GLU A 63 10.792 -10.619 1.914 1.00 32.32 C ATOM 1018 CG GLU A 63 11.197 -9.163 1.620 1.00 42.43 C ATOM 1019 CD GLU A 63 12.496 -8.743 2.333 1.00 22.32 C ATOM 1020 OE1 GLU A 63 12.746 -9.214 3.464 1.00 20.23 O ATOM 1021 OE2 GLU A 63 13.281 -7.957 1.748 1.00 31.21 O ATOM 0 H GLU A 63 10.176 -9.712 4.392 1.00 63.11 H new ATOM 0 HA GLU A 63 8.694 -10.773 2.057 1.00 11.42 H new ATOM 0 HB2 GLU A 63 11.623 -11.107 2.422 1.00 32.32 H new ATOM 0 HB3 GLU A 63 10.654 -11.133 0.963 1.00 32.32 H new ATOM 0 HG2 GLU A 63 11.322 -9.037 0.545 1.00 42.43 H new ATOM 0 HG3 GLU A 63 10.390 -8.498 1.927 1.00 42.43 H new ATOM 1028 N GLY A 64 8.371 -12.861 3.445 1.00 11.04 N ATOM 1029 CA GLY A 64 8.145 -14.075 4.209 1.00 33.12 C ATOM 1030 C GLY A 64 6.716 -14.588 4.055 1.00 33.44 C ATOM 1031 O GLY A 64 6.001 -14.255 3.106 1.00 14.40 O ATOM 0 H GLY A 64 7.560 -12.569 2.900 1.00 11.04 H new ATOM 0 HA2 GLY A 64 8.844 -14.845 3.882 1.00 33.12 H new ATOM 0 HA3 GLY A 64 8.351 -13.884 5.262 1.00 33.12 H new ATOM 1035 N ARG A 65 6.331 -15.505 4.945 1.00 22.40 N ATOM 1036 CA ARG A 65 5.021 -16.118 5.020 1.00 75.41 C ATOM 1037 C ARG A 65 4.628 -16.207 6.496 1.00 51.43 C ATOM 1038 O ARG A 65 5.466 -16.530 7.340 1.00 71.11 O ATOM 1039 CB ARG A 65 5.074 -17.513 4.395 1.00 71.41 C ATOM 1040 CG ARG A 65 5.523 -17.503 2.927 1.00 13.23 C ATOM 1041 CD ARG A 65 5.282 -18.884 2.318 1.00 12.12 C ATOM 1042 NE ARG A 65 5.478 -18.892 0.855 1.00 43.03 N ATOM 1043 CZ ARG A 65 6.604 -19.198 0.200 1.00 71.41 C ATOM 1044 NH1 ARG A 65 7.682 -19.605 0.868 1.00 1.52 N ATOM 1045 NH2 ARG A 65 6.642 -19.086 -1.121 1.00 12.04 N ATOM 0 H ARG A 65 6.964 -15.852 5.666 1.00 22.40 H new ATOM 0 HA ARG A 65 4.284 -15.527 4.475 1.00 75.41 H new ATOM 0 HB2 ARG A 65 5.756 -18.137 4.972 1.00 71.41 H new ATOM 0 HB3 ARG A 65 4.088 -17.972 4.463 1.00 71.41 H new ATOM 0 HG2 ARG A 65 4.971 -16.746 2.371 1.00 13.23 H new ATOM 0 HG3 ARG A 65 6.579 -17.242 2.859 1.00 13.23 H new ATOM 0 HD2 ARG A 65 5.959 -19.604 2.777 1.00 12.12 H new ATOM 0 HD3 ARG A 65 4.267 -19.208 2.548 1.00 12.12 H new ATOM 0 HE ARG A 65 4.672 -18.638 0.284 1.00 43.03 H new ATOM 0 HH11 ARG A 65 7.652 -19.685 1.884 1.00 1.52 H new ATOM 0 HH12 ARG A 65 8.537 -19.837 0.363 1.00 1.52 H new ATOM 0 HH21 ARG A 65 5.817 -18.769 -1.630 1.00 12.04 H new ATOM 0 HH22 ARG A 65 7.496 -19.317 -1.628 1.00 12.04 H new ATOM 1059 N THR A 66 3.350 -16.026 6.796 1.00 21.20 N ATOM 1060 CA THR A 66 2.738 -16.033 8.122 1.00 52.04 C ATOM 1061 C THR A 66 1.684 -17.146 8.143 1.00 64.55 C ATOM 1062 O THR A 66 1.327 -17.689 7.085 1.00 4.33 O ATOM 1063 CB THR A 66 2.131 -14.639 8.396 1.00 63.45 C ATOM 1064 OG1 THR A 66 3.119 -13.651 8.166 1.00 31.34 O ATOM 1065 CG2 THR A 66 1.560 -14.467 9.806 1.00 54.04 C ATOM 0 H THR A 66 2.659 -15.857 6.065 1.00 21.20 H new ATOM 0 HA THR A 66 3.465 -16.232 8.910 1.00 52.04 H new ATOM 0 HB THR A 66 1.288 -14.531 7.713 1.00 63.45 H new ATOM 0 HG1 THR A 66 2.740 -12.763 8.336 1.00 31.34 H new ATOM 0 HG21 THR A 66 1.154 -13.461 9.914 1.00 54.04 H new ATOM 0 HG22 THR A 66 0.767 -15.197 9.969 1.00 54.04 H new ATOM 0 HG23 THR A 66 2.351 -14.620 10.540 1.00 54.04 H new ATOM 1146 N THR A 73 -1.683 -20.006 4.878 1.00 52.24 N ATOM 1147 CA THR A 73 -0.453 -19.318 4.511 1.00 73.21 C ATOM 1148 C THR A 73 -0.815 -17.919 4.003 1.00 21.13 C ATOM 1149 O THR A 73 -1.397 -17.817 2.925 1.00 74.23 O ATOM 1150 CB THR A 73 0.275 -20.077 3.385 1.00 51.14 C ATOM 1151 OG1 THR A 73 0.484 -21.451 3.656 1.00 45.52 O ATOM 1152 CG2 THR A 73 1.645 -19.452 3.105 1.00 11.22 C ATOM 0 HA THR A 73 0.201 -19.262 5.382 1.00 73.21 H new ATOM 0 HB THR A 73 -0.388 -19.996 2.524 1.00 51.14 H new ATOM 0 HG1 THR A 73 -0.188 -21.764 4.298 1.00 45.52 H new ATOM 0 HG21 THR A 73 2.141 -20.004 2.307 1.00 11.22 H new ATOM 0 HG22 THR A 73 1.516 -18.413 2.802 1.00 11.22 H new ATOM 0 HG23 THR A 73 2.255 -19.493 4.007 1.00 11.22 H new ATOM 1160 N TYR A 74 -0.445 -16.860 4.725 1.00 64.53 N ATOM 1161 CA TYR A 74 -0.388 -15.510 4.171 1.00 72.34 C ATOM 1162 C TYR A 74 1.044 -15.259 3.712 1.00 45.23 C ATOM 1163 O TYR A 74 1.966 -15.527 4.478 1.00 3.12 O ATOM 1164 CB TYR A 74 -0.768 -14.480 5.240 1.00 22.35 C ATOM 1165 CG TYR A 74 -0.852 -13.058 4.718 1.00 52.34 C ATOM 1166 CD1 TYR A 74 -1.632 -12.760 3.581 1.00 11.44 C ATOM 1167 CD2 TYR A 74 -0.160 -12.024 5.377 1.00 32.41 C ATOM 1168 CE1 TYR A 74 -1.760 -11.434 3.132 1.00 54.51 C ATOM 1169 CE2 TYR A 74 -0.293 -10.696 4.942 1.00 22.25 C ATOM 1170 CZ TYR A 74 -1.127 -10.391 3.845 1.00 22.22 C ATOM 1171 OH TYR A 74 -1.314 -9.093 3.485 1.00 64.23 O ATOM 0 H TYR A 74 -0.177 -16.916 5.708 1.00 64.53 H new ATOM 0 HA TYR A 74 -1.087 -15.416 3.340 1.00 72.34 H new ATOM 0 HB2 TYR A 74 -1.730 -14.756 5.671 1.00 22.35 H new ATOM 0 HB3 TYR A 74 -0.035 -14.519 6.045 1.00 22.35 H new ATOM 0 HD1 TYR A 74 -2.134 -13.556 3.052 1.00 11.44 H new ATOM 0 HD2 TYR A 74 0.475 -12.253 6.220 1.00 32.41 H new ATOM 0 HE1 TYR A 74 -2.339 -11.214 2.247 1.00 54.51 H new ATOM 0 HE2 TYR A 74 0.244 -9.907 5.447 1.00 22.25 H new ATOM 0 HH TYR A 74 -0.804 -8.510 4.085 1.00 64.23 H new ATOM 1181 N ILE A 75 1.282 -14.761 2.505 1.00 40.54 N ATOM 1182 CA ILE A 75 2.595 -14.416 1.976 1.00 31.20 C ATOM 1183 C ILE A 75 2.694 -12.890 1.954 1.00 51.43 C ATOM 1184 O ILE A 75 1.689 -12.183 1.846 1.00 0.31 O ATOM 1185 CB ILE A 75 2.775 -15.037 0.567 1.00 11.43 C ATOM 1186 CG1 ILE A 75 2.565 -16.570 0.552 1.00 63.31 C ATOM 1187 CG2 ILE A 75 4.178 -14.750 -0.005 1.00 73.42 C ATOM 1188 CD1 ILE A 75 1.119 -17.022 0.355 1.00 11.25 C ATOM 0 H ILE A 75 0.531 -14.579 1.839 1.00 40.54 H new ATOM 0 HA ILE A 75 3.395 -14.816 2.598 1.00 31.20 H new ATOM 0 HB ILE A 75 2.008 -14.566 -0.048 1.00 11.43 H new ATOM 0 HG12 ILE A 75 3.175 -16.997 -0.244 1.00 63.31 H new ATOM 0 HG13 ILE A 75 2.934 -16.981 1.492 1.00 63.31 H new ATOM 0 HG21 ILE A 75 4.267 -15.201 -0.993 1.00 73.42 H new ATOM 0 HG22 ILE A 75 4.326 -13.673 -0.083 1.00 73.42 H new ATOM 0 HG23 ILE A 75 4.934 -15.173 0.656 1.00 73.42 H new ATOM 0 HD11 ILE A 75 1.074 -18.111 0.359 1.00 11.25 H new ATOM 0 HD12 ILE A 75 0.502 -16.631 1.164 1.00 11.25 H new ATOM 0 HD13 ILE A 75 0.747 -16.647 -0.599 1.00 11.25 H new ATOM 1200 N SER A 76 3.910 -12.360 2.027 1.00 13.14 N ATOM 1201 CA SER A 76 4.231 -10.987 1.678 1.00 25.30 C ATOM 1202 C SER A 76 5.646 -11.010 1.106 1.00 5.20 C ATOM 1203 O SER A 76 6.513 -11.652 1.698 1.00 51.04 O ATOM 1204 CB SER A 76 4.155 -10.112 2.930 1.00 74.23 C ATOM 1205 OG SER A 76 2.899 -10.230 3.583 1.00 1.33 O ATOM 0 H SER A 76 4.722 -12.893 2.340 1.00 13.14 H new ATOM 0 HA SER A 76 3.533 -10.574 0.950 1.00 25.30 H new ATOM 0 HB2 SER A 76 4.951 -10.395 3.619 1.00 74.23 H new ATOM 0 HB3 SER A 76 4.325 -9.071 2.656 1.00 74.23 H new ATOM 0 HG SER A 76 2.263 -10.682 2.990 1.00 1.33 H new ATOM 1211 N HIS A 77 5.900 -10.399 -0.053 1.00 13.32 N ATOM 1212 CA HIS A 77 7.238 -10.277 -0.635 1.00 71.23 C ATOM 1213 C HIS A 77 7.197 -9.359 -1.851 1.00 0.41 C ATOM 1214 O HIS A 77 6.130 -9.009 -2.351 1.00 20.11 O ATOM 1215 CB HIS A 77 7.825 -11.655 -1.024 1.00 61.11 C ATOM 1216 CG HIS A 77 6.983 -12.591 -1.871 1.00 12.05 C ATOM 1217 ND1 HIS A 77 7.317 -13.911 -2.092 1.00 54.23 N ATOM 1218 CD2 HIS A 77 5.815 -12.339 -2.558 1.00 41.05 C ATOM 1219 CE1 HIS A 77 6.390 -14.437 -2.902 1.00 24.44 C ATOM 1220 NE2 HIS A 77 5.463 -13.523 -3.221 1.00 54.45 N ATOM 0 H HIS A 77 5.171 -9.969 -0.622 1.00 13.32 H new ATOM 0 HA HIS A 77 7.891 -9.845 0.123 1.00 71.23 H new ATOM 0 HB2 HIS A 77 8.760 -11.478 -1.556 1.00 61.11 H new ATOM 0 HB3 HIS A 77 8.077 -12.179 -0.102 1.00 61.11 H new ATOM 0 HD2 HIS A 77 5.273 -11.405 -2.581 1.00 41.05 H new ATOM 0 HE1 HIS A 77 6.389 -15.459 -3.251 1.00 24.44 H new ATOM 0 HE2 HIS A 77 4.656 -13.662 -3.829 1.00 54.45 H new ATOM 1228 N PHE A 78 8.368 -9.008 -2.380 1.00 63.41 N ATOM 1229 CA PHE A 78 8.475 -8.559 -3.754 1.00 43.31 C ATOM 1230 C PHE A 78 8.495 -9.796 -4.648 1.00 25.10 C ATOM 1231 O PHE A 78 9.099 -10.810 -4.284 1.00 32.51 O ATOM 1232 CB PHE A 78 9.707 -7.661 -3.921 1.00 63.41 C ATOM 1233 CG PHE A 78 11.050 -8.339 -3.762 1.00 43.43 C ATOM 1234 CD1 PHE A 78 11.564 -8.618 -2.484 1.00 0.14 C ATOM 1235 CD2 PHE A 78 11.802 -8.653 -4.905 1.00 22.32 C ATOM 1236 CE1 PHE A 78 12.811 -9.250 -2.350 1.00 12.40 C ATOM 1237 CE2 PHE A 78 13.059 -9.267 -4.776 1.00 1.30 C ATOM 1238 CZ PHE A 78 13.551 -9.583 -3.497 1.00 2.12 C ATOM 0 H PHE A 78 9.252 -9.028 -1.872 1.00 63.41 H new ATOM 0 HA PHE A 78 7.622 -7.945 -4.045 1.00 43.31 H new ATOM 0 HB2 PHE A 78 9.668 -7.205 -4.910 1.00 63.41 H new ATOM 0 HB3 PHE A 78 9.643 -6.852 -3.194 1.00 63.41 H new ATOM 0 HD1 PHE A 78 11.000 -8.346 -1.604 1.00 0.14 H new ATOM 0 HD2 PHE A 78 11.413 -8.422 -5.886 1.00 22.32 H new ATOM 0 HE1 PHE A 78 13.200 -9.479 -1.369 1.00 12.40 H new ATOM 0 HE2 PHE A 78 13.644 -9.495 -5.654 1.00 1.30 H new ATOM 0 HZ PHE A 78 14.502 -10.084 -3.396 1.00 2.12 H new ATOM 1248 N THR A 79 7.827 -9.740 -5.794 1.00 31.43 N ATOM 1249 CA THR A 79 7.674 -10.863 -6.720 1.00 34.23 C ATOM 1250 C THR A 79 8.624 -10.750 -7.917 1.00 65.11 C ATOM 1251 O THR A 79 8.760 -11.692 -8.695 1.00 0.31 O ATOM 1252 CB THR A 79 6.188 -10.957 -7.131 1.00 41.33 C ATOM 1253 OG1 THR A 79 5.607 -9.665 -7.206 1.00 0.13 O ATOM 1254 CG2 THR A 79 5.431 -11.771 -6.077 1.00 74.14 C ATOM 0 H THR A 79 7.363 -8.891 -6.116 1.00 31.43 H new ATOM 0 HA THR A 79 7.957 -11.793 -6.226 1.00 34.23 H new ATOM 0 HB THR A 79 6.125 -11.435 -8.109 1.00 41.33 H new ATOM 0 HG1 THR A 79 4.693 -9.737 -7.551 1.00 0.13 H new ATOM 0 HG21 THR A 79 4.380 -11.843 -6.358 1.00 74.14 H new ATOM 0 HG22 THR A 79 5.859 -12.771 -6.013 1.00 74.14 H new ATOM 0 HG23 THR A 79 5.514 -11.279 -5.108 1.00 74.14 H new ATOM 1262 N VAL A 80 9.340 -9.632 -8.034 1.00 71.31 N ATOM 1263 CA VAL A 80 9.977 -9.169 -9.254 1.00 5.13 C ATOM 1264 C VAL A 80 11.403 -8.736 -8.920 1.00 34.30 C ATOM 1265 O VAL A 80 11.625 -7.775 -8.185 1.00 3.04 O ATOM 1266 CB VAL A 80 9.086 -8.066 -9.869 1.00 20.31 C ATOM 1267 CG1 VAL A 80 8.577 -7.053 -8.839 1.00 60.24 C ATOM 1268 CG2 VAL A 80 9.794 -7.327 -11.002 1.00 20.20 C ATOM 0 H VAL A 80 9.495 -9.003 -7.246 1.00 71.31 H new ATOM 0 HA VAL A 80 10.070 -9.947 -10.012 1.00 5.13 H new ATOM 0 HB VAL A 80 8.221 -8.594 -10.270 1.00 20.31 H new ATOM 0 HG11 VAL A 80 7.958 -6.307 -9.338 1.00 60.24 H new ATOM 0 HG12 VAL A 80 7.985 -7.569 -8.083 1.00 60.24 H new ATOM 0 HG13 VAL A 80 9.425 -6.561 -8.362 1.00 60.24 H new ATOM 0 HG21 VAL A 80 9.132 -6.561 -11.406 1.00 20.20 H new ATOM 0 HG22 VAL A 80 10.701 -6.859 -10.620 1.00 20.20 H new ATOM 0 HG23 VAL A 80 10.055 -8.033 -11.790 1.00 20.20 H new ATOM 1278 N ASN A 81 12.389 -9.486 -9.409 1.00 44.13 N ATOM 1279 CA ASN A 81 13.789 -9.161 -9.194 1.00 11.00 C ATOM 1280 C ASN A 81 14.255 -8.231 -10.310 1.00 74.33 C ATOM 1281 O ASN A 81 14.644 -8.696 -11.379 1.00 61.32 O ATOM 1282 CB ASN A 81 14.630 -10.444 -9.138 1.00 44.14 C ATOM 1283 CG ASN A 81 16.062 -10.135 -8.710 1.00 4.43 C ATOM 1284 OD1 ASN A 81 16.802 -9.319 -9.439 1.00 12.31 O flip ATOM 1285 ND2 ASN A 81 16.503 -10.598 -7.663 1.00 0.21 N flip ATOM 0 H ASN A 81 12.237 -10.330 -9.961 1.00 44.13 H new ATOM 0 HA ASN A 81 13.914 -8.651 -8.239 1.00 11.00 H new ATOM 0 HB2 ASN A 81 14.181 -11.149 -8.438 1.00 44.14 H new ATOM 0 HB3 ASN A 81 14.634 -10.925 -10.116 1.00 44.14 H new ATOM 0 HD21 ASN A 81 15.929 -11.228 -7.102 1.00 0.21 H new ATOM 0 HD22 ASN A 81 17.443 -10.353 -7.353 1.00 0.21 H new ATOM 1292 N GLU A 82 14.289 -6.928 -10.057 1.00 20.40 N ATOM 1293 CA GLU A 82 14.852 -5.920 -10.955 1.00 0.02 C ATOM 1294 C GLU A 82 15.792 -5.012 -10.152 1.00 31.30 C ATOM 1295 O GLU A 82 15.600 -4.882 -8.938 1.00 4.10 O ATOM 1296 CB GLU A 82 13.700 -5.095 -11.540 1.00 65.44 C ATOM 1297 CG GLU A 82 12.987 -5.770 -12.722 1.00 1.20 C ATOM 1298 CD GLU A 82 13.807 -5.741 -14.014 1.00 64.45 C ATOM 1299 OE1 GLU A 82 14.456 -4.708 -14.301 1.00 41.32 O ATOM 1300 OE2 GLU A 82 13.842 -6.775 -14.723 1.00 22.14 O ATOM 0 H GLU A 82 13.915 -6.529 -9.196 1.00 20.40 H new ATOM 0 HA GLU A 82 15.412 -6.391 -11.763 1.00 0.02 H new ATOM 0 HB2 GLU A 82 12.971 -4.898 -10.754 1.00 65.44 H new ATOM 0 HB3 GLU A 82 14.087 -4.129 -11.865 1.00 65.44 H new ATOM 0 HG2 GLU A 82 12.766 -6.805 -12.462 1.00 1.20 H new ATOM 0 HG3 GLU A 82 12.032 -5.274 -12.894 1.00 1.20 H new ATOM 1307 N PRO A 83 16.765 -4.339 -10.790 1.00 13.05 N ATOM 1308 CA PRO A 83 17.695 -3.454 -10.102 1.00 43.05 C ATOM 1309 C PRO A 83 17.071 -2.095 -9.745 1.00 33.54 C ATOM 1310 O PRO A 83 17.646 -1.378 -8.931 1.00 4.03 O ATOM 1311 CB PRO A 83 18.865 -3.287 -11.074 1.00 3.12 C ATOM 1312 CG PRO A 83 18.201 -3.390 -12.444 1.00 71.31 C ATOM 1313 CD PRO A 83 17.105 -4.425 -12.203 1.00 20.11 C ATOM 0 HA PRO A 83 18.001 -3.876 -9.145 1.00 43.05 H new ATOM 0 HB2 PRO A 83 19.365 -2.328 -10.940 1.00 3.12 H new ATOM 0 HB3 PRO A 83 19.619 -4.062 -10.933 1.00 3.12 H new ATOM 0 HG2 PRO A 83 17.792 -2.434 -12.769 1.00 71.31 H new ATOM 0 HG3 PRO A 83 18.903 -3.714 -13.212 1.00 71.31 H new ATOM 0 HD2 PRO A 83 16.234 -4.221 -12.826 1.00 20.11 H new ATOM 0 HD3 PRO A 83 17.452 -5.426 -12.459 1.00 20.11 H new ATOM 1321 N ALA A 84 15.909 -1.737 -10.300 1.00 55.24 N ATOM 1322 CA ALA A 84 15.259 -0.441 -10.094 1.00 20.41 C ATOM 1323 C ALA A 84 13.726 -0.504 -10.203 1.00 42.12 C ATOM 1324 O ALA A 84 13.062 0.517 -10.034 1.00 64.24 O ATOM 1325 CB ALA A 84 15.809 0.508 -11.165 1.00 14.21 C ATOM 0 H ALA A 84 15.383 -2.355 -10.919 1.00 55.24 H new ATOM 0 HA ALA A 84 15.475 -0.100 -9.082 1.00 20.41 H new ATOM 0 HB1 ALA A 84 15.351 1.490 -11.050 1.00 14.21 H new ATOM 0 HB2 ALA A 84 16.890 0.596 -11.053 1.00 14.21 H new ATOM 0 HB3 ALA A 84 15.578 0.113 -12.154 1.00 14.21 H new ATOM 1331 N HIS A 85 13.155 -1.674 -10.513 1.00 75.22 N ATOM 1332 CA HIS A 85 11.784 -1.794 -11.021 1.00 4.24 C ATOM 1333 C HIS A 85 11.092 -2.963 -10.306 1.00 53.11 C ATOM 1334 O HIS A 85 10.723 -3.962 -10.927 1.00 35.55 O ATOM 1335 CB HIS A 85 11.791 -1.925 -12.565 1.00 62.42 C ATOM 1336 CG HIS A 85 12.936 -1.257 -13.284 1.00 51.43 C ATOM 1337 ND1 HIS A 85 14.032 -1.885 -13.843 1.00 60.23 N ATOM 1338 CD2 HIS A 85 13.071 0.085 -13.511 1.00 34.23 C ATOM 1339 CE1 HIS A 85 14.829 -0.936 -14.366 1.00 71.21 C ATOM 1340 NE2 HIS A 85 14.270 0.278 -14.207 1.00 33.22 N ATOM 0 H HIS A 85 13.634 -2.569 -10.418 1.00 75.22 H new ATOM 0 HA HIS A 85 11.209 -0.894 -10.804 1.00 4.24 H new ATOM 0 HB2 HIS A 85 11.798 -2.985 -12.819 1.00 62.42 H new ATOM 0 HB3 HIS A 85 10.858 -1.512 -12.948 1.00 62.42 H new ATOM 0 HD1 HIS A 85 14.206 -2.890 -13.857 1.00 60.23 H new ATOM 0 HD2 HIS A 85 12.378 0.856 -13.208 1.00 34.23 H new ATOM 0 HE1 HIS A 85 15.780 -1.121 -14.844 1.00 71.21 H new ATOM 1348 N LYS A 86 11.036 -2.898 -8.972 1.00 54.02 N ATOM 1349 CA LYS A 86 10.482 -3.964 -8.141 1.00 52.34 C ATOM 1350 C LYS A 86 9.119 -3.508 -7.650 1.00 60.23 C ATOM 1351 O LYS A 86 8.860 -2.320 -7.524 1.00 23.13 O ATOM 1352 CB LYS A 86 11.411 -4.296 -6.955 1.00 54.34 C ATOM 1353 CG LYS A 86 12.776 -4.838 -7.417 1.00 40.31 C ATOM 1354 CD LYS A 86 13.509 -5.681 -6.351 1.00 71.22 C ATOM 1355 CE LYS A 86 14.480 -4.858 -5.494 1.00 20.10 C ATOM 1356 NZ LYS A 86 15.786 -4.673 -6.170 1.00 55.41 N ATOM 0 H LYS A 86 11.377 -2.098 -8.438 1.00 54.02 H new ATOM 0 HA LYS A 86 10.388 -4.878 -8.728 1.00 52.34 H new ATOM 0 HB2 LYS A 86 11.563 -3.400 -6.353 1.00 54.34 H new ATOM 0 HB3 LYS A 86 10.928 -5.033 -6.313 1.00 54.34 H new ATOM 0 HG2 LYS A 86 12.631 -5.446 -8.310 1.00 40.31 H new ATOM 0 HG3 LYS A 86 13.411 -3.999 -7.702 1.00 40.31 H new ATOM 0 HD2 LYS A 86 12.773 -6.154 -5.702 1.00 71.22 H new ATOM 0 HD3 LYS A 86 14.059 -6.482 -6.845 1.00 71.22 H new ATOM 0 HE2 LYS A 86 14.040 -3.884 -5.279 1.00 20.10 H new ATOM 0 HE3 LYS A 86 14.633 -5.357 -4.537 1.00 20.10 H new ATOM 0 HZ1 LYS A 86 16.103 -3.690 -6.050 1.00 55.41 H new ATOM 0 HZ2 LYS A 86 16.488 -5.316 -5.751 1.00 55.41 H new ATOM 0 HZ3 LYS A 86 15.685 -4.883 -7.183 1.00 55.41 H new ATOM 1370 N GLU A 87 8.266 -4.446 -7.284 1.00 21.23 N ATOM 1371 CA GLU A 87 6.974 -4.172 -6.697 1.00 74.43 C ATOM 1372 C GLU A 87 6.652 -5.306 -5.730 1.00 20.54 C ATOM 1373 O GLU A 87 7.401 -6.285 -5.658 1.00 34.42 O ATOM 1374 CB GLU A 87 5.922 -3.913 -7.782 1.00 34.31 C ATOM 1375 CG GLU A 87 5.688 -4.978 -8.849 1.00 31.30 C ATOM 1376 CD GLU A 87 4.259 -4.869 -9.401 1.00 32.21 C ATOM 1377 OE1 GLU A 87 3.323 -5.462 -8.814 1.00 14.33 O ATOM 1378 OE2 GLU A 87 4.043 -4.150 -10.403 1.00 13.42 O ATOM 0 H GLU A 87 8.460 -5.442 -7.390 1.00 21.23 H new ATOM 0 HA GLU A 87 6.978 -3.249 -6.118 1.00 74.43 H new ATOM 0 HB2 GLU A 87 4.970 -3.732 -7.282 1.00 34.31 H new ATOM 0 HB3 GLU A 87 6.195 -2.989 -8.292 1.00 34.31 H new ATOM 0 HG2 GLU A 87 6.409 -4.857 -9.658 1.00 31.30 H new ATOM 0 HG3 GLU A 87 5.848 -5.969 -8.425 1.00 31.30 H new ATOM 1385 N PHE A 88 5.615 -5.136 -4.915 1.00 5.14 N ATOM 1386 CA PHE A 88 5.357 -5.944 -3.732 1.00 12.44 C ATOM 1387 C PHE A 88 3.940 -6.480 -3.776 1.00 51.35 C ATOM 1388 O PHE A 88 3.023 -5.803 -4.240 1.00 14.02 O ATOM 1389 CB PHE A 88 5.595 -5.088 -2.487 1.00 42.22 C ATOM 1390 CG PHE A 88 5.580 -5.814 -1.158 1.00 55.12 C ATOM 1391 CD1 PHE A 88 4.356 -6.066 -0.506 1.00 3.52 C ATOM 1392 CD2 PHE A 88 6.794 -6.170 -0.538 1.00 21.50 C ATOM 1393 CE1 PHE A 88 4.349 -6.673 0.761 1.00 41.14 C ATOM 1394 CE2 PHE A 88 6.784 -6.772 0.732 1.00 62.25 C ATOM 1395 CZ PHE A 88 5.562 -7.018 1.376 1.00 5.21 C ATOM 0 H PHE A 88 4.913 -4.412 -5.065 1.00 5.14 H new ATOM 0 HA PHE A 88 6.033 -6.799 -3.701 1.00 12.44 H new ATOM 0 HB2 PHE A 88 6.559 -4.590 -2.594 1.00 42.22 H new ATOM 0 HB3 PHE A 88 4.835 -4.307 -2.459 1.00 42.22 H new ATOM 0 HD1 PHE A 88 3.425 -5.793 -0.980 1.00 3.52 H new ATOM 0 HD2 PHE A 88 7.732 -5.980 -1.038 1.00 21.50 H new ATOM 0 HE1 PHE A 88 3.413 -6.874 1.260 1.00 41.14 H new ATOM 0 HE2 PHE A 88 7.713 -7.044 1.210 1.00 62.25 H new ATOM 0 HZ PHE A 88 5.555 -7.477 2.354 1.00 5.21 H new ATOM 1405 N GLU A 89 3.757 -7.684 -3.261 1.00 14.33 N ATOM 1406 CA GLU A 89 2.503 -8.402 -3.259 1.00 64.14 C ATOM 1407 C GLU A 89 2.363 -9.058 -1.887 1.00 13.05 C ATOM 1408 O GLU A 89 3.328 -9.636 -1.372 1.00 54.54 O ATOM 1409 CB GLU A 89 2.541 -9.449 -4.393 1.00 22.11 C ATOM 1410 CG GLU A 89 1.974 -8.872 -5.703 1.00 40.12 C ATOM 1411 CD GLU A 89 1.977 -9.897 -6.843 1.00 41.22 C ATOM 1412 OE1 GLU A 89 3.028 -10.092 -7.495 1.00 74.11 O ATOM 1413 OE2 GLU A 89 0.923 -10.544 -7.079 1.00 5.35 O ATOM 0 H GLU A 89 4.512 -8.205 -2.816 1.00 14.33 H new ATOM 0 HA GLU A 89 1.647 -7.749 -3.433 1.00 64.14 H new ATOM 0 HB2 GLU A 89 3.567 -9.779 -4.552 1.00 22.11 H new ATOM 0 HB3 GLU A 89 1.965 -10.327 -4.100 1.00 22.11 H new ATOM 0 HG2 GLU A 89 0.955 -8.525 -5.533 1.00 40.12 H new ATOM 0 HG3 GLU A 89 2.562 -8.003 -5.998 1.00 40.12 H new ATOM 1420 N ALA A 90 1.170 -8.981 -1.296 1.00 11.32 N ATOM 1421 CA ALA A 90 0.773 -9.839 -0.195 1.00 11.22 C ATOM 1422 C ALA A 90 -0.618 -10.393 -0.469 1.00 3.25 C ATOM 1423 O ALA A 90 -1.475 -9.718 -1.053 1.00 62.33 O ATOM 1424 CB ALA A 90 0.796 -9.087 1.137 1.00 54.11 C ATOM 0 H ALA A 90 0.451 -8.314 -1.575 1.00 11.32 H new ATOM 0 HA ALA A 90 1.487 -10.659 -0.117 1.00 11.22 H new ATOM 0 HB1 ALA A 90 0.493 -9.759 1.940 1.00 54.11 H new ATOM 0 HB2 ALA A 90 1.804 -8.721 1.331 1.00 54.11 H new ATOM 0 HB3 ALA A 90 0.107 -8.244 1.091 1.00 54.11 H new ATOM 1430 N GLY A 91 -0.846 -11.609 0.005 1.00 23.43 N ATOM 1431 CA GLY A 91 -2.029 -12.401 -0.251 1.00 24.35 C ATOM 1432 C GLY A 91 -1.798 -13.820 0.226 1.00 25.51 C ATOM 1433 O GLY A 91 -0.685 -14.169 0.626 1.00 74.41 O ATOM 0 H GLY A 91 -0.176 -12.088 0.607 1.00 23.43 H new ATOM 0 HA2 GLY A 91 -2.888 -11.968 0.262 1.00 24.35 H new ATOM 0 HA3 GLY A 91 -2.259 -12.397 -1.316 1.00 24.35 H new ATOM 1437 N TYR A 92 -2.849 -14.633 0.223 1.00 63.25 N ATOM 1438 CA TYR A 92 -2.759 -16.006 0.696 1.00 73.45 C ATOM 1439 C TYR A 92 -2.295 -16.938 -0.429 1.00 24.13 C ATOM 1440 O TYR A 92 -2.136 -16.529 -1.585 1.00 35.33 O ATOM 1441 CB TYR A 92 -4.079 -16.413 1.374 1.00 71.32 C ATOM 1442 CG TYR A 92 -4.302 -15.694 2.690 1.00 20.23 C ATOM 1443 CD1 TYR A 92 -4.713 -14.348 2.692 1.00 34.45 C ATOM 1444 CD2 TYR A 92 -4.058 -16.351 3.910 1.00 20.31 C ATOM 1445 CE1 TYR A 92 -4.839 -13.641 3.899 1.00 60.42 C ATOM 1446 CE2 TYR A 92 -4.198 -15.656 5.123 1.00 63.54 C ATOM 1447 CZ TYR A 92 -4.569 -14.292 5.120 1.00 60.13 C ATOM 1448 OH TYR A 92 -4.677 -13.615 6.289 1.00 41.04 O ATOM 0 H TYR A 92 -3.776 -14.361 -0.104 1.00 63.25 H new ATOM 0 HA TYR A 92 -1.992 -16.094 1.465 1.00 73.45 H new ATOM 0 HB2 TYR A 92 -4.910 -16.199 0.702 1.00 71.32 H new ATOM 0 HB3 TYR A 92 -4.078 -17.489 1.547 1.00 71.32 H new ATOM 0 HD1 TYR A 92 -4.933 -13.854 1.757 1.00 34.45 H new ATOM 0 HD2 TYR A 92 -3.763 -17.390 3.914 1.00 20.31 H new ATOM 0 HE1 TYR A 92 -5.141 -12.604 3.892 1.00 60.42 H new ATOM 0 HE2 TYR A 92 -4.022 -16.165 6.059 1.00 63.54 H new ATOM 0 HH TYR A 92 -4.457 -14.212 7.034 1.00 41.04 H new ATOM 1458 N ASP A 93 -2.002 -18.192 -0.089 1.00 23.54 N ATOM 1459 CA ASP A 93 -1.648 -19.193 -1.092 1.00 72.14 C ATOM 1460 C ASP A 93 -2.891 -19.539 -1.918 1.00 22.30 C ATOM 1461 O ASP A 93 -4.025 -19.345 -1.471 1.00 63.31 O ATOM 1462 CB ASP A 93 -1.037 -20.433 -0.427 1.00 13.24 C ATOM 1463 CG ASP A 93 -0.328 -21.386 -1.397 1.00 34.23 C ATOM 1464 OD1 ASP A 93 -0.066 -21.020 -2.569 1.00 12.32 O ATOM 1465 OD2 ASP A 93 0.061 -22.479 -0.926 1.00 43.54 O ATOM 0 H ASP A 93 -2.003 -18.538 0.871 1.00 23.54 H new ATOM 0 HA ASP A 93 -0.890 -18.790 -1.764 1.00 72.14 H new ATOM 0 HB2 ASP A 93 -0.324 -20.110 0.332 1.00 13.24 H new ATOM 0 HB3 ASP A 93 -1.826 -20.980 0.089 1.00 13.24 H new ATOM 1470 N GLU A 94 -2.672 -20.032 -3.136 1.00 2.23 N ATOM 1471 CA GLU A 94 -3.650 -20.383 -4.164 1.00 60.23 C ATOM 1472 C GLU A 94 -4.731 -19.321 -4.443 1.00 71.44 C ATOM 1473 O GLU A 94 -5.701 -19.613 -5.145 1.00 1.20 O ATOM 1474 CB GLU A 94 -4.207 -21.788 -3.910 1.00 12.01 C ATOM 1475 CG GLU A 94 -3.112 -22.863 -3.991 1.00 41.24 C ATOM 1476 CD GLU A 94 -3.676 -24.255 -4.259 1.00 23.24 C ATOM 1477 OE1 GLU A 94 -4.221 -24.896 -3.329 1.00 5.35 O ATOM 1478 OE2 GLU A 94 -3.533 -24.714 -5.420 1.00 72.24 O ATOM 0 H GLU A 94 -1.721 -20.212 -3.457 1.00 2.23 H new ATOM 0 HA GLU A 94 -3.106 -20.400 -5.109 1.00 60.23 H new ATOM 0 HB2 GLU A 94 -4.675 -21.820 -2.926 1.00 12.01 H new ATOM 0 HB3 GLU A 94 -4.985 -22.007 -4.641 1.00 12.01 H new ATOM 0 HG2 GLU A 94 -2.409 -22.601 -4.782 1.00 41.24 H new ATOM 0 HG3 GLU A 94 -2.551 -22.876 -3.057 1.00 41.24 H new ATOM 1485 N SER A 95 -4.567 -18.081 -3.979 1.00 35.31 N ATOM 1486 CA SER A 95 -5.552 -17.011 -4.048 1.00 2.50 C ATOM 1487 C SER A 95 -4.931 -15.726 -4.604 1.00 65.43 C ATOM 1488 O SER A 95 -3.712 -15.633 -4.814 1.00 5.21 O ATOM 1489 CB SER A 95 -6.138 -16.789 -2.651 1.00 21.34 C ATOM 1490 OG SER A 95 -5.167 -16.888 -1.632 1.00 34.33 O ATOM 0 H SER A 95 -3.703 -17.786 -3.525 1.00 35.31 H new ATOM 0 HA SER A 95 -6.352 -17.296 -4.731 1.00 2.50 H new ATOM 0 HB2 SER A 95 -6.604 -15.805 -2.609 1.00 21.34 H new ATOM 0 HB3 SER A 95 -6.924 -17.522 -2.471 1.00 21.34 H new ATOM 0 HG SER A 95 -4.898 -17.824 -1.526 1.00 34.33 H new ATOM 1496 N GLU A 96 -5.771 -14.736 -4.900 1.00 4.13 N ATOM 1497 CA GLU A 96 -5.314 -13.433 -5.347 1.00 4.11 C ATOM 1498 C GLU A 96 -4.734 -12.613 -4.185 1.00 25.32 C ATOM 1499 O GLU A 96 -5.098 -12.843 -3.025 1.00 22.11 O ATOM 1500 CB GLU A 96 -6.429 -12.703 -6.094 1.00 3.33 C ATOM 1501 CG GLU A 96 -7.634 -12.356 -5.232 1.00 52.15 C ATOM 1502 CD GLU A 96 -8.810 -13.311 -5.432 1.00 74.21 C ATOM 1503 OE1 GLU A 96 -8.711 -14.500 -5.056 1.00 34.43 O ATOM 1504 OE2 GLU A 96 -9.847 -12.858 -5.980 1.00 40.31 O ATOM 0 H GLU A 96 -6.785 -14.820 -4.835 1.00 4.13 H new ATOM 0 HA GLU A 96 -4.496 -13.573 -6.053 1.00 4.11 H new ATOM 0 HB2 GLU A 96 -6.025 -11.785 -6.520 1.00 3.33 H new ATOM 0 HB3 GLU A 96 -6.759 -13.323 -6.927 1.00 3.33 H new ATOM 0 HG2 GLU A 96 -7.338 -12.368 -4.183 1.00 52.15 H new ATOM 0 HG3 GLU A 96 -7.956 -11.340 -5.460 1.00 52.15 H new ATOM 1511 N PRO A 97 -3.854 -11.641 -4.469 1.00 2.31 N ATOM 1512 CA PRO A 97 -3.364 -10.713 -3.464 1.00 24.53 C ATOM 1513 C PRO A 97 -4.419 -9.648 -3.118 1.00 11.44 C ATOM 1514 O PRO A 97 -5.535 -9.632 -3.656 1.00 71.35 O ATOM 1515 CB PRO A 97 -2.065 -10.167 -4.066 1.00 72.24 C ATOM 1516 CG PRO A 97 -2.396 -10.100 -5.553 1.00 45.43 C ATOM 1517 CD PRO A 97 -3.201 -11.382 -5.750 1.00 31.33 C ATOM 0 HA PRO A 97 -3.167 -11.174 -2.496 1.00 24.53 H new ATOM 0 HB2 PRO A 97 -1.810 -9.187 -3.662 1.00 72.24 H new ATOM 0 HB3 PRO A 97 -1.218 -10.824 -3.868 1.00 72.24 H new ATOM 0 HG2 PRO A 97 -2.975 -9.211 -5.804 1.00 45.43 H new ATOM 0 HG3 PRO A 97 -1.499 -10.081 -6.171 1.00 45.43 H new ATOM 0 HD2 PRO A 97 -3.935 -11.264 -6.547 1.00 31.33 H new ATOM 0 HD3 PRO A 97 -2.553 -12.211 -6.034 1.00 31.33 H new ATOM 1525 N SER A 98 -4.088 -8.778 -2.161 1.00 3.31 N ATOM 1526 CA SER A 98 -4.927 -7.637 -1.790 1.00 4.14 C ATOM 1527 C SER A 98 -4.096 -6.430 -1.304 1.00 15.03 C ATOM 1528 O SER A 98 -4.677 -5.393 -0.962 1.00 43.04 O ATOM 1529 CB SER A 98 -5.953 -8.109 -0.745 1.00 21.34 C ATOM 1530 OG SER A 98 -6.957 -7.134 -0.526 1.00 55.41 O ATOM 0 H SER A 98 -3.226 -8.846 -1.619 1.00 3.31 H new ATOM 0 HA SER A 98 -5.456 -7.275 -2.671 1.00 4.14 H new ATOM 0 HB2 SER A 98 -6.414 -9.038 -1.080 1.00 21.34 H new ATOM 0 HB3 SER A 98 -5.444 -8.326 0.194 1.00 21.34 H new ATOM 0 HG SER A 98 -6.563 -6.239 -0.591 1.00 55.41 H new ATOM 1536 N LEU A 99 -2.762 -6.518 -1.302 1.00 31.24 N ATOM 1537 CA LEU A 99 -1.845 -5.444 -0.947 1.00 23.50 C ATOM 1538 C LEU A 99 -0.801 -5.393 -2.065 1.00 4.03 C ATOM 1539 O LEU A 99 0.017 -6.307 -2.187 1.00 44.12 O ATOM 1540 CB LEU A 99 -1.242 -5.727 0.444 1.00 54.24 C ATOM 1541 CG LEU A 99 -0.669 -4.528 1.220 1.00 40.24 C ATOM 1542 CD1 LEU A 99 0.477 -3.827 0.487 1.00 42.14 C ATOM 1543 CD2 LEU A 99 -1.749 -3.503 1.583 1.00 54.22 C ATOM 0 H LEU A 99 -2.277 -7.378 -1.559 1.00 31.24 H new ATOM 0 HA LEU A 99 -2.331 -4.471 -0.868 1.00 23.50 H new ATOM 0 HB2 LEU A 99 -2.014 -6.189 1.059 1.00 54.24 H new ATOM 0 HB3 LEU A 99 -0.447 -6.463 0.324 1.00 54.24 H new ATOM 0 HG LEU A 99 -0.265 -4.956 2.138 1.00 40.24 H new ATOM 0 HD11 LEU A 99 0.836 -2.991 1.088 1.00 42.14 H new ATOM 0 HD12 LEU A 99 1.291 -4.533 0.325 1.00 42.14 H new ATOM 0 HD13 LEU A 99 0.121 -3.457 -0.474 1.00 42.14 H new ATOM 0 HD21 LEU A 99 -1.296 -2.676 2.129 1.00 54.22 H new ATOM 0 HD22 LEU A 99 -2.213 -3.125 0.672 1.00 54.22 H new ATOM 0 HD23 LEU A 99 -2.507 -3.978 2.206 1.00 54.22 H new ATOM 1555 N ARG A 100 -0.863 -4.362 -2.914 1.00 4.04 N ATOM 1556 CA ARG A 100 -0.021 -4.202 -4.107 1.00 24.30 C ATOM 1557 C ARG A 100 0.738 -2.894 -3.947 1.00 72.55 C ATOM 1558 O ARG A 100 0.114 -1.882 -3.608 1.00 62.12 O ATOM 1559 CB ARG A 100 -0.893 -4.245 -5.390 1.00 2.51 C ATOM 1560 CG ARG A 100 -0.203 -4.866 -6.613 1.00 4.14 C ATOM 1561 CD ARG A 100 -1.191 -5.495 -7.601 1.00 31.43 C ATOM 1562 NE ARG A 100 -2.096 -4.504 -8.212 1.00 24.11 N ATOM 1563 CZ ARG A 100 -3.292 -4.776 -8.752 1.00 23.22 C ATOM 1564 NH1 ARG A 100 -3.821 -5.992 -8.694 1.00 61.12 N ATOM 1565 NH2 ARG A 100 -3.971 -3.817 -9.366 1.00 24.30 N ATOM 0 H ARG A 100 -1.520 -3.592 -2.787 1.00 4.04 H new ATOM 0 HA ARG A 100 0.695 -5.017 -4.209 1.00 24.30 H new ATOM 0 HB2 ARG A 100 -1.801 -4.809 -5.177 1.00 2.51 H new ATOM 0 HB3 ARG A 100 -1.199 -3.229 -5.639 1.00 2.51 H new ATOM 0 HG2 ARG A 100 0.376 -4.098 -7.126 1.00 4.14 H new ATOM 0 HG3 ARG A 100 0.502 -5.627 -6.278 1.00 4.14 H new ATOM 0 HD2 ARG A 100 -0.636 -6.007 -8.387 1.00 31.43 H new ATOM 0 HD3 ARG A 100 -1.783 -6.251 -7.085 1.00 31.43 H new ATOM 0 HE ARG A 100 -1.786 -3.532 -8.225 1.00 24.11 H new ATOM 0 HH11 ARG A 100 -3.315 -6.747 -8.230 1.00 61.12 H new ATOM 0 HH12 ARG A 100 -4.733 -6.172 -9.113 1.00 61.12 H new ATOM 0 HH21 ARG A 100 -3.583 -2.876 -9.426 1.00 24.30 H new ATOM 0 HH22 ARG A 100 -4.882 -4.021 -9.778 1.00 24.30 H new ATOM 1579 N VAL A 101 2.059 -2.890 -4.104 1.00 2.30 N ATOM 1580 CA VAL A 101 2.873 -1.682 -3.965 1.00 43.43 C ATOM 1581 C VAL A 101 3.931 -1.653 -5.060 1.00 4.04 C ATOM 1582 O VAL A 101 4.933 -2.366 -4.978 1.00 41.23 O ATOM 1583 CB VAL A 101 3.509 -1.546 -2.563 1.00 71.53 C ATOM 1584 CG1 VAL A 101 4.037 -0.121 -2.394 1.00 63.54 C ATOM 1585 CG2 VAL A 101 2.531 -1.803 -1.422 1.00 43.21 C ATOM 0 H VAL A 101 2.598 -3.725 -4.332 1.00 2.30 H new ATOM 0 HA VAL A 101 2.214 -0.821 -4.077 1.00 43.43 H new ATOM 0 HB VAL A 101 4.297 -2.298 -2.509 1.00 71.53 H new ATOM 0 HG11 VAL A 101 4.488 -0.015 -1.407 1.00 63.54 H new ATOM 0 HG12 VAL A 101 4.786 0.083 -3.159 1.00 63.54 H new ATOM 0 HG13 VAL A 101 3.214 0.586 -2.495 1.00 63.54 H new ATOM 0 HG21 VAL A 101 3.047 -1.690 -0.468 1.00 43.21 H new ATOM 0 HG22 VAL A 101 1.711 -1.087 -1.478 1.00 43.21 H new ATOM 0 HG23 VAL A 101 2.135 -2.815 -1.503 1.00 43.21 H new ATOM 1595 N VAL A 102 3.721 -0.810 -6.068 1.00 0.40 N ATOM 1596 CA VAL A 102 4.712 -0.605 -7.119 1.00 44.34 C ATOM 1597 C VAL A 102 5.781 0.348 -6.617 1.00 2.10 C ATOM 1598 O VAL A 102 5.459 1.417 -6.084 1.00 34.33 O ATOM 1599 CB VAL A 102 4.080 -0.149 -8.444 1.00 71.42 C ATOM 1600 CG1 VAL A 102 5.124 -0.016 -9.566 1.00 24.42 C ATOM 1601 CG2 VAL A 102 3.065 -1.200 -8.901 1.00 61.33 C ATOM 0 H VAL A 102 2.871 -0.257 -6.178 1.00 0.40 H new ATOM 0 HA VAL A 102 5.182 -1.561 -7.350 1.00 44.34 H new ATOM 0 HB VAL A 102 3.618 0.822 -8.264 1.00 71.42 H new ATOM 0 HG11 VAL A 102 4.633 0.308 -10.483 1.00 24.42 H new ATOM 0 HG12 VAL A 102 5.876 0.718 -9.278 1.00 24.42 H new ATOM 0 HG13 VAL A 102 5.604 -0.980 -9.733 1.00 24.42 H new ATOM 0 HG21 VAL A 102 2.612 -0.884 -9.841 1.00 61.33 H new ATOM 0 HG22 VAL A 102 3.570 -2.155 -9.045 1.00 61.33 H new ATOM 0 HG23 VAL A 102 2.289 -1.310 -8.143 1.00 61.33 H new ATOM 1611 N PHE A 103 7.045 -0.036 -6.809 1.00 74.14 N ATOM 1612 CA PHE A 103 8.185 0.816 -6.511 1.00 13.03 C ATOM 1613 C PHE A 103 8.940 1.085 -7.811 1.00 22.53 C ATOM 1614 O PHE A 103 9.037 0.235 -8.699 1.00 22.30 O ATOM 1615 CB PHE A 103 9.080 0.177 -5.432 1.00 63.12 C ATOM 1616 CG PHE A 103 8.402 -0.058 -4.096 1.00 73.24 C ATOM 1617 CD1 PHE A 103 8.310 0.986 -3.159 1.00 60.44 C ATOM 1618 CD2 PHE A 103 7.864 -1.317 -3.778 1.00 24.21 C ATOM 1619 CE1 PHE A 103 7.706 0.764 -1.907 1.00 41.23 C ATOM 1620 CE2 PHE A 103 7.244 -1.526 -2.535 1.00 13.04 C ATOM 1621 CZ PHE A 103 7.179 -0.495 -1.587 1.00 0.41 C ATOM 0 H PHE A 103 7.301 -0.952 -7.177 1.00 74.14 H new ATOM 0 HA PHE A 103 7.849 1.768 -6.100 1.00 13.03 H new ATOM 0 HB2 PHE A 103 9.451 -0.777 -5.807 1.00 63.12 H new ATOM 0 HB3 PHE A 103 9.948 0.817 -5.275 1.00 63.12 H new ATOM 0 HD1 PHE A 103 8.704 1.962 -3.401 1.00 60.44 H new ATOM 0 HD2 PHE A 103 7.927 -2.126 -4.491 1.00 24.21 H new ATOM 0 HE1 PHE A 103 7.648 1.568 -1.189 1.00 41.23 H new ATOM 0 HE2 PHE A 103 6.813 -2.490 -2.307 1.00 13.04 H new ATOM 0 HZ PHE A 103 6.728 -0.669 -0.621 1.00 0.41 H new ATOM 1631 N GLU A 104 9.504 2.281 -7.922 1.00 61.42 N ATOM 1632 CA GLU A 104 10.367 2.676 -9.022 1.00 15.04 C ATOM 1633 C GLU A 104 11.532 3.452 -8.415 1.00 54.43 C ATOM 1634 O GLU A 104 11.380 4.091 -7.369 1.00 0.13 O ATOM 1635 CB GLU A 104 9.573 3.531 -10.025 1.00 71.45 C ATOM 1636 CG GLU A 104 8.619 2.683 -10.883 1.00 0.03 C ATOM 1637 CD GLU A 104 7.683 3.526 -11.745 1.00 42.32 C ATOM 1638 OE1 GLU A 104 8.116 4.493 -12.409 1.00 44.03 O ATOM 1639 OE2 GLU A 104 6.465 3.213 -11.789 1.00 55.21 O ATOM 0 H GLU A 104 9.369 3.019 -7.231 1.00 61.42 H new ATOM 0 HA GLU A 104 10.744 1.813 -9.570 1.00 15.04 H new ATOM 0 HB2 GLU A 104 9.000 4.284 -9.484 1.00 71.45 H new ATOM 0 HB3 GLU A 104 10.267 4.064 -10.675 1.00 71.45 H new ATOM 0 HG2 GLU A 104 9.205 2.027 -11.527 1.00 0.03 H new ATOM 0 HG3 GLU A 104 8.025 2.042 -10.231 1.00 0.03 H new ATOM 1646 N LEU A 105 12.689 3.397 -9.071 1.00 3.40 N ATOM 1647 CA LEU A 105 13.932 4.022 -8.646 1.00 51.12 C ATOM 1648 C LEU A 105 14.424 4.914 -9.782 1.00 23.41 C ATOM 1649 O LEU A 105 14.862 4.418 -10.822 1.00 34.23 O ATOM 1650 CB LEU A 105 14.955 2.928 -8.305 1.00 20.52 C ATOM 1651 CG LEU A 105 16.347 3.480 -7.952 1.00 11.04 C ATOM 1652 CD1 LEU A 105 16.408 3.961 -6.510 1.00 20.43 C ATOM 1653 CD2 LEU A 105 17.428 2.436 -8.195 1.00 31.33 C ATOM 0 H LEU A 105 12.786 2.892 -9.952 1.00 3.40 H new ATOM 0 HA LEU A 105 13.785 4.632 -7.754 1.00 51.12 H new ATOM 0 HB2 LEU A 105 14.582 2.341 -7.466 1.00 20.52 H new ATOM 0 HB3 LEU A 105 15.046 2.249 -9.153 1.00 20.52 H new ATOM 0 HG LEU A 105 16.528 4.333 -8.606 1.00 11.04 H new ATOM 0 HD11 LEU A 105 17.406 4.344 -6.296 1.00 20.43 H new ATOM 0 HD12 LEU A 105 15.675 4.754 -6.360 1.00 20.43 H new ATOM 0 HD13 LEU A 105 16.187 3.130 -5.840 1.00 20.43 H new ATOM 0 HD21 LEU A 105 18.401 2.853 -7.937 1.00 31.33 H new ATOM 0 HD22 LEU A 105 17.233 1.560 -7.576 1.00 31.33 H new ATOM 0 HD23 LEU A 105 17.424 2.146 -9.246 1.00 31.33 H new ATOM 1665 N THR A 106 14.404 6.226 -9.578 1.00 31.13 N ATOM 1666 CA THR A 106 14.913 7.216 -10.518 1.00 52.45 C ATOM 1667 C THR A 106 15.720 8.216 -9.698 1.00 4.51 C ATOM 1668 O THR A 106 15.403 8.427 -8.527 1.00 52.33 O ATOM 1669 CB THR A 106 13.736 7.874 -11.261 1.00 5.23 C ATOM 1670 OG1 THR A 106 12.922 6.903 -11.908 1.00 34.12 O ATOM 1671 CG2 THR A 106 14.201 8.880 -12.311 1.00 21.23 C ATOM 0 H THR A 106 14.022 6.642 -8.729 1.00 31.13 H new ATOM 0 HA THR A 106 15.551 6.775 -11.283 1.00 52.45 H new ATOM 0 HB THR A 106 13.161 8.396 -10.497 1.00 5.23 H new ATOM 0 HG1 THR A 106 11.993 7.006 -11.614 1.00 34.12 H new ATOM 0 HG21 THR A 106 13.334 9.316 -12.807 1.00 21.23 H new ATOM 0 HG22 THR A 106 14.778 9.669 -11.829 1.00 21.23 H new ATOM 0 HG23 THR A 106 14.824 8.374 -13.049 1.00 21.23 H new ATOM 1679 N ASP A 107 16.761 8.821 -10.281 1.00 71.34 N ATOM 1680 CA ASP A 107 17.638 9.777 -9.593 1.00 40.44 C ATOM 1681 C ASP A 107 18.369 9.106 -8.410 1.00 31.11 C ATOM 1682 O ASP A 107 18.947 9.775 -7.555 1.00 3.42 O ATOM 1683 CB ASP A 107 16.817 11.023 -9.193 1.00 1.03 C ATOM 1684 CG ASP A 107 17.657 12.283 -8.980 1.00 1.32 C ATOM 1685 OD1 ASP A 107 17.840 12.995 -9.986 1.00 45.55 O ATOM 1686 OD2 ASP A 107 17.983 12.631 -7.819 1.00 23.41 O ATOM 0 H ASP A 107 17.022 8.659 -11.254 1.00 71.34 H new ATOM 0 HA ASP A 107 18.428 10.113 -10.264 1.00 40.44 H new ATOM 0 HB2 ASP A 107 16.076 11.220 -9.967 1.00 1.03 H new ATOM 0 HB3 ASP A 107 16.270 10.805 -8.276 1.00 1.03 H new ATOM 1691 N GLY A 108 18.357 7.765 -8.326 1.00 71.25 N ATOM 1692 CA GLY A 108 18.866 7.026 -7.185 1.00 24.40 C ATOM 1693 C GLY A 108 17.923 7.051 -5.984 1.00 11.42 C ATOM 1694 O GLY A 108 18.314 6.548 -4.932 1.00 41.34 O ATOM 0 H GLY A 108 17.986 7.167 -9.064 1.00 71.25 H new ATOM 0 HA2 GLY A 108 19.042 5.991 -7.479 1.00 24.40 H new ATOM 0 HA3 GLY A 108 19.830 7.442 -6.891 1.00 24.40 H new ATOM 1698 N LYS A 109 16.701 7.590 -6.098 1.00 75.22 N ATOM 1699 CA LYS A 109 15.739 7.661 -4.998 1.00 12.03 C ATOM 1700 C LYS A 109 14.528 6.811 -5.365 1.00 2.41 C ATOM 1701 O LYS A 109 14.031 6.875 -6.490 1.00 20.21 O ATOM 1702 CB LYS A 109 15.310 9.115 -4.737 1.00 14.15 C ATOM 1703 CG LYS A 109 16.442 10.152 -4.662 1.00 22.45 C ATOM 1704 CD LYS A 109 17.520 9.923 -3.590 1.00 23.45 C ATOM 1705 CE LYS A 109 18.785 10.729 -3.922 1.00 13.32 C ATOM 1706 NZ LYS A 109 18.555 12.189 -4.013 1.00 41.15 N ATOM 0 H LYS A 109 16.352 7.992 -6.968 1.00 75.22 H new ATOM 0 HA LYS A 109 16.200 7.285 -4.085 1.00 12.03 H new ATOM 0 HB2 LYS A 109 14.621 9.416 -5.526 1.00 14.15 H new ATOM 0 HB3 LYS A 109 14.754 9.146 -3.800 1.00 14.15 H new ATOM 0 HG2 LYS A 109 16.933 10.191 -5.635 1.00 22.45 H new ATOM 0 HG3 LYS A 109 15.995 11.131 -4.491 1.00 22.45 H new ATOM 0 HD2 LYS A 109 17.139 10.219 -2.613 1.00 23.45 H new ATOM 0 HD3 LYS A 109 17.762 8.862 -3.530 1.00 23.45 H new ATOM 0 HE2 LYS A 109 19.539 10.536 -3.159 1.00 13.32 H new ATOM 0 HE3 LYS A 109 19.192 10.375 -4.869 1.00 13.32 H new ATOM 0 HZ1 LYS A 109 19.463 12.675 -4.155 1.00 41.15 H new ATOM 0 HZ2 LYS A 109 17.924 12.392 -4.815 1.00 41.15 H new ATOM 0 HZ3 LYS A 109 18.116 12.527 -3.133 1.00 41.15 H new ATOM 1720 N TRP A 110 14.069 5.981 -4.433 1.00 53.53 N ATOM 1721 CA TRP A 110 12.843 5.225 -4.633 1.00 74.45 C ATOM 1722 C TRP A 110 11.636 6.153 -4.483 1.00 2.12 C ATOM 1723 O TRP A 110 11.691 7.124 -3.711 1.00 72.31 O ATOM 1724 CB TRP A 110 12.781 4.074 -3.632 1.00 60.52 C ATOM 1725 CG TRP A 110 13.721 2.940 -3.908 1.00 33.25 C ATOM 1726 CD1 TRP A 110 14.950 2.761 -3.373 1.00 3.45 C ATOM 1727 CD2 TRP A 110 13.527 1.821 -4.827 1.00 52.35 C ATOM 1728 NE1 TRP A 110 15.520 1.624 -3.899 1.00 63.14 N ATOM 1729 CE2 TRP A 110 14.666 0.973 -4.760 1.00 23.11 C ATOM 1730 CE3 TRP A 110 12.524 1.456 -5.748 1.00 64.21 C ATOM 1731 CZ2 TRP A 110 14.782 -0.198 -5.522 1.00 13.42 C ATOM 1732 CZ3 TRP A 110 12.643 0.306 -6.555 1.00 32.24 C ATOM 1733 CH2 TRP A 110 13.764 -0.536 -6.432 1.00 51.31 C ATOM 0 H TRP A 110 14.527 5.817 -3.537 1.00 53.53 H new ATOM 0 HA TRP A 110 12.828 4.805 -5.639 1.00 74.45 H new ATOM 0 HB2 TRP A 110 12.992 4.466 -2.637 1.00 60.52 H new ATOM 0 HB3 TRP A 110 11.763 3.685 -3.612 1.00 60.52 H new ATOM 0 HD1 TRP A 110 15.413 3.410 -2.645 1.00 3.45 H new ATOM 0 HE1 TRP A 110 16.462 1.302 -3.677 1.00 63.14 H new ATOM 0 HE3 TRP A 110 11.642 2.073 -5.838 1.00 64.21 H new ATOM 0 HZ2 TRP A 110 15.646 -0.836 -5.411 1.00 13.42 H new ATOM 0 HZ3 TRP A 110 11.870 0.070 -7.271 1.00 32.24 H new ATOM 0 HH2 TRP A 110 13.842 -1.432 -7.030 1.00 51.31 H new ATOM 1744 N TYR A 111 10.549 5.833 -5.186 1.00 21.32 N ATOM 1745 CA TYR A 111 9.274 6.530 -5.128 1.00 32.23 C ATOM 1746 C TYR A 111 8.156 5.497 -5.386 1.00 23.15 C ATOM 1747 O TYR A 111 8.297 4.646 -6.267 1.00 1.33 O ATOM 1748 CB TYR A 111 9.323 7.736 -6.096 1.00 74.23 C ATOM 1749 CG TYR A 111 9.490 7.458 -7.582 1.00 60.42 C ATOM 1750 CD1 TYR A 111 10.726 6.999 -8.066 1.00 74.12 C ATOM 1751 CD2 TYR A 111 8.451 7.732 -8.495 1.00 42.43 C ATOM 1752 CE1 TYR A 111 10.911 6.766 -9.433 1.00 13.44 C ATOM 1753 CE2 TYR A 111 8.645 7.542 -9.879 1.00 33.41 C ATOM 1754 CZ TYR A 111 9.883 7.052 -10.352 1.00 45.35 C ATOM 1755 OH TYR A 111 10.132 6.961 -11.688 1.00 14.25 O ATOM 0 H TYR A 111 10.538 5.048 -5.837 1.00 21.32 H new ATOM 0 HA TYR A 111 9.058 6.963 -4.151 1.00 32.23 H new ATOM 0 HB2 TYR A 111 8.403 8.306 -5.965 1.00 74.23 H new ATOM 0 HB3 TYR A 111 10.144 8.381 -5.783 1.00 74.23 H new ATOM 0 HD1 TYR A 111 11.540 6.825 -7.378 1.00 74.12 H new ATOM 0 HD2 TYR A 111 7.499 8.090 -8.132 1.00 42.43 H new ATOM 0 HE1 TYR A 111 11.849 6.364 -9.786 1.00 13.44 H new ATOM 0 HE2 TYR A 111 7.851 7.770 -10.574 1.00 33.41 H new ATOM 0 HH TYR A 111 9.578 6.252 -12.077 1.00 14.25 H new ATOM 1765 N VAL A 112 7.085 5.465 -4.570 1.00 12.34 N ATOM 1766 CA VAL A 112 5.991 4.503 -4.737 1.00 1.41 C ATOM 1767 C VAL A 112 4.999 5.051 -5.771 1.00 33.33 C ATOM 1768 O VAL A 112 4.548 6.189 -5.598 1.00 14.13 O ATOM 1769 CB VAL A 112 5.270 4.278 -3.394 1.00 12.40 C ATOM 1770 CG1 VAL A 112 4.498 2.966 -3.435 1.00 20.43 C ATOM 1771 CG2 VAL A 112 6.201 4.223 -2.170 1.00 11.54 C ATOM 0 H VAL A 112 6.959 6.102 -3.784 1.00 12.34 H new ATOM 0 HA VAL A 112 6.396 3.551 -5.079 1.00 1.41 H new ATOM 0 HB VAL A 112 4.618 5.143 -3.275 1.00 12.40 H new ATOM 0 HG11 VAL A 112 3.990 2.813 -2.483 1.00 20.43 H new ATOM 0 HG12 VAL A 112 3.761 3.002 -4.237 1.00 20.43 H new ATOM 0 HG13 VAL A 112 5.189 2.143 -3.614 1.00 20.43 H new ATOM 0 HG21 VAL A 112 5.609 4.062 -1.269 1.00 11.54 H new ATOM 0 HG22 VAL A 112 6.911 3.404 -2.289 1.00 11.54 H new ATOM 0 HG23 VAL A 112 6.744 5.164 -2.083 1.00 11.54 H new ATOM 1781 N THR A 113 4.651 4.301 -6.818 1.00 44.54 N ATOM 1782 CA THR A 113 3.894 4.835 -7.956 1.00 25.52 C ATOM 1783 C THR A 113 2.464 4.285 -8.062 1.00 13.11 C ATOM 1784 O THR A 113 1.634 4.885 -8.754 1.00 41.13 O ATOM 1785 CB THR A 113 4.722 4.636 -9.240 1.00 20.20 C ATOM 1786 OG1 THR A 113 5.233 3.319 -9.327 1.00 34.20 O ATOM 1787 CG2 THR A 113 5.909 5.600 -9.250 1.00 42.22 C ATOM 0 H THR A 113 4.883 3.311 -6.903 1.00 44.54 H new ATOM 0 HA THR A 113 3.741 5.902 -7.797 1.00 25.52 H new ATOM 0 HB THR A 113 4.060 4.825 -10.085 1.00 20.20 H new ATOM 0 HG1 THR A 113 5.757 3.225 -10.150 1.00 34.20 H new ATOM 0 HG21 THR A 113 6.489 5.453 -10.161 1.00 42.22 H new ATOM 0 HG22 THR A 113 5.544 6.627 -9.214 1.00 42.22 H new ATOM 0 HG23 THR A 113 6.541 5.408 -8.383 1.00 42.22 H new ATOM 1795 N ASP A 114 2.129 3.216 -7.328 1.00 73.52 N ATOM 1796 CA ASP A 114 0.799 2.594 -7.367 1.00 12.33 C ATOM 1797 C ASP A 114 0.400 2.073 -5.981 1.00 53.15 C ATOM 1798 O ASP A 114 1.258 1.974 -5.094 1.00 13.33 O ATOM 1799 CB ASP A 114 0.797 1.440 -8.369 1.00 72.51 C ATOM 1800 CG ASP A 114 -0.623 1.151 -8.824 1.00 53.41 C ATOM 1801 OD1 ASP A 114 -1.169 2.040 -9.511 1.00 13.45 O ATOM 1802 OD2 ASP A 114 -1.183 0.085 -8.495 1.00 22.31 O ATOM 0 H ASP A 114 2.776 2.756 -6.687 1.00 73.52 H new ATOM 0 HA ASP A 114 0.075 3.348 -7.676 1.00 12.33 H new ATOM 0 HB2 ASP A 114 1.419 1.692 -9.228 1.00 72.51 H new ATOM 0 HB3 ASP A 114 1.230 0.550 -7.912 1.00 72.51 H new ATOM 1807 N CYS A 115 -0.875 1.735 -5.761 1.00 54.21 N ATOM 1808 CA CYS A 115 -1.365 1.192 -4.498 1.00 21.54 C ATOM 1809 C CYS A 115 -2.592 0.320 -4.733 1.00 52.33 C ATOM 1810 O CYS A 115 -3.426 0.638 -5.575 1.00 63.43 O ATOM 1811 CB CYS A 115 -1.689 2.377 -3.571 1.00 2.52 C ATOM 1812 SG CYS A 115 -2.469 1.969 -1.979 1.00 12.04 S ATOM 0 H CYS A 115 -1.603 1.834 -6.468 1.00 54.21 H new ATOM 0 HA CYS A 115 -0.609 0.559 -4.034 1.00 21.54 H new ATOM 0 HB2 CYS A 115 -0.763 2.916 -3.370 1.00 2.52 H new ATOM 0 HB3 CYS A 115 -2.346 3.061 -4.108 1.00 2.52 H new ATOM 0 HG CYS A 115 -3.507 2.730 -1.797 1.00 12.04 H new ATOM 1818 N TYR A 116 -2.712 -0.714 -3.905 1.00 3.02 N ATOM 1819 CA TYR A 116 -3.888 -1.532 -3.656 1.00 44.45 C ATOM 1820 C TYR A 116 -3.881 -1.794 -2.153 1.00 11.21 C ATOM 1821 O TYR A 116 -2.814 -2.077 -1.594 1.00 20.33 O ATOM 1822 CB TYR A 116 -3.771 -2.844 -4.432 1.00 21.41 C ATOM 1823 CG TYR A 116 -5.059 -3.411 -4.963 1.00 34.44 C ATOM 1824 CD1 TYR A 116 -5.897 -4.211 -4.166 1.00 13.32 C ATOM 1825 CD2 TYR A 116 -5.381 -3.161 -6.303 1.00 71.14 C ATOM 1826 CE1 TYR A 116 -7.080 -4.740 -4.711 1.00 53.12 C ATOM 1827 CE2 TYR A 116 -6.563 -3.679 -6.855 1.00 14.33 C ATOM 1828 CZ TYR A 116 -7.426 -4.461 -6.053 1.00 41.45 C ATOM 1829 OH TYR A 116 -8.628 -4.878 -6.532 1.00 31.35 O ATOM 0 H TYR A 116 -1.919 -1.025 -3.344 1.00 3.02 H new ATOM 0 HA TYR A 116 -4.811 -1.047 -3.974 1.00 44.45 H new ATOM 0 HB2 TYR A 116 -3.092 -2.688 -5.271 1.00 21.41 H new ATOM 0 HB3 TYR A 116 -3.310 -3.588 -3.782 1.00 21.41 H new ATOM 0 HD1 TYR A 116 -5.633 -4.418 -3.139 1.00 13.32 H new ATOM 0 HD2 TYR A 116 -4.717 -2.567 -6.914 1.00 71.14 H new ATOM 0 HE1 TYR A 116 -7.724 -5.359 -4.105 1.00 53.12 H new ATOM 0 HE2 TYR A 116 -6.812 -3.481 -7.887 1.00 14.33 H new ATOM 0 HH TYR A 116 -8.718 -4.609 -7.470 1.00 31.35 H new ATOM 1839 N ASN A 117 -5.025 -1.671 -1.490 1.00 12.44 N ATOM 1840 CA ASN A 117 -5.211 -1.944 -0.065 1.00 23.45 C ATOM 1841 C ASN A 117 -6.659 -2.396 0.116 1.00 71.33 C ATOM 1842 O ASN A 117 -7.543 -1.913 -0.609 1.00 71.42 O ATOM 1843 CB ASN A 117 -4.997 -0.662 0.763 1.00 41.33 C ATOM 1844 CG ASN A 117 -4.713 -0.940 2.233 1.00 33.20 C ATOM 1845 OD1 ASN A 117 -5.548 -1.520 2.907 1.00 5.14 O ATOM 1846 ND2 ASN A 117 -3.585 -0.509 2.774 1.00 22.40 N ATOM 0 H ASN A 117 -5.885 -1.366 -1.947 1.00 12.44 H new ATOM 0 HA ASN A 117 -4.499 -2.699 0.268 1.00 23.45 H new ATOM 0 HB2 ASN A 117 -4.166 -0.098 0.339 1.00 41.33 H new ATOM 0 HB3 ASN A 117 -5.884 -0.033 0.683 1.00 41.33 H new ATOM 0 HD21 ASN A 117 -3.405 -0.660 3.767 1.00 22.40 H new ATOM 0 HD22 ASN A 117 -2.895 -0.025 2.199 1.00 22.40 H new ATOM 1853 N ASP A 118 -6.932 -3.248 1.097 1.00 42.42 N ATOM 1854 CA ASP A 118 -8.278 -3.707 1.404 1.00 52.43 C ATOM 1855 C ASP A 118 -9.137 -2.660 2.128 1.00 64.52 C ATOM 1856 O ASP A 118 -10.361 -2.774 2.079 1.00 64.23 O ATOM 1857 CB ASP A 118 -8.251 -5.038 2.158 1.00 11.40 C ATOM 1858 CG ASP A 118 -7.343 -5.024 3.379 1.00 61.43 C ATOM 1859 OD1 ASP A 118 -7.536 -4.165 4.262 1.00 3.04 O ATOM 1860 OD2 ASP A 118 -6.444 -5.897 3.449 1.00 42.34 O ATOM 0 H ASP A 118 -6.216 -3.643 1.707 1.00 42.42 H new ATOM 0 HA ASP A 118 -8.767 -3.869 0.443 1.00 52.43 H new ATOM 0 HB2 ASP A 118 -9.264 -5.290 2.471 1.00 11.40 H new ATOM 0 HB3 ASP A 118 -7.922 -5.825 1.479 1.00 11.40 H new ATOM 1865 N TRP A 119 -8.555 -1.575 2.656 1.00 14.45 N ATOM 1866 CA TRP A 119 -9.305 -0.424 3.184 1.00 3.30 C ATOM 1867 C TRP A 119 -10.307 0.175 2.193 1.00 61.21 C ATOM 1868 O TRP A 119 -11.246 0.845 2.606 1.00 22.13 O ATOM 1869 CB TRP A 119 -8.337 0.686 3.613 1.00 53.23 C ATOM 1870 CG TRP A 119 -7.945 0.678 5.050 1.00 11.44 C ATOM 1871 CD1 TRP A 119 -6.731 0.354 5.539 1.00 12.01 C ATOM 1872 CD2 TRP A 119 -8.763 1.037 6.206 1.00 63.14 C ATOM 1873 NE1 TRP A 119 -6.724 0.558 6.904 1.00 3.01 N ATOM 1874 CE2 TRP A 119 -7.945 0.996 7.368 1.00 72.32 C ATOM 1875 CE3 TRP A 119 -10.112 1.404 6.387 1.00 24.10 C ATOM 1876 CZ2 TRP A 119 -8.427 1.359 8.633 1.00 2.54 C ATOM 1877 CZ3 TRP A 119 -10.614 1.763 7.653 1.00 34.32 C ATOM 1878 CH2 TRP A 119 -9.768 1.754 8.776 1.00 5.40 C ATOM 0 H TRP A 119 -7.543 -1.469 2.730 1.00 14.45 H new ATOM 0 HA TRP A 119 -9.872 -0.812 4.030 1.00 3.30 H new ATOM 0 HB2 TRP A 119 -7.434 0.609 3.008 1.00 53.23 H new ATOM 0 HB3 TRP A 119 -8.793 1.649 3.385 1.00 53.23 H new ATOM 0 HD1 TRP A 119 -5.897 -0.007 4.956 1.00 12.01 H new ATOM 0 HE1 TRP A 119 -5.910 0.403 7.499 1.00 3.01 H new ATOM 0 HE3 TRP A 119 -10.776 1.410 5.535 1.00 24.10 H new ATOM 0 HZ2 TRP A 119 -7.772 1.335 9.492 1.00 2.54 H new ATOM 0 HZ3 TRP A 119 -11.651 2.046 7.761 1.00 34.32 H new ATOM 0 HH2 TRP A 119 -10.147 2.049 9.743 1.00 5.40 H new ATOM 1889 N TYR A 120 -10.118 -0.037 0.889 1.00 32.55 N ATOM 1890 CA TYR A 120 -11.115 0.299 -0.120 1.00 40.25 C ATOM 1891 C TYR A 120 -11.229 -0.893 -1.083 1.00 14.00 C ATOM 1892 O TYR A 120 -11.076 -0.754 -2.302 1.00 24.14 O ATOM 1893 CB TYR A 120 -10.821 1.662 -0.778 1.00 11.34 C ATOM 1894 CG TYR A 120 -10.359 2.799 0.138 1.00 44.23 C ATOM 1895 CD1 TYR A 120 -11.246 3.537 0.965 1.00 60.25 C ATOM 1896 CD2 TYR A 120 -8.992 3.132 0.132 1.00 40.24 C ATOM 1897 CE1 TYR A 120 -10.750 4.577 1.794 1.00 63.12 C ATOM 1898 CE2 TYR A 120 -8.504 4.159 0.948 1.00 12.24 C ATOM 1899 CZ TYR A 120 -9.373 4.860 1.802 1.00 13.42 C ATOM 1900 OH TYR A 120 -8.882 5.815 2.633 1.00 73.31 O ATOM 0 H TYR A 120 -9.266 -0.447 0.506 1.00 32.55 H new ATOM 0 HA TYR A 120 -12.099 0.449 0.324 1.00 40.25 H new ATOM 0 HB2 TYR A 120 -10.056 1.511 -1.540 1.00 11.34 H new ATOM 0 HB3 TYR A 120 -11.724 1.990 -1.293 1.00 11.34 H new ATOM 0 HD1 TYR A 120 -12.301 3.307 0.963 1.00 60.25 H new ATOM 0 HD2 TYR A 120 -8.312 2.590 -0.509 1.00 40.24 H new ATOM 0 HE1 TYR A 120 -11.426 5.147 2.414 1.00 63.12 H new ATOM 0 HE2 TYR A 120 -7.455 4.414 0.921 1.00 12.24 H new ATOM 0 HH TYR A 120 -7.912 5.707 2.718 1.00 73.31 H new ATOM 1910 N ASN A 121 -11.394 -2.098 -0.519 1.00 40.33 N ATOM 1911 CA ASN A 121 -11.709 -3.326 -1.255 1.00 21.13 C ATOM 1912 C ASN A 121 -13.112 -3.239 -1.873 1.00 11.01 C ATOM 1913 O ASN A 121 -13.838 -2.275 -1.653 1.00 52.35 O ATOM 1914 CB ASN A 121 -11.594 -4.576 -0.357 1.00 22.34 C ATOM 1915 CG ASN A 121 -12.826 -4.795 0.504 1.00 31.21 C ATOM 1916 OD1 ASN A 121 -13.698 -5.557 0.107 1.00 22.30 O ATOM 1917 ND2 ASN A 121 -12.934 -4.127 1.639 1.00 52.02 N ATOM 0 H ASN A 121 -11.310 -2.247 0.487 1.00 40.33 H new ATOM 0 HA ASN A 121 -10.976 -3.425 -2.055 1.00 21.13 H new ATOM 0 HB2 ASN A 121 -11.432 -5.454 -0.982 1.00 22.34 H new ATOM 0 HB3 ASN A 121 -10.719 -4.477 0.286 1.00 22.34 H new ATOM 0 HD21 ASN A 121 -13.766 -4.237 2.218 1.00 52.02 H new ATOM 0 HD22 ASN A 121 -12.185 -3.501 1.936 1.00 52.02 H new ATOM 1924 N PHE A 122 -13.491 -4.250 -2.656 1.00 44.52 N ATOM 1925 CA PHE A 122 -14.707 -4.261 -3.465 1.00 42.53 C ATOM 1926 C PHE A 122 -16.005 -4.206 -2.646 1.00 42.43 C ATOM 1927 O PHE A 122 -17.002 -3.676 -3.136 1.00 14.03 O ATOM 1928 CB PHE A 122 -14.687 -5.527 -4.343 1.00 73.21 C ATOM 1929 CG PHE A 122 -14.892 -5.320 -5.833 1.00 40.32 C ATOM 1930 CD1 PHE A 122 -14.059 -4.432 -6.543 1.00 52.45 C ATOM 1931 CD2 PHE A 122 -15.853 -6.080 -6.531 1.00 21.12 C ATOM 1932 CE1 PHE A 122 -14.185 -4.306 -7.938 1.00 43.34 C ATOM 1933 CE2 PHE A 122 -15.963 -5.970 -7.928 1.00 44.44 C ATOM 1934 CZ PHE A 122 -15.128 -5.084 -8.633 1.00 62.21 C ATOM 0 H PHE A 122 -12.944 -5.106 -2.746 1.00 44.52 H new ATOM 0 HA PHE A 122 -14.707 -3.353 -4.068 1.00 42.53 H new ATOM 0 HB2 PHE A 122 -13.731 -6.029 -4.196 1.00 73.21 H new ATOM 0 HB3 PHE A 122 -15.461 -6.205 -3.983 1.00 73.21 H new ATOM 0 HD1 PHE A 122 -13.322 -3.846 -6.014 1.00 52.45 H new ATOM 0 HD2 PHE A 122 -16.507 -6.749 -5.991 1.00 21.12 H new ATOM 0 HE1 PHE A 122 -13.557 -3.611 -8.476 1.00 43.34 H new ATOM 0 HE2 PHE A 122 -16.689 -6.566 -8.461 1.00 44.44 H new ATOM 0 HZ PHE A 122 -15.211 -5.001 -9.707 1.00 62.21 H new ATOM 1944 N ASP A 123 -16.012 -4.740 -1.424 1.00 40.02 N ATOM 1945 CA ASP A 123 -17.160 -4.925 -0.525 1.00 73.41 C ATOM 1946 C ASP A 123 -17.546 -3.604 0.177 1.00 22.40 C ATOM 1947 O ASP A 123 -17.956 -3.608 1.341 1.00 64.13 O ATOM 1948 CB ASP A 123 -16.782 -6.047 0.467 1.00 45.12 C ATOM 1949 CG ASP A 123 -17.941 -6.750 1.188 1.00 0.54 C ATOM 1950 OD1 ASP A 123 -18.902 -7.186 0.516 1.00 14.14 O ATOM 1951 OD2 ASP A 123 -17.799 -7.061 2.398 1.00 2.43 O ATOM 0 H ASP A 123 -15.149 -5.082 -1.001 1.00 40.02 H new ATOM 0 HA ASP A 123 -18.051 -5.217 -1.082 1.00 73.41 H new ATOM 0 HB2 ASP A 123 -16.211 -6.801 -0.074 1.00 45.12 H new ATOM 0 HB3 ASP A 123 -16.118 -5.625 1.221 1.00 45.12 H new ATOM 1956 N LEU A 124 -17.340 -2.456 -0.489 1.00 40.41 N ATOM 1957 CA LEU A 124 -17.364 -1.109 0.076 1.00 34.53 C ATOM 1958 C LEU A 124 -18.203 -0.186 -0.819 1.00 5.03 C ATOM 1959 O LEU A 124 -17.646 0.396 -1.751 1.00 64.21 O ATOM 1960 CB LEU A 124 -15.912 -0.637 0.252 1.00 42.33 C ATOM 1961 CG LEU A 124 -15.671 0.767 0.846 1.00 54.54 C ATOM 1962 CD1 LEU A 124 -16.859 1.393 1.585 1.00 33.22 C ATOM 1963 CD2 LEU A 124 -14.512 0.685 1.831 1.00 31.30 C ATOM 0 H LEU A 124 -17.142 -2.449 -1.490 1.00 40.41 H new ATOM 0 HA LEU A 124 -17.840 -1.093 1.057 1.00 34.53 H new ATOM 0 HB2 LEU A 124 -15.401 -1.360 0.888 1.00 42.33 H new ATOM 0 HB3 LEU A 124 -15.429 -0.673 -0.724 1.00 42.33 H new ATOM 0 HG LEU A 124 -15.474 1.408 -0.013 1.00 54.54 H new ATOM 0 HD11 LEU A 124 -16.577 2.377 1.960 1.00 33.22 H new ATOM 0 HD12 LEU A 124 -17.701 1.493 0.901 1.00 33.22 H new ATOM 0 HD13 LEU A 124 -17.145 0.755 2.421 1.00 33.22 H new ATOM 0 HD21 LEU A 124 -14.329 1.670 2.260 1.00 31.30 H new ATOM 0 HD22 LEU A 124 -14.760 -0.017 2.627 1.00 31.30 H new ATOM 0 HD23 LEU A 124 -13.617 0.343 1.312 1.00 31.30 H new ATOM 1975 N PRO A 125 -19.534 -0.096 -0.647 1.00 22.24 N ATOM 1976 CA PRO A 125 -20.362 0.730 -1.508 1.00 2.43 C ATOM 1977 C PRO A 125 -19.966 2.197 -1.317 1.00 2.10 C ATOM 1978 O PRO A 125 -19.675 2.650 -0.210 1.00 2.34 O ATOM 1979 CB PRO A 125 -21.805 0.448 -1.083 1.00 3.40 C ATOM 1980 CG PRO A 125 -21.671 0.118 0.404 1.00 44.45 C ATOM 1981 CD PRO A 125 -20.290 -0.528 0.518 1.00 45.02 C ATOM 0 HA PRO A 125 -20.240 0.512 -2.569 1.00 2.43 H new ATOM 0 HB2 PRO A 125 -22.450 1.311 -1.248 1.00 3.40 H new ATOM 0 HB3 PRO A 125 -22.235 -0.382 -1.643 1.00 3.40 H new ATOM 0 HG2 PRO A 125 -21.744 1.014 1.020 1.00 44.45 H new ATOM 0 HG3 PRO A 125 -22.457 -0.561 0.734 1.00 44.45 H new ATOM 0 HD2 PRO A 125 -19.793 -0.221 1.438 1.00 45.02 H new ATOM 0 HD3 PRO A 125 -20.371 -1.615 0.547 1.00 45.02 H new ATOM 1989 N ILE A 126 -19.999 2.972 -2.398 1.00 4.20 N ATOM 1990 CA ILE A 126 -19.517 4.360 -2.398 1.00 60.44 C ATOM 1991 C ILE A 126 -20.256 5.200 -1.349 1.00 35.43 C ATOM 1992 O ILE A 126 -19.691 6.178 -0.856 1.00 31.24 O ATOM 1993 CB ILE A 126 -19.650 4.976 -3.807 1.00 42.04 C ATOM 1994 CG1 ILE A 126 -18.810 4.159 -4.817 1.00 61.25 C ATOM 1995 CG2 ILE A 126 -19.200 6.446 -3.894 1.00 74.41 C ATOM 1996 CD1 ILE A 126 -19.709 3.437 -5.805 1.00 3.41 C ATOM 0 H ILE A 126 -20.359 2.661 -3.300 1.00 4.20 H new ATOM 0 HA ILE A 126 -18.461 4.357 -2.128 1.00 60.44 H new ATOM 0 HB ILE A 126 -20.714 4.944 -4.042 1.00 42.04 H new ATOM 0 HG12 ILE A 126 -18.131 4.822 -5.353 1.00 61.25 H new ATOM 0 HG13 ILE A 126 -18.193 3.436 -4.283 1.00 61.25 H new ATOM 0 HG21 ILE A 126 -19.325 6.805 -4.916 1.00 74.41 H new ATOM 0 HG22 ILE A 126 -19.805 7.052 -3.220 1.00 74.41 H new ATOM 0 HG23 ILE A 126 -18.151 6.523 -3.608 1.00 74.41 H new ATOM 0 HD11 ILE A 126 -19.097 2.869 -6.506 1.00 3.41 H new ATOM 0 HD12 ILE A 126 -20.370 2.758 -5.267 1.00 3.41 H new ATOM 0 HD13 ILE A 126 -20.306 4.166 -6.353 1.00 3.41 H new ATOM 2008 N ASN A 127 -21.488 4.820 -0.987 1.00 11.45 N ATOM 2009 CA ASN A 127 -22.289 5.524 0.008 1.00 60.42 C ATOM 2010 C ASN A 127 -21.598 5.602 1.378 1.00 12.40 C ATOM 2011 O ASN A 127 -21.755 6.615 2.062 1.00 41.01 O ATOM 2012 CB ASN A 127 -23.698 4.904 0.117 1.00 43.45 C ATOM 2013 CG ASN A 127 -23.990 4.265 1.476 1.00 11.43 C ATOM 2014 OD1 ASN A 127 -24.478 4.938 2.378 1.00 34.52 O ATOM 2015 ND2 ASN A 127 -23.749 2.978 1.648 1.00 61.23 N ATOM 0 H ASN A 127 -21.957 4.006 -1.384 1.00 11.45 H new ATOM 0 HA ASN A 127 -22.395 6.552 -0.338 1.00 60.42 H new ATOM 0 HB2 ASN A 127 -24.441 5.678 -0.077 1.00 43.45 H new ATOM 0 HB3 ASN A 127 -23.813 4.149 -0.661 1.00 43.45 H new ATOM 0 HD21 ASN A 127 -23.969 2.533 2.539 1.00 61.23 H new ATOM 0 HD22 ASN A 127 -23.343 2.429 0.890 1.00 61.23 H new ATOM 2022 N GLU A 128 -20.808 4.598 1.766 1.00 24.24 N ATOM 2023 CA GLU A 128 -20.200 4.492 3.099 1.00 11.03 C ATOM 2024 C GLU A 128 -18.727 4.943 3.102 1.00 42.44 C ATOM 2025 O GLU A 128 -18.116 5.124 4.155 1.00 20.30 O ATOM 2026 CB GLU A 128 -20.469 3.085 3.663 1.00 3.45 C ATOM 2027 CG GLU A 128 -19.407 2.089 3.300 1.00 11.11 C ATOM 2028 CD GLU A 128 -19.603 0.740 3.995 1.00 4.31 C ATOM 2029 OE1 GLU A 128 -20.604 0.042 3.748 1.00 24.42 O ATOM 2030 OE2 GLU A 128 -18.712 0.345 4.779 1.00 33.12 O ATOM 0 H GLU A 128 -20.567 3.820 1.152 1.00 24.24 H new ATOM 0 HA GLU A 128 -20.670 5.194 3.788 1.00 11.03 H new ATOM 0 HB2 GLU A 128 -20.546 3.145 4.749 1.00 3.45 H new ATOM 0 HB3 GLU A 128 -21.432 2.731 3.294 1.00 3.45 H new ATOM 0 HG2 GLU A 128 -19.407 1.941 2.220 1.00 11.11 H new ATOM 0 HG3 GLU A 128 -18.430 2.492 3.566 1.00 11.11 H new ATOM 2037 N LEU A 129 -18.159 5.162 1.915 1.00 4.43 N ATOM 2038 CA LEU A 129 -16.730 5.287 1.671 1.00 22.43 C ATOM 2039 C LEU A 129 -16.118 6.455 2.421 1.00 2.50 C ATOM 2040 O LEU A 129 -15.050 6.322 3.013 1.00 11.20 O ATOM 2041 CB LEU A 129 -16.529 5.358 0.159 1.00 25.30 C ATOM 2042 CG LEU A 129 -15.067 5.127 -0.250 1.00 34.43 C ATOM 2043 CD1 LEU A 129 -15.056 4.722 -1.716 1.00 33.40 C ATOM 2044 CD2 LEU A 129 -14.216 6.380 -0.176 1.00 61.23 C ATOM 0 H LEU A 129 -18.711 5.261 1.063 1.00 4.43 H new ATOM 0 HA LEU A 129 -16.199 4.419 2.061 1.00 22.43 H new ATOM 0 HB2 LEU A 129 -17.160 4.612 -0.324 1.00 25.30 H new ATOM 0 HB3 LEU A 129 -16.855 6.333 -0.202 1.00 25.30 H new ATOM 0 HG LEU A 129 -14.663 4.379 0.433 1.00 34.43 H new ATOM 0 HD11 LEU A 129 -14.029 4.550 -2.038 1.00 33.40 H new ATOM 0 HD12 LEU A 129 -15.635 3.807 -1.845 1.00 33.40 H new ATOM 0 HD13 LEU A 129 -15.496 5.518 -2.317 1.00 33.40 H new ATOM 0 HD21 LEU A 129 -13.195 6.145 -0.478 1.00 61.23 H new ATOM 0 HD22 LEU A 129 -14.626 7.138 -0.843 1.00 61.23 H new ATOM 0 HD23 LEU A 129 -14.214 6.758 0.846 1.00 61.23 H new ATOM 2056 N GLU A 130 -16.763 7.611 2.392 1.00 20.11 N ATOM 2057 CA GLU A 130 -16.265 8.824 3.031 1.00 15.15 C ATOM 2058 C GLU A 130 -16.124 8.672 4.560 1.00 63.31 C ATOM 2059 O GLU A 130 -15.325 9.378 5.185 1.00 32.30 O ATOM 2060 CB GLU A 130 -17.188 9.981 2.641 1.00 71.44 C ATOM 2061 CG GLU A 130 -17.094 10.263 1.129 1.00 20.23 C ATOM 2062 CD GLU A 130 -18.138 11.251 0.603 1.00 13.43 C ATOM 2063 OE1 GLU A 130 -19.357 11.056 0.813 1.00 31.21 O ATOM 2064 OE2 GLU A 130 -17.766 12.120 -0.217 1.00 12.04 O ATOM 0 H GLU A 130 -17.658 7.737 1.919 1.00 20.11 H new ATOM 0 HA GLU A 130 -15.255 9.030 2.678 1.00 15.15 H new ATOM 0 HB2 GLU A 130 -18.217 9.739 2.908 1.00 71.44 H new ATOM 0 HB3 GLU A 130 -16.915 10.876 3.201 1.00 71.44 H new ATOM 0 HG2 GLU A 130 -16.100 10.650 0.905 1.00 20.23 H new ATOM 0 HG3 GLU A 130 -17.198 9.322 0.589 1.00 20.23 H new ATOM 2071 N GLU A 131 -16.823 7.717 5.176 1.00 61.12 N ATOM 2072 CA GLU A 131 -16.574 7.301 6.553 1.00 62.33 C ATOM 2073 C GLU A 131 -15.383 6.340 6.638 1.00 62.13 C ATOM 2074 O GLU A 131 -14.587 6.432 7.568 1.00 12.01 O ATOM 2075 CB GLU A 131 -17.845 6.656 7.128 1.00 13.40 C ATOM 2076 CG GLU A 131 -17.649 6.297 8.604 1.00 32.21 C ATOM 2077 CD GLU A 131 -18.970 5.958 9.287 1.00 65.11 C ATOM 2078 OE1 GLU A 131 -19.420 4.792 9.222 1.00 33.42 O ATOM 2079 OE2 GLU A 131 -19.582 6.880 9.880 1.00 72.52 O ATOM 0 H GLU A 131 -17.584 7.207 4.727 1.00 61.12 H new ATOM 0 HA GLU A 131 -16.320 8.180 7.146 1.00 62.33 H new ATOM 0 HB2 GLU A 131 -18.686 7.342 7.024 1.00 13.40 H new ATOM 0 HB3 GLU A 131 -18.093 5.759 6.560 1.00 13.40 H new ATOM 0 HG2 GLU A 131 -16.970 5.448 8.684 1.00 32.21 H new ATOM 0 HG3 GLU A 131 -17.177 7.132 9.121 1.00 32.21 H new ATOM 2086 N THR A 132 -15.193 5.447 5.668 1.00 12.25 N ATOM 2087 CA THR A 132 -14.046 4.546 5.663 1.00 33.43 C ATOM 2088 C THR A 132 -12.745 5.334 5.545 1.00 72.42 C ATOM 2089 O THR A 132 -11.747 5.023 6.195 1.00 60.34 O ATOM 2090 CB THR A 132 -14.174 3.550 4.508 1.00 11.22 C ATOM 2091 OG1 THR A 132 -15.489 3.036 4.435 1.00 14.31 O ATOM 2092 CG2 THR A 132 -13.139 2.443 4.691 1.00 11.45 C ATOM 0 H THR A 132 -15.822 5.329 4.874 1.00 12.25 H new ATOM 0 HA THR A 132 -14.026 3.997 6.604 1.00 33.43 H new ATOM 0 HB THR A 132 -13.980 4.054 3.561 1.00 11.22 H new ATOM 0 HG1 THR A 132 -15.465 2.127 4.071 1.00 14.31 H new ATOM 0 HG21 THR A 132 -13.222 1.728 3.873 1.00 11.45 H new ATOM 0 HG22 THR A 132 -12.139 2.877 4.694 1.00 11.45 H new ATOM 0 HG23 THR A 132 -13.316 1.933 5.638 1.00 11.45 H new ATOM 2100 N ILE A 133 -12.765 6.391 4.731 1.00 15.04 N ATOM 2101 CA ILE A 133 -11.642 7.296 4.610 1.00 72.32 C ATOM 2102 C ILE A 133 -11.288 7.824 5.997 1.00 71.41 C ATOM 2103 O ILE A 133 -10.120 7.846 6.370 1.00 14.31 O ATOM 2104 CB ILE A 133 -11.940 8.434 3.608 1.00 3.23 C ATOM 2105 CG1 ILE A 133 -11.998 7.896 2.169 1.00 53.04 C ATOM 2106 CG2 ILE A 133 -10.803 9.448 3.714 1.00 0.33 C ATOM 2107 CD1 ILE A 133 -12.442 8.927 1.116 1.00 2.13 C ATOM 0 H ILE A 133 -13.562 6.635 4.143 1.00 15.04 H new ATOM 0 HA ILE A 133 -10.781 6.762 4.208 1.00 72.32 H new ATOM 0 HB ILE A 133 -12.904 8.886 3.842 1.00 3.23 H new ATOM 0 HG12 ILE A 133 -11.012 7.519 1.896 1.00 53.04 H new ATOM 0 HG13 ILE A 133 -12.683 7.048 2.139 1.00 53.04 H new ATOM 0 HG21 ILE A 133 -10.981 10.268 3.018 1.00 0.33 H new ATOM 0 HG22 ILE A 133 -10.757 9.838 4.731 1.00 0.33 H new ATOM 0 HG23 ILE A 133 -9.858 8.962 3.469 1.00 0.33 H new ATOM 0 HD11 ILE A 133 -12.454 8.460 0.131 1.00 2.13 H new ATOM 0 HD12 ILE A 133 -13.442 9.287 1.358 1.00 2.13 H new ATOM 0 HD13 ILE A 133 -11.745 9.765 1.111 1.00 2.13 H new ATOM 2119 N GLN A 134 -12.274 8.318 6.735 1.00 33.53 N ATOM 2120 CA GLN A 134 -11.987 9.026 7.966 1.00 51.03 C ATOM 2121 C GLN A 134 -11.473 8.051 9.035 1.00 61.14 C ATOM 2122 O GLN A 134 -10.550 8.372 9.778 1.00 22.22 O ATOM 2123 CB GLN A 134 -13.191 9.910 8.296 1.00 24.42 C ATOM 2124 CG GLN A 134 -14.183 9.299 9.248 1.00 63.44 C ATOM 2125 CD GLN A 134 -13.932 9.642 10.716 1.00 2.35 C ATOM 2126 OE1 GLN A 134 -12.892 10.175 11.102 1.00 22.23 O ATOM 2127 NE2 GLN A 134 -14.892 9.356 11.570 1.00 0.40 N ATOM 0 H GLN A 134 -13.264 8.241 6.503 1.00 33.53 H new ATOM 0 HA GLN A 134 -11.154 9.725 7.886 1.00 51.03 H new ATOM 0 HB2 GLN A 134 -12.830 10.846 8.722 1.00 24.42 H new ATOM 0 HB3 GLN A 134 -13.706 10.159 7.368 1.00 24.42 H new ATOM 0 HG2 GLN A 134 -15.185 9.631 8.975 1.00 63.44 H new ATOM 0 HG3 GLN A 134 -14.163 8.216 9.131 1.00 63.44 H new ATOM 0 HE21 GLN A 134 -15.751 8.914 11.242 1.00 0.40 H new ATOM 0 HE22 GLN A 134 -14.777 9.576 12.559 1.00 0.40 H new ATOM 2136 N ALA A 135 -11.992 6.824 9.025 1.00 1.22 N ATOM 2137 CA ALA A 135 -11.583 5.753 9.914 1.00 23.33 C ATOM 2138 C ALA A 135 -10.119 5.364 9.706 1.00 20.24 C ATOM 2139 O ALA A 135 -9.395 5.199 10.685 1.00 13.35 O ATOM 2140 CB ALA A 135 -12.495 4.552 9.703 1.00 43.24 C ATOM 0 H ALA A 135 -12.729 6.546 8.377 1.00 1.22 H new ATOM 0 HA ALA A 135 -11.672 6.106 10.941 1.00 23.33 H new ATOM 0 HB1 ALA A 135 -12.192 3.744 10.369 1.00 43.24 H new ATOM 0 HB2 ALA A 135 -13.525 4.835 9.921 1.00 43.24 H new ATOM 0 HB3 ALA A 135 -12.422 4.217 8.668 1.00 43.24 H new ATOM 2146 N VAL A 136 -9.640 5.252 8.464 1.00 63.52 N ATOM 2147 CA VAL A 136 -8.220 4.955 8.255 1.00 75.44 C ATOM 2148 C VAL A 136 -7.346 6.095 8.783 1.00 63.21 C ATOM 2149 O VAL A 136 -6.216 5.880 9.225 1.00 34.32 O ATOM 2150 CB VAL A 136 -7.954 4.573 6.795 1.00 62.22 C ATOM 2151 CG1 VAL A 136 -8.178 5.633 5.722 1.00 3.50 C ATOM 2152 CG2 VAL A 136 -6.537 4.035 6.640 1.00 75.44 C ATOM 0 H VAL A 136 -10.193 5.358 7.613 1.00 63.52 H new ATOM 0 HA VAL A 136 -7.939 4.079 8.839 1.00 75.44 H new ATOM 0 HB VAL A 136 -8.725 3.825 6.609 1.00 62.22 H new ATOM 0 HG11 VAL A 136 -7.948 5.213 4.743 1.00 3.50 H new ATOM 0 HG12 VAL A 136 -9.218 5.958 5.743 1.00 3.50 H new ATOM 0 HG13 VAL A 136 -7.528 6.487 5.912 1.00 3.50 H new ATOM 0 HG21 VAL A 136 -6.361 3.767 5.598 1.00 75.44 H new ATOM 0 HG22 VAL A 136 -5.822 4.800 6.944 1.00 75.44 H new ATOM 0 HG23 VAL A 136 -6.412 3.152 7.267 1.00 75.44 H new ATOM 2162 N GLN A 137 -7.868 7.322 8.770 1.00 44.21 N ATOM 2163 CA GLN A 137 -7.141 8.481 9.244 1.00 4.42 C ATOM 2164 C GLN A 137 -7.083 8.472 10.783 1.00 34.51 C ATOM 2165 O GLN A 137 -6.129 9.023 11.321 1.00 51.24 O ATOM 2166 CB GLN A 137 -7.732 9.770 8.639 1.00 72.22 C ATOM 2167 CG GLN A 137 -7.875 9.722 7.095 1.00 1.31 C ATOM 2168 CD GLN A 137 -6.869 10.588 6.344 1.00 51.54 C ATOM 2169 OE1 GLN A 137 -6.933 11.815 6.375 1.00 11.23 O ATOM 2170 NE2 GLN A 137 -5.925 9.991 5.629 1.00 21.22 N ATOM 0 H GLN A 137 -8.806 7.531 8.429 1.00 44.21 H new ATOM 0 HA GLN A 137 -6.106 8.445 8.903 1.00 4.42 H new ATOM 0 HB2 GLN A 137 -8.712 9.953 9.081 1.00 72.22 H new ATOM 0 HB3 GLN A 137 -7.097 10.613 8.911 1.00 72.22 H new ATOM 0 HG2 GLN A 137 -7.766 8.689 6.764 1.00 1.31 H new ATOM 0 HG3 GLN A 137 -8.882 10.039 6.825 1.00 1.31 H new ATOM 0 HE21 GLN A 137 -5.872 8.973 5.603 1.00 21.22 H new ATOM 0 HE22 GLN A 137 -5.252 10.550 5.105 1.00 21.22 H new ATOM 2179 N GLU A 138 -8.003 7.798 11.492 1.00 0.02 N ATOM 2180 CA GLU A 138 -7.894 7.548 12.930 1.00 34.42 C ATOM 2181 C GLU A 138 -6.625 6.732 13.201 1.00 1.15 C ATOM 2182 O GLU A 138 -5.710 7.195 13.889 1.00 24.10 O ATOM 2183 CB GLU A 138 -9.117 6.792 13.486 1.00 1.23 C ATOM 2184 CG GLU A 138 -10.436 7.577 13.481 1.00 43.14 C ATOM 2185 CD GLU A 138 -11.552 6.852 14.251 1.00 41.24 C ATOM 2186 OE1 GLU A 138 -11.423 6.705 15.494 1.00 12.03 O ATOM 2187 OE2 GLU A 138 -12.592 6.492 13.645 1.00 71.41 O ATOM 0 H GLU A 138 -8.849 7.410 11.075 1.00 0.02 H new ATOM 0 HA GLU A 138 -7.849 8.513 13.434 1.00 34.42 H new ATOM 0 HB2 GLU A 138 -9.254 5.881 12.904 1.00 1.23 H new ATOM 0 HB3 GLU A 138 -8.900 6.487 14.510 1.00 1.23 H new ATOM 0 HG2 GLU A 138 -10.272 8.560 13.923 1.00 43.14 H new ATOM 0 HG3 GLU A 138 -10.755 7.740 12.452 1.00 43.14 H new ATOM 2194 N GLU A 139 -6.573 5.520 12.643 1.00 32.23 N ATOM 2195 CA GLU A 139 -5.454 4.580 12.781 1.00 71.33 C ATOM 2196 C GLU A 139 -4.126 5.235 12.373 1.00 44.01 C ATOM 2197 O GLU A 139 -3.093 5.067 13.033 1.00 41.12 O ATOM 2198 CB GLU A 139 -5.689 3.310 11.934 1.00 55.31 C ATOM 2199 CG GLU A 139 -6.962 2.540 12.323 1.00 4.15 C ATOM 2200 CD GLU A 139 -6.985 1.052 11.928 1.00 41.34 C ATOM 2201 OE1 GLU A 139 -6.044 0.549 11.275 1.00 13.45 O ATOM 2202 OE2 GLU A 139 -7.959 0.341 12.284 1.00 41.42 O ATOM 0 H GLU A 139 -7.330 5.153 12.066 1.00 32.23 H new ATOM 0 HA GLU A 139 -5.396 4.297 13.832 1.00 71.33 H new ATOM 0 HB2 GLU A 139 -5.751 3.590 10.883 1.00 55.31 H new ATOM 0 HB3 GLU A 139 -4.828 2.649 12.038 1.00 55.31 H new ATOM 0 HG2 GLU A 139 -7.094 2.613 13.403 1.00 4.15 H new ATOM 0 HG3 GLU A 139 -7.818 3.033 11.863 1.00 4.15 H new ATOM 2209 N ASN A 140 -4.158 6.022 11.293 1.00 24.13 N ATOM 2210 CA ASN A 140 -2.992 6.745 10.790 1.00 60.14 C ATOM 2211 C ASN A 140 -2.426 7.698 11.834 1.00 15.22 C ATOM 2212 O ASN A 140 -1.208 7.769 11.954 1.00 24.14 O ATOM 2213 CB ASN A 140 -3.294 7.555 9.524 1.00 63.44 C ATOM 2214 CG ASN A 140 -3.457 6.748 8.247 1.00 33.44 C ATOM 2215 OD1 ASN A 140 -3.046 5.598 8.142 1.00 23.51 O ATOM 2216 ND2 ASN A 140 -4.013 7.370 7.220 1.00 13.32 N ATOM 0 H ASN A 140 -5.002 6.175 10.741 1.00 24.13 H new ATOM 0 HA ASN A 140 -2.262 5.972 10.551 1.00 60.14 H new ATOM 0 HB2 ASN A 140 -4.208 8.126 9.690 1.00 63.44 H new ATOM 0 HB3 ASN A 140 -2.490 8.276 9.376 1.00 63.44 H new ATOM 0 HD21 ASN A 140 -4.105 6.892 6.323 1.00 13.32 H new ATOM 0 HD22 ASN A 140 -4.350 8.327 7.325 1.00 13.32 H new ATOM 2223 N LYS A 141 -3.255 8.434 12.585 1.00 4.13 N ATOM 2224 CA LYS A 141 -2.752 9.359 13.611 1.00 32.11 C ATOM 2225 C LYS A 141 -1.990 8.583 14.670 1.00 62.14 C ATOM 2226 O LYS A 141 -0.880 8.962 15.040 1.00 60.23 O ATOM 2227 CB LYS A 141 -3.901 10.107 14.292 1.00 0.04 C ATOM 2228 CG LYS A 141 -4.639 11.052 13.345 1.00 73.52 C ATOM 2229 CD LYS A 141 -6.076 11.304 13.800 1.00 24.11 C ATOM 2230 CE LYS A 141 -6.061 12.381 14.886 1.00 63.22 C ATOM 2231 NZ LYS A 141 -7.396 12.621 15.458 1.00 40.21 N ATOM 0 H LYS A 141 -4.271 8.408 12.503 1.00 4.13 H new ATOM 0 HA LYS A 141 -2.099 10.080 13.119 1.00 32.11 H new ATOM 0 HB2 LYS A 141 -4.608 9.384 14.699 1.00 0.04 H new ATOM 0 HB3 LYS A 141 -3.508 10.678 15.134 1.00 0.04 H new ATOM 0 HG2 LYS A 141 -4.104 12.000 13.288 1.00 73.52 H new ATOM 0 HG3 LYS A 141 -4.645 10.629 12.341 1.00 73.52 H new ATOM 0 HD2 LYS A 141 -6.689 11.624 12.958 1.00 24.11 H new ATOM 0 HD3 LYS A 141 -6.518 10.385 14.185 1.00 24.11 H new ATOM 0 HE2 LYS A 141 -5.377 12.082 15.680 1.00 63.22 H new ATOM 0 HE3 LYS A 141 -5.676 13.311 14.467 1.00 63.22 H new ATOM 0 HZ1 LYS A 141 -7.333 13.358 16.189 1.00 40.21 H new ATOM 0 HZ2 LYS A 141 -8.045 12.932 14.707 1.00 40.21 H new ATOM 0 HZ3 LYS A 141 -7.755 11.742 15.883 1.00 40.21 H new ATOM 2245 N ALA A 142 -2.594 7.490 15.138 1.00 0.52 N ATOM 2246 CA ALA A 142 -2.008 6.633 16.160 1.00 41.51 C ATOM 2247 C ALA A 142 -0.668 6.046 15.704 1.00 51.04 C ATOM 2248 O ALA A 142 0.180 5.748 16.542 1.00 13.22 O ATOM 2249 CB ALA A 142 -2.996 5.524 16.533 1.00 52.04 C ATOM 0 H ALA A 142 -3.509 7.176 14.814 1.00 0.52 H new ATOM 0 HA ALA A 142 -1.806 7.239 17.043 1.00 41.51 H new ATOM 0 HB1 ALA A 142 -2.554 4.885 17.298 1.00 52.04 H new ATOM 0 HB2 ALA A 142 -3.914 5.969 16.918 1.00 52.04 H new ATOM 0 HB3 ALA A 142 -3.224 4.928 15.650 1.00 52.04 H new ATOM 2255 N PHE A 143 -0.467 5.872 14.396 1.00 1.01 N ATOM 2256 CA PHE A 143 0.809 5.487 13.814 1.00 62.12 C ATOM 2257 C PHE A 143 1.739 6.704 13.806 1.00 2.02 C ATOM 2258 O PHE A 143 2.773 6.697 14.472 1.00 44.13 O ATOM 2259 CB PHE A 143 0.544 4.912 12.412 1.00 51.11 C ATOM 2260 CG PHE A 143 1.748 4.390 11.644 1.00 5.22 C ATOM 2261 CD1 PHE A 143 2.622 5.279 10.989 1.00 1.00 C ATOM 2262 CD2 PHE A 143 1.953 3.006 11.504 1.00 22.12 C ATOM 2263 CE1 PHE A 143 3.688 4.797 10.208 1.00 71.44 C ATOM 2264 CE2 PHE A 143 3.013 2.523 10.719 1.00 64.45 C ATOM 2265 CZ PHE A 143 3.882 3.413 10.066 1.00 53.02 C ATOM 0 H PHE A 143 -1.205 5.999 13.703 1.00 1.01 H new ATOM 0 HA PHE A 143 1.308 4.713 14.397 1.00 62.12 H new ATOM 0 HB2 PHE A 143 -0.175 4.099 12.509 1.00 51.11 H new ATOM 0 HB3 PHE A 143 0.069 5.688 11.811 1.00 51.11 H new ATOM 0 HD1 PHE A 143 2.472 6.344 11.088 1.00 1.00 H new ATOM 0 HD2 PHE A 143 1.293 2.311 12.002 1.00 22.12 H new ATOM 0 HE1 PHE A 143 4.356 5.490 9.718 1.00 71.44 H new ATOM 0 HE2 PHE A 143 3.161 1.458 10.617 1.00 64.45 H new ATOM 0 HZ PHE A 143 4.693 3.036 9.460 1.00 53.02 H new ATOM 2275 N GLU A 144 1.407 7.764 13.059 1.00 15.34 N ATOM 2276 CA GLU A 144 2.370 8.821 12.751 1.00 71.21 C ATOM 2277 C GLU A 144 2.826 9.625 13.970 1.00 42.33 C ATOM 2278 O GLU A 144 3.940 10.148 13.971 1.00 42.42 O ATOM 2279 CB GLU A 144 1.900 9.753 11.634 1.00 1.00 C ATOM 2280 CG GLU A 144 0.622 10.519 11.943 1.00 52.41 C ATOM 2281 CD GLU A 144 0.737 12.005 11.594 1.00 55.21 C ATOM 2282 OE1 GLU A 144 1.113 12.333 10.440 1.00 3.10 O ATOM 2283 OE2 GLU A 144 0.429 12.870 12.446 1.00 1.00 O ATOM 0 H GLU A 144 0.480 7.910 12.659 1.00 15.34 H new ATOM 0 HA GLU A 144 3.245 8.281 12.389 1.00 71.21 H new ATOM 0 HB2 GLU A 144 2.693 10.468 11.418 1.00 1.00 H new ATOM 0 HB3 GLU A 144 1.746 9.165 10.729 1.00 1.00 H new ATOM 0 HG2 GLU A 144 -0.206 10.080 11.386 1.00 52.41 H new ATOM 0 HG3 GLU A 144 0.385 10.414 13.002 1.00 52.41 H new ATOM 2290 N GLU A 145 2.018 9.686 15.026 1.00 13.04 N ATOM 2291 CA GLU A 145 2.381 10.348 16.271 1.00 22.21 C ATOM 2292 C GLU A 145 3.594 9.689 16.967 1.00 72.34 C ATOM 2293 O GLU A 145 4.293 10.306 17.781 1.00 54.54 O ATOM 2294 CB GLU A 145 1.123 10.374 17.146 1.00 12.41 C ATOM 2295 CG GLU A 145 1.339 11.191 18.419 1.00 11.42 C ATOM 2296 CD GLU A 145 0.034 11.804 18.945 1.00 43.33 C ATOM 2297 OE1 GLU A 145 -0.428 12.853 18.436 1.00 51.25 O ATOM 2298 OE2 GLU A 145 -0.547 11.256 19.907 1.00 4.00 O ATOM 0 H GLU A 145 1.085 9.273 15.039 1.00 13.04 H new ATOM 0 HA GLU A 145 2.717 11.366 16.075 1.00 22.21 H new ATOM 0 HB2 GLU A 145 0.293 10.796 16.579 1.00 12.41 H new ATOM 0 HB3 GLU A 145 0.842 9.355 17.411 1.00 12.41 H new ATOM 0 HG2 GLU A 145 1.774 10.553 19.188 1.00 11.42 H new ATOM 0 HG3 GLU A 145 2.057 11.986 18.220 1.00 11.42 H new ATOM 2305 N LEU A 146 3.839 8.425 16.625 1.00 0.00 N ATOM 2306 CA LEU A 146 4.767 7.491 17.268 1.00 74.13 C ATOM 2307 C LEU A 146 5.759 6.853 16.287 1.00 64.22 C ATOM 2308 O LEU A 146 6.630 6.084 16.699 1.00 0.20 O ATOM 2309 CB LEU A 146 3.944 6.404 17.935 1.00 23.51 C ATOM 2310 CG LEU A 146 3.031 6.945 19.044 1.00 42.12 C ATOM 2311 CD1 LEU A 146 2.215 5.757 19.494 1.00 44.41 C ATOM 2312 CD2 LEU A 146 3.806 7.567 20.213 1.00 44.02 C ATOM 0 H LEU A 146 3.360 7.994 15.834 1.00 0.00 H new ATOM 0 HA LEU A 146 5.364 8.049 17.989 1.00 74.13 H new ATOM 0 HB2 LEU A 146 3.336 5.902 17.183 1.00 23.51 H new ATOM 0 HB3 LEU A 146 4.614 5.654 18.356 1.00 23.51 H new ATOM 0 HG LEU A 146 2.410 7.759 18.670 1.00 42.12 H new ATOM 0 HD11 LEU A 146 1.535 6.063 20.289 1.00 44.41 H new ATOM 0 HD12 LEU A 146 1.640 5.371 18.653 1.00 44.41 H new ATOM 0 HD13 LEU A 146 2.881 4.978 19.866 1.00 44.41 H new ATOM 0 HD21 LEU A 146 3.103 7.930 20.963 1.00 44.02 H new ATOM 0 HD22 LEU A 146 4.457 6.815 20.659 1.00 44.02 H new ATOM 0 HD23 LEU A 146 4.409 8.398 19.848 1.00 44.02 H new ATOM 2324 N HIS A 147 5.638 7.179 15.002 1.00 53.31 N ATOM 2325 CA HIS A 147 6.541 6.780 13.912 1.00 53.42 C ATOM 2326 C HIS A 147 7.274 8.003 13.312 1.00 75.23 C ATOM 2327 O HIS A 147 6.928 8.443 12.209 1.00 54.05 O ATOM 2328 CB HIS A 147 5.797 5.926 12.859 1.00 0.41 C ATOM 2329 CG HIS A 147 5.474 4.516 13.311 1.00 5.24 C ATOM 2330 ND1 HIS A 147 5.891 3.337 12.715 1.00 73.31 N ATOM 2331 CD2 HIS A 147 4.724 4.173 14.404 1.00 21.11 C ATOM 2332 CE1 HIS A 147 5.407 2.319 13.450 1.00 33.10 C ATOM 2333 NE2 HIS A 147 4.734 2.783 14.515 1.00 22.13 N ATOM 0 H HIS A 147 4.868 7.760 14.670 1.00 53.31 H new ATOM 0 HA HIS A 147 7.321 6.140 14.323 1.00 53.42 H new ATOM 0 HB2 HIS A 147 4.869 6.430 12.590 1.00 0.41 H new ATOM 0 HB3 HIS A 147 6.405 5.875 11.956 1.00 0.41 H new ATOM 0 HD1 HIS A 147 6.461 3.255 11.873 1.00 73.31 H new ATOM 0 HD2 HIS A 147 4.214 4.859 15.064 1.00 21.11 H new ATOM 0 HE1 HIS A 147 5.541 1.273 13.216 1.00 33.10 H new ATOM 2341 N PRO A 148 8.223 8.622 14.040 1.00 72.21 N ATOM 2342 CA PRO A 148 8.960 9.806 13.618 1.00 23.52 C ATOM 2343 C PRO A 148 10.113 9.506 12.669 1.00 2.34 C ATOM 2344 O PRO A 148 10.696 10.484 12.157 1.00 3.01 O ATOM 2345 CB PRO A 148 9.488 10.410 14.923 1.00 3.11 C ATOM 2346 CG PRO A 148 9.788 9.170 15.763 1.00 34.31 C ATOM 2347 CD PRO A 148 8.600 8.285 15.402 1.00 33.10 C ATOM 0 HA PRO A 148 8.311 10.476 13.054 1.00 23.52 H new ATOM 0 HB2 PRO A 148 10.380 11.015 14.759 1.00 3.11 H new ATOM 0 HB3 PRO A 148 8.750 11.054 15.400 1.00 3.11 H new ATOM 0 HG2 PRO A 148 10.741 8.712 15.497 1.00 34.31 H new ATOM 0 HG3 PRO A 148 9.828 9.393 16.829 1.00 34.31 H new ATOM 0 HD2 PRO A 148 8.866 7.231 15.480 1.00 33.10 H new ATOM 0 HD3 PRO A 148 7.769 8.456 16.086 1.00 33.10 H new