USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 461 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 32 GLN :FLIP amide:sc= -0.381 F(o=-1.2,f=-0.38) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 GLN : amide:sc= 0.296 K(o=0.43,f=-2.6!) USER MOD Set 2.2: A 55 GLN : amide:sc= 0.135 X(o=0.43,f=0.088) USER MOD Set 3.1: A 6 ASN : amide:sc= 0.917 K(o=2.7,f=0.96) USER MOD Set 3.2: A 9 GLN : amide:sc= 1.76 K(o=2.7,f=-5.4!) USER MOD Single : A 1 SER N :NH3+ -140:sc= 0.0985 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0509 USER MOD Single : A 3 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.15) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.02) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.921 K(o=0.92,f=-0.074) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.447 USER MOD Single : A 28 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.14) USER MOD Single : A 33 SER OG : rot 86:sc= 1.16 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 141:sc= 1.2 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 0.423 (180deg=0.363) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0.636 K(o=0.64,f=-4.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 39.243 35.878 40.002 1.00 0.00 N ATOM 2 CA SER A 1 37.821 35.537 40.141 1.00 0.00 C ATOM 3 C SER A 1 37.403 35.449 41.595 1.00 0.00 C ATOM 4 O SER A 1 38.125 34.909 42.434 1.00 0.00 O ATOM 5 CB SER A 1 37.493 34.226 39.431 1.00 0.00 C ATOM 6 OG SER A 1 38.467 33.255 39.755 1.00 0.00 O ATOM 0 H1 SER A 1 39.364 36.549 39.216 1.00 0.00 H new ATOM 0 H2 SER A 1 39.584 36.312 40.883 1.00 0.00 H new ATOM 0 H3 SER A 1 39.790 35.015 39.808 1.00 0.00 H new ATOM 0 HA SER A 1 37.259 36.343 39.670 1.00 0.00 H new ATOM 0 HB2 SER A 1 36.504 33.877 39.728 1.00 0.00 H new ATOM 0 HB3 SER A 1 37.465 34.382 38.353 1.00 0.00 H new ATOM 0 HG SER A 1 38.254 32.414 39.300 1.00 0.00 H new ATOM 14 N ASP A 2 36.208 35.952 41.895 1.00 0.00 N ATOM 15 CA ASP A 2 35.549 35.812 43.194 1.00 0.00 C ATOM 16 C ASP A 2 35.306 34.354 43.636 1.00 0.00 C ATOM 17 O ASP A 2 34.760 33.549 42.877 1.00 0.00 O ATOM 18 CB ASP A 2 34.262 36.665 43.221 1.00 0.00 C ATOM 19 CG ASP A 2 34.499 38.178 43.346 1.00 0.00 C ATOM 20 OD1 ASP A 2 35.533 38.623 43.897 1.00 0.00 O ATOM 21 OD2 ASP A 2 33.633 38.968 42.898 1.00 0.00 O ATOM 0 H ASP A 2 35.655 36.484 41.223 1.00 0.00 H new ATOM 0 HA ASP A 2 36.243 36.193 43.943 1.00 0.00 H new ATOM 0 HB2 ASP A 2 33.696 36.473 42.309 1.00 0.00 H new ATOM 0 HB3 ASP A 2 33.642 36.338 44.056 1.00 0.00 H new ATOM 26 N ASN A 3 35.687 34.001 44.871 1.00 0.00 N ATOM 27 CA ASN A 3 35.414 32.677 45.454 1.00 0.00 C ATOM 28 C ASN A 3 33.909 32.497 45.753 1.00 0.00 C ATOM 29 O ASN A 3 33.405 31.368 45.767 1.00 0.00 O ATOM 30 CB ASN A 3 36.268 32.495 46.734 1.00 0.00 C ATOM 31 CG ASN A 3 35.636 33.047 48.008 1.00 0.00 C ATOM 32 OD1 ASN A 3 34.838 32.390 48.667 1.00 0.00 O ATOM 33 ND2 ASN A 3 35.966 34.255 48.392 1.00 0.00 N ATOM 0 H ASN A 3 36.195 34.626 45.497 1.00 0.00 H new ATOM 0 HA ASN A 3 35.689 31.907 44.733 1.00 0.00 H new ATOM 0 HB2 ASN A 3 36.466 31.432 46.874 1.00 0.00 H new ATOM 0 HB3 ASN A 3 37.232 32.981 46.583 1.00 0.00 H new ATOM 0 HD21 ASN A 3 35.559 34.650 49.240 1.00 0.00 H new ATOM 0 HD22 ASN A 3 36.630 34.801 47.843 1.00 0.00 H new ATOM 40 N LYS A 4 33.226 33.616 46.031 1.00 0.00 N ATOM 41 CA LYS A 4 31.886 33.697 46.614 1.00 0.00 C ATOM 42 C LYS A 4 30.772 33.295 45.647 1.00 0.00 C ATOM 43 O LYS A 4 30.681 33.816 44.530 1.00 0.00 O ATOM 44 CB LYS A 4 31.701 35.131 47.147 1.00 0.00 C ATOM 45 CG LYS A 4 30.358 35.367 47.851 1.00 0.00 C ATOM 46 CD LYS A 4 30.272 36.799 48.400 1.00 0.00 C ATOM 47 CE LYS A 4 28.931 37.082 49.091 1.00 0.00 C ATOM 48 NZ LYS A 4 28.750 36.271 50.317 1.00 0.00 N ATOM 0 H LYS A 4 33.618 34.539 45.843 1.00 0.00 H new ATOM 0 HA LYS A 4 31.807 32.972 47.424 1.00 0.00 H new ATOM 0 HB2 LYS A 4 32.509 35.356 47.843 1.00 0.00 H new ATOM 0 HB3 LYS A 4 31.792 35.831 46.316 1.00 0.00 H new ATOM 0 HG2 LYS A 4 29.540 35.191 47.152 1.00 0.00 H new ATOM 0 HG3 LYS A 4 30.239 34.653 48.666 1.00 0.00 H new ATOM 0 HD2 LYS A 4 31.084 36.963 49.108 1.00 0.00 H new ATOM 0 HD3 LYS A 4 30.413 37.507 47.584 1.00 0.00 H new ATOM 0 HE2 LYS A 4 28.872 38.140 49.346 1.00 0.00 H new ATOM 0 HE3 LYS A 4 28.116 36.875 48.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 27.871 36.556 50.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 28.695 35.264 50.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 29.557 36.423 50.956 1.00 0.00 H new ATOM 62 N PHE A 5 29.864 32.448 46.131 1.00 0.00 N ATOM 63 CA PHE A 5 28.531 32.255 45.561 1.00 0.00 C ATOM 64 C PHE A 5 27.421 33.081 46.218 1.00 0.00 C ATOM 65 O PHE A 5 27.471 33.354 47.417 1.00 0.00 O ATOM 66 CB PHE A 5 28.172 30.768 45.454 1.00 0.00 C ATOM 67 CG PHE A 5 28.942 30.004 44.396 1.00 0.00 C ATOM 68 CD1 PHE A 5 28.940 30.431 43.052 1.00 0.00 C ATOM 69 CD2 PHE A 5 29.681 28.866 44.764 1.00 0.00 C ATOM 70 CE1 PHE A 5 29.695 29.737 42.089 1.00 0.00 C ATOM 71 CE2 PHE A 5 30.439 28.176 43.803 1.00 0.00 C ATOM 72 CZ PHE A 5 30.451 28.613 42.466 1.00 0.00 C ATOM 0 H PHE A 5 30.039 31.864 46.949 1.00 0.00 H new ATOM 0 HA PHE A 5 28.595 32.658 44.550 1.00 0.00 H new ATOM 0 HB2 PHE A 5 28.345 30.296 46.421 1.00 0.00 H new ATOM 0 HB3 PHE A 5 27.106 30.680 45.243 1.00 0.00 H new ATOM 0 HD1 PHE A 5 28.358 31.293 42.761 1.00 0.00 H new ATOM 0 HD2 PHE A 5 29.666 28.521 45.787 1.00 0.00 H new ATOM 0 HE1 PHE A 5 29.694 30.067 41.061 1.00 0.00 H new ATOM 0 HE2 PHE A 5 31.014 27.308 44.091 1.00 0.00 H new ATOM 0 HZ PHE A 5 31.040 28.086 41.730 1.00 0.00 H new ATOM 82 N ASN A 6 26.407 33.452 45.444 1.00 0.00 N ATOM 83 CA ASN A 6 25.181 34.084 45.939 1.00 0.00 C ATOM 84 C ASN A 6 24.160 33.006 46.354 1.00 0.00 C ATOM 85 O ASN A 6 24.303 31.852 45.939 1.00 0.00 O ATOM 86 CB ASN A 6 24.676 35.070 44.871 1.00 0.00 C ATOM 87 CG ASN A 6 25.626 36.245 44.698 1.00 0.00 C ATOM 88 OD1 ASN A 6 25.535 37.249 45.384 1.00 0.00 O ATOM 89 ND2 ASN A 6 26.541 36.192 43.758 1.00 0.00 N ATOM 0 H ASN A 6 26.411 33.321 44.433 1.00 0.00 H new ATOM 0 HA ASN A 6 25.363 34.665 46.843 1.00 0.00 H new ATOM 0 HB2 ASN A 6 24.563 34.550 43.920 1.00 0.00 H new ATOM 0 HB3 ASN A 6 23.689 35.438 45.152 1.00 0.00 H new ATOM 0 HD21 ASN A 6 27.165 36.985 43.609 1.00 0.00 H new ATOM 0 HD22 ASN A 6 26.628 35.358 43.177 1.00 0.00 H new ATOM 96 N LYS A 7 23.140 33.332 47.161 1.00 0.00 N ATOM 97 CA LYS A 7 22.280 32.324 47.825 1.00 0.00 C ATOM 98 C LYS A 7 21.591 31.329 46.888 1.00 0.00 C ATOM 99 O LYS A 7 21.469 30.158 47.248 1.00 0.00 O ATOM 100 CB LYS A 7 21.237 32.995 48.738 1.00 0.00 C ATOM 101 CG LYS A 7 21.800 33.782 49.934 1.00 0.00 C ATOM 102 CD LYS A 7 22.965 33.081 50.655 1.00 0.00 C ATOM 103 CE LYS A 7 23.205 33.599 52.077 1.00 0.00 C ATOM 104 NZ LYS A 7 22.221 33.046 53.035 1.00 0.00 N ATOM 0 H LYS A 7 22.883 34.296 47.375 1.00 0.00 H new ATOM 0 HA LYS A 7 22.976 31.732 48.419 1.00 0.00 H new ATOM 0 HB2 LYS A 7 20.635 33.673 48.133 1.00 0.00 H new ATOM 0 HB3 LYS A 7 20.566 32.225 49.118 1.00 0.00 H new ATOM 0 HG2 LYS A 7 22.137 34.759 49.586 1.00 0.00 H new ATOM 0 HG3 LYS A 7 20.997 33.958 50.650 1.00 0.00 H new ATOM 0 HD2 LYS A 7 22.765 32.010 50.696 1.00 0.00 H new ATOM 0 HD3 LYS A 7 23.875 33.213 50.070 1.00 0.00 H new ATOM 0 HE2 LYS A 7 24.213 33.333 52.396 1.00 0.00 H new ATOM 0 HE3 LYS A 7 23.146 34.687 52.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.415 33.419 53.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.261 33.321 52.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 22.295 32.009 53.048 1.00 0.00 H new ATOM 118 N GLU A 8 21.193 31.766 45.693 1.00 0.00 N ATOM 119 CA GLU A 8 20.685 30.899 44.619 1.00 0.00 C ATOM 120 C GLU A 8 21.797 30.091 43.924 1.00 0.00 C ATOM 121 O GLU A 8 21.621 28.911 43.622 1.00 0.00 O ATOM 122 CB GLU A 8 19.965 31.802 43.601 1.00 0.00 C ATOM 123 CG GLU A 8 19.310 31.070 42.421 1.00 0.00 C ATOM 124 CD GLU A 8 18.074 30.241 42.794 1.00 0.00 C ATOM 125 OE1 GLU A 8 17.562 29.525 41.900 1.00 0.00 O ATOM 126 OE2 GLU A 8 17.598 30.290 43.958 1.00 0.00 O ATOM 0 H GLU A 8 21.214 32.753 45.435 1.00 0.00 H new ATOM 0 HA GLU A 8 20.007 30.163 45.051 1.00 0.00 H new ATOM 0 HB2 GLU A 8 19.197 32.372 44.125 1.00 0.00 H new ATOM 0 HB3 GLU A 8 20.683 32.522 43.207 1.00 0.00 H new ATOM 0 HG2 GLU A 8 19.026 31.804 41.667 1.00 0.00 H new ATOM 0 HG3 GLU A 8 20.048 30.412 41.963 1.00 0.00 H new ATOM 133 N GLN A 9 22.958 30.710 43.686 1.00 0.00 N ATOM 134 CA GLN A 9 24.092 30.074 43.013 1.00 0.00 C ATOM 135 C GLN A 9 24.638 28.881 43.804 1.00 0.00 C ATOM 136 O GLN A 9 24.848 27.815 43.229 1.00 0.00 O ATOM 137 CB GLN A 9 25.233 31.074 42.790 1.00 0.00 C ATOM 138 CG GLN A 9 24.917 32.224 41.830 1.00 0.00 C ATOM 139 CD GLN A 9 26.171 33.062 41.617 1.00 0.00 C ATOM 140 OE1 GLN A 9 26.727 33.594 42.567 1.00 0.00 O ATOM 141 NE2 GLN A 9 26.697 33.179 40.418 1.00 0.00 N ATOM 0 H GLN A 9 23.137 31.676 43.959 1.00 0.00 H new ATOM 0 HA GLN A 9 23.716 29.719 42.054 1.00 0.00 H new ATOM 0 HB2 GLN A 9 25.518 31.495 43.754 1.00 0.00 H new ATOM 0 HB3 GLN A 9 26.099 30.533 42.410 1.00 0.00 H new ATOM 0 HG2 GLN A 9 24.563 31.830 40.877 1.00 0.00 H new ATOM 0 HG3 GLN A 9 24.117 32.843 42.237 1.00 0.00 H new ATOM 0 HE21 GLN A 9 26.243 32.740 39.617 1.00 0.00 H new ATOM 0 HE22 GLN A 9 27.559 33.709 40.289 1.00 0.00 H new ATOM 150 N GLN A 10 24.831 29.037 45.121 1.00 0.00 N ATOM 151 CA GLN A 10 25.364 27.962 45.970 1.00 0.00 C ATOM 152 C GLN A 10 24.479 26.697 45.968 1.00 0.00 C ATOM 153 O GLN A 10 25.008 25.585 46.053 1.00 0.00 O ATOM 154 CB GLN A 10 25.637 28.455 47.403 1.00 0.00 C ATOM 155 CG GLN A 10 24.439 29.094 48.117 1.00 0.00 C ATOM 156 CD GLN A 10 24.728 29.416 49.584 1.00 0.00 C ATOM 157 OE1 GLN A 10 25.079 30.530 49.960 1.00 0.00 O ATOM 158 NE2 GLN A 10 24.752 28.425 50.444 1.00 0.00 N ATOM 0 H GLN A 10 24.625 29.901 45.623 1.00 0.00 H new ATOM 0 HA GLN A 10 26.317 27.670 45.528 1.00 0.00 H new ATOM 0 HB2 GLN A 10 25.986 27.612 47.999 1.00 0.00 H new ATOM 0 HB3 GLN A 10 26.449 29.181 47.371 1.00 0.00 H new ATOM 0 HG2 GLN A 10 24.158 30.010 47.597 1.00 0.00 H new ATOM 0 HG3 GLN A 10 23.585 28.419 48.059 1.00 0.00 H new ATOM 0 HE21 GLN A 10 24.465 27.490 50.153 1.00 0.00 H new ATOM 0 HE22 GLN A 10 25.058 28.589 51.403 1.00 0.00 H new ATOM 167 N ASN A 11 23.158 26.862 45.804 1.00 0.00 N ATOM 168 CA ASN A 11 22.190 25.774 45.606 1.00 0.00 C ATOM 169 C ASN A 11 22.350 25.091 44.251 1.00 0.00 C ATOM 170 O ASN A 11 22.519 23.873 44.213 1.00 0.00 O ATOM 171 CB ASN A 11 20.755 26.290 45.789 1.00 0.00 C ATOM 172 CG ASN A 11 20.442 26.871 47.153 1.00 0.00 C ATOM 173 OD1 ASN A 11 21.094 26.607 48.157 1.00 0.00 O ATOM 174 ND2 ASN A 11 19.384 27.640 47.223 1.00 0.00 N ATOM 0 H ASN A 11 22.721 27.784 45.806 1.00 0.00 H new ATOM 0 HA ASN A 11 22.395 25.020 46.366 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.563 27.053 45.035 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.064 25.469 45.595 1.00 0.00 H new ATOM 0 HD21 ASN A 11 19.094 28.027 48.121 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.851 27.852 46.380 1.00 0.00 H new ATOM 181 N ALA A 12 22.368 25.853 43.155 1.00 0.00 N ATOM 182 CA ALA A 12 22.538 25.280 41.822 1.00 0.00 C ATOM 183 C ALA A 12 23.882 24.534 41.670 1.00 0.00 C ATOM 184 O ALA A 12 23.976 23.501 41.009 1.00 0.00 O ATOM 185 CB ALA A 12 22.379 26.404 40.795 1.00 0.00 C ATOM 0 H ALA A 12 22.267 26.868 43.167 1.00 0.00 H new ATOM 0 HA ALA A 12 21.773 24.522 41.653 1.00 0.00 H new ATOM 0 HB1 ALA A 12 22.502 25.999 39.790 1.00 0.00 H new ATOM 0 HB2 ALA A 12 21.387 26.845 40.889 1.00 0.00 H new ATOM 0 HB3 ALA A 12 23.135 27.169 40.973 1.00 0.00 H new ATOM 191 N PHE A 13 24.918 25.029 42.347 1.00 0.00 N ATOM 192 CA PHE A 13 26.262 24.454 42.389 1.00 0.00 C ATOM 193 C PHE A 13 26.274 23.096 43.113 1.00 0.00 C ATOM 194 O PHE A 13 26.663 22.081 42.532 1.00 0.00 O ATOM 195 CB PHE A 13 27.174 25.495 43.051 1.00 0.00 C ATOM 196 CG PHE A 13 28.635 25.119 43.149 1.00 0.00 C ATOM 197 CD1 PHE A 13 29.182 24.685 44.371 1.00 0.00 C ATOM 198 CD2 PHE A 13 29.462 25.278 42.021 1.00 0.00 C ATOM 199 CE1 PHE A 13 30.557 24.412 44.469 1.00 0.00 C ATOM 200 CE2 PHE A 13 30.840 25.011 42.126 1.00 0.00 C ATOM 201 CZ PHE A 13 31.386 24.573 43.345 1.00 0.00 C ATOM 0 H PHE A 13 24.840 25.879 42.905 1.00 0.00 H new ATOM 0 HA PHE A 13 26.626 24.236 41.385 1.00 0.00 H new ATOM 0 HB2 PHE A 13 27.095 26.428 42.493 1.00 0.00 H new ATOM 0 HB3 PHE A 13 26.800 25.692 44.056 1.00 0.00 H new ATOM 0 HD1 PHE A 13 28.545 24.562 45.234 1.00 0.00 H new ATOM 0 HD2 PHE A 13 29.042 25.603 41.081 1.00 0.00 H new ATOM 0 HE1 PHE A 13 30.976 24.079 45.407 1.00 0.00 H new ATOM 0 HE2 PHE A 13 31.480 25.143 41.266 1.00 0.00 H new ATOM 0 HZ PHE A 13 32.442 24.360 43.418 1.00 0.00 H new ATOM 211 N TYR A 14 25.732 23.061 44.337 1.00 0.00 N ATOM 212 CA TYR A 14 25.377 21.831 45.058 1.00 0.00 C ATOM 213 C TYR A 14 24.563 20.781 44.283 1.00 0.00 C ATOM 214 O TYR A 14 24.897 19.595 44.291 1.00 0.00 O ATOM 215 CB TYR A 14 24.778 22.194 46.432 1.00 0.00 C ATOM 216 CG TYR A 14 23.793 21.200 47.023 1.00 0.00 C ATOM 217 CD1 TYR A 14 24.239 20.087 47.762 1.00 0.00 C ATOM 218 CD2 TYR A 14 22.413 21.402 46.821 1.00 0.00 C ATOM 219 CE1 TYR A 14 23.306 19.170 48.288 1.00 0.00 C ATOM 220 CE2 TYR A 14 21.479 20.497 47.357 1.00 0.00 C ATOM 221 CZ TYR A 14 21.925 19.378 48.089 1.00 0.00 C ATOM 222 OH TYR A 14 21.011 18.504 48.587 1.00 0.00 O ATOM 0 H TYR A 14 25.523 23.907 44.867 1.00 0.00 H new ATOM 0 HA TYR A 14 26.313 21.291 45.202 1.00 0.00 H new ATOM 0 HB2 TYR A 14 25.598 22.324 47.139 1.00 0.00 H new ATOM 0 HB3 TYR A 14 24.278 23.159 46.343 1.00 0.00 H new ATOM 0 HD1 TYR A 14 25.296 19.936 47.926 1.00 0.00 H new ATOM 0 HD2 TYR A 14 22.071 22.255 46.253 1.00 0.00 H new ATOM 0 HE1 TYR A 14 23.648 18.309 48.843 1.00 0.00 H new ATOM 0 HE2 TYR A 14 20.422 20.659 47.208 1.00 0.00 H new ATOM 0 HH TYR A 14 20.108 18.807 48.354 1.00 0.00 H new ATOM 232 N GLU A 15 23.524 21.235 43.579 1.00 0.00 N ATOM 233 CA GLU A 15 22.632 20.421 42.746 1.00 0.00 C ATOM 234 C GLU A 15 23.319 19.794 41.522 1.00 0.00 C ATOM 235 O GLU A 15 23.049 18.628 41.224 1.00 0.00 O ATOM 236 CB GLU A 15 21.436 21.289 42.312 1.00 0.00 C ATOM 237 CG GLU A 15 20.244 21.199 43.280 1.00 0.00 C ATOM 238 CD GLU A 15 19.380 19.945 43.064 1.00 0.00 C ATOM 239 OE1 GLU A 15 18.891 19.363 44.059 1.00 0.00 O ATOM 240 OE2 GLU A 15 19.186 19.489 41.912 1.00 0.00 O ATOM 0 H GLU A 15 23.269 22.223 43.573 1.00 0.00 H new ATOM 0 HA GLU A 15 22.301 19.577 43.352 1.00 0.00 H new ATOM 0 HB2 GLU A 15 21.757 22.328 42.236 1.00 0.00 H new ATOM 0 HB3 GLU A 15 21.113 20.981 41.317 1.00 0.00 H new ATOM 0 HG2 GLU A 15 20.616 21.204 44.305 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.621 22.086 43.162 1.00 0.00 H new ATOM 247 N ILE A 16 24.215 20.522 40.839 1.00 0.00 N ATOM 248 CA ILE A 16 25.045 20.022 39.738 1.00 0.00 C ATOM 249 C ILE A 16 26.125 19.047 40.237 1.00 0.00 C ATOM 250 O ILE A 16 26.358 18.018 39.603 1.00 0.00 O ATOM 251 CB ILE A 16 25.610 21.237 38.954 1.00 0.00 C ATOM 252 CG1 ILE A 16 24.526 21.783 38.000 1.00 0.00 C ATOM 253 CG2 ILE A 16 26.864 20.907 38.136 1.00 0.00 C ATOM 254 CD1 ILE A 16 24.689 23.262 37.615 1.00 0.00 C ATOM 0 H ILE A 16 24.386 21.506 41.046 1.00 0.00 H new ATOM 0 HA ILE A 16 24.441 19.431 39.050 1.00 0.00 H new ATOM 0 HB ILE A 16 25.896 21.979 39.699 1.00 0.00 H new ATOM 0 HG12 ILE A 16 24.528 21.183 37.090 1.00 0.00 H new ATOM 0 HG13 ILE A 16 23.550 21.650 38.467 1.00 0.00 H new ATOM 0 HG21 ILE A 16 27.204 21.802 37.614 1.00 0.00 H new ATOM 0 HG22 ILE A 16 27.651 20.555 38.803 1.00 0.00 H new ATOM 0 HG23 ILE A 16 26.630 20.130 37.409 1.00 0.00 H new ATOM 0 HD11 ILE A 16 23.882 23.554 36.943 1.00 0.00 H new ATOM 0 HD12 ILE A 16 24.654 23.878 38.514 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.647 23.404 37.115 1.00 0.00 H new ATOM 266 N LEU A 17 26.746 19.319 41.391 1.00 0.00 N ATOM 267 CA LEU A 17 27.743 18.435 42.020 1.00 0.00 C ATOM 268 C LEU A 17 27.170 17.065 42.439 1.00 0.00 C ATOM 269 O LEU A 17 27.906 16.075 42.479 1.00 0.00 O ATOM 270 CB LEU A 17 28.349 19.168 43.235 1.00 0.00 C ATOM 271 CG LEU A 17 29.517 20.093 42.853 1.00 0.00 C ATOM 272 CD1 LEU A 17 29.813 21.067 43.991 1.00 0.00 C ATOM 273 CD2 LEU A 17 30.799 19.297 42.586 1.00 0.00 C ATOM 0 H LEU A 17 26.570 20.171 41.924 1.00 0.00 H new ATOM 0 HA LEU A 17 28.511 18.216 41.279 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.572 19.755 43.724 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.697 18.433 43.961 1.00 0.00 H new ATOM 0 HG LEU A 17 29.218 20.625 41.950 1.00 0.00 H new ATOM 0 HD11 LEU A 17 30.642 21.716 43.708 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.929 21.673 44.190 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.080 20.508 44.888 1.00 0.00 H new ATOM 0 HD21 LEU A 17 31.604 19.982 42.319 1.00 0.00 H new ATOM 0 HD22 LEU A 17 31.077 18.743 43.483 1.00 0.00 H new ATOM 0 HD23 LEU A 17 30.630 18.599 41.766 1.00 0.00 H new ATOM 285 N HIS A 18 25.869 16.991 42.730 1.00 0.00 N ATOM 286 CA HIS A 18 25.191 15.768 43.171 1.00 0.00 C ATOM 287 C HIS A 18 24.844 14.788 42.024 1.00 0.00 C ATOM 288 O HIS A 18 24.453 13.650 42.303 1.00 0.00 O ATOM 289 CB HIS A 18 23.941 16.191 43.969 1.00 0.00 C ATOM 290 CG HIS A 18 23.471 15.196 45.004 1.00 0.00 C ATOM 291 ND1 HIS A 18 22.270 14.524 45.004 1.00 0.00 N ATOM 292 CD2 HIS A 18 24.113 14.863 46.167 1.00 0.00 C ATOM 293 CE1 HIS A 18 22.180 13.809 46.135 1.00 0.00 C ATOM 294 NE2 HIS A 18 23.287 13.983 46.886 1.00 0.00 N ATOM 0 H HIS A 18 25.245 17.795 42.665 1.00 0.00 H new ATOM 0 HA HIS A 18 25.876 15.199 43.799 1.00 0.00 H new ATOM 0 HB2 HIS A 18 24.151 17.137 44.467 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.127 16.374 43.268 1.00 0.00 H new ATOM 0 HD2 HIS A 18 25.085 15.216 46.477 1.00 0.00 H new ATOM 0 HE1 HIS A 18 21.342 13.184 46.406 1.00 0.00 H new ATOM 0 HE2 HIS A 18 23.485 13.561 47.793 1.00 0.00 H new ATOM 302 N LEU A 19 24.959 15.192 40.746 1.00 0.00 N ATOM 303 CA LEU A 19 24.462 14.401 39.606 1.00 0.00 C ATOM 304 C LEU A 19 25.376 13.193 39.271 1.00 0.00 C ATOM 305 O LEU A 19 26.578 13.385 39.057 1.00 0.00 O ATOM 306 CB LEU A 19 24.264 15.319 38.385 1.00 0.00 C ATOM 307 CG LEU A 19 23.017 16.219 38.490 1.00 0.00 C ATOM 308 CD1 LEU A 19 23.042 17.299 37.411 1.00 0.00 C ATOM 309 CD2 LEU A 19 21.719 15.429 38.302 1.00 0.00 C ATOM 0 H LEU A 19 25.397 16.072 40.475 1.00 0.00 H new ATOM 0 HA LEU A 19 23.500 13.974 39.890 1.00 0.00 H new ATOM 0 HB2 LEU A 19 25.147 15.947 38.265 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.185 14.705 37.488 1.00 0.00 H new ATOM 0 HG LEU A 19 23.042 16.656 39.488 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.154 17.924 37.501 1.00 0.00 H new ATOM 0 HD12 LEU A 19 23.933 17.915 37.533 1.00 0.00 H new ATOM 0 HD13 LEU A 19 23.057 16.830 36.427 1.00 0.00 H new ATOM 0 HD21 LEU A 19 20.867 16.104 38.384 1.00 0.00 H new ATOM 0 HD22 LEU A 19 21.717 14.961 37.318 1.00 0.00 H new ATOM 0 HD23 LEU A 19 21.647 14.659 39.070 1.00 0.00 H new ATOM 321 N PRO A 20 24.842 11.954 39.197 1.00 0.00 N ATOM 322 CA PRO A 20 25.656 10.735 39.112 1.00 0.00 C ATOM 323 C PRO A 20 26.164 10.382 37.702 1.00 0.00 C ATOM 324 O PRO A 20 27.260 9.840 37.579 1.00 0.00 O ATOM 325 CB PRO A 20 24.759 9.625 39.671 1.00 0.00 C ATOM 326 CG PRO A 20 23.351 10.086 39.301 1.00 0.00 C ATOM 327 CD PRO A 20 23.448 11.603 39.443 1.00 0.00 C ATOM 0 HA PRO A 20 26.579 10.876 39.674 1.00 0.00 H new ATOM 0 HB2 PRO A 20 24.994 8.657 39.228 1.00 0.00 H new ATOM 0 HB3 PRO A 20 24.876 9.519 40.749 1.00 0.00 H new ATOM 0 HG2 PRO A 20 23.081 9.790 38.287 1.00 0.00 H new ATOM 0 HG3 PRO A 20 22.598 9.664 39.967 1.00 0.00 H new ATOM 0 HD2 PRO A 20 22.791 12.102 38.731 1.00 0.00 H new ATOM 0 HD3 PRO A 20 23.138 11.920 40.439 1.00 0.00 H new ATOM 335 N ASN A 21 25.423 10.682 36.630 1.00 0.00 N ATOM 336 CA ASN A 21 25.829 10.347 35.254 1.00 0.00 C ATOM 337 C ASN A 21 26.681 11.457 34.601 1.00 0.00 C ATOM 338 O ASN A 21 27.345 11.205 33.594 1.00 0.00 O ATOM 339 CB ASN A 21 24.589 10.052 34.385 1.00 0.00 C ATOM 340 CG ASN A 21 23.588 9.077 34.985 1.00 0.00 C ATOM 341 OD1 ASN A 21 23.912 8.186 35.755 1.00 0.00 O ATOM 342 ND2 ASN A 21 22.337 9.201 34.617 1.00 0.00 N ATOM 0 H ASN A 21 24.526 11.163 36.688 1.00 0.00 H new ATOM 0 HA ASN A 21 26.452 9.455 35.316 1.00 0.00 H new ATOM 0 HB2 ASN A 21 24.077 10.993 34.182 1.00 0.00 H new ATOM 0 HB3 ASN A 21 24.924 9.658 33.426 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.634 8.554 34.973 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.066 9.945 33.974 1.00 0.00 H new ATOM 349 N LEU A 22 26.644 12.680 35.146 1.00 0.00 N ATOM 350 CA LEU A 22 27.337 13.863 34.620 1.00 0.00 C ATOM 351 C LEU A 22 28.865 13.706 34.681 1.00 0.00 C ATOM 352 O LEU A 22 29.422 13.330 35.718 1.00 0.00 O ATOM 353 CB LEU A 22 26.893 15.099 35.432 1.00 0.00 C ATOM 354 CG LEU A 22 26.858 16.442 34.683 1.00 0.00 C ATOM 355 CD1 LEU A 22 25.778 16.428 33.597 1.00 0.00 C ATOM 356 CD2 LEU A 22 26.545 17.556 35.694 1.00 0.00 C ATOM 0 H LEU A 22 26.113 12.880 35.994 1.00 0.00 H new ATOM 0 HA LEU A 22 27.070 13.985 33.570 1.00 0.00 H new ATOM 0 HB2 LEU A 22 25.897 14.905 35.829 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.562 15.203 36.286 1.00 0.00 H new ATOM 0 HG LEU A 22 27.824 16.613 34.208 1.00 0.00 H new ATOM 0 HD11 LEU A 22 25.770 17.387 33.079 1.00 0.00 H new ATOM 0 HD12 LEU A 22 25.990 15.632 32.883 1.00 0.00 H new ATOM 0 HD13 LEU A 22 24.804 16.255 34.055 1.00 0.00 H new ATOM 0 HD21 LEU A 22 26.516 18.517 35.180 1.00 0.00 H new ATOM 0 HD22 LEU A 22 25.578 17.364 36.159 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.318 17.579 36.462 1.00 0.00 H new ATOM 368 N THR A 23 29.561 14.043 33.597 1.00 0.00 N ATOM 369 CA THR A 23 31.032 14.035 33.585 1.00 0.00 C ATOM 370 C THR A 23 31.652 15.201 34.339 1.00 0.00 C ATOM 371 O THR A 23 31.082 16.291 34.431 1.00 0.00 O ATOM 372 CB THR A 23 31.662 13.815 32.200 1.00 0.00 C ATOM 373 OG1 THR A 23 31.703 15.015 31.476 1.00 0.00 O ATOM 374 CG2 THR A 23 30.947 12.741 31.386 1.00 0.00 C ATOM 0 H THR A 23 29.136 14.325 32.714 1.00 0.00 H new ATOM 0 HA THR A 23 31.292 13.140 34.150 1.00 0.00 H new ATOM 0 HB THR A 23 32.678 13.462 32.378 1.00 0.00 H new ATOM 0 HG1 THR A 23 32.109 14.854 30.599 1.00 0.00 H new ATOM 0 HG21 THR A 23 31.437 12.631 30.419 1.00 0.00 H new ATOM 0 HG22 THR A 23 30.985 11.793 31.922 1.00 0.00 H new ATOM 0 HG23 THR A 23 29.907 13.031 31.235 1.00 0.00 H new ATOM 382 N GLU A 24 32.848 14.973 34.877 1.00 0.00 N ATOM 383 CA GLU A 24 33.634 16.008 35.560 1.00 0.00 C ATOM 384 C GLU A 24 34.056 17.147 34.611 1.00 0.00 C ATOM 385 O GLU A 24 34.292 18.268 35.059 1.00 0.00 O ATOM 386 CB GLU A 24 34.854 15.369 36.249 1.00 0.00 C ATOM 387 CG GLU A 24 34.477 14.490 37.457 1.00 0.00 C ATOM 388 CD GLU A 24 34.178 13.025 37.110 1.00 0.00 C ATOM 389 OE1 GLU A 24 33.068 12.525 37.418 1.00 0.00 O ATOM 390 OE2 GLU A 24 35.077 12.327 36.576 1.00 0.00 O ATOM 0 H GLU A 24 33.305 14.061 34.853 1.00 0.00 H new ATOM 0 HA GLU A 24 32.998 16.464 36.319 1.00 0.00 H new ATOM 0 HB2 GLU A 24 35.398 14.764 35.523 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.531 16.157 36.578 1.00 0.00 H new ATOM 0 HG2 GLU A 24 35.292 14.520 38.180 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.602 14.920 37.945 1.00 0.00 H new ATOM 397 N GLU A 25 34.081 16.867 33.302 1.00 0.00 N ATOM 398 CA GLU A 25 34.228 17.825 32.199 1.00 0.00 C ATOM 399 C GLU A 25 32.962 18.638 31.912 1.00 0.00 C ATOM 400 O GLU A 25 33.008 19.854 31.715 1.00 0.00 O ATOM 401 CB GLU A 25 34.550 17.030 30.921 1.00 0.00 C ATOM 402 CG GLU A 25 36.026 16.658 30.746 1.00 0.00 C ATOM 403 CD GLU A 25 36.951 17.816 30.357 1.00 0.00 C ATOM 404 OE1 GLU A 25 38.188 17.659 30.524 1.00 0.00 O ATOM 405 OE2 GLU A 25 36.497 18.865 29.843 1.00 0.00 O ATOM 0 H GLU A 25 33.994 15.908 32.964 1.00 0.00 H new ATOM 0 HA GLU A 25 35.013 18.523 32.491 1.00 0.00 H new ATOM 0 HB2 GLU A 25 33.958 16.115 30.921 1.00 0.00 H new ATOM 0 HB3 GLU A 25 34.233 17.615 30.057 1.00 0.00 H new ATOM 0 HG2 GLU A 25 36.387 16.223 31.678 1.00 0.00 H new ATOM 0 HG3 GLU A 25 36.100 15.883 29.983 1.00 0.00 H new ATOM 412 N GLN A 26 31.818 17.959 31.851 1.00 0.00 N ATOM 413 CA GLN A 26 30.511 18.559 31.594 1.00 0.00 C ATOM 414 C GLN A 26 30.122 19.556 32.682 1.00 0.00 C ATOM 415 O GLN A 26 29.620 20.640 32.377 1.00 0.00 O ATOM 416 CB GLN A 26 29.475 17.433 31.522 1.00 0.00 C ATOM 417 CG GLN A 26 29.170 17.008 30.087 1.00 0.00 C ATOM 418 CD GLN A 26 28.329 15.744 30.089 1.00 0.00 C ATOM 419 OE1 GLN A 26 28.175 15.072 31.103 1.00 0.00 O ATOM 420 NE2 GLN A 26 27.734 15.385 28.976 1.00 0.00 N ATOM 0 H GLN A 26 31.774 16.948 31.983 1.00 0.00 H new ATOM 0 HA GLN A 26 30.552 19.109 30.654 1.00 0.00 H new ATOM 0 HB2 GLN A 26 29.840 16.572 32.082 1.00 0.00 H new ATOM 0 HB3 GLN A 26 28.554 17.760 32.004 1.00 0.00 H new ATOM 0 HG2 GLN A 26 28.641 17.806 29.567 1.00 0.00 H new ATOM 0 HG3 GLN A 26 30.099 16.836 29.544 1.00 0.00 H new ATOM 0 HE21 GLN A 26 27.858 15.940 28.129 1.00 0.00 H new ATOM 0 HE22 GLN A 26 27.147 14.551 28.958 1.00 0.00 H new ATOM 429 N ARG A 27 30.390 19.189 33.942 1.00 0.00 N ATOM 430 CA ARG A 27 30.042 19.943 35.154 1.00 0.00 C ATOM 431 C ARG A 27 30.474 21.411 35.057 1.00 0.00 C ATOM 432 O ARG A 27 29.660 22.315 35.240 1.00 0.00 O ATOM 433 CB ARG A 27 30.696 19.222 36.347 1.00 0.00 C ATOM 434 CG ARG A 27 29.910 19.475 37.635 1.00 0.00 C ATOM 435 CD ARG A 27 30.425 18.711 38.851 1.00 0.00 C ATOM 436 NE ARG A 27 31.868 18.890 39.101 1.00 0.00 N ATOM 437 CZ ARG A 27 32.696 17.957 39.538 1.00 0.00 C ATOM 438 NH1 ARG A 27 32.405 16.689 39.561 1.00 0.00 N ATOM 439 NH2 ARG A 27 33.867 18.266 39.996 1.00 0.00 N ATOM 0 H ARG A 27 30.878 18.319 34.154 1.00 0.00 H new ATOM 0 HA ARG A 27 28.960 19.971 35.284 1.00 0.00 H new ATOM 0 HB2 ARG A 27 30.742 18.151 36.149 1.00 0.00 H new ATOM 0 HB3 ARG A 27 31.722 19.569 36.468 1.00 0.00 H new ATOM 0 HG2 ARG A 27 29.933 20.542 37.856 1.00 0.00 H new ATOM 0 HG3 ARG A 27 28.867 19.206 37.468 1.00 0.00 H new ATOM 0 HD2 ARG A 27 29.871 19.034 39.732 1.00 0.00 H new ATOM 0 HD3 ARG A 27 30.218 17.649 38.715 1.00 0.00 H new ATOM 0 HE ARG A 27 32.261 19.814 38.921 1.00 0.00 H new ATOM 0 HH11 ARG A 27 31.495 16.368 39.230 1.00 0.00 H new ATOM 0 HH12 ARG A 27 33.087 16.016 39.910 1.00 0.00 H new ATOM 0 HH21 ARG A 27 34.163 19.242 40.023 1.00 0.00 H new ATOM 0 HH22 ARG A 27 34.494 17.534 40.329 1.00 0.00 H new ATOM 453 N ASN A 28 31.727 21.621 34.655 1.00 0.00 N ATOM 454 CA ASN A 28 32.387 22.903 34.436 1.00 0.00 C ATOM 455 C ASN A 28 31.594 23.817 33.497 1.00 0.00 C ATOM 456 O ASN A 28 31.498 24.997 33.789 1.00 0.00 O ATOM 457 CB ASN A 28 33.789 22.637 33.844 1.00 0.00 C ATOM 458 CG ASN A 28 34.677 21.711 34.660 1.00 0.00 C ATOM 459 OD1 ASN A 28 34.667 21.715 35.886 1.00 0.00 O ATOM 460 ND2 ASN A 28 35.483 20.912 34.007 1.00 0.00 N ATOM 0 H ASN A 28 32.352 20.839 34.460 1.00 0.00 H new ATOM 0 HA ASN A 28 32.458 23.418 35.394 1.00 0.00 H new ATOM 0 HB2 ASN A 28 33.669 22.212 32.847 1.00 0.00 H new ATOM 0 HB3 ASN A 28 34.301 23.592 33.724 1.00 0.00 H new ATOM 0 HD21 ASN A 28 36.107 20.288 34.518 1.00 0.00 H new ATOM 0 HD22 ASN A 28 35.487 20.913 32.987 1.00 0.00 H new ATOM 467 N GLY A 29 30.976 23.312 32.424 1.00 0.00 N ATOM 468 CA GLY A 29 30.248 24.160 31.470 1.00 0.00 C ATOM 469 C GLY A 29 28.956 24.774 32.026 1.00 0.00 C ATOM 470 O GLY A 29 28.641 25.925 31.701 1.00 0.00 O ATOM 0 H GLY A 29 30.965 22.319 32.193 1.00 0.00 H new ATOM 0 HA2 GLY A 29 30.906 24.964 31.142 1.00 0.00 H new ATOM 0 HA3 GLY A 29 30.004 23.567 30.588 1.00 0.00 H new ATOM 474 N PHE A 30 28.235 24.062 32.905 1.00 0.00 N ATOM 475 CA PHE A 30 27.006 24.585 33.519 1.00 0.00 C ATOM 476 C PHE A 30 27.458 25.511 34.649 1.00 0.00 C ATOM 477 O PHE A 30 27.003 26.649 34.707 1.00 0.00 O ATOM 478 CB PHE A 30 26.162 23.449 34.116 1.00 0.00 C ATOM 479 CG PHE A 30 26.009 22.238 33.234 1.00 0.00 C ATOM 480 CD1 PHE A 30 26.724 21.077 33.555 1.00 0.00 C ATOM 481 CD2 PHE A 30 25.170 22.261 32.106 1.00 0.00 C ATOM 482 CE1 PHE A 30 26.616 19.940 32.747 1.00 0.00 C ATOM 483 CE2 PHE A 30 25.086 21.125 31.286 1.00 0.00 C ATOM 484 CZ PHE A 30 25.796 19.963 31.608 1.00 0.00 C ATOM 0 H PHE A 30 28.483 23.120 33.207 1.00 0.00 H new ATOM 0 HA PHE A 30 26.396 25.098 32.775 1.00 0.00 H new ATOM 0 HB2 PHE A 30 26.613 23.139 35.059 1.00 0.00 H new ATOM 0 HB3 PHE A 30 25.171 23.837 34.349 1.00 0.00 H new ATOM 0 HD1 PHE A 30 27.360 21.060 34.428 1.00 0.00 H new ATOM 0 HD2 PHE A 30 24.595 23.145 31.873 1.00 0.00 H new ATOM 0 HE1 PHE A 30 27.164 19.044 33.000 1.00 0.00 H new ATOM 0 HE2 PHE A 30 24.469 21.148 30.400 1.00 0.00 H new ATOM 0 HZ PHE A 30 25.713 19.087 30.982 1.00 0.00 H new ATOM 494 N ILE A 31 28.388 25.056 35.502 1.00 0.00 N ATOM 495 CA ILE A 31 28.924 25.870 36.609 1.00 0.00 C ATOM 496 C ILE A 31 29.475 27.189 36.084 1.00 0.00 C ATOM 497 O ILE A 31 29.086 28.241 36.576 1.00 0.00 O ATOM 498 CB ILE A 31 30.011 25.108 37.400 1.00 0.00 C ATOM 499 CG1 ILE A 31 29.324 23.921 38.108 1.00 0.00 C ATOM 500 CG2 ILE A 31 30.757 26.051 38.373 1.00 0.00 C ATOM 501 CD1 ILE A 31 30.246 23.040 38.954 1.00 0.00 C ATOM 0 H ILE A 31 28.789 24.120 35.447 1.00 0.00 H new ATOM 0 HA ILE A 31 28.101 26.080 37.293 1.00 0.00 H new ATOM 0 HB ILE A 31 30.782 24.722 36.733 1.00 0.00 H new ATOM 0 HG12 ILE A 31 28.533 24.310 38.749 1.00 0.00 H new ATOM 0 HG13 ILE A 31 28.845 23.297 37.353 1.00 0.00 H new ATOM 0 HG21 ILE A 31 31.516 25.487 38.916 1.00 0.00 H new ATOM 0 HG22 ILE A 31 31.234 26.852 37.809 1.00 0.00 H new ATOM 0 HG23 ILE A 31 30.047 26.479 39.081 1.00 0.00 H new ATOM 0 HD11 ILE A 31 29.666 22.236 39.408 1.00 0.00 H new ATOM 0 HD12 ILE A 31 31.024 22.613 38.320 1.00 0.00 H new ATOM 0 HD13 ILE A 31 30.706 23.642 39.737 1.00 0.00 H new ATOM 513 N GLN A 32 30.325 27.140 35.059 1.00 0.00 N ATOM 514 CA GLN A 32 30.876 28.343 34.429 1.00 0.00 C ATOM 515 C GLN A 32 29.759 29.319 33.997 1.00 0.00 C ATOM 516 O GLN A 32 29.732 30.479 34.402 1.00 0.00 O ATOM 517 CB GLN A 32 31.811 27.935 33.274 1.00 0.00 C ATOM 518 CG GLN A 32 32.335 29.062 32.376 1.00 0.00 C ATOM 519 CD GLN A 32 33.005 30.201 33.121 1.00 0.00 C ATOM 520 OE1 GLN A 32 32.243 31.179 33.536 1.00 0.00 O flip ATOM 521 NE2 GLN A 32 34.180 30.168 33.462 1.00 0.00 N flip ATOM 0 H GLN A 32 30.651 26.268 34.642 1.00 0.00 H new ATOM 0 HA GLN A 32 31.473 28.894 35.156 1.00 0.00 H new ATOM 0 HB2 GLN A 32 32.668 27.413 33.699 1.00 0.00 H new ATOM 0 HB3 GLN A 32 31.282 27.219 32.646 1.00 0.00 H new ATOM 0 HG2 GLN A 32 33.046 28.642 31.665 1.00 0.00 H new ATOM 0 HG3 GLN A 32 31.504 29.463 31.796 1.00 0.00 H new ATOM 0 HE21 GLN A 32 34.782 29.409 33.143 1.00 0.00 H new ATOM 0 HE22 GLN A 32 34.557 30.899 34.065 1.00 0.00 H new ATOM 530 N SER A 33 28.791 28.838 33.223 1.00 0.00 N ATOM 531 CA SER A 33 27.620 29.610 32.771 1.00 0.00 C ATOM 532 C SER A 33 26.770 30.193 33.925 1.00 0.00 C ATOM 533 O SER A 33 26.198 31.276 33.771 1.00 0.00 O ATOM 534 CB SER A 33 26.742 28.732 31.867 1.00 0.00 C ATOM 535 OG SER A 33 27.482 28.194 30.777 1.00 0.00 O ATOM 0 H SER A 33 28.792 27.877 32.880 1.00 0.00 H new ATOM 0 HA SER A 33 28.009 30.466 32.219 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.315 27.919 32.454 1.00 0.00 H new ATOM 0 HB3 SER A 33 25.909 29.322 31.485 1.00 0.00 H new ATOM 0 HG SER A 33 27.926 27.367 31.059 1.00 0.00 H new ATOM 541 N LEU A 34 26.738 29.526 35.089 1.00 0.00 N ATOM 542 CA LEU A 34 26.116 29.977 36.350 1.00 0.00 C ATOM 543 C LEU A 34 26.823 31.214 36.957 1.00 0.00 C ATOM 544 O LEU A 34 26.182 32.037 37.617 1.00 0.00 O ATOM 545 CB LEU A 34 26.194 28.801 37.363 1.00 0.00 C ATOM 546 CG LEU A 34 25.021 28.560 38.328 1.00 0.00 C ATOM 547 CD1 LEU A 34 24.565 29.816 39.048 1.00 0.00 C ATOM 548 CD2 LEU A 34 23.836 27.896 37.651 1.00 0.00 C ATOM 0 H LEU A 34 27.168 28.606 35.184 1.00 0.00 H new ATOM 0 HA LEU A 34 25.087 30.269 36.140 1.00 0.00 H new ATOM 0 HB2 LEU A 34 26.341 27.885 36.791 1.00 0.00 H new ATOM 0 HB3 LEU A 34 27.090 28.947 37.966 1.00 0.00 H new ATOM 0 HG LEU A 34 25.419 27.876 39.077 1.00 0.00 H new ATOM 0 HD11 LEU A 34 23.735 29.574 39.712 1.00 0.00 H new ATOM 0 HD12 LEU A 34 25.391 30.221 39.632 1.00 0.00 H new ATOM 0 HD13 LEU A 34 24.240 30.557 38.317 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.037 27.749 38.378 1.00 0.00 H new ATOM 0 HD22 LEU A 34 23.477 28.531 36.840 1.00 0.00 H new ATOM 0 HD23 LEU A 34 24.141 26.930 37.248 1.00 0.00 H new ATOM 560 N LYS A 35 28.144 31.349 36.755 1.00 0.00 N ATOM 561 CA LYS A 35 28.940 32.509 37.214 1.00 0.00 C ATOM 562 C LYS A 35 28.641 33.758 36.374 1.00 0.00 C ATOM 563 O LYS A 35 28.714 34.879 36.879 1.00 0.00 O ATOM 564 CB LYS A 35 30.457 32.207 37.186 1.00 0.00 C ATOM 565 CG LYS A 35 30.835 30.837 37.768 1.00 0.00 C ATOM 566 CD LYS A 35 32.333 30.578 37.984 1.00 0.00 C ATOM 567 CE LYS A 35 33.183 30.660 36.711 1.00 0.00 C ATOM 568 NZ LYS A 35 34.015 31.888 36.664 1.00 0.00 N ATOM 0 H LYS A 35 28.700 30.649 36.263 1.00 0.00 H new ATOM 0 HA LYS A 35 28.648 32.704 38.246 1.00 0.00 H new ATOM 0 HB2 LYS A 35 30.808 32.261 36.156 1.00 0.00 H new ATOM 0 HB3 LYS A 35 30.981 32.983 37.743 1.00 0.00 H new ATOM 0 HG2 LYS A 35 30.326 30.720 38.725 1.00 0.00 H new ATOM 0 HG3 LYS A 35 30.447 30.065 37.104 1.00 0.00 H new ATOM 0 HD2 LYS A 35 32.713 31.300 38.706 1.00 0.00 H new ATOM 0 HD3 LYS A 35 32.458 29.589 38.426 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.829 29.784 36.652 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.530 30.634 35.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.412 32.002 35.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 33.428 32.714 36.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.789 31.809 37.354 1.00 0.00 H new ATOM 582 N ASP A 36 28.295 33.561 35.100 1.00 0.00 N ATOM 583 CA ASP A 36 27.874 34.611 34.171 1.00 0.00 C ATOM 584 C ASP A 36 26.438 35.127 34.376 1.00 0.00 C ATOM 585 O ASP A 36 26.238 36.317 34.618 1.00 0.00 O ATOM 586 CB ASP A 36 28.167 34.183 32.722 1.00 0.00 C ATOM 587 CG ASP A 36 27.489 35.076 31.679 1.00 0.00 C ATOM 588 OD1 ASP A 36 26.642 34.563 30.907 1.00 0.00 O ATOM 589 OD2 ASP A 36 27.802 36.290 31.618 1.00 0.00 O ATOM 0 H ASP A 36 28.301 32.635 34.673 1.00 0.00 H new ATOM 0 HA ASP A 36 28.478 35.488 34.402 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.244 34.197 32.557 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.836 33.154 32.580 1.00 0.00 H new ATOM 594 N ASP A 37 25.451 34.226 34.334 1.00 0.00 N ATOM 595 CA ASP A 37 24.009 34.530 34.359 1.00 0.00 C ATOM 596 C ASP A 37 23.180 33.829 35.465 1.00 0.00 C ATOM 597 O ASP A 37 22.341 32.972 35.179 1.00 0.00 O ATOM 598 CB ASP A 37 23.391 34.377 32.952 1.00 0.00 C ATOM 599 CG ASP A 37 23.675 35.496 31.942 1.00 0.00 C ATOM 600 OD1 ASP A 37 23.902 36.673 32.309 1.00 0.00 O ATOM 601 OD2 ASP A 37 23.572 35.230 30.723 1.00 0.00 O ATOM 0 H ASP A 37 25.638 33.225 34.279 1.00 0.00 H new ATOM 0 HA ASP A 37 23.949 35.577 34.655 1.00 0.00 H new ATOM 0 HB2 ASP A 37 23.746 33.438 32.526 1.00 0.00 H new ATOM 0 HB3 ASP A 37 22.310 34.288 33.064 1.00 0.00 H new ATOM 606 N PRO A 38 23.369 34.155 36.759 1.00 0.00 N ATOM 607 CA PRO A 38 22.655 33.481 37.852 1.00 0.00 C ATOM 608 C PRO A 38 21.129 33.712 37.860 1.00 0.00 C ATOM 609 O PRO A 38 20.395 32.969 38.517 1.00 0.00 O ATOM 610 CB PRO A 38 23.346 33.972 39.124 1.00 0.00 C ATOM 611 CG PRO A 38 23.883 35.351 38.745 1.00 0.00 C ATOM 612 CD PRO A 38 24.290 35.153 37.285 1.00 0.00 C ATOM 0 HA PRO A 38 22.714 32.398 37.743 1.00 0.00 H new ATOM 0 HB2 PRO A 38 22.649 34.031 39.960 1.00 0.00 H new ATOM 0 HB3 PRO A 38 24.149 33.300 39.426 1.00 0.00 H new ATOM 0 HG2 PRO A 38 23.125 36.127 38.854 1.00 0.00 H new ATOM 0 HG3 PRO A 38 24.729 35.643 39.367 1.00 0.00 H new ATOM 0 HD2 PRO A 38 24.218 36.087 36.727 1.00 0.00 H new ATOM 0 HD3 PRO A 38 25.323 34.814 37.208 1.00 0.00 H new ATOM 620 N SER A 39 20.613 34.670 37.079 1.00 0.00 N ATOM 621 CA SER A 39 19.167 34.865 36.865 1.00 0.00 C ATOM 622 C SER A 39 18.520 33.713 36.064 1.00 0.00 C ATOM 623 O SER A 39 17.295 33.618 36.006 1.00 0.00 O ATOM 624 CB SER A 39 18.945 36.208 36.162 1.00 0.00 C ATOM 625 OG SER A 39 17.762 36.853 36.600 1.00 0.00 O ATOM 0 H SER A 39 21.191 35.340 36.571 1.00 0.00 H new ATOM 0 HA SER A 39 18.679 34.866 37.840 1.00 0.00 H new ATOM 0 HB2 SER A 39 19.800 36.858 36.346 1.00 0.00 H new ATOM 0 HB3 SER A 39 18.892 36.048 35.085 1.00 0.00 H new ATOM 0 HG SER A 39 17.660 37.706 36.128 1.00 0.00 H new ATOM 631 N VAL A 40 19.311 32.804 35.475 1.00 0.00 N ATOM 632 CA VAL A 40 18.849 31.581 34.789 1.00 0.00 C ATOM 633 C VAL A 40 19.290 30.287 35.486 1.00 0.00 C ATOM 634 O VAL A 40 19.298 29.223 34.870 1.00 0.00 O ATOM 635 CB VAL A 40 19.145 31.599 33.273 1.00 0.00 C ATOM 636 CG1 VAL A 40 18.569 32.853 32.611 1.00 0.00 C ATOM 637 CG2 VAL A 40 20.632 31.494 32.916 1.00 0.00 C ATOM 0 H VAL A 40 20.326 32.901 35.461 1.00 0.00 H new ATOM 0 HA VAL A 40 17.762 31.585 34.875 1.00 0.00 H new ATOM 0 HB VAL A 40 18.657 30.703 32.890 1.00 0.00 H new ATOM 0 HG11 VAL A 40 18.793 32.837 31.544 1.00 0.00 H new ATOM 0 HG12 VAL A 40 17.489 32.876 32.754 1.00 0.00 H new ATOM 0 HG13 VAL A 40 19.014 33.740 33.062 1.00 0.00 H new ATOM 0 HG21 VAL A 40 20.748 31.514 31.832 1.00 0.00 H new ATOM 0 HG22 VAL A 40 21.172 32.333 33.355 1.00 0.00 H new ATOM 0 HG23 VAL A 40 21.035 30.560 33.307 1.00 0.00 H new ATOM 647 N SER A 41 19.574 30.341 36.796 1.00 0.00 N ATOM 648 CA SER A 41 19.871 29.182 37.664 1.00 0.00 C ATOM 649 C SER A 41 19.013 27.939 37.371 1.00 0.00 C ATOM 650 O SER A 41 19.543 26.843 37.180 1.00 0.00 O ATOM 651 CB SER A 41 19.677 29.595 39.135 1.00 0.00 C ATOM 652 OG SER A 41 18.366 30.107 39.371 1.00 0.00 O ATOM 0 H SER A 41 19.605 31.225 37.303 1.00 0.00 H new ATOM 0 HA SER A 41 20.903 28.897 37.457 1.00 0.00 H new ATOM 0 HB2 SER A 41 19.853 28.735 39.781 1.00 0.00 H new ATOM 0 HB3 SER A 41 20.416 30.351 39.401 1.00 0.00 H new ATOM 0 HG SER A 41 18.044 29.794 40.242 1.00 0.00 H new ATOM 658 N LYS A 42 17.697 28.144 37.225 1.00 0.00 N ATOM 659 CA LYS A 42 16.675 27.118 36.950 1.00 0.00 C ATOM 660 C LYS A 42 16.971 26.347 35.662 1.00 0.00 C ATOM 661 O LYS A 42 16.787 25.132 35.589 1.00 0.00 O ATOM 662 CB LYS A 42 15.283 27.776 36.802 1.00 0.00 C ATOM 663 CG LYS A 42 14.948 28.909 37.795 1.00 0.00 C ATOM 664 CD LYS A 42 15.110 30.294 37.138 1.00 0.00 C ATOM 665 CE LYS A 42 13.950 30.642 36.190 1.00 0.00 C ATOM 666 NZ LYS A 42 12.711 31.003 36.920 1.00 0.00 N ATOM 0 H LYS A 42 17.293 29.078 37.299 1.00 0.00 H new ATOM 0 HA LYS A 42 16.690 26.426 37.792 1.00 0.00 H new ATOM 0 HB2 LYS A 42 15.199 28.173 35.790 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.526 26.999 36.903 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.925 28.791 38.153 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.601 28.838 38.665 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.178 31.055 37.916 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.048 30.321 36.583 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.245 31.472 35.549 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.750 29.792 35.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.959 31.229 36.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.412 30.203 37.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.892 31.831 37.523 1.00 0.00 H new ATOM 680 N GLU A 43 17.430 27.070 34.643 1.00 0.00 N ATOM 681 CA GLU A 43 17.638 26.567 33.291 1.00 0.00 C ATOM 682 C GLU A 43 19.018 25.937 33.092 1.00 0.00 C ATOM 683 O GLU A 43 19.176 25.022 32.278 1.00 0.00 O ATOM 684 CB GLU A 43 17.458 27.710 32.283 1.00 0.00 C ATOM 685 CG GLU A 43 16.073 28.375 32.295 1.00 0.00 C ATOM 686 CD GLU A 43 14.939 27.506 31.725 1.00 0.00 C ATOM 687 OE1 GLU A 43 15.080 26.259 31.654 1.00 0.00 O ATOM 688 OE2 GLU A 43 13.860 28.060 31.401 1.00 0.00 O ATOM 0 H GLU A 43 17.675 28.055 34.741 1.00 0.00 H new ATOM 0 HA GLU A 43 16.897 25.784 33.129 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.212 28.472 32.482 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.651 27.325 31.282 1.00 0.00 H new ATOM 0 HG2 GLU A 43 15.824 28.647 33.321 1.00 0.00 H new ATOM 0 HG3 GLU A 43 16.125 29.302 31.724 1.00 0.00 H new ATOM 695 N ILE A 44 20.015 26.409 33.844 1.00 0.00 N ATOM 696 CA ILE A 44 21.347 25.802 33.915 1.00 0.00 C ATOM 697 C ILE A 44 21.285 24.471 34.682 1.00 0.00 C ATOM 698 O ILE A 44 21.881 23.484 34.244 1.00 0.00 O ATOM 699 CB ILE A 44 22.342 26.807 34.537 1.00 0.00 C ATOM 700 CG1 ILE A 44 22.447 28.135 33.751 1.00 0.00 C ATOM 701 CG2 ILE A 44 23.735 26.179 34.662 1.00 0.00 C ATOM 702 CD1 ILE A 44 23.024 28.043 32.331 1.00 0.00 C ATOM 0 H ILE A 44 19.918 27.238 34.431 1.00 0.00 H new ATOM 0 HA ILE A 44 21.706 25.568 32.913 1.00 0.00 H new ATOM 0 HB ILE A 44 21.946 27.047 35.524 1.00 0.00 H new ATOM 0 HG12 ILE A 44 21.451 28.574 33.688 1.00 0.00 H new ATOM 0 HG13 ILE A 44 23.064 28.825 34.327 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.422 26.902 35.102 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.680 25.296 35.299 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.095 25.892 33.674 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.047 29.036 31.883 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.036 27.641 32.375 1.00 0.00 H new ATOM 0 HD13 ILE A 44 22.399 27.386 31.726 1.00 0.00 H new ATOM 714 N LEU A 45 20.483 24.396 35.757 1.00 0.00 N ATOM 715 CA LEU A 45 20.140 23.132 36.409 1.00 0.00 C ATOM 716 C LEU A 45 19.423 22.181 35.434 1.00 0.00 C ATOM 717 O LEU A 45 19.789 21.008 35.361 1.00 0.00 O ATOM 718 CB LEU A 45 19.281 23.385 37.669 1.00 0.00 C ATOM 719 CG LEU A 45 20.022 23.834 38.951 1.00 0.00 C ATOM 720 CD1 LEU A 45 19.088 23.698 40.148 1.00 0.00 C ATOM 721 CD2 LEU A 45 21.242 22.959 39.192 1.00 0.00 C ATOM 0 H LEU A 45 20.057 25.213 36.195 1.00 0.00 H new ATOM 0 HA LEU A 45 21.067 22.650 36.720 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.538 24.144 37.425 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.737 22.468 37.897 1.00 0.00 H new ATOM 0 HG LEU A 45 20.336 24.870 38.826 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.608 24.014 41.053 1.00 0.00 H new ATOM 0 HD12 LEU A 45 18.209 24.325 39.997 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.778 22.658 40.252 1.00 0.00 H new ATOM 0 HD21 LEU A 45 21.752 23.288 40.097 1.00 0.00 H new ATOM 0 HD22 LEU A 45 20.928 21.922 39.308 1.00 0.00 H new ATOM 0 HD23 LEU A 45 21.921 23.040 38.343 1.00 0.00 H new ATOM 733 N ALA A 46 18.457 22.674 34.650 1.00 0.00 N ATOM 734 CA ALA A 46 17.725 21.857 33.679 1.00 0.00 C ATOM 735 C ALA A 46 18.647 21.222 32.617 1.00 0.00 C ATOM 736 O ALA A 46 18.468 20.057 32.274 1.00 0.00 O ATOM 737 CB ALA A 46 16.631 22.714 33.034 1.00 0.00 C ATOM 0 H ALA A 46 18.162 23.650 34.672 1.00 0.00 H new ATOM 0 HA ALA A 46 17.270 21.020 34.209 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.080 22.115 32.309 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.947 23.071 33.804 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.086 23.566 32.529 1.00 0.00 H new ATOM 743 N GLU A 47 19.677 21.933 32.144 1.00 0.00 N ATOM 744 CA GLU A 47 20.663 21.384 31.199 1.00 0.00 C ATOM 745 C GLU A 47 21.488 20.242 31.781 1.00 0.00 C ATOM 746 O GLU A 47 21.592 19.186 31.156 1.00 0.00 O ATOM 747 CB GLU A 47 21.647 22.454 30.704 1.00 0.00 C ATOM 748 CG GLU A 47 21.261 22.955 29.326 1.00 0.00 C ATOM 749 CD GLU A 47 22.276 23.965 28.766 1.00 0.00 C ATOM 750 OE1 GLU A 47 22.592 23.896 27.550 1.00 0.00 O ATOM 751 OE2 GLU A 47 22.752 24.848 29.518 1.00 0.00 O ATOM 0 H GLU A 47 19.853 22.904 32.403 1.00 0.00 H new ATOM 0 HA GLU A 47 20.060 21.007 30.373 1.00 0.00 H new ATOM 0 HB2 GLU A 47 21.665 23.288 31.406 1.00 0.00 H new ATOM 0 HB3 GLU A 47 22.655 22.040 30.675 1.00 0.00 H new ATOM 0 HG2 GLU A 47 21.180 22.109 28.644 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.277 23.421 29.374 1.00 0.00 H new ATOM 758 N ALA A 48 22.055 20.436 32.974 1.00 0.00 N ATOM 759 CA ALA A 48 22.830 19.398 33.645 1.00 0.00 C ATOM 760 C ALA A 48 21.964 18.158 33.930 1.00 0.00 C ATOM 761 O ALA A 48 22.433 17.026 33.831 1.00 0.00 O ATOM 762 CB ALA A 48 23.416 20.001 34.923 1.00 0.00 C ATOM 0 H ALA A 48 21.989 21.310 33.496 1.00 0.00 H new ATOM 0 HA ALA A 48 23.642 19.055 33.004 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.002 19.245 35.446 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.057 20.844 34.667 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.607 20.344 35.568 1.00 0.00 H new ATOM 768 N LYS A 49 20.675 18.367 34.207 1.00 0.00 N ATOM 769 CA LYS A 49 19.689 17.302 34.485 1.00 0.00 C ATOM 770 C LYS A 49 19.269 16.537 33.227 1.00 0.00 C ATOM 771 O LYS A 49 19.274 15.307 33.223 1.00 0.00 O ATOM 772 CB LYS A 49 18.489 17.918 35.217 1.00 0.00 C ATOM 773 CG LYS A 49 18.864 18.247 36.674 1.00 0.00 C ATOM 774 CD LYS A 49 17.846 19.147 37.384 1.00 0.00 C ATOM 775 CE LYS A 49 18.375 19.402 38.801 1.00 0.00 C ATOM 776 NZ LYS A 49 17.437 20.183 39.634 1.00 0.00 N ATOM 0 H LYS A 49 20.271 19.303 34.247 1.00 0.00 H new ATOM 0 HA LYS A 49 20.156 16.554 35.125 1.00 0.00 H new ATOM 0 HB2 LYS A 49 18.167 18.824 34.704 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.648 17.225 35.198 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.965 17.317 37.233 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.839 18.735 36.688 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.722 20.086 36.845 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.868 18.668 37.419 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.574 18.447 39.286 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.325 19.932 38.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.755 20.166 40.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.408 21.166 39.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.486 19.767 39.569 1.00 0.00 H new ATOM 790 N LYS A 50 19.014 17.262 32.138 1.00 0.00 N ATOM 791 CA LYS A 50 18.799 16.751 30.774 1.00 0.00 C ATOM 792 C LYS A 50 19.986 15.922 30.266 1.00 0.00 C ATOM 793 O LYS A 50 19.779 14.811 29.776 1.00 0.00 O ATOM 794 CB LYS A 50 18.510 17.965 29.873 1.00 0.00 C ATOM 795 CG LYS A 50 18.428 17.679 28.362 1.00 0.00 C ATOM 796 CD LYS A 50 18.962 18.855 27.534 1.00 0.00 C ATOM 797 CE LYS A 50 20.485 18.956 27.667 1.00 0.00 C ATOM 798 NZ LYS A 50 21.077 19.844 26.633 1.00 0.00 N ATOM 0 H LYS A 50 18.947 18.279 32.181 1.00 0.00 H new ATOM 0 HA LYS A 50 17.954 16.063 30.763 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.568 18.412 30.190 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.288 18.710 30.040 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.000 16.781 28.130 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.393 17.479 28.085 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.690 18.723 26.487 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.499 19.783 27.869 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.738 19.334 28.657 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.923 17.961 27.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.109 19.884 26.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.858 19.470 25.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.679 20.800 26.728 1.00 0.00 H new ATOM 812 N LEU A 51 21.215 16.426 30.412 1.00 0.00 N ATOM 813 CA LEU A 51 22.436 15.719 29.996 1.00 0.00 C ATOM 814 C LEU A 51 22.781 14.547 30.922 1.00 0.00 C ATOM 815 O LEU A 51 23.284 13.525 30.454 1.00 0.00 O ATOM 816 CB LEU A 51 23.618 16.703 29.911 1.00 0.00 C ATOM 817 CG LEU A 51 23.699 17.339 28.516 1.00 0.00 C ATOM 818 CD1 LEU A 51 24.551 18.596 28.520 1.00 0.00 C ATOM 819 CD2 LEU A 51 24.311 16.396 27.492 1.00 0.00 C ATOM 0 H LEU A 51 21.395 17.341 30.824 1.00 0.00 H new ATOM 0 HA LEU A 51 22.243 15.298 29.009 1.00 0.00 H new ATOM 0 HB2 LEU A 51 23.503 17.482 30.665 1.00 0.00 H new ATOM 0 HB3 LEU A 51 24.549 16.180 30.132 1.00 0.00 H new ATOM 0 HG LEU A 51 22.669 17.573 28.247 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.584 19.016 27.515 1.00 0.00 H new ATOM 0 HD12 LEU A 51 24.119 19.326 29.205 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.562 18.349 28.843 1.00 0.00 H new ATOM 0 HD21 LEU A 51 24.348 16.888 26.520 1.00 0.00 H new ATOM 0 HD22 LEU A 51 25.321 16.128 27.802 1.00 0.00 H new ATOM 0 HD23 LEU A 51 23.703 15.494 27.419 1.00 0.00 H new ATOM 831 N ASN A 52 22.461 14.638 32.214 1.00 0.00 N ATOM 832 CA ASN A 52 22.497 13.474 33.095 1.00 0.00 C ATOM 833 C ASN A 52 21.473 12.413 32.634 1.00 0.00 C ATOM 834 O ASN A 52 21.771 11.221 32.673 1.00 0.00 O ATOM 835 CB ASN A 52 22.278 13.947 34.542 1.00 0.00 C ATOM 836 CG ASN A 52 22.355 12.808 35.535 1.00 0.00 C ATOM 837 OD1 ASN A 52 23.378 12.558 36.152 1.00 0.00 O ATOM 838 ND2 ASN A 52 21.271 12.106 35.722 1.00 0.00 N ATOM 0 H ASN A 52 22.175 15.504 32.671 1.00 0.00 H new ATOM 0 HA ASN A 52 23.470 12.984 33.049 1.00 0.00 H new ATOM 0 HB2 ASN A 52 23.027 14.697 34.794 1.00 0.00 H new ATOM 0 HB3 ASN A 52 21.304 14.430 34.621 1.00 0.00 H new ATOM 0 HD21 ASN A 52 21.271 11.336 36.391 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.424 12.327 35.199 1.00 0.00 H new ATOM 845 N ASP A 53 20.303 12.827 32.130 1.00 0.00 N ATOM 846 CA ASP A 53 19.272 11.916 31.613 1.00 0.00 C ATOM 847 C ASP A 53 19.623 11.260 30.265 1.00 0.00 C ATOM 848 O ASP A 53 19.272 10.112 30.004 1.00 0.00 O ATOM 849 CB ASP A 53 17.901 12.613 31.626 1.00 0.00 C ATOM 850 CG ASP A 53 16.820 11.848 30.861 1.00 0.00 C ATOM 851 OD1 ASP A 53 16.336 10.821 31.386 1.00 0.00 O ATOM 852 OD2 ASP A 53 16.417 12.281 29.755 1.00 0.00 O ATOM 0 H ASP A 53 20.043 13.811 32.069 1.00 0.00 H new ATOM 0 HA ASP A 53 19.222 11.064 32.291 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.579 12.745 32.659 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.004 13.609 31.195 1.00 0.00 H new ATOM 857 N ALA A 54 20.385 11.964 29.427 1.00 0.00 N ATOM 858 CA ALA A 54 20.929 11.452 28.167 1.00 0.00 C ATOM 859 C ALA A 54 22.064 10.426 28.366 1.00 0.00 C ATOM 860 O ALA A 54 22.336 9.612 27.477 1.00 0.00 O ATOM 861 CB ALA A 54 21.421 12.648 27.344 1.00 0.00 C ATOM 0 H ALA A 54 20.648 12.932 29.610 1.00 0.00 H new ATOM 0 HA ALA A 54 20.137 10.915 27.644 1.00 0.00 H new ATOM 0 HB1 ALA A 54 21.832 12.295 26.398 1.00 0.00 H new ATOM 0 HB2 ALA A 54 20.587 13.322 27.148 1.00 0.00 H new ATOM 0 HB3 ALA A 54 22.194 13.179 27.900 1.00 0.00 H new ATOM 867 N GLN A 55 22.725 10.452 29.531 1.00 0.00 N ATOM 868 CA GLN A 55 23.812 9.531 29.890 1.00 0.00 C ATOM 869 C GLN A 55 23.367 8.447 30.895 1.00 0.00 C ATOM 870 O GLN A 55 24.167 7.617 31.328 1.00 0.00 O ATOM 871 CB GLN A 55 25.032 10.349 30.339 1.00 0.00 C ATOM 872 CG GLN A 55 25.556 11.253 29.201 1.00 0.00 C ATOM 873 CD GLN A 55 26.853 11.953 29.569 1.00 0.00 C ATOM 874 OE1 GLN A 55 27.945 11.617 29.123 1.00 0.00 O ATOM 875 NE2 GLN A 55 26.811 12.856 30.517 1.00 0.00 N ATOM 0 H GLN A 55 22.515 11.128 30.265 1.00 0.00 H new ATOM 0 HA GLN A 55 24.106 8.956 29.012 1.00 0.00 H new ATOM 0 HB2 GLN A 55 24.764 10.963 31.199 1.00 0.00 H new ATOM 0 HB3 GLN A 55 25.824 9.675 30.664 1.00 0.00 H new ATOM 0 HG2 GLN A 55 25.712 10.652 28.305 1.00 0.00 H new ATOM 0 HG3 GLN A 55 24.800 11.999 28.956 1.00 0.00 H new ATOM 0 HE21 GLN A 55 25.913 13.150 30.902 1.00 0.00 H new ATOM 0 HE22 GLN A 55 27.676 13.265 30.870 1.00 0.00 H new ATOM 884 N ALA A 56 22.077 8.420 31.234 1.00 0.00 N ATOM 885 CA ALA A 56 21.415 7.366 31.980 1.00 0.00 C ATOM 886 C ALA A 56 21.494 5.988 31.278 1.00 0.00 C ATOM 887 O ALA A 56 21.651 5.910 30.051 1.00 0.00 O ATOM 888 CB ALA A 56 19.962 7.818 32.190 1.00 0.00 C ATOM 0 H ALA A 56 21.440 9.174 30.979 1.00 0.00 H new ATOM 0 HA ALA A 56 21.919 7.216 32.935 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.421 7.055 32.749 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.949 8.754 32.748 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.484 7.966 31.222 1.00 0.00 H new ATOM 894 N PRO A 57 21.380 4.887 32.042 1.00 0.00 N ATOM 895 CA PRO A 57 21.313 3.531 31.510 1.00 0.00 C ATOM 896 C PRO A 57 19.964 3.223 30.835 1.00 0.00 C ATOM 897 O PRO A 57 18.998 3.990 30.928 1.00 0.00 O ATOM 898 CB PRO A 57 21.559 2.628 32.723 1.00 0.00 C ATOM 899 CG PRO A 57 20.946 3.427 33.870 1.00 0.00 C ATOM 900 CD PRO A 57 21.305 4.863 33.494 1.00 0.00 C ATOM 0 HA PRO A 57 22.049 3.377 30.721 1.00 0.00 H new ATOM 0 HB2 PRO A 57 21.081 1.655 32.607 1.00 0.00 H new ATOM 0 HB3 PRO A 57 22.622 2.444 32.881 1.00 0.00 H new ATOM 0 HG2 PRO A 57 19.868 3.281 33.936 1.00 0.00 H new ATOM 0 HG3 PRO A 57 21.366 3.142 34.834 1.00 0.00 H new ATOM 0 HD2 PRO A 57 20.552 5.562 33.858 1.00 0.00 H new ATOM 0 HD3 PRO A 57 22.255 5.158 33.939 1.00 0.00 H new ATOM 908 N LYS A 58 19.886 2.064 30.176 1.00 0.00 N ATOM 909 CA LYS A 58 18.635 1.477 29.666 1.00 0.00 C ATOM 910 C LYS A 58 17.659 1.106 30.785 1.00 0.00 C ATOM 911 O LYS A 58 16.447 1.371 30.606 1.00 0.00 O ATOM 912 CB LYS A 58 18.953 0.310 28.712 1.00 0.00 C ATOM 913 CG LYS A 58 19.691 -0.869 29.373 1.00 0.00 C ATOM 914 CD LYS A 58 20.108 -1.953 28.369 1.00 0.00 C ATOM 915 CE LYS A 58 21.113 -1.485 27.305 1.00 0.00 C ATOM 916 NZ LYS A 58 22.427 -1.116 27.882 1.00 0.00 N ATOM 917 OXT LYS A 58 18.067 0.536 31.825 1.00 0.00 O ATOM 0 H LYS A 58 20.706 1.492 29.976 1.00 0.00 H new ATOM 0 HA LYS A 58 18.108 2.236 29.088 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.021 -0.056 28.282 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.559 0.686 27.887 1.00 0.00 H new ATOM 0 HG2 LYS A 58 20.578 -0.495 29.885 1.00 0.00 H new ATOM 0 HG3 LYS A 58 19.048 -1.313 30.133 1.00 0.00 H new ATOM 0 HD2 LYS A 58 20.542 -2.790 28.917 1.00 0.00 H new ATOM 0 HD3 LYS A 58 19.216 -2.328 27.868 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.253 -2.278 26.570 1.00 0.00 H new ATOM 0 HE3 LYS A 58 20.700 -0.627 26.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.066 -0.808 27.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 22.301 -0.341 28.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.837 -1.940 28.366 1.00 0.00 H new TER 931 LYS A 58