USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 923 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: B 21 ASN : amide:sc= -1.21 K(o=-6.8,f=-4.8) USER MOD Set 1.2: B 52 ASN : amide:sc= -5.55! C(o=-6.8!,f=-13!) USER MOD Set 2.1: B 39 SER OG : rot -81:sc= 1.06 USER MOD Set 2.2: B 40 GLN : amide:sc= 1.01 X(o=2.1,f=1.9) USER MOD Set 3.1: B 26 GLN : amide:sc= -10.4! C(o=-17!,f=-3.8!) USER MOD Set 3.2: B 55 GLN : amide:sc= -6.71! C(o=-17!,f=-4.3!) USER MOD Set 4.1: B 23 ASN : amide:sc= -7.8! C(o=-8.1!,f=-17!) USER MOD Set 4.2: B 24 SER OG : rot 180:sc= -0.316 USER MOD Set 5.1: B 1 VAL N :NH3+ 136:sc= -0.816 (180deg=-0.477) USER MOD Set 5.2: B 6 ASN : amide:sc= -5.56! C(o=-6.4!,f=-9.2!) USER MOD Set 6.1: A 21 ASN : amide:sc= -1.63 X(o=-10,f=-9.9) USER MOD Set 6.2: A 52 ASN : amide:sc= -8.38! C(o=-10!,f=-18!) USER MOD Set 7.1: A 26 GLN : amide:sc= -6.89! K(o=-17!,f=-3.5) USER MOD Set 7.2: A 55 GLN : amide:sc= -9.93! C(o=-17!,f=-3.5!) USER MOD Set 8.1: A 13 THR OG1 : rot 113:sc= -2.17 USER MOD Set 8.2: B 17 MET CE :methyl -122:sc= -11.4! (180deg=-12.2!) USER MOD Set 9.1: A 7 LYS NZ :NH3+ 172:sc= -1.35 (180deg=-1.6) USER MOD Set 9.2: B 7 LYS NZ :NH3+ -140:sc= 0.0235 (180deg=-0.51) USER MOD Single : A 1 VAL N :NH3+ 139:sc= -0.675 (180deg=-0.941) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -5.54! C(o=-5.5!,f=-12!) USER MOD Single : A 18 ASN : amide:sc= -5.41! K(o=-5.4!,f=-2.6) USER MOD Single : A 23 ASN : amide:sc= -0.727 K(o=-0.73,f=-10!) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= -0.0571 (180deg=-0.201) USER MOD Single : A 33 SER OG : rot 130:sc= -1.06 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.7) USER MOD Single : A 41 SER OG : rot -92:sc= 0.562 USER MOD Single : A 43 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.0011) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.981 (180deg=-1.34) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 0.696 (180deg=0.392) USER MOD Single : A 58 LYS NZ :NH3+ -148:sc= 1.67 (180deg=0.901) USER MOD Single : B 3 ASN : amide:sc= 0.587 K(o=0.59,f=-6.3!) USER MOD Single : B 4 LYS NZ :NH3+ -162:sc= 0.43 (180deg=0.11) USER MOD Single : B 32 ASN : amide:sc= -0.0238 K(o=-0.024,f=-1.1) USER MOD Single : B 33 SER OG : rot 89:sc= 0.184 USER MOD Single : B 41 SER OG : rot -109:sc= -3.58! USER MOD Single : B 43 ASN : amide:sc= -0.772 K(o=-0.77,f=-0.067) USER MOD Single : B 49 LYS NZ :NH3+ 157:sc= -2.45 (180deg=-2.99!) USER MOD Single : B 50 LYS NZ :NH3+ 159:sc= 0.702 (180deg=0.203) USER MOD Single : B 58 LYS NZ :NH3+ -138:sc= -0.74 (180deg=-2.52!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 3.698 -16.976 10.418 1.00 0.00 N ATOM 2 CA VAL A 1 3.294 -15.872 9.497 1.00 0.00 C ATOM 3 C VAL A 1 3.814 -16.165 8.088 1.00 0.00 C ATOM 4 O VAL A 1 4.521 -17.152 7.869 1.00 0.00 O ATOM 5 CB VAL A 1 3.865 -14.532 10.004 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.201 -14.153 11.334 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.386 -14.645 10.207 1.00 0.00 C ATOM 0 H1 VAL A 1 3.999 -16.575 11.329 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.891 -17.614 10.570 1.00 0.00 H new ATOM 0 H3 VAL A 1 4.486 -17.509 9.997 1.00 0.00 H new ATOM 0 HA VAL A 1 2.207 -15.803 9.470 1.00 0.00 H new ATOM 0 HB VAL A 1 3.659 -13.761 9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.608 -13.206 11.687 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.125 -14.054 11.188 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.397 -14.930 12.073 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.777 -13.693 10.565 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.598 -15.423 10.940 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.862 -14.899 9.260 1.00 0.00 H new ATOM 19 N ASP A 2 3.457 -15.295 7.145 1.00 0.00 N ATOM 20 CA ASP A 2 3.881 -15.442 5.753 1.00 0.00 C ATOM 21 C ASP A 2 4.165 -14.068 5.147 1.00 0.00 C ATOM 22 O ASP A 2 3.242 -13.282 4.914 1.00 0.00 O ATOM 23 CB ASP A 2 2.799 -16.177 4.939 1.00 0.00 C ATOM 24 CG ASP A 2 1.410 -15.593 5.222 1.00 0.00 C ATOM 25 OD1 ASP A 2 0.860 -15.896 6.268 1.00 0.00 O ATOM 26 OD2 ASP A 2 0.916 -14.855 4.385 1.00 0.00 O ATOM 0 H ASP A 2 2.873 -14.478 7.320 1.00 0.00 H new ATOM 0 HA ASP A 2 4.795 -16.034 5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.022 -16.097 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.809 -17.238 5.188 1.00 0.00 H new ATOM 31 N ASN A 3 5.452 -13.784 4.914 1.00 0.00 N ATOM 32 CA ASN A 3 5.869 -12.496 4.347 1.00 0.00 C ATOM 33 C ASN A 3 5.349 -11.354 5.225 1.00 0.00 C ATOM 34 O ASN A 3 4.680 -10.441 4.743 1.00 0.00 O ATOM 35 CB ASN A 3 5.346 -12.352 2.907 1.00 0.00 C ATOM 36 CG ASN A 3 5.753 -13.565 2.070 1.00 0.00 C ATOM 37 OD1 ASN A 3 6.918 -13.960 2.070 1.00 0.00 O ATOM 38 ND2 ASN A 3 4.853 -14.184 1.359 1.00 0.00 N ATOM 0 H ASN A 3 6.220 -14.426 5.109 1.00 0.00 H new ATOM 0 HA ASN A 3 6.958 -12.453 4.320 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.260 -12.255 2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.744 -11.442 2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.114 -14.997 0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.887 -13.855 1.360 1.00 0.00 H new ATOM 45 N LYS A 4 5.641 -11.443 6.526 1.00 0.00 N ATOM 46 CA LYS A 4 5.177 -10.448 7.495 1.00 0.00 C ATOM 47 C LYS A 4 5.559 -9.024 7.083 1.00 0.00 C ATOM 48 O LYS A 4 4.728 -8.130 7.146 1.00 0.00 O ATOM 49 CB LYS A 4 5.768 -10.766 8.873 1.00 0.00 C ATOM 50 CG LYS A 4 5.127 -9.872 9.941 1.00 0.00 C ATOM 51 CD LYS A 4 5.606 -10.316 11.329 1.00 0.00 C ATOM 52 CE LYS A 4 7.044 -9.840 11.565 1.00 0.00 C ATOM 53 NZ LYS A 4 7.439 -10.137 12.972 1.00 0.00 N ATOM 0 H LYS A 4 6.197 -12.195 6.932 1.00 0.00 H new ATOM 0 HA LYS A 4 4.089 -10.497 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.599 -11.815 9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.847 -10.612 8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.395 -8.830 9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.041 -9.936 9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.949 -9.908 12.097 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.556 -11.402 11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.722 -10.338 10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.121 -8.770 11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.414 -9.815 13.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.798 -9.642 13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.380 -11.162 13.140 1.00 0.00 H new ATOM 67 N PHE A 5 6.804 -8.821 6.658 1.00 0.00 N ATOM 68 CA PHE A 5 7.261 -7.493 6.235 1.00 0.00 C ATOM 69 C PHE A 5 6.379 -6.964 5.118 1.00 0.00 C ATOM 70 O PHE A 5 5.894 -5.846 5.182 1.00 0.00 O ATOM 71 CB PHE A 5 8.681 -7.589 5.699 1.00 0.00 C ATOM 72 CG PHE A 5 9.578 -6.535 6.303 1.00 0.00 C ATOM 73 CD1 PHE A 5 10.084 -6.721 7.596 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.935 -5.391 5.563 1.00 0.00 C ATOM 75 CE1 PHE A 5 10.943 -5.775 8.155 1.00 0.00 C ATOM 76 CE2 PHE A 5 10.795 -4.443 6.134 1.00 0.00 C ATOM 77 CZ PHE A 5 11.299 -4.639 7.427 1.00 0.00 C ATOM 0 H PHE A 5 7.513 -9.552 6.596 1.00 0.00 H new ATOM 0 HA PHE A 5 7.217 -6.826 7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.085 -8.578 5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.669 -7.479 4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.808 -7.599 8.161 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.550 -5.246 4.565 1.00 0.00 H new ATOM 0 HE1 PHE A 5 11.333 -5.922 9.151 1.00 0.00 H new ATOM 0 HE2 PHE A 5 11.070 -3.560 5.577 1.00 0.00 H new ATOM 0 HZ PHE A 5 11.965 -3.908 7.861 1.00 0.00 H new ATOM 87 N ASN A 6 6.184 -7.798 4.096 1.00 0.00 N ATOM 88 CA ASN A 6 5.353 -7.441 2.957 1.00 0.00 C ATOM 89 C ASN A 6 3.928 -7.226 3.419 1.00 0.00 C ATOM 90 O ASN A 6 3.270 -6.264 3.038 1.00 0.00 O ATOM 91 CB ASN A 6 5.401 -8.583 1.948 1.00 0.00 C ATOM 92 CG ASN A 6 4.604 -8.257 0.694 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.724 -7.171 0.159 1.00 0.00 O ATOM 94 ND2 ASN A 6 3.793 -9.149 0.196 1.00 0.00 N ATOM 0 H ASN A 6 6.595 -8.730 4.039 1.00 0.00 H new ATOM 0 HA ASN A 6 5.718 -6.523 2.497 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.437 -8.787 1.678 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.006 -9.490 2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.256 -8.937 -0.645 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.695 -10.058 0.648 1.00 0.00 H new ATOM 101 N LYS A 7 3.480 -8.124 4.283 1.00 0.00 N ATOM 102 CA LYS A 7 2.154 -8.047 4.840 1.00 0.00 C ATOM 103 C LYS A 7 2.031 -6.718 5.576 1.00 0.00 C ATOM 104 O LYS A 7 1.035 -6.013 5.478 1.00 0.00 O ATOM 105 CB LYS A 7 1.960 -9.233 5.804 1.00 0.00 C ATOM 106 CG LYS A 7 0.473 -9.482 6.064 1.00 0.00 C ATOM 107 CD LYS A 7 0.288 -10.822 6.792 1.00 0.00 C ATOM 108 CE LYS A 7 0.038 -11.936 5.771 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.136 -13.229 6.487 1.00 0.00 N ATOM 0 H LYS A 7 4.028 -8.919 4.611 1.00 0.00 H new ATOM 0 HA LYS A 7 1.388 -8.099 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.415 -10.129 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.470 -9.030 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.059 -8.672 6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.074 -9.492 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.174 -11.050 7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.550 -10.757 7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.850 -11.711 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.875 -12.002 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.439 -13.961 5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.767 -13.510 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.857 -13.121 7.228 1.00 0.00 H new ATOM 123 N GLU A 8 3.084 -6.384 6.300 1.00 0.00 N ATOM 124 CA GLU A 8 3.133 -5.147 7.061 1.00 0.00 C ATOM 125 C GLU A 8 3.311 -3.912 6.176 1.00 0.00 C ATOM 126 O GLU A 8 2.643 -2.898 6.365 1.00 0.00 O ATOM 127 CB GLU A 8 4.274 -5.229 8.078 1.00 0.00 C ATOM 128 CG GLU A 8 3.870 -6.127 9.263 1.00 0.00 C ATOM 129 CD GLU A 8 2.600 -5.597 9.939 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.601 -4.446 10.347 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.645 -6.350 10.030 1.00 0.00 O ATOM 0 H GLU A 8 3.924 -6.957 6.378 1.00 0.00 H new ATOM 0 HA GLU A 8 2.175 -5.034 7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.169 -5.627 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.522 -4.230 8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.703 -7.146 8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.683 -6.168 9.988 1.00 0.00 H new ATOM 138 N LEU A 9 4.200 -4.032 5.208 1.00 0.00 N ATOM 139 CA LEU A 9 4.485 -2.959 4.252 1.00 0.00 C ATOM 140 C LEU A 9 3.206 -2.615 3.528 1.00 0.00 C ATOM 141 O LEU A 9 2.904 -1.446 3.303 1.00 0.00 O ATOM 142 CB LEU A 9 5.563 -3.458 3.280 1.00 0.00 C ATOM 143 CG LEU A 9 5.753 -2.477 2.117 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.459 -1.192 2.544 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.595 -3.139 1.056 1.00 0.00 C ATOM 0 H LEU A 9 4.751 -4.877 5.055 1.00 0.00 H new ATOM 0 HA LEU A 9 4.852 -2.062 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.506 -3.584 3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.282 -4.437 2.892 1.00 0.00 H new ATOM 0 HG LEU A 9 4.762 -2.215 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.568 -0.533 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.870 -0.691 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.444 -1.433 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.737 -2.451 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.565 -3.407 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.092 -4.039 0.702 1.00 0.00 H new ATOM 157 N GLY A 10 2.438 -3.640 3.215 1.00 0.00 N ATOM 158 CA GLY A 10 1.180 -3.444 2.573 1.00 0.00 C ATOM 159 C GLY A 10 0.177 -2.879 3.551 1.00 0.00 C ATOM 160 O GLY A 10 -0.664 -2.056 3.201 1.00 0.00 O ATOM 0 H GLY A 10 2.675 -4.614 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.297 -2.765 1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.816 -4.391 2.174 1.00 0.00 H new ATOM 164 N TRP A 11 0.233 -3.359 4.781 1.00 0.00 N ATOM 165 CA TRP A 11 -0.717 -2.904 5.761 1.00 0.00 C ATOM 166 C TRP A 11 -0.534 -1.485 6.189 1.00 0.00 C ATOM 167 O TRP A 11 -1.499 -0.716 6.178 1.00 0.00 O ATOM 168 CB TRP A 11 -0.798 -3.830 6.952 1.00 0.00 C ATOM 169 CG TRP A 11 -2.246 -3.931 7.356 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.656 -4.075 8.614 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.474 -3.870 6.528 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.039 -4.140 8.638 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.586 -4.008 7.380 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.734 -3.721 5.140 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.893 -3.993 6.889 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.030 -3.704 4.645 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.119 -3.838 5.516 1.00 0.00 C ATOM 0 H TRP A 11 0.910 -4.046 5.112 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.676 -2.932 5.243 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.402 -4.814 6.699 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.197 -3.446 7.776 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.012 -4.132 9.479 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.589 -4.270 9.487 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.905 -3.619 4.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.727 -4.101 7.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.200 -3.587 3.585 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.128 -3.822 5.130 1.00 0.00 H new ATOM 188 N ALA A 12 0.667 -1.120 6.562 1.00 0.00 N ATOM 189 CA ALA A 12 0.886 0.234 6.978 1.00 0.00 C ATOM 190 C ALA A 12 0.461 1.162 5.830 1.00 0.00 C ATOM 191 O ALA A 12 -0.160 2.192 6.055 1.00 0.00 O ATOM 192 CB ALA A 12 2.351 0.432 7.357 1.00 0.00 C ATOM 0 H ALA A 12 1.487 -1.727 6.585 1.00 0.00 H new ATOM 0 HA ALA A 12 0.292 0.470 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.509 1.463 7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.609 -0.241 8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.982 0.215 6.495 1.00 0.00 H new ATOM 198 N THR A 13 0.741 0.725 4.594 1.00 0.00 N ATOM 199 CA THR A 13 0.342 1.457 3.390 1.00 0.00 C ATOM 200 C THR A 13 -1.169 1.686 3.375 1.00 0.00 C ATOM 201 O THR A 13 -1.623 2.799 3.136 1.00 0.00 O ATOM 202 CB THR A 13 0.767 0.624 2.178 1.00 0.00 C ATOM 203 OG1 THR A 13 2.166 0.727 2.023 1.00 0.00 O ATOM 204 CG2 THR A 13 0.071 1.095 0.904 1.00 0.00 C ATOM 0 H THR A 13 1.247 -0.140 4.404 1.00 0.00 H new ATOM 0 HA THR A 13 0.822 2.435 3.367 1.00 0.00 H new ATOM 0 HB THR A 13 0.478 -0.413 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.579 -0.145 2.195 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.396 0.482 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.008 1.003 1.024 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.328 2.137 0.713 1.00 0.00 H new ATOM 212 N TRP A 14 -1.923 0.624 3.650 1.00 0.00 N ATOM 213 CA TRP A 14 -3.390 0.683 3.679 1.00 0.00 C ATOM 214 C TRP A 14 -3.899 1.586 4.783 1.00 0.00 C ATOM 215 O TRP A 14 -4.801 2.384 4.577 1.00 0.00 O ATOM 216 CB TRP A 14 -3.907 -0.708 3.970 1.00 0.00 C ATOM 217 CG TRP A 14 -5.369 -0.856 3.662 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.348 -0.896 4.595 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.032 -1.029 2.376 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.547 -1.164 3.980 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.408 -1.250 2.618 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.592 -1.047 1.038 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.293 -1.492 1.584 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.482 -1.281 0.011 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.821 -1.513 0.278 1.00 0.00 C ATOM 0 H TRP A 14 -1.541 -0.299 3.858 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.732 1.070 2.719 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.341 -1.432 3.384 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.735 -0.943 5.020 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.209 -0.742 5.655 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.431 -1.284 4.475 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.549 -0.876 0.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.339 -1.663 1.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.132 -1.283 -1.011 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.503 -1.712 -0.535 1.00 0.00 H new ATOM 236 N GLU A 15 -3.326 1.421 5.966 1.00 0.00 N ATOM 237 CA GLU A 15 -3.739 2.198 7.120 1.00 0.00 C ATOM 238 C GLU A 15 -3.524 3.684 6.842 1.00 0.00 C ATOM 239 O GLU A 15 -4.369 4.514 7.181 1.00 0.00 O ATOM 240 CB GLU A 15 -2.956 1.714 8.342 1.00 0.00 C ATOM 241 CG GLU A 15 -3.338 0.246 8.634 1.00 0.00 C ATOM 242 CD GLU A 15 -2.380 -0.354 9.660 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.605 -0.155 10.843 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.434 -1.008 9.246 1.00 0.00 O ATOM 0 H GLU A 15 -2.575 0.756 6.150 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.801 2.060 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.885 1.795 8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.180 2.340 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.361 0.196 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.307 -0.336 7.713 1.00 0.00 H new ATOM 251 N ILE A 16 -2.425 3.995 6.151 1.00 0.00 N ATOM 252 CA ILE A 16 -2.132 5.371 5.743 1.00 0.00 C ATOM 253 C ILE A 16 -3.139 5.776 4.657 1.00 0.00 C ATOM 254 O ILE A 16 -3.623 6.907 4.612 1.00 0.00 O ATOM 255 CB ILE A 16 -0.700 5.443 5.161 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.338 5.086 6.235 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.402 6.850 4.635 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.707 4.831 5.583 1.00 0.00 C ATOM 0 H ILE A 16 -1.724 3.313 5.862 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.206 6.041 6.600 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.639 4.727 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.417 5.897 6.959 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.016 4.200 6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.609 6.880 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.115 7.104 3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.488 7.569 5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.436 4.579 6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.625 4.005 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.032 5.728 5.056 1.00 0.00 H new ATOM 270 N PHE A 17 -3.427 4.805 3.790 1.00 0.00 N ATOM 271 CA PHE A 17 -4.359 4.963 2.671 1.00 0.00 C ATOM 272 C PHE A 17 -5.783 5.215 3.175 1.00 0.00 C ATOM 273 O PHE A 17 -6.537 5.992 2.586 1.00 0.00 O ATOM 274 CB PHE A 17 -4.338 3.657 1.860 1.00 0.00 C ATOM 275 CG PHE A 17 -4.595 3.890 0.394 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.528 4.202 -0.462 1.00 0.00 C ATOM 277 CD2 PHE A 17 -5.885 3.744 -0.121 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.756 4.371 -1.823 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.111 3.908 -1.488 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.047 4.221 -2.337 1.00 0.00 C ATOM 0 H PHE A 17 -3.014 3.874 3.845 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.058 5.816 2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.371 3.170 1.984 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.091 2.975 2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.530 4.311 -0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.706 3.504 0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.937 4.618 -2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.107 3.793 -1.889 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.223 4.348 -3.395 1.00 0.00 H new ATOM 290 N ASN A 18 -6.141 4.510 4.248 1.00 0.00 N ATOM 291 CA ASN A 18 -7.477 4.591 4.837 1.00 0.00 C ATOM 292 C ASN A 18 -7.603 5.710 5.878 1.00 0.00 C ATOM 293 O ASN A 18 -8.652 5.829 6.518 1.00 0.00 O ATOM 294 CB ASN A 18 -7.823 3.243 5.498 1.00 0.00 C ATOM 295 CG ASN A 18 -8.033 2.150 4.445 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.027 1.425 4.496 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.157 1.979 3.496 1.00 0.00 N ATOM 0 H ASN A 18 -5.514 3.868 4.733 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.172 4.821 4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.021 2.950 6.176 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.725 3.351 6.100 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.296 1.247 2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.332 2.577 3.450 1.00 0.00 H new ATOM 304 N LEU A 19 -6.563 6.536 6.054 1.00 0.00 N ATOM 305 CA LEU A 19 -6.652 7.617 7.036 1.00 0.00 C ATOM 306 C LEU A 19 -7.648 8.672 6.550 1.00 0.00 C ATOM 307 O LEU A 19 -7.677 8.993 5.360 1.00 0.00 O ATOM 308 CB LEU A 19 -5.292 8.265 7.289 1.00 0.00 C ATOM 309 CG LEU A 19 -4.603 7.594 8.490 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.209 8.149 8.613 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.343 7.892 9.797 1.00 0.00 C ATOM 0 H LEU A 19 -5.680 6.479 5.547 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.995 7.188 7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.666 8.172 6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.418 9.331 7.481 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.597 6.517 8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.706 7.684 9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.652 7.939 7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.259 9.227 8.768 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.830 7.403 10.625 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.362 8.969 9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.364 7.517 9.731 1.00 0.00 H new ATOM 323 N PRO A 20 -8.482 9.188 7.426 1.00 0.00 N ATOM 324 CA PRO A 20 -9.522 10.191 7.060 1.00 0.00 C ATOM 325 C PRO A 20 -9.032 11.636 6.863 1.00 0.00 C ATOM 326 O PRO A 20 -9.880 12.527 6.760 1.00 0.00 O ATOM 327 CB PRO A 20 -10.524 10.121 8.233 1.00 0.00 C ATOM 328 CG PRO A 20 -10.023 9.081 9.178 1.00 0.00 C ATOM 329 CD PRO A 20 -8.554 8.889 8.864 1.00 0.00 C ATOM 0 HA PRO A 20 -9.932 9.944 6.081 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.602 11.088 8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.521 9.866 7.873 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.161 9.397 10.212 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.572 8.147 9.054 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.925 9.561 9.448 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.224 7.873 9.082 1.00 0.00 H new ATOM 337 N ASN A 21 -7.710 11.909 6.813 1.00 0.00 N ATOM 338 CA ASN A 21 -7.294 13.324 6.637 1.00 0.00 C ATOM 339 C ASN A 21 -6.045 13.506 5.773 1.00 0.00 C ATOM 340 O ASN A 21 -5.650 14.644 5.505 1.00 0.00 O ATOM 341 CB ASN A 21 -7.071 13.996 8.000 1.00 0.00 C ATOM 342 CG ASN A 21 -8.357 13.996 8.823 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.318 14.683 8.476 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.433 13.269 9.903 1.00 0.00 N ATOM 0 H ASN A 21 -6.957 11.225 6.886 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.116 13.802 6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.286 13.472 8.545 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.728 15.020 7.853 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.288 13.270 10.459 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.637 12.699 10.191 1.00 0.00 H new ATOM 351 N LEU A 22 -5.429 12.417 5.328 1.00 0.00 N ATOM 352 CA LEU A 22 -4.232 12.532 4.486 1.00 0.00 C ATOM 353 C LEU A 22 -4.601 12.817 3.040 1.00 0.00 C ATOM 354 O LEU A 22 -5.664 12.402 2.571 1.00 0.00 O ATOM 355 CB LEU A 22 -3.408 11.251 4.555 1.00 0.00 C ATOM 356 CG LEU A 22 -2.963 11.016 5.998 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.234 9.691 6.093 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.013 12.126 6.447 1.00 0.00 C ATOM 0 H LEU A 22 -5.726 11.462 5.527 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.641 13.366 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.998 10.405 4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.539 11.328 3.902 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.846 11.010 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.917 9.523 7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.900 8.886 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.360 9.709 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.704 11.946 7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.135 12.137 5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.522 13.088 6.384 1.00 0.00 H new ATOM 370 N ASN A 23 -3.705 13.515 2.332 1.00 0.00 N ATOM 371 CA ASN A 23 -3.942 13.833 0.929 1.00 0.00 C ATOM 372 C ASN A 23 -3.149 12.873 0.052 1.00 0.00 C ATOM 373 O ASN A 23 -2.259 12.169 0.538 1.00 0.00 O ATOM 374 CB ASN A 23 -3.579 15.301 0.626 1.00 0.00 C ATOM 375 CG ASN A 23 -2.068 15.533 0.646 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.337 14.844 1.348 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.558 16.480 -0.090 1.00 0.00 N ATOM 0 H ASN A 23 -2.822 13.864 2.706 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.003 13.714 0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.975 15.578 -0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.055 15.951 1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.552 16.647 -0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.165 17.054 -0.675 1.00 0.00 H new ATOM 384 N GLY A 24 -3.493 12.834 -1.229 1.00 0.00 N ATOM 385 CA GLY A 24 -2.834 11.936 -2.172 1.00 0.00 C ATOM 386 C GLY A 24 -1.312 12.012 -2.077 1.00 0.00 C ATOM 387 O GLY A 24 -0.636 11.005 -2.257 1.00 0.00 O ATOM 0 H GLY A 24 -4.225 13.414 -1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.157 10.912 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.145 12.186 -3.186 1.00 0.00 H new ATOM 391 N VAL A 25 -0.780 13.203 -1.803 1.00 0.00 N ATOM 392 CA VAL A 25 0.670 13.380 -1.709 1.00 0.00 C ATOM 393 C VAL A 25 1.243 12.776 -0.434 1.00 0.00 C ATOM 394 O VAL A 25 2.221 12.031 -0.504 1.00 0.00 O ATOM 395 CB VAL A 25 1.024 14.863 -1.810 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.533 15.050 -1.603 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.639 15.358 -3.207 1.00 0.00 C ATOM 0 H VAL A 25 -1.324 14.051 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 25 1.122 12.845 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 25 0.487 15.427 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.782 16.109 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.814 14.678 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.077 14.496 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.884 16.416 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.189 14.792 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.431 15.219 -3.360 1.00 0.00 H new ATOM 407 N GLN A 26 0.655 13.083 0.727 1.00 0.00 N ATOM 408 CA GLN A 26 1.170 12.531 1.971 1.00 0.00 C ATOM 409 C GLN A 26 1.090 11.017 1.949 1.00 0.00 C ATOM 410 O GLN A 26 2.049 10.341 2.315 1.00 0.00 O ATOM 411 CB GLN A 26 0.419 13.100 3.170 1.00 0.00 C ATOM 412 CG GLN A 26 1.182 14.328 3.694 1.00 0.00 C ATOM 413 CD GLN A 26 0.203 15.379 4.173 1.00 0.00 C ATOM 414 OE1 GLN A 26 0.003 16.402 3.520 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.424 15.174 5.278 1.00 0.00 N ATOM 0 H GLN A 26 -0.156 13.694 0.826 1.00 0.00 H new ATOM 0 HA GLN A 26 2.217 12.818 2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.595 13.380 2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.332 12.347 3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.842 14.035 4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.813 14.739 2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.251 14.322 5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.094 15.863 5.620 1.00 0.00 H new ATOM 424 N VAL A 27 -0.036 10.486 1.473 1.00 0.00 N ATOM 425 CA VAL A 27 -0.191 9.039 1.380 1.00 0.00 C ATOM 426 C VAL A 27 0.866 8.487 0.427 1.00 0.00 C ATOM 427 O VAL A 27 1.535 7.502 0.735 1.00 0.00 O ATOM 428 CB VAL A 27 -1.597 8.669 0.889 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.711 7.143 0.795 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.647 9.195 1.879 1.00 0.00 C ATOM 0 H VAL A 27 -0.839 11.026 1.152 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.059 8.601 2.369 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.769 9.116 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.708 6.873 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.967 6.765 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.539 6.704 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.644 8.930 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.478 8.749 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.565 10.279 1.954 1.00 0.00 H new ATOM 440 N LYS A 28 1.031 9.161 -0.715 1.00 0.00 N ATOM 441 CA LYS A 28 2.034 8.769 -1.698 1.00 0.00 C ATOM 442 C LYS A 28 3.432 8.855 -1.106 1.00 0.00 C ATOM 443 O LYS A 28 4.299 8.065 -1.455 1.00 0.00 O ATOM 444 CB LYS A 28 1.942 9.639 -2.963 1.00 0.00 C ATOM 445 CG LYS A 28 0.908 9.031 -3.919 1.00 0.00 C ATOM 446 CD LYS A 28 1.002 9.697 -5.296 1.00 0.00 C ATOM 447 CE LYS A 28 0.415 11.111 -5.251 1.00 0.00 C ATOM 448 NZ LYS A 28 -1.065 11.033 -5.098 1.00 0.00 N ATOM 0 H LYS A 28 0.481 9.979 -0.977 1.00 0.00 H new ATOM 0 HA LYS A 28 1.835 7.735 -1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.656 10.657 -2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.915 9.698 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.077 7.958 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.095 9.161 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.043 9.740 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.467 9.098 -6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.848 11.669 -4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.668 11.650 -6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.471 11.989 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.462 10.445 -5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.297 10.611 -4.176 1.00 0.00 H new ATOM 462 N ALA A 29 3.642 9.829 -0.222 1.00 0.00 N ATOM 463 CA ALA A 29 4.938 10.019 0.410 1.00 0.00 C ATOM 464 C ALA A 29 5.212 8.912 1.395 1.00 0.00 C ATOM 465 O ALA A 29 6.309 8.355 1.429 1.00 0.00 O ATOM 466 CB ALA A 29 4.963 11.339 1.151 1.00 0.00 C ATOM 0 H ALA A 29 2.928 10.497 0.070 1.00 0.00 H new ATOM 0 HA ALA A 29 5.700 10.012 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.937 11.474 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.783 12.154 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.187 11.341 1.916 1.00 0.00 H new ATOM 472 N PHE A 30 4.195 8.582 2.182 1.00 0.00 N ATOM 473 CA PHE A 30 4.317 7.528 3.140 1.00 0.00 C ATOM 474 C PHE A 30 4.532 6.246 2.372 1.00 0.00 C ATOM 475 O PHE A 30 5.378 5.431 2.735 1.00 0.00 O ATOM 476 CB PHE A 30 3.066 7.452 4.009 1.00 0.00 C ATOM 477 CG PHE A 30 2.891 8.741 4.802 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.972 9.284 5.522 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.646 9.401 4.818 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.806 10.465 6.240 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.494 10.579 5.542 1.00 0.00 C ATOM 482 CZ PHE A 30 2.569 11.109 6.251 1.00 0.00 C ATOM 0 H PHE A 30 3.283 9.038 2.164 1.00 0.00 H new ATOM 0 HA PHE A 30 5.158 7.706 3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.190 7.281 3.383 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.140 6.605 4.691 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.930 8.785 5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.811 8.993 4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.636 10.883 6.789 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.539 11.084 5.554 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.444 12.023 6.812 1.00 0.00 H new ATOM 492 N ILE A 31 3.805 6.117 1.253 1.00 0.00 N ATOM 493 CA ILE A 31 3.971 4.967 0.392 1.00 0.00 C ATOM 494 C ILE A 31 5.383 4.960 -0.140 1.00 0.00 C ATOM 495 O ILE A 31 6.060 3.959 -0.065 1.00 0.00 O ATOM 496 CB ILE A 31 2.971 4.975 -0.790 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.594 4.486 -0.290 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.486 4.056 -1.934 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.546 4.584 -1.402 1.00 0.00 C ATOM 0 H ILE A 31 3.109 6.792 0.937 1.00 0.00 H new ATOM 0 HA ILE A 31 3.774 4.070 0.979 1.00 0.00 H new ATOM 0 HB ILE A 31 2.876 5.988 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.672 3.454 0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.280 5.083 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.775 4.070 -2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.454 4.417 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.591 3.037 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.416 4.234 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.454 5.621 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.853 3.967 -2.246 1.00 0.00 H new ATOM 511 N ASP A 32 5.809 6.093 -0.670 1.00 0.00 N ATOM 512 CA ASP A 32 7.145 6.208 -1.242 1.00 0.00 C ATOM 513 C ASP A 32 8.212 5.837 -0.229 1.00 0.00 C ATOM 514 O ASP A 32 9.156 5.109 -0.540 1.00 0.00 O ATOM 515 CB ASP A 32 7.375 7.634 -1.756 1.00 0.00 C ATOM 516 CG ASP A 32 8.696 7.707 -2.521 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.693 7.392 -3.700 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.691 8.071 -1.915 1.00 0.00 O ATOM 0 H ASP A 32 5.253 6.947 -0.718 1.00 0.00 H new ATOM 0 HA ASP A 32 7.218 5.510 -2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.552 7.932 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.390 8.333 -0.920 1.00 0.00 H new ATOM 523 N SER A 33 8.031 6.320 0.982 1.00 0.00 N ATOM 524 CA SER A 33 8.951 6.026 2.068 1.00 0.00 C ATOM 525 C SER A 33 8.863 4.541 2.429 1.00 0.00 C ATOM 526 O SER A 33 9.862 3.910 2.768 1.00 0.00 O ATOM 527 CB SER A 33 8.606 6.898 3.270 1.00 0.00 C ATOM 528 OG SER A 33 9.590 6.705 4.278 1.00 0.00 O ATOM 0 H SER A 33 7.250 6.922 1.243 1.00 0.00 H new ATOM 0 HA SER A 33 9.973 6.244 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.569 7.947 2.976 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.619 6.639 3.653 1.00 0.00 H new ATOM 0 HG SER A 33 9.918 7.576 4.586 1.00 0.00 H new ATOM 534 N LEU A 34 7.650 4.002 2.314 1.00 0.00 N ATOM 535 CA LEU A 34 7.372 2.588 2.577 1.00 0.00 C ATOM 536 C LEU A 34 8.141 1.713 1.584 1.00 0.00 C ATOM 537 O LEU A 34 8.874 0.809 1.973 1.00 0.00 O ATOM 538 CB LEU A 34 5.871 2.371 2.386 1.00 0.00 C ATOM 539 CG LEU A 34 5.136 2.285 3.719 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.890 3.170 3.709 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.711 0.847 3.934 1.00 0.00 C ATOM 0 H LEU A 34 6.827 4.536 2.034 1.00 0.00 H new ATOM 0 HA LEU A 34 7.679 2.321 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.458 3.189 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.706 1.454 1.820 1.00 0.00 H new ATOM 0 HG LEU A 34 5.798 2.624 4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.381 3.093 4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.181 4.206 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.218 2.843 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.182 0.762 4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.052 0.537 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.592 0.206 3.951 1.00 0.00 H new ATOM 553 N ARG A 35 7.970 2.007 0.300 1.00 0.00 N ATOM 554 CA ARG A 35 8.666 1.255 -0.769 1.00 0.00 C ATOM 555 C ARG A 35 10.175 1.421 -0.608 1.00 0.00 C ATOM 556 O ARG A 35 10.934 0.454 -0.688 1.00 0.00 O ATOM 557 CB ARG A 35 8.273 1.749 -2.184 1.00 0.00 C ATOM 558 CG ARG A 35 7.105 2.732 -2.096 1.00 0.00 C ATOM 559 CD ARG A 35 6.518 3.124 -3.460 1.00 0.00 C ATOM 560 NE ARG A 35 7.260 2.533 -4.553 1.00 0.00 N ATOM 561 CZ ARG A 35 6.845 1.427 -5.145 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.221 0.520 -4.449 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.048 1.259 -6.414 1.00 0.00 N ATOM 0 H ARG A 35 7.362 2.753 -0.037 1.00 0.00 H new ATOM 0 HA ARG A 35 8.370 0.210 -0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.128 2.230 -2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.997 0.900 -2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.317 2.291 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.439 3.634 -1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.477 2.806 -3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.525 4.209 -3.561 1.00 0.00 H new ATOM 0 HE ARG A 35 8.120 2.979 -4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.055 0.666 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.898 -0.336 -4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.527 1.980 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.729 0.406 -6.873 1.00 0.00 H new ATOM 577 N ASP A 36 10.587 2.668 -0.364 1.00 0.00 N ATOM 578 CA ASP A 36 11.994 3.001 -0.171 1.00 0.00 C ATOM 579 C ASP A 36 12.534 2.287 1.059 1.00 0.00 C ATOM 580 O ASP A 36 13.696 1.879 1.100 1.00 0.00 O ATOM 581 CB ASP A 36 12.149 4.508 0.000 1.00 0.00 C ATOM 582 CG ASP A 36 13.629 4.891 0.042 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.209 5.058 -1.017 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.159 5.009 1.135 1.00 0.00 O ATOM 0 H ASP A 36 9.957 3.467 -0.296 1.00 0.00 H new ATOM 0 HA ASP A 36 12.558 2.678 -1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.656 5.026 -0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.658 4.828 0.919 1.00 0.00 H new ATOM 589 N ASP A 37 11.665 2.145 2.053 1.00 0.00 N ATOM 590 CA ASP A 37 12.023 1.483 3.299 1.00 0.00 C ATOM 591 C ASP A 37 10.778 0.915 3.970 1.00 0.00 C ATOM 592 O ASP A 37 10.041 1.631 4.656 1.00 0.00 O ATOM 593 CB ASP A 37 12.741 2.460 4.241 1.00 0.00 C ATOM 594 CG ASP A 37 13.368 1.699 5.411 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.622 1.141 6.197 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.583 1.685 5.503 1.00 0.00 O ATOM 0 H ASP A 37 10.703 2.482 2.018 1.00 0.00 H new ATOM 0 HA ASP A 37 12.703 0.662 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.513 3.003 3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.035 3.201 4.616 1.00 0.00 H new ATOM 601 N PRO A 38 10.528 -0.358 3.774 1.00 0.00 N ATOM 602 CA PRO A 38 9.347 -1.037 4.360 1.00 0.00 C ATOM 603 C PRO A 38 9.448 -1.184 5.873 1.00 0.00 C ATOM 604 O PRO A 38 8.435 -1.234 6.568 1.00 0.00 O ATOM 605 CB PRO A 38 9.298 -2.397 3.671 1.00 0.00 C ATOM 606 CG PRO A 38 10.438 -2.466 2.705 1.00 0.00 C ATOM 607 CD PRO A 38 11.351 -1.280 2.976 1.00 0.00 C ATOM 0 HA PRO A 38 8.438 -0.457 4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.371 -3.199 4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.349 -2.527 3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.983 -3.402 2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.071 -2.439 1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.246 -1.584 3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.683 -0.814 2.048 1.00 0.00 H new ATOM 615 N SER A 39 10.676 -1.231 6.379 1.00 0.00 N ATOM 616 CA SER A 39 10.898 -1.340 7.817 1.00 0.00 C ATOM 617 C SER A 39 10.294 -0.122 8.499 1.00 0.00 C ATOM 618 O SER A 39 9.852 -0.183 9.648 1.00 0.00 O ATOM 619 CB SER A 39 12.398 -1.412 8.126 1.00 0.00 C ATOM 620 OG SER A 39 12.581 -1.906 9.446 1.00 0.00 O ATOM 0 H SER A 39 11.528 -1.196 5.819 1.00 0.00 H new ATOM 0 HA SER A 39 10.426 -2.251 8.186 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.898 -2.063 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.849 -0.425 8.029 1.00 0.00 H new ATOM 0 HG SER A 39 13.539 -1.955 9.647 1.00 0.00 H new ATOM 626 N GLN A 40 10.284 0.985 7.757 1.00 0.00 N ATOM 627 CA GLN A 40 9.743 2.241 8.246 1.00 0.00 C ATOM 628 C GLN A 40 8.230 2.318 8.032 1.00 0.00 C ATOM 629 O GLN A 40 7.605 3.289 8.420 1.00 0.00 O ATOM 630 CB GLN A 40 10.422 3.417 7.520 1.00 0.00 C ATOM 631 CG GLN A 40 11.502 4.038 8.415 1.00 0.00 C ATOM 632 CD GLN A 40 12.741 3.147 8.455 1.00 0.00 C ATOM 633 OE1 GLN A 40 13.753 3.461 7.829 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.721 2.043 9.150 1.00 0.00 N ATOM 0 H GLN A 40 10.650 1.031 6.806 1.00 0.00 H new ATOM 0 HA GLN A 40 9.941 2.298 9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.867 3.070 6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.679 4.170 7.258 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.769 5.026 8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.112 4.175 9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.883 1.782 9.669 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.544 1.441 9.174 1.00 0.00 H new ATOM 643 N SER A 41 7.642 1.305 7.406 1.00 0.00 N ATOM 644 CA SER A 41 6.204 1.313 7.126 1.00 0.00 C ATOM 645 C SER A 41 5.386 1.661 8.371 1.00 0.00 C ATOM 646 O SER A 41 4.389 2.380 8.288 1.00 0.00 O ATOM 647 CB SER A 41 5.786 -0.079 6.648 1.00 0.00 C ATOM 648 OG SER A 41 5.929 -1.011 7.714 1.00 0.00 O ATOM 0 H SER A 41 8.132 0.471 7.083 1.00 0.00 H new ATOM 0 HA SER A 41 6.013 2.069 6.365 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.752 -0.061 6.303 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.400 -0.383 5.800 1.00 0.00 H new ATOM 0 HG SER A 41 6.821 -1.416 7.677 1.00 0.00 H new ATOM 654 N ALA A 42 5.836 1.171 9.518 1.00 0.00 N ATOM 655 CA ALA A 42 5.174 1.440 10.788 1.00 0.00 C ATOM 656 C ALA A 42 5.312 2.904 11.147 1.00 0.00 C ATOM 657 O ALA A 42 4.388 3.535 11.658 1.00 0.00 O ATOM 658 CB ALA A 42 5.859 0.633 11.874 1.00 0.00 C ATOM 0 H ALA A 42 6.664 0.580 9.595 1.00 0.00 H new ATOM 0 HA ALA A 42 4.120 1.175 10.702 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.373 0.825 12.831 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.788 -0.429 11.638 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.908 0.922 11.935 1.00 0.00 H new ATOM 664 N ASN A 43 6.502 3.410 10.879 1.00 0.00 N ATOM 665 CA ASN A 43 6.851 4.780 11.160 1.00 0.00 C ATOM 666 C ASN A 43 6.068 5.737 10.273 1.00 0.00 C ATOM 667 O ASN A 43 5.690 6.823 10.682 1.00 0.00 O ATOM 668 CB ASN A 43 8.342 4.939 10.896 1.00 0.00 C ATOM 669 CG ASN A 43 9.148 4.498 12.115 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.112 5.154 13.155 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.876 3.419 12.046 1.00 0.00 N ATOM 0 H ASN A 43 7.257 2.871 10.456 1.00 0.00 H new ATOM 0 HA ASN A 43 6.609 5.017 12.196 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.629 4.346 10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.567 5.979 10.660 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.418 3.117 12.856 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.904 2.877 11.182 1.00 0.00 H new ATOM 678 N LEU A 44 5.855 5.299 9.054 1.00 0.00 N ATOM 679 CA LEU A 44 5.138 6.059 8.042 1.00 0.00 C ATOM 680 C LEU A 44 3.686 6.059 8.362 1.00 0.00 C ATOM 681 O LEU A 44 2.988 7.056 8.219 1.00 0.00 O ATOM 682 CB LEU A 44 5.438 5.402 6.712 1.00 0.00 C ATOM 683 CG LEU A 44 6.955 5.436 6.574 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.438 4.474 5.508 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.351 6.855 6.270 1.00 0.00 C ATOM 0 H LEU A 44 6.179 4.389 8.726 1.00 0.00 H new ATOM 0 HA LEU A 44 5.449 7.103 8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.065 4.378 6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.957 5.937 5.893 1.00 0.00 H new ATOM 0 HG LEU A 44 7.426 5.111 7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.524 4.525 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.139 3.459 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.999 4.744 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.434 6.916 6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.878 7.174 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.029 7.505 7.083 1.00 0.00 H new ATOM 697 N LEU A 45 3.282 4.932 8.872 1.00 0.00 N ATOM 698 CA LEU A 45 1.932 4.748 9.337 1.00 0.00 C ATOM 699 C LEU A 45 1.743 5.668 10.537 1.00 0.00 C ATOM 700 O LEU A 45 0.703 6.299 10.715 1.00 0.00 O ATOM 701 CB LEU A 45 1.735 3.279 9.716 1.00 0.00 C ATOM 702 CG LEU A 45 0.464 3.098 10.545 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.741 3.669 9.793 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.272 1.604 10.807 1.00 0.00 C ATOM 0 H LEU A 45 3.878 4.111 8.979 1.00 0.00 H new ATOM 0 HA LEU A 45 1.196 4.994 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.676 2.671 8.813 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.597 2.926 10.282 1.00 0.00 H new ATOM 0 HG LEU A 45 0.553 3.631 11.492 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.641 3.535 10.393 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.584 4.732 9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.857 3.148 8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.631 1.451 11.398 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.177 1.077 9.857 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.133 1.217 11.352 1.00 0.00 H new ATOM 716 N ALA A 46 2.803 5.753 11.326 1.00 0.00 N ATOM 717 CA ALA A 46 2.829 6.606 12.498 1.00 0.00 C ATOM 718 C ALA A 46 2.761 8.058 12.077 1.00 0.00 C ATOM 719 O ALA A 46 1.998 8.855 12.626 1.00 0.00 O ATOM 720 CB ALA A 46 4.135 6.393 13.258 1.00 0.00 C ATOM 0 H ALA A 46 3.666 5.233 11.170 1.00 0.00 H new ATOM 0 HA ALA A 46 1.977 6.357 13.130 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.152 7.035 14.139 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.210 5.351 13.568 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.977 6.641 12.611 1.00 0.00 H new ATOM 726 N GLU A 47 3.571 8.369 11.077 1.00 0.00 N ATOM 727 CA GLU A 47 3.647 9.695 10.523 1.00 0.00 C ATOM 728 C GLU A 47 2.339 10.063 9.880 1.00 0.00 C ATOM 729 O GLU A 47 1.904 11.202 9.932 1.00 0.00 O ATOM 730 CB GLU A 47 4.715 9.705 9.441 1.00 0.00 C ATOM 731 CG GLU A 47 6.119 9.832 10.024 1.00 0.00 C ATOM 732 CD GLU A 47 6.237 11.085 10.898 1.00 0.00 C ATOM 733 OE1 GLU A 47 5.991 12.168 10.389 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.576 10.944 12.061 1.00 0.00 O ATOM 0 H GLU A 47 4.195 7.697 10.630 1.00 0.00 H new ATOM 0 HA GLU A 47 3.880 10.402 11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.647 8.788 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.530 10.533 8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.352 8.947 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.850 9.877 9.216 1.00 0.00 H new ATOM 741 N ALA A 48 1.733 9.077 9.256 1.00 0.00 N ATOM 742 CA ALA A 48 0.492 9.270 8.576 1.00 0.00 C ATOM 743 C ALA A 48 -0.598 9.576 9.570 1.00 0.00 C ATOM 744 O ALA A 48 -1.327 10.547 9.409 1.00 0.00 O ATOM 745 CB ALA A 48 0.199 8.008 7.814 1.00 0.00 C ATOM 0 H ALA A 48 2.094 8.124 9.211 1.00 0.00 H new ATOM 0 HA ALA A 48 0.546 10.114 7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.745 8.117 7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.001 7.820 7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.128 7.171 8.509 1.00 0.00 H new ATOM 751 N LYS A 49 -0.669 8.771 10.626 1.00 0.00 N ATOM 752 CA LYS A 49 -1.642 9.011 11.671 1.00 0.00 C ATOM 753 C LYS A 49 -1.377 10.376 12.274 1.00 0.00 C ATOM 754 O LYS A 49 -2.300 11.062 12.688 1.00 0.00 O ATOM 755 CB LYS A 49 -1.558 7.924 12.748 1.00 0.00 C ATOM 756 CG LYS A 49 -2.136 6.619 12.193 1.00 0.00 C ATOM 757 CD LYS A 49 -2.091 5.526 13.267 1.00 0.00 C ATOM 758 CE LYS A 49 -2.674 4.228 12.697 1.00 0.00 C ATOM 759 NZ LYS A 49 -1.777 3.085 13.030 1.00 0.00 N ATOM 0 H LYS A 49 -0.070 7.959 10.775 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.647 8.983 11.249 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.522 7.776 13.052 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.110 8.232 13.636 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.164 6.777 11.866 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.568 6.304 11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.064 5.364 13.594 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.659 5.838 14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.669 4.054 13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.786 4.312 11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.005 2.275 12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.787 3.365 12.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.913 2.816 14.025 1.00 0.00 H new ATOM 773 N LYS A 50 -0.101 10.777 12.285 1.00 0.00 N ATOM 774 CA LYS A 50 0.273 12.069 12.809 1.00 0.00 C ATOM 775 C LYS A 50 -0.167 13.161 11.856 1.00 0.00 C ATOM 776 O LYS A 50 -0.667 14.206 12.274 1.00 0.00 O ATOM 777 CB LYS A 50 1.788 12.116 13.025 1.00 0.00 C ATOM 778 CG LYS A 50 2.183 13.393 13.775 1.00 0.00 C ATOM 779 CD LYS A 50 3.697 13.387 14.021 1.00 0.00 C ATOM 780 CE LYS A 50 4.439 13.792 12.740 1.00 0.00 C ATOM 781 NZ LYS A 50 5.905 13.618 12.940 1.00 0.00 N ATOM 0 H LYS A 50 0.678 10.219 11.936 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.222 12.230 13.767 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.108 11.241 13.591 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.300 12.079 12.063 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.900 14.272 13.195 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.649 13.452 14.723 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.945 14.076 14.828 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.018 12.395 14.339 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.100 13.182 11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.216 14.829 12.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.420 14.134 12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.175 13.991 13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.145 12.607 12.889 1.00 0.00 H new ATOM 795 N LEU A 51 0.017 12.895 10.571 1.00 0.00 N ATOM 796 CA LEU A 51 -0.365 13.841 9.542 1.00 0.00 C ATOM 797 C LEU A 51 -1.877 13.932 9.466 1.00 0.00 C ATOM 798 O LEU A 51 -2.442 15.015 9.333 1.00 0.00 O ATOM 799 CB LEU A 51 0.206 13.417 8.182 1.00 0.00 C ATOM 800 CG LEU A 51 1.531 14.137 7.890 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.345 15.659 7.983 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.614 13.678 8.878 1.00 0.00 C ATOM 0 H LEU A 51 0.429 12.031 10.220 1.00 0.00 H new ATOM 0 HA LEU A 51 0.042 14.820 9.797 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.364 12.339 8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.515 13.642 7.396 1.00 0.00 H new ATOM 0 HG LEU A 51 1.847 13.884 6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.293 16.155 7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.599 15.980 7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.011 15.924 8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.548 14.196 8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.300 13.909 9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.764 12.603 8.780 1.00 0.00 H new ATOM 814 N ASN A 52 -2.515 12.774 9.574 1.00 0.00 N ATOM 815 CA ASN A 52 -3.959 12.690 9.544 1.00 0.00 C ATOM 816 C ASN A 52 -4.521 13.394 10.757 1.00 0.00 C ATOM 817 O ASN A 52 -5.456 14.182 10.652 1.00 0.00 O ATOM 818 CB ASN A 52 -4.384 11.223 9.553 1.00 0.00 C ATOM 819 CG ASN A 52 -5.846 11.079 9.948 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.724 11.328 9.137 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.156 10.692 11.153 1.00 0.00 N ATOM 0 H ASN A 52 -2.045 11.875 9.684 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.338 13.166 8.640 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.226 10.789 8.565 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.759 10.664 10.250 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.135 10.596 11.422 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.419 10.485 11.827 1.00 0.00 H new ATOM 828 N ASP A 53 -3.921 13.107 11.909 1.00 0.00 N ATOM 829 CA ASP A 53 -4.353 13.727 13.149 1.00 0.00 C ATOM 830 C ASP A 53 -4.141 15.232 13.069 1.00 0.00 C ATOM 831 O ASP A 53 -4.979 16.016 13.519 1.00 0.00 O ATOM 832 CB ASP A 53 -3.591 13.145 14.347 1.00 0.00 C ATOM 833 CG ASP A 53 -4.013 11.693 14.637 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.972 11.220 14.039 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.358 11.068 15.455 1.00 0.00 O ATOM 0 H ASP A 53 -3.142 12.455 12.006 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.413 13.520 13.292 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.520 13.180 14.149 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.773 13.760 15.228 1.00 0.00 H new ATOM 840 N ALA A 54 -3.019 15.620 12.465 1.00 0.00 N ATOM 841 CA ALA A 54 -2.695 17.023 12.289 1.00 0.00 C ATOM 842 C ALA A 54 -3.702 17.667 11.342 1.00 0.00 C ATOM 843 O ALA A 54 -4.117 18.811 11.542 1.00 0.00 O ATOM 844 CB ALA A 54 -1.283 17.156 11.715 1.00 0.00 C ATOM 0 H ALA A 54 -2.322 14.976 12.091 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.738 17.528 13.254 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.042 18.211 11.584 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.567 16.703 12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.233 16.649 10.751 1.00 0.00 H new ATOM 850 N GLN A 55 -4.096 16.910 10.313 1.00 0.00 N ATOM 851 CA GLN A 55 -5.065 17.390 9.333 1.00 0.00 C ATOM 852 C GLN A 55 -6.500 17.158 9.814 1.00 0.00 C ATOM 853 O GLN A 55 -7.456 17.594 9.168 1.00 0.00 O ATOM 854 CB GLN A 55 -4.832 16.663 8.011 1.00 0.00 C ATOM 855 CG GLN A 55 -3.555 17.193 7.353 1.00 0.00 C ATOM 856 CD GLN A 55 -3.170 16.301 6.183 1.00 0.00 C ATOM 857 OE1 GLN A 55 -3.172 16.737 5.033 1.00 0.00 O ATOM 858 NE2 GLN A 55 -2.844 15.064 6.414 1.00 0.00 N ATOM 0 H GLN A 55 -3.757 15.964 10.141 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.930 18.463 9.199 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.746 15.590 8.184 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.684 16.811 7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.710 18.215 7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.745 17.223 8.082 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.844 14.707 7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.589 14.451 5.640 1.00 0.00 H new ATOM 867 N ALA A 56 -6.641 16.472 10.949 1.00 0.00 N ATOM 868 CA ALA A 56 -7.961 16.186 11.511 1.00 0.00 C ATOM 869 C ALA A 56 -8.543 17.434 12.161 1.00 0.00 C ATOM 870 O ALA A 56 -7.817 18.195 12.799 1.00 0.00 O ATOM 871 CB ALA A 56 -7.871 15.058 12.546 1.00 0.00 C ATOM 0 H ALA A 56 -5.861 16.106 11.495 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.616 15.870 10.699 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.862 14.858 12.954 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.487 14.156 12.069 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.200 15.356 13.352 1.00 0.00 H new ATOM 877 N PRO A 57 -9.832 17.659 11.994 1.00 0.00 N ATOM 878 CA PRO A 57 -10.552 18.827 12.552 1.00 0.00 C ATOM 879 C PRO A 57 -10.154 19.153 13.982 1.00 0.00 C ATOM 880 O PRO A 57 -9.845 18.272 14.789 1.00 0.00 O ATOM 881 CB PRO A 57 -12.029 18.419 12.503 1.00 0.00 C ATOM 882 CG PRO A 57 -12.066 17.034 11.976 1.00 0.00 C ATOM 883 CD PRO A 57 -10.770 16.841 11.229 1.00 0.00 C ATOM 0 HA PRO A 57 -10.321 19.727 11.982 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.478 18.469 13.495 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.597 19.093 11.862 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.162 16.310 12.786 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.922 16.890 11.317 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.468 15.794 11.206 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.846 17.174 10.194 1.00 0.00 H new ATOM 891 N LYS A 58 -10.182 20.437 14.255 1.00 0.00 N ATOM 892 CA LYS A 58 -9.840 20.977 15.574 1.00 0.00 C ATOM 893 C LYS A 58 -10.726 22.177 15.913 1.00 0.00 C ATOM 894 O LYS A 58 -11.174 22.259 17.046 1.00 0.00 O ATOM 895 CB LYS A 58 -8.374 21.397 15.599 1.00 0.00 C ATOM 896 CG LYS A 58 -7.477 20.157 15.512 1.00 0.00 C ATOM 897 CD LYS A 58 -6.004 20.578 15.532 1.00 0.00 C ATOM 898 CE LYS A 58 -5.107 19.342 15.383 1.00 0.00 C ATOM 899 NZ LYS A 58 -5.291 18.746 14.027 1.00 0.00 N ATOM 900 OXT LYS A 58 -10.942 23.001 15.036 1.00 0.00 O ATOM 0 H LYS A 58 -10.442 21.149 13.573 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.007 20.199 16.319 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.164 22.068 14.766 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.160 21.949 16.514 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.685 19.488 16.347 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.694 19.604 14.598 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.807 21.281 14.723 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.776 21.093 16.465 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.063 19.619 15.530 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.353 18.608 16.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.163 17.715 14.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.249 18.959 13.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.590 19.148 13.373 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -13.774 -7.352 6.806 1.00 0.00 N ATOM 916 CA VAL B 1 -15.255 -7.189 6.744 1.00 0.00 C ATOM 917 C VAL B 1 -15.729 -7.417 5.307 1.00 0.00 C ATOM 918 O VAL B 1 -16.708 -8.129 5.075 1.00 0.00 O ATOM 919 CB VAL B 1 -15.639 -5.777 7.241 1.00 0.00 C ATOM 920 CG1 VAL B 1 -14.968 -4.696 6.377 1.00 0.00 C ATOM 921 CG2 VAL B 1 -17.166 -5.602 7.185 1.00 0.00 C ATOM 0 H1 VAL B 1 -13.364 -6.588 7.381 1.00 0.00 H new ATOM 0 H2 VAL B 1 -13.544 -8.270 7.236 1.00 0.00 H new ATOM 0 H3 VAL B 1 -13.380 -7.311 5.844 1.00 0.00 H new ATOM 0 HA VAL B 1 -15.741 -7.922 7.388 1.00 0.00 H new ATOM 0 HB VAL B 1 -15.295 -5.669 8.269 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -15.251 -3.709 6.744 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -13.885 -4.806 6.432 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -15.291 -4.805 5.342 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -17.431 -4.605 7.536 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -17.509 -5.728 6.158 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -17.641 -6.349 7.821 1.00 0.00 H new ATOM 933 N ASP B 2 -15.022 -6.810 4.352 1.00 0.00 N ATOM 934 CA ASP B 2 -15.362 -6.946 2.935 1.00 0.00 C ATOM 935 C ASP B 2 -15.219 -8.397 2.473 1.00 0.00 C ATOM 936 O ASP B 2 -16.020 -8.883 1.673 1.00 0.00 O ATOM 937 CB ASP B 2 -14.449 -6.036 2.099 1.00 0.00 C ATOM 938 CG ASP B 2 -12.979 -6.325 2.414 1.00 0.00 C ATOM 939 OD1 ASP B 2 -12.464 -5.722 3.342 1.00 0.00 O ATOM 940 OD2 ASP B 2 -12.392 -7.148 1.730 1.00 0.00 O ATOM 0 H ASP B 2 -14.211 -6.220 4.534 1.00 0.00 H new ATOM 0 HA ASP B 2 -16.401 -6.648 2.797 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -14.639 -6.195 1.038 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -14.674 -4.991 2.310 1.00 0.00 H new ATOM 945 N ASN B 3 -14.194 -9.077 2.990 1.00 0.00 N ATOM 946 CA ASN B 3 -13.934 -10.471 2.644 1.00 0.00 C ATOM 947 C ASN B 3 -12.814 -11.030 3.520 1.00 0.00 C ATOM 948 O ASN B 3 -12.181 -10.292 4.275 1.00 0.00 O ATOM 949 CB ASN B 3 -13.533 -10.586 1.160 1.00 0.00 C ATOM 950 CG ASN B 3 -14.116 -11.859 0.550 1.00 0.00 C ATOM 951 OD1 ASN B 3 -13.769 -12.965 0.964 1.00 0.00 O ATOM 952 ND2 ASN B 3 -14.988 -11.768 -0.414 1.00 0.00 N ATOM 0 H ASN B 3 -13.528 -8.680 3.653 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.844 -11.046 2.814 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -13.891 -9.715 0.611 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.447 -10.596 1.070 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -15.383 -12.613 -0.826 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -15.275 -10.851 -0.757 1.00 0.00 H new ATOM 959 N LYS B 4 -12.558 -12.335 3.398 1.00 0.00 N ATOM 960 CA LYS B 4 -11.489 -12.969 4.172 1.00 0.00 C ATOM 961 C LYS B 4 -10.128 -12.597 3.587 1.00 0.00 C ATOM 962 O LYS B 4 -9.082 -12.893 4.170 1.00 0.00 O ATOM 963 CB LYS B 4 -11.659 -14.501 4.189 1.00 0.00 C ATOM 964 CG LYS B 4 -11.764 -15.050 2.754 1.00 0.00 C ATOM 965 CD LYS B 4 -10.670 -16.103 2.497 1.00 0.00 C ATOM 966 CE LYS B 4 -9.298 -15.427 2.344 1.00 0.00 C ATOM 967 NZ LYS B 4 -8.458 -16.210 1.393 1.00 0.00 N ATOM 0 H LYS B 4 -13.069 -12.965 2.780 1.00 0.00 H new ATOM 0 HA LYS B 4 -11.547 -12.607 5.199 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -10.813 -14.961 4.699 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -12.553 -14.767 4.752 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.747 -15.494 2.599 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.667 -14.234 2.038 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -10.641 -16.815 3.322 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -10.906 -16.669 1.596 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.422 -14.407 1.980 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.803 -15.362 3.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -7.459 -15.948 1.515 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -8.575 -17.226 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -8.753 -16.003 0.418 1.00 0.00 H new ATOM 981 N PHE B 5 -10.163 -11.949 2.423 1.00 0.00 N ATOM 982 CA PHE B 5 -8.959 -11.529 1.727 1.00 0.00 C ATOM 983 C PHE B 5 -8.349 -10.287 2.345 1.00 0.00 C ATOM 984 O PHE B 5 -7.454 -9.703 1.766 1.00 0.00 O ATOM 985 CB PHE B 5 -9.280 -11.283 0.249 1.00 0.00 C ATOM 986 CG PHE B 5 -9.457 -12.619 -0.415 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.590 -13.383 -0.130 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.476 -13.108 -1.284 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.749 -14.640 -0.720 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.630 -14.365 -1.870 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.766 -15.132 -1.590 1.00 0.00 C ATOM 0 H PHE B 5 -11.028 -11.703 1.941 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.223 -12.328 1.817 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.186 -10.685 0.150 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.475 -10.724 -0.228 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.342 -13.003 0.545 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.601 -12.514 -1.501 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.627 -15.231 -0.506 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.873 -14.746 -2.539 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.886 -16.104 -2.045 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.811 -9.888 3.526 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.228 -8.718 4.183 1.00 0.00 C ATOM 1003 C ASN B 6 -6.753 -8.982 4.419 1.00 0.00 C ATOM 1004 O ASN B 6 -5.916 -8.136 4.125 1.00 0.00 O ATOM 1005 CB ASN B 6 -8.956 -8.426 5.499 1.00 0.00 C ATOM 1006 CG ASN B 6 -10.399 -8.014 5.210 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -11.152 -7.704 6.130 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -10.828 -7.989 3.976 1.00 0.00 N ATOM 0 H ASN B 6 -9.567 -10.342 4.039 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.339 -7.839 3.548 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -8.941 -9.309 6.138 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.443 -7.632 6.041 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -11.789 -7.712 3.776 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -10.202 -8.247 3.213 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.446 -10.196 4.878 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.062 -10.605 5.077 1.00 0.00 C ATOM 1017 C LYS B 7 -4.363 -10.664 3.722 1.00 0.00 C ATOM 1018 O LYS B 7 -3.241 -10.183 3.561 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.016 -11.992 5.740 1.00 0.00 C ATOM 1020 CG LYS B 7 -3.557 -12.445 5.905 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.499 -13.817 6.596 1.00 0.00 C ATOM 1022 CE LYS B 7 -3.658 -14.936 5.557 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.430 -15.010 4.712 1.00 0.00 N ATOM 0 H LYS B 7 -7.136 -10.908 5.117 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.559 -9.886 5.724 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.507 -11.956 6.713 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.563 -12.713 5.133 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.074 -12.501 4.929 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.005 -11.711 6.492 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -2.550 -13.929 7.121 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.288 -13.890 7.345 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -3.826 -15.890 6.057 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -4.531 -14.745 4.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -2.699 -15.183 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -1.909 -14.112 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.824 -15.786 5.047 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.060 -11.266 2.757 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.551 -11.421 1.397 1.00 0.00 C ATOM 1039 C GLU B 8 -4.329 -10.064 0.735 1.00 0.00 C ATOM 1040 O GLU B 8 -3.366 -9.873 -0.014 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.575 -12.219 0.567 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.751 -13.633 1.154 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.410 -14.368 1.212 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.790 -14.521 0.172 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.027 -14.774 2.297 1.00 0.00 O ATOM 0 H GLU B 8 -5.991 -11.658 2.898 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.597 -11.946 1.442 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.533 -11.699 0.560 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.241 -12.286 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.178 -13.566 2.155 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.455 -14.200 0.545 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.242 -9.138 1.007 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.188 -7.810 0.440 1.00 0.00 C ATOM 1054 C ARG B 9 -3.931 -7.072 0.890 1.00 0.00 C ATOM 1055 O ARG B 9 -3.242 -6.484 0.065 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.435 -7.027 0.863 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.420 -5.634 0.225 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.801 -4.993 0.362 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.132 -4.805 1.773 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.378 -4.939 2.218 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.378 -4.482 1.519 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.599 -5.529 3.356 1.00 0.00 N ATOM 0 H ARG B 9 -6.037 -9.294 1.627 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.157 -7.895 -0.646 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.333 -7.565 0.560 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.468 -6.938 1.949 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.668 -5.010 0.708 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.145 -5.708 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.817 -4.033 -0.154 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.552 -5.624 -0.114 1.00 0.00 H new ATOM 0 HE ARG B 9 -7.391 -4.566 2.431 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -10.207 -4.019 0.626 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -11.332 -4.587 1.864 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.818 -5.888 3.905 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.554 -5.633 3.700 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.630 -7.102 2.201 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.445 -6.400 2.697 1.00 0.00 C ATOM 1078 C VAL B 10 -1.179 -6.944 2.041 1.00 0.00 C ATOM 1079 O VAL B 10 -0.280 -6.178 1.721 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.334 -6.375 4.256 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.666 -6.715 4.946 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.260 -7.329 4.760 1.00 0.00 C ATOM 0 H VAL B 10 -4.175 -7.590 2.912 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.561 -5.356 2.406 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.060 -5.352 4.514 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.534 -6.684 6.028 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.424 -5.989 4.652 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -3.985 -7.714 4.648 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.214 -7.283 5.848 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.502 -8.346 4.450 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.294 -7.043 4.343 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.113 -8.253 1.821 1.00 0.00 N ATOM 1093 CA ILE B 11 0.063 -8.831 1.175 1.00 0.00 C ATOM 1094 C ILE B 11 0.216 -8.236 -0.222 1.00 0.00 C ATOM 1095 O ILE B 11 1.327 -7.924 -0.650 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.038 -10.363 1.122 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.119 -10.898 2.561 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.201 -10.953 0.425 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.069 -12.416 2.577 1.00 0.00 C ATOM 0 H ILE B 11 -1.841 -8.922 2.073 1.00 0.00 H new ATOM 0 HA ILE B 11 0.950 -8.587 1.760 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.926 -10.652 0.560 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.646 -10.424 3.176 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.084 -10.640 2.998 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.118 -12.039 0.393 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.266 -10.564 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.097 -10.674 0.979 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.009 -12.779 3.603 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.712 -12.886 1.979 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.044 -12.666 2.160 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.916 -8.047 -0.908 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.909 -7.451 -2.231 1.00 0.00 C ATOM 1113 C ALA B 12 -0.497 -6.014 -2.143 1.00 0.00 C ATOM 1114 O ALA B 12 0.325 -5.578 -2.933 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.296 -7.536 -2.848 1.00 0.00 C ATOM 0 H ALA B 12 -1.842 -8.300 -0.563 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.200 -7.995 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.281 -7.086 -3.841 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.595 -8.581 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.008 -7.002 -2.218 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.038 -5.295 -1.153 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.679 -3.898 -0.973 1.00 0.00 C ATOM 1123 C ILE B 13 0.817 -3.843 -0.809 1.00 0.00 C ATOM 1124 O ILE B 13 1.486 -3.103 -1.499 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.366 -3.329 0.290 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.873 -3.380 0.118 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.979 -1.866 0.517 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.565 -3.085 1.439 1.00 0.00 C ATOM 0 H ILE B 13 -1.713 -5.656 -0.479 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.001 -3.304 -1.828 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.045 -3.932 1.140 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.185 -2.655 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.171 -4.364 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.477 -1.493 1.412 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.101 -1.791 0.645 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.285 -1.271 -0.343 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.645 -3.125 1.301 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.266 -3.827 2.180 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.280 -2.091 1.785 1.00 0.00 H new ATOM 1140 N GLY B 14 1.322 -4.695 0.070 1.00 0.00 N ATOM 1141 CA GLY B 14 2.746 -4.793 0.319 1.00 0.00 C ATOM 1142 C GLY B 14 3.503 -5.147 -0.933 1.00 0.00 C ATOM 1143 O GLY B 14 4.585 -4.627 -1.171 1.00 0.00 O ATOM 0 H GLY B 14 0.756 -5.335 0.627 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.114 -3.845 0.712 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.932 -5.548 1.083 1.00 0.00 H new ATOM 1147 N GLU B 15 2.936 -6.045 -1.727 1.00 0.00 N ATOM 1148 CA GLU B 15 3.589 -6.471 -2.940 1.00 0.00 C ATOM 1149 C GLU B 15 3.710 -5.283 -3.854 1.00 0.00 C ATOM 1150 O GLU B 15 4.759 -5.079 -4.457 1.00 0.00 O ATOM 1151 CB GLU B 15 2.793 -7.595 -3.588 1.00 0.00 C ATOM 1152 CG GLU B 15 3.643 -8.322 -4.655 1.00 0.00 C ATOM 1153 CD GLU B 15 4.919 -8.916 -4.037 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.859 -9.388 -2.910 1.00 0.00 O ATOM 1155 OE2 GLU B 15 5.938 -8.898 -4.709 1.00 0.00 O ATOM 0 H GLU B 15 2.033 -6.485 -1.549 1.00 0.00 H new ATOM 0 HA GLU B 15 4.586 -6.857 -2.726 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.471 -8.305 -2.826 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.891 -7.190 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.054 -9.116 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU B 15 3.911 -7.624 -5.448 1.00 0.00 H new ATOM 1162 N ILE B 16 2.655 -4.463 -3.918 1.00 0.00 N ATOM 1163 CA ILE B 16 2.751 -3.256 -4.763 1.00 0.00 C ATOM 1164 C ILE B 16 3.947 -2.428 -4.273 1.00 0.00 C ATOM 1165 O ILE B 16 4.790 -1.986 -5.055 1.00 0.00 O ATOM 1166 CB ILE B 16 1.531 -2.294 -4.657 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.186 -3.014 -4.548 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.494 -1.389 -5.890 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.121 -3.760 -5.834 1.00 0.00 C ATOM 0 H ILE B 16 1.770 -4.595 -3.428 1.00 0.00 H new ATOM 0 HA ILE B 16 2.825 -3.619 -5.788 1.00 0.00 H new ATOM 0 HB ILE B 16 1.669 -1.725 -3.738 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.207 -3.712 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.604 -2.292 -4.341 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.641 -0.714 -5.820 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.414 -0.807 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.400 -2.000 -6.787 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.081 -4.267 -5.740 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.163 -3.054 -6.663 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.661 -4.496 -6.023 1.00 0.00 H new ATOM 1181 N MET B 17 3.978 -2.232 -2.957 1.00 0.00 N ATOM 1182 CA MET B 17 5.026 -1.465 -2.284 1.00 0.00 C ATOM 1183 C MET B 17 6.397 -2.124 -2.474 1.00 0.00 C ATOM 1184 O MET B 17 7.408 -1.432 -2.603 1.00 0.00 O ATOM 1185 CB MET B 17 4.670 -1.353 -0.808 1.00 0.00 C ATOM 1186 CG MET B 17 3.227 -0.851 -0.671 1.00 0.00 C ATOM 1187 SD MET B 17 3.118 0.849 -1.223 1.00 0.00 S ATOM 1188 CE MET B 17 4.014 1.523 0.172 1.00 0.00 C ATOM 0 H MET B 17 3.272 -2.603 -2.322 1.00 0.00 H new ATOM 0 HA MET B 17 5.089 -0.468 -2.720 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.778 -2.323 -0.322 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.355 -0.668 -0.308 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.557 -1.477 -1.260 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.903 -0.927 0.367 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.390 2.254 0.686 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.273 0.719 0.861 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.925 2.007 -0.180 1.00 0.00 H new ATOM 1198 N ARG B 18 6.420 -3.463 -2.516 1.00 0.00 N ATOM 1199 CA ARG B 18 7.665 -4.208 -2.720 1.00 0.00 C ATOM 1200 C ARG B 18 8.247 -3.908 -4.096 1.00 0.00 C ATOM 1201 O ARG B 18 9.466 -3.830 -4.258 1.00 0.00 O ATOM 1202 CB ARG B 18 7.418 -5.710 -2.606 1.00 0.00 C ATOM 1203 CG ARG B 18 7.164 -6.115 -1.147 1.00 0.00 C ATOM 1204 CD ARG B 18 8.486 -6.440 -0.438 1.00 0.00 C ATOM 1205 NE ARG B 18 8.794 -7.867 -0.553 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.800 -8.488 -1.730 1.00 0.00 C ATOM 1207 NH1 ARG B 18 7.705 -9.025 -2.191 1.00 0.00 N ATOM 1208 NH2 ARG B 18 9.899 -8.554 -2.425 1.00 0.00 N ATOM 0 H ARG B 18 5.592 -4.049 -2.412 1.00 0.00 H new ATOM 0 HA ARG B 18 8.370 -3.896 -1.949 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.561 -5.989 -3.219 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.279 -6.255 -2.994 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.653 -5.307 -0.623 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.505 -6.982 -1.114 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.293 -5.852 -0.874 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.420 -6.160 0.613 1.00 0.00 H new ATOM 0 HE ARG B 18 9.009 -8.399 0.290 1.00 0.00 H new ATOM 0 HH11 ARG B 18 6.842 -8.969 -1.649 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.711 -9.501 -3.093 1.00 0.00 H new ATOM 0 HH21 ARG B 18 10.755 -8.130 -2.067 1.00 0.00 H new ATOM 0 HH22 ARG B 18 9.904 -9.030 -3.327 1.00 0.00 H new ATOM 1222 N LEU B 19 7.360 -3.745 -5.083 1.00 0.00 N ATOM 1223 CA LEU B 19 7.781 -3.459 -6.452 1.00 0.00 C ATOM 1224 C LEU B 19 8.533 -2.138 -6.510 1.00 0.00 C ATOM 1225 O LEU B 19 7.950 -1.090 -6.257 1.00 0.00 O ATOM 1226 CB LEU B 19 6.565 -3.372 -7.380 1.00 0.00 C ATOM 1227 CG LEU B 19 5.796 -4.694 -7.429 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.485 -4.489 -8.178 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.613 -5.747 -8.152 1.00 0.00 C ATOM 0 H LEU B 19 6.350 -3.807 -4.957 1.00 0.00 H new ATOM 0 HA LEU B 19 8.433 -4.269 -6.778 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.902 -2.578 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.892 -3.104 -8.385 1.00 0.00 H new ATOM 0 HG LEU B 19 5.599 -5.025 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.936 -5.430 -8.214 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.885 -3.738 -7.663 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.695 -4.152 -9.193 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.056 -6.683 -8.181 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.816 -5.414 -9.170 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.555 -5.901 -7.626 1.00 0.00 H new ATOM 1241 N PRO B 20 9.806 -2.162 -6.830 1.00 0.00 N ATOM 1242 CA PRO B 20 10.634 -0.931 -6.913 1.00 0.00 C ATOM 1243 C PRO B 20 10.444 -0.155 -8.224 1.00 0.00 C ATOM 1244 O PRO B 20 10.967 0.953 -8.360 1.00 0.00 O ATOM 1245 CB PRO B 20 12.077 -1.452 -6.801 1.00 0.00 C ATOM 1246 CG PRO B 20 12.000 -2.938 -6.659 1.00 0.00 C ATOM 1247 CD PRO B 20 10.622 -3.347 -7.141 1.00 0.00 C ATOM 0 HA PRO B 20 10.358 -0.220 -6.134 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.654 -1.179 -7.684 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.581 -1.009 -5.942 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.777 -3.425 -7.248 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.152 -3.237 -5.622 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.617 -3.574 -8.207 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.259 -4.236 -6.624 1.00 0.00 H new ATOM 1255 N ASN B 21 9.727 -0.742 -9.194 1.00 0.00 N ATOM 1256 CA ASN B 21 9.533 -0.080 -10.486 1.00 0.00 C ATOM 1257 C ASN B 21 8.205 0.682 -10.560 1.00 0.00 C ATOM 1258 O ASN B 21 8.032 1.524 -11.444 1.00 0.00 O ATOM 1259 CB ASN B 21 9.601 -1.109 -11.619 1.00 0.00 C ATOM 1260 CG ASN B 21 10.903 -1.904 -11.552 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.952 -1.363 -11.201 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.900 -3.165 -11.880 1.00 0.00 N ATOM 0 H ASN B 21 9.281 -1.655 -9.109 1.00 0.00 H new ATOM 0 HA ASN B 21 10.336 0.649 -10.596 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.751 -1.788 -11.551 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.528 -0.602 -12.581 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.766 -3.703 -11.846 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.032 -3.614 -12.171 1.00 0.00 H new ATOM 1269 N LEU B 22 7.262 0.396 -9.646 1.00 0.00 N ATOM 1270 CA LEU B 22 5.970 1.094 -9.676 1.00 0.00 C ATOM 1271 C LEU B 22 6.096 2.546 -9.227 1.00 0.00 C ATOM 1272 O LEU B 22 6.999 2.914 -8.475 1.00 0.00 O ATOM 1273 CB LEU B 22 4.913 0.400 -8.795 1.00 0.00 C ATOM 1274 CG LEU B 22 4.632 -1.027 -9.266 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.351 -1.546 -8.604 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.444 -1.032 -10.766 1.00 0.00 C ATOM 0 H LEU B 22 7.365 -0.292 -8.900 1.00 0.00 H new ATOM 0 HA LEU B 22 5.646 1.063 -10.716 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.257 0.381 -7.761 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.989 0.978 -8.813 1.00 0.00 H new ATOM 0 HG LEU B 22 5.472 -1.667 -8.993 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.153 -2.563 -8.942 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.473 -1.541 -7.521 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.514 -0.904 -8.878 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.244 -2.049 -11.104 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.604 -0.390 -11.030 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.349 -0.661 -11.247 1.00 0.00 H new ATOM 1288 N ASN B 23 5.153 3.351 -9.704 1.00 0.00 N ATOM 1289 CA ASN B 23 5.084 4.768 -9.383 1.00 0.00 C ATOM 1290 C ASN B 23 4.237 4.953 -8.123 1.00 0.00 C ATOM 1291 O ASN B 23 3.399 4.108 -7.816 1.00 0.00 O ATOM 1292 CB ASN B 23 4.462 5.482 -10.605 1.00 0.00 C ATOM 1293 CG ASN B 23 3.523 6.617 -10.232 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.365 6.622 -10.632 1.00 0.00 O ATOM 1295 ND2 ASN B 23 3.958 7.593 -9.513 1.00 0.00 N ATOM 0 H ASN B 23 4.411 3.035 -10.328 1.00 0.00 H new ATOM 0 HA ASN B 23 6.068 5.192 -9.180 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.262 5.875 -11.232 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.917 4.752 -11.203 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.339 8.368 -9.277 1.00 0.00 H new ATOM 0 HD22 ASN B 23 4.922 7.590 -9.179 1.00 0.00 H new ATOM 1302 N SER B 24 4.444 6.060 -7.407 1.00 0.00 N ATOM 1303 CA SER B 24 3.670 6.319 -6.192 1.00 0.00 C ATOM 1304 C SER B 24 2.181 6.311 -6.524 1.00 0.00 C ATOM 1305 O SER B 24 1.381 5.700 -5.819 1.00 0.00 O ATOM 1306 CB SER B 24 4.064 7.677 -5.603 1.00 0.00 C ATOM 1307 OG SER B 24 3.943 8.680 -6.604 1.00 0.00 O ATOM 0 H SER B 24 5.128 6.779 -7.642 1.00 0.00 H new ATOM 0 HA SER B 24 3.880 5.540 -5.459 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.424 7.917 -4.754 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.088 7.641 -5.231 1.00 0.00 H new ATOM 0 HG SER B 24 4.193 9.550 -6.228 1.00 0.00 H new ATOM 1313 N LEU B 25 1.840 6.966 -7.631 1.00 0.00 N ATOM 1314 CA LEU B 25 0.466 7.025 -8.104 1.00 0.00 C ATOM 1315 C LEU B 25 0.010 5.666 -8.627 1.00 0.00 C ATOM 1316 O LEU B 25 -1.143 5.284 -8.426 1.00 0.00 O ATOM 1317 CB LEU B 25 0.328 8.084 -9.210 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.571 9.221 -8.755 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.725 10.250 -9.883 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.935 8.649 -8.380 1.00 0.00 C ATOM 0 H LEU B 25 2.506 7.467 -8.220 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.169 7.302 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.312 8.474 -9.472 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.083 7.626 -10.110 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.130 9.717 -7.891 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.371 11.062 -9.549 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.254 10.650 -10.147 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.168 9.770 -10.756 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.590 9.456 -8.051 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.374 8.156 -9.247 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.817 7.926 -7.573 1.00 0.00 H new ATOM 1332 N GLN B 26 0.917 4.931 -9.286 1.00 0.00 N ATOM 1333 CA GLN B 26 0.578 3.615 -9.810 1.00 0.00 C ATOM 1334 C GLN B 26 0.261 2.679 -8.666 1.00 0.00 C ATOM 1335 O GLN B 26 -0.681 1.892 -8.725 1.00 0.00 O ATOM 1336 CB GLN B 26 1.756 3.034 -10.582 1.00 0.00 C ATOM 1337 CG GLN B 26 1.859 3.645 -11.981 1.00 0.00 C ATOM 1338 CD GLN B 26 3.051 3.040 -12.710 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.271 3.324 -13.886 1.00 0.00 O ATOM 1340 NE2 GLN B 26 3.839 2.216 -12.075 1.00 0.00 N ATOM 0 H GLN B 26 1.877 5.227 -9.464 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.283 3.720 -10.470 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.680 3.218 -10.033 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.643 1.953 -10.662 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.943 3.457 -12.540 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.973 4.727 -11.910 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.654 1.983 -11.100 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.640 1.805 -12.554 1.00 0.00 H new ATOM 1349 N VAL B 27 1.065 2.791 -7.621 1.00 0.00 N ATOM 1350 CA VAL B 27 0.895 1.973 -6.443 1.00 0.00 C ATOM 1351 C VAL B 27 -0.433 2.293 -5.807 1.00 0.00 C ATOM 1352 O VAL B 27 -1.197 1.395 -5.471 1.00 0.00 O ATOM 1353 CB VAL B 27 2.071 2.191 -5.487 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.802 1.521 -4.131 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.318 1.573 -6.135 1.00 0.00 C ATOM 0 H VAL B 27 1.845 3.446 -7.570 1.00 0.00 H new ATOM 0 HA VAL B 27 0.890 0.916 -6.708 1.00 0.00 H new ATOM 0 HB VAL B 27 2.213 3.257 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.650 1.689 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.903 1.948 -3.686 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.661 0.450 -4.276 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.176 1.712 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.154 0.508 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.511 2.060 -7.091 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.725 3.577 -5.715 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.994 4.016 -5.190 1.00 0.00 C ATOM 1367 C VAL B 28 -3.104 3.480 -6.099 1.00 0.00 C ATOM 1368 O VAL B 28 -4.183 3.128 -5.634 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.039 5.548 -5.134 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.406 5.992 -4.615 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.932 6.074 -4.202 1.00 0.00 C ATOM 0 H VAL B 28 -0.098 4.330 -5.998 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.133 3.637 -4.177 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.878 5.952 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.443 7.081 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.185 5.628 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.566 5.585 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.972 7.163 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.081 5.674 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.041 5.758 -4.578 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.809 3.407 -7.400 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.760 2.902 -8.379 1.00 0.00 C ATOM 1383 C ALA B 29 -4.146 1.480 -8.020 1.00 0.00 C ATOM 1384 O ALA B 29 -5.323 1.114 -8.049 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.126 2.927 -9.780 1.00 0.00 C ATOM 0 H ALA B 29 -1.914 3.694 -7.795 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.650 3.532 -8.377 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.841 2.548 -10.510 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.852 3.950 -10.037 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.234 2.300 -9.787 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.134 0.686 -7.673 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.345 -0.678 -7.306 1.00 0.00 C ATOM 1393 C PHE B 30 -3.982 -0.771 -5.918 1.00 0.00 C ATOM 1394 O PHE B 30 -4.950 -1.500 -5.737 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.998 -1.414 -7.379 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.495 -1.389 -8.824 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.301 -1.875 -9.880 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.237 -0.828 -9.126 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.845 -1.799 -11.194 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.199 -0.751 -10.446 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.603 -1.235 -11.479 1.00 0.00 C ATOM 0 H PHE B 30 -2.159 0.985 -7.644 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.041 -1.154 -7.996 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.272 -0.938 -6.719 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.112 -2.443 -7.038 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.269 -2.305 -9.668 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.391 -0.456 -8.330 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.458 -2.180 -11.997 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.161 -0.315 -10.671 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.261 -1.173 -12.502 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.469 0.000 -4.950 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.030 -0.014 -3.594 1.00 0.00 C ATOM 1413 C ILE B 31 -5.507 0.370 -3.633 1.00 0.00 C ATOM 1414 O ILE B 31 -6.358 -0.314 -3.063 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.264 0.967 -2.692 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.795 0.529 -2.566 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.898 0.987 -1.296 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -0.976 1.661 -1.936 1.00 0.00 C ATOM 0 H ILE B 31 -2.679 0.632 -5.078 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.933 -1.021 -3.188 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.311 1.962 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.724 -0.370 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.394 0.278 -3.548 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.353 1.683 -0.659 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.938 1.304 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.854 -0.012 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.065 1.351 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.037 2.549 -2.566 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.372 1.890 -0.947 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.795 1.458 -4.330 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.158 1.941 -4.477 1.00 0.00 C ATOM 1432 C ASN B 32 -8.040 0.895 -5.159 1.00 0.00 C ATOM 1433 O ASN B 32 -9.242 0.842 -4.912 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.152 3.225 -5.308 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.520 3.896 -5.285 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.283 3.754 -4.328 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.867 4.626 -6.299 1.00 0.00 N ATOM 0 H ASN B 32 -5.096 2.027 -4.807 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.565 2.139 -3.485 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.400 3.911 -4.919 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.873 2.996 -6.336 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.777 5.087 -6.308 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.230 4.739 -7.088 1.00 0.00 H new ATOM 1444 N SER B 33 -7.436 0.062 -6.015 1.00 0.00 N ATOM 1445 CA SER B 33 -8.178 -0.959 -6.708 1.00 0.00 C ATOM 1446 C SER B 33 -8.481 -2.109 -5.759 1.00 0.00 C ATOM 1447 O SER B 33 -9.506 -2.769 -5.903 1.00 0.00 O ATOM 1448 CB SER B 33 -7.430 -1.399 -7.952 1.00 0.00 C ATOM 1449 OG SER B 33 -7.713 -0.495 -9.012 1.00 0.00 O ATOM 0 H SER B 33 -6.440 0.087 -6.233 1.00 0.00 H new ATOM 0 HA SER B 33 -9.135 -0.561 -7.045 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.358 -1.424 -7.756 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.727 -2.410 -8.231 1.00 0.00 H new ATOM 0 HG SER B 33 -7.071 0.245 -8.991 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.614 -2.321 -4.757 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.881 -3.370 -3.772 1.00 0.00 C ATOM 1457 C LEU B 34 -9.158 -2.964 -3.047 1.00 0.00 C ATOM 1458 O LEU B 34 -10.064 -3.773 -2.855 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.743 -3.519 -2.748 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.369 -3.408 -3.423 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.261 -3.700 -2.434 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.265 -4.395 -4.553 1.00 0.00 C ATOM 0 H LEU B 34 -6.751 -1.797 -4.612 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.972 -4.330 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.837 -2.750 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.827 -4.482 -2.245 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.265 -2.391 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.296 -3.616 -2.934 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.308 -2.985 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.380 -4.710 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.286 -4.307 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.392 -5.406 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.042 -4.188 -5.289 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.230 -1.667 -2.701 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.434 -1.115 -2.055 1.00 0.00 C ATOM 1476 C ARG B 35 -11.634 -1.344 -2.967 1.00 0.00 C ATOM 1477 O ARG B 35 -12.713 -1.740 -2.520 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.299 0.403 -1.819 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.323 0.688 -0.676 1.00 0.00 C ATOM 1480 CD ARG B 35 -9.338 2.169 -0.308 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.876 2.351 1.073 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.261 3.406 1.785 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -8.748 4.579 1.545 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.157 3.269 2.719 1.00 0.00 N ATOM 0 H ARG B 35 -8.482 -0.991 -2.854 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.562 -1.614 -1.095 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.951 0.888 -2.731 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -11.275 0.828 -1.585 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -9.591 0.089 0.195 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -8.316 0.392 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.697 2.728 -0.990 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -10.346 2.569 -0.418 1.00 0.00 H new ATOM 0 HE ARG B 35 -8.253 1.661 1.491 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.050 4.689 0.810 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.045 5.387 2.092 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -10.564 2.352 2.905 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -10.452 4.078 3.265 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.412 -1.089 -4.255 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.438 -1.257 -5.277 1.00 0.00 C ATOM 1500 C ASP B 36 -12.830 -2.729 -5.417 1.00 0.00 C ATOM 1501 O ASP B 36 -13.995 -3.049 -5.658 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.900 -0.726 -6.617 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.616 0.784 -6.550 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.172 1.454 -5.691 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.834 1.251 -7.364 1.00 0.00 O ATOM 0 H ASP B 36 -10.517 -0.761 -4.617 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.327 -0.697 -4.985 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -10.986 -1.258 -6.880 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.624 -0.927 -7.407 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.840 -3.610 -5.269 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.062 -5.052 -5.385 1.00 0.00 C ATOM 1512 C ASP B 37 -11.022 -5.829 -4.587 1.00 0.00 C ATOM 1513 O ASP B 37 -9.941 -6.152 -5.092 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.015 -5.486 -6.859 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.431 -5.668 -7.401 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -13.981 -6.742 -7.209 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.943 -4.737 -7.998 1.00 0.00 O ATOM 0 H ASP B 37 -10.874 -3.350 -5.068 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.049 -5.272 -4.979 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.485 -4.738 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.459 -6.419 -6.953 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.344 -6.155 -3.359 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.442 -6.939 -2.483 1.00 0.00 C ATOM 1524 C PRO B 38 -10.319 -8.378 -2.970 1.00 0.00 C ATOM 1525 O PRO B 38 -9.314 -9.049 -2.721 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.092 -6.887 -1.102 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.336 -6.062 -1.211 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.607 -5.812 -2.687 1.00 0.00 C ATOM 0 HA PRO B 38 -9.430 -6.535 -2.476 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.330 -7.892 -0.754 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.408 -6.451 -0.374 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.178 -6.580 -0.751 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.215 -5.118 -0.681 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.429 -6.429 -3.049 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.884 -4.774 -2.869 1.00 0.00 H new ATOM 1536 N SER B 39 -11.353 -8.830 -3.681 1.00 0.00 N ATOM 1537 CA SER B 39 -11.377 -10.177 -4.230 1.00 0.00 C ATOM 1538 C SER B 39 -10.321 -10.296 -5.316 1.00 0.00 C ATOM 1539 O SER B 39 -9.656 -11.328 -5.438 1.00 0.00 O ATOM 1540 CB SER B 39 -12.767 -10.478 -4.799 1.00 0.00 C ATOM 1541 OG SER B 39 -13.117 -9.481 -5.752 1.00 0.00 O ATOM 0 H SER B 39 -12.185 -8.277 -3.888 1.00 0.00 H new ATOM 0 HA SER B 39 -11.160 -10.900 -3.443 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.774 -11.462 -5.267 1.00 0.00 H new ATOM 0 HB3 SER B 39 -13.503 -10.502 -3.995 1.00 0.00 H new ATOM 0 HG SER B 39 -13.445 -8.684 -5.286 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.159 -9.215 -6.084 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.170 -9.176 -7.142 1.00 0.00 C ATOM 1549 C GLN B 40 -7.974 -8.349 -6.702 1.00 0.00 C ATOM 1550 O GLN B 40 -7.241 -7.833 -7.541 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.745 -8.609 -8.451 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.272 -8.784 -8.515 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.625 -10.256 -8.741 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.070 -10.901 -9.631 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.519 -10.827 -7.986 1.00 0.00 N ATOM 0 H GLN B 40 -10.705 -8.359 -5.985 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.858 -10.202 -7.337 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.495 -7.551 -8.532 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.284 -9.112 -9.301 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.725 -8.432 -7.588 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.682 -8.176 -9.322 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.979 -10.294 -7.248 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.759 -11.808 -8.132 1.00 0.00 H new ATOM 1564 N SER B 41 -7.760 -8.230 -5.383 1.00 0.00 N ATOM 1565 CA SER B 41 -6.625 -7.469 -4.887 1.00 0.00 C ATOM 1566 C SER B 41 -5.347 -8.004 -5.519 1.00 0.00 C ATOM 1567 O SER B 41 -4.405 -7.265 -5.800 1.00 0.00 O ATOM 1568 CB SER B 41 -6.550 -7.601 -3.355 1.00 0.00 C ATOM 1569 OG SER B 41 -5.371 -6.977 -2.862 1.00 0.00 O ATOM 0 H SER B 41 -8.349 -8.645 -4.661 1.00 0.00 H new ATOM 0 HA SER B 41 -6.742 -6.417 -5.149 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.429 -7.143 -2.901 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.557 -8.654 -3.073 1.00 0.00 H new ATOM 0 HG SER B 41 -4.743 -7.663 -2.553 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.367 -9.302 -5.748 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.268 -10.020 -6.371 1.00 0.00 C ATOM 1577 C ALA B 42 -4.197 -9.722 -7.872 1.00 0.00 C ATOM 1578 O ALA B 42 -3.138 -9.843 -8.483 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.499 -11.516 -6.175 1.00 0.00 C ATOM 0 H ALA B 42 -6.158 -9.898 -5.504 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.332 -9.703 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.684 -12.074 -6.636 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.536 -11.742 -5.109 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.443 -11.802 -6.639 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.353 -9.373 -8.449 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.481 -9.098 -9.878 1.00 0.00 C ATOM 1587 C ASN B 43 -4.802 -7.813 -10.292 1.00 0.00 C ATOM 1588 O ASN B 43 -3.986 -7.800 -11.208 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.943 -8.987 -10.211 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.166 -9.138 -11.714 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.693 -10.154 -12.165 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.784 -8.188 -12.520 1.00 0.00 N ATOM 0 H ASN B 43 -6.227 -9.274 -7.933 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.998 -9.915 -10.414 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.502 -9.755 -9.676 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.325 -8.023 -9.876 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -6.922 -8.286 -13.526 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.347 -7.346 -12.145 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.142 -6.729 -9.613 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.541 -5.467 -9.924 1.00 0.00 C ATOM 1601 C LEU B 44 -3.123 -5.495 -9.381 1.00 0.00 C ATOM 1602 O LEU B 44 -2.224 -4.870 -9.917 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.417 -4.270 -9.485 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.530 -4.075 -7.981 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.427 -5.139 -7.379 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.172 -4.042 -7.308 1.00 0.00 C ATOM 0 H LEU B 44 -5.823 -6.709 -8.854 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.475 -5.309 -11.001 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -5.009 -3.360 -9.925 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.418 -4.402 -9.896 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.986 -3.101 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.499 -4.987 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.420 -5.071 -7.822 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.007 -6.125 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.301 -3.901 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.653 -4.983 -7.490 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.585 -3.218 -7.714 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.916 -6.307 -8.344 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.586 -6.502 -7.814 1.00 0.00 C ATOM 1620 C LEU B 45 -0.814 -7.166 -8.934 1.00 0.00 C ATOM 1621 O LEU B 45 0.359 -6.900 -9.170 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.624 -7.422 -6.586 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.279 -8.147 -6.419 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.832 -7.119 -6.209 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.348 -9.108 -5.225 1.00 0.00 C ATOM 0 H LEU B 45 -3.649 -6.830 -7.866 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.134 -5.563 -7.495 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.843 -6.838 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.427 -8.151 -6.695 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.064 -8.724 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.786 -7.633 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.882 -6.456 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.622 -6.534 -5.314 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.609 -9.618 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.568 -8.546 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.134 -9.844 -5.395 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.543 -8.012 -9.647 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.995 -8.708 -10.790 1.00 0.00 C ATOM 1639 C ALA B 46 -0.625 -7.656 -11.825 1.00 0.00 C ATOM 1640 O ALA B 46 0.449 -7.696 -12.421 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.033 -9.685 -11.364 1.00 0.00 C ATOM 0 H ALA B 46 -2.519 -8.230 -9.449 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.118 -9.289 -10.505 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.609 -10.203 -12.224 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.308 -10.413 -10.601 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.920 -9.133 -11.675 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.527 -6.680 -11.968 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.325 -5.554 -12.862 1.00 0.00 C ATOM 1649 C GLU B 47 -0.119 -4.752 -12.391 1.00 0.00 C ATOM 1650 O GLU B 47 0.598 -4.161 -13.190 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.555 -4.625 -12.855 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.780 -5.308 -13.445 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.534 -5.710 -14.901 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.252 -4.832 -15.702 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.635 -6.890 -15.196 1.00 0.00 O ATOM 0 H GLU B 47 -2.414 -6.655 -11.465 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.168 -5.938 -13.870 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.769 -4.313 -11.833 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.332 -3.722 -13.424 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.027 -6.192 -12.857 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.637 -4.637 -13.389 1.00 0.00 H new ATOM 1662 N ALA B 48 0.065 -4.723 -11.069 1.00 0.00 N ATOM 1663 CA ALA B 48 1.145 -3.984 -10.449 1.00 0.00 C ATOM 1664 C ALA B 48 2.471 -4.651 -10.681 1.00 0.00 C ATOM 1665 O ALA B 48 3.424 -4.019 -11.097 1.00 0.00 O ATOM 1666 CB ALA B 48 0.896 -3.964 -8.954 1.00 0.00 C ATOM 0 H ALA B 48 -0.535 -5.214 -10.406 1.00 0.00 H new ATOM 0 HA ALA B 48 1.174 -2.983 -10.879 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.696 -3.413 -8.459 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.059 -3.479 -8.751 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.872 -4.986 -8.575 1.00 0.00 H new ATOM 1672 N LYS B 49 2.509 -5.942 -10.431 1.00 0.00 N ATOM 1673 CA LYS B 49 3.715 -6.704 -10.637 1.00 0.00 C ATOM 1674 C LYS B 49 4.053 -6.644 -12.117 1.00 0.00 C ATOM 1675 O LYS B 49 5.211 -6.529 -12.498 1.00 0.00 O ATOM 1676 CB LYS B 49 3.495 -8.127 -10.119 1.00 0.00 C ATOM 1677 CG LYS B 49 3.549 -8.133 -8.588 1.00 0.00 C ATOM 1678 CD LYS B 49 3.559 -9.581 -8.076 1.00 0.00 C ATOM 1679 CE LYS B 49 2.179 -10.226 -8.269 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.679 -10.726 -6.959 1.00 0.00 N ATOM 0 H LYS B 49 1.717 -6.483 -10.085 1.00 0.00 H new ATOM 0 HA LYS B 49 4.563 -6.299 -10.085 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.531 -8.503 -10.460 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.258 -8.793 -10.522 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.441 -7.609 -8.244 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.690 -7.599 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.315 -10.157 -8.610 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.831 -9.599 -7.021 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.481 -9.499 -8.684 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.246 -11.047 -8.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.642 -10.799 -6.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.087 -11.663 -6.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.958 -10.065 -6.206 1.00 0.00 H new ATOM 1694 N LYS B 50 2.997 -6.638 -12.928 1.00 0.00 N ATOM 1695 CA LYS B 50 3.107 -6.508 -14.371 1.00 0.00 C ATOM 1696 C LYS B 50 3.589 -5.111 -14.733 1.00 0.00 C ATOM 1697 O LYS B 50 4.390 -4.945 -15.642 1.00 0.00 O ATOM 1698 CB LYS B 50 1.741 -6.742 -14.991 1.00 0.00 C ATOM 1699 CG LYS B 50 1.844 -6.809 -16.521 1.00 0.00 C ATOM 1700 CD LYS B 50 0.481 -7.207 -17.108 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.488 -6.018 -17.054 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.825 -6.449 -17.550 1.00 0.00 N ATOM 0 H LYS B 50 2.037 -6.724 -12.596 1.00 0.00 H new ATOM 0 HA LYS B 50 3.822 -7.240 -14.747 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.317 -7.671 -14.609 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.063 -5.939 -14.702 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.155 -5.843 -16.918 1.00 0.00 H new ATOM 0 HG3 LYS B 50 2.604 -7.534 -16.814 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.604 -7.539 -18.139 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.068 -8.047 -16.550 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.569 -5.646 -16.033 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.109 -5.197 -17.663 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.553 -5.795 -17.198 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.828 -6.443 -18.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.029 -7.410 -17.209 1.00 0.00 H new ATOM 1716 N LEU B 51 3.085 -4.107 -14.012 1.00 0.00 N ATOM 1717 CA LEU B 51 3.482 -2.724 -14.264 1.00 0.00 C ATOM 1718 C LEU B 51 4.916 -2.545 -13.860 1.00 0.00 C ATOM 1719 O LEU B 51 5.709 -1.925 -14.566 1.00 0.00 O ATOM 1720 CB LEU B 51 2.598 -1.749 -13.480 1.00 0.00 C ATOM 1721 CG LEU B 51 1.694 -0.988 -14.446 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.551 -0.019 -15.275 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.953 -1.984 -15.364 1.00 0.00 C ATOM 0 H LEU B 51 2.409 -4.225 -13.258 1.00 0.00 H new ATOM 0 HA LEU B 51 3.363 -2.511 -15.326 1.00 0.00 H new ATOM 0 HB2 LEU B 51 1.995 -2.293 -12.753 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.219 -1.050 -12.919 1.00 0.00 H new ATOM 0 HG LEU B 51 0.950 -0.418 -13.889 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.913 0.529 -15.968 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.052 0.684 -14.610 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.297 -0.582 -15.836 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.309 -1.435 -16.051 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.680 -2.565 -15.932 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.346 -2.656 -14.757 1.00 0.00 H new ATOM 1735 N ASN B 52 5.243 -3.147 -12.736 1.00 0.00 N ATOM 1736 CA ASN B 52 6.599 -3.121 -12.247 1.00 0.00 C ATOM 1737 C ASN B 52 7.451 -3.808 -13.282 1.00 0.00 C ATOM 1738 O ASN B 52 8.550 -3.363 -13.604 1.00 0.00 O ATOM 1739 CB ASN B 52 6.688 -3.841 -10.907 1.00 0.00 C ATOM 1740 CG ASN B 52 8.145 -4.052 -10.508 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.696 -3.299 -9.709 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.800 -5.038 -11.035 1.00 0.00 N ATOM 0 H ASN B 52 4.587 -3.659 -12.146 1.00 0.00 H new ATOM 0 HA ASN B 52 6.941 -2.098 -12.088 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.176 -3.259 -10.141 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.179 -4.803 -10.970 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.777 -5.192 -10.787 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.338 -5.661 -11.698 1.00 0.00 H new ATOM 1749 N ASP B 53 6.883 -4.878 -13.835 1.00 0.00 N ATOM 1750 CA ASP B 53 7.555 -5.621 -14.894 1.00 0.00 C ATOM 1751 C ASP B 53 7.640 -4.745 -16.142 1.00 0.00 C ATOM 1752 O ASP B 53 8.619 -4.792 -16.888 1.00 0.00 O ATOM 1753 CB ASP B 53 6.798 -6.920 -15.217 1.00 0.00 C ATOM 1754 CG ASP B 53 6.888 -7.930 -14.063 1.00 0.00 C ATOM 1755 OD1 ASP B 53 7.770 -7.797 -13.225 1.00 0.00 O ATOM 1756 OD2 ASP B 53 6.064 -8.830 -14.035 1.00 0.00 O ATOM 0 H ASP B 53 5.969 -5.245 -13.570 1.00 0.00 H new ATOM 0 HA ASP B 53 8.557 -5.887 -14.558 1.00 0.00 H new ATOM 0 HB2 ASP B 53 5.752 -6.691 -15.420 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.208 -7.365 -16.123 1.00 0.00 H new ATOM 1761 N ALA B 54 6.591 -3.946 -16.346 1.00 0.00 N ATOM 1762 CA ALA B 54 6.506 -3.044 -17.485 1.00 0.00 C ATOM 1763 C ALA B 54 7.579 -1.963 -17.395 1.00 0.00 C ATOM 1764 O ALA B 54 8.175 -1.582 -18.404 1.00 0.00 O ATOM 1765 CB ALA B 54 5.119 -2.402 -17.514 1.00 0.00 C ATOM 0 H ALA B 54 5.782 -3.909 -15.726 1.00 0.00 H new ATOM 0 HA ALA B 54 6.668 -3.611 -18.402 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.049 -1.725 -18.365 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.360 -3.179 -17.605 1.00 0.00 H new ATOM 0 HB3 ALA B 54 4.957 -1.843 -16.592 1.00 0.00 H new ATOM 1771 N GLN B 55 7.817 -1.479 -16.174 1.00 0.00 N ATOM 1772 CA GLN B 55 8.818 -0.444 -15.938 1.00 0.00 C ATOM 1773 C GLN B 55 10.177 -1.052 -15.595 1.00 0.00 C ATOM 1774 O GLN B 55 11.169 -0.330 -15.460 1.00 0.00 O ATOM 1775 CB GLN B 55 8.355 0.428 -14.793 1.00 0.00 C ATOM 1776 CG GLN B 55 7.081 1.174 -15.180 1.00 0.00 C ATOM 1777 CD GLN B 55 6.267 1.449 -13.928 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.023 2.603 -13.582 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.842 0.440 -13.219 1.00 0.00 N ATOM 0 H GLN B 55 7.328 -1.790 -15.334 1.00 0.00 H new ATOM 0 HA GLN B 55 8.932 0.145 -16.848 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.172 -0.185 -13.910 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.137 1.141 -14.530 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.330 2.110 -15.680 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.498 0.582 -15.885 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.049 -0.514 -13.514 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.302 0.605 -12.369 1.00 0.00 H new ATOM 1788 N ALA B 56 10.214 -2.377 -15.444 1.00 0.00 N ATOM 1789 CA ALA B 56 11.458 -3.069 -15.101 1.00 0.00 C ATOM 1790 C ALA B 56 12.478 -2.958 -16.223 1.00 0.00 C ATOM 1791 O ALA B 56 12.137 -2.607 -17.355 1.00 0.00 O ATOM 1792 CB ALA B 56 11.197 -4.548 -14.816 1.00 0.00 C ATOM 0 H ALA B 56 9.405 -2.988 -15.553 1.00 0.00 H new ATOM 0 HA ALA B 56 11.856 -2.589 -14.207 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.136 -5.041 -14.564 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.503 -4.641 -13.981 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.766 -5.018 -15.700 1.00 0.00 H new ATOM 1798 N PRO B 57 13.723 -3.246 -15.924 1.00 0.00 N ATOM 1799 CA PRO B 57 14.826 -3.175 -16.906 1.00 0.00 C ATOM 1800 C PRO B 57 14.899 -4.427 -17.775 1.00 0.00 C ATOM 1801 O PRO B 57 14.078 -5.339 -17.648 1.00 0.00 O ATOM 1802 CB PRO B 57 16.084 -3.025 -16.029 1.00 0.00 C ATOM 1803 CG PRO B 57 15.619 -3.044 -14.606 1.00 0.00 C ATOM 1804 CD PRO B 57 14.242 -3.674 -14.622 1.00 0.00 C ATOM 0 HA PRO B 57 14.700 -2.354 -17.612 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.787 -3.837 -16.218 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.604 -2.094 -16.254 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.303 -3.618 -13.980 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.581 -2.035 -14.195 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.290 -4.760 -14.539 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.622 -3.319 -13.799 1.00 0.00 H new ATOM 1812 N LYS B 58 15.889 -4.447 -18.658 1.00 0.00 N ATOM 1813 CA LYS B 58 16.098 -5.562 -19.572 1.00 0.00 C ATOM 1814 C LYS B 58 17.201 -6.490 -19.060 1.00 0.00 C ATOM 1815 O LYS B 58 18.201 -5.983 -18.575 1.00 0.00 O ATOM 1816 CB LYS B 58 16.476 -5.010 -20.937 1.00 0.00 C ATOM 1817 CG LYS B 58 15.260 -4.312 -21.570 1.00 0.00 C ATOM 1818 CD LYS B 58 15.727 -3.224 -22.550 1.00 0.00 C ATOM 1819 CE LYS B 58 16.362 -3.863 -23.794 1.00 0.00 C ATOM 1820 NZ LYS B 58 17.783 -4.215 -23.507 1.00 0.00 N ATOM 1821 OXT LYS B 58 17.031 -7.694 -19.160 1.00 0.00 O ATOM 0 H LYS B 58 16.568 -3.693 -18.761 1.00 0.00 H new ATOM 0 HA LYS B 58 15.178 -6.143 -19.643 1.00 0.00 H new ATOM 0 HB2 LYS B 58 17.302 -4.305 -20.839 1.00 0.00 H new ATOM 0 HB3 LYS B 58 16.821 -5.817 -21.583 1.00 0.00 H new ATOM 0 HG2 LYS B 58 14.643 -5.043 -22.093 1.00 0.00 H new ATOM 0 HG3 LYS B 58 14.639 -3.869 -20.791 1.00 0.00 H new ATOM 0 HD2 LYS B 58 14.881 -2.603 -22.844 1.00 0.00 H new ATOM 0 HD3 LYS B 58 16.448 -2.570 -22.061 1.00 0.00 H new ATOM 0 HE2 LYS B 58 15.806 -4.756 -24.080 1.00 0.00 H new ATOM 0 HE3 LYS B 58 16.311 -3.173 -24.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 18.375 -3.965 -24.325 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 18.109 -3.690 -22.670 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 17.858 -5.236 -23.325 1.00 0.00 H new TER 1835 LYS B 58