USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 967 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 SER OG : rot 137:sc= 1.24 USER MOD Set 1.2: A 118 ASN : amide:sc= 0.932 K(o=2.2,f=-0.26) USER MOD Set 2.1: A 96 THR OG1 : rot -96:sc= 1.12 USER MOD Set 2.2: A 98 ASN : amide:sc= 0.26 K(o=1.4,f=-0.55) USER MOD Set 3.1: A 84 THR OG1 : rot -160:sc= -0.0463 USER MOD Set 3.2: A 130 THR OG1 : rot 7:sc= 0.303 USER MOD Set 4.1: A 63 SER OG : rot 180:sc=-0.00819 USER MOD Set 4.2: A 105 SER OG : rot -44:sc= 0.23 USER MOD Set 5.1: A 22 GLN :FLIP amide:sc= -0.452 X(o=-0.74,f=-0.48) USER MOD Set 5.2: A 62 ASN : amide:sc= -0.0316 X(o=-0.48,f=-0.74) USER MOD Set 6.1: A 16 LYS NZ :NH3+ 179:sc= 1.92 (180deg=1.18) USER MOD Set 6.2: A 123 GLN : amide:sc= -9.03! C(o=-7.1!,f=-14!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 40:sc= 0.309 USER MOD Single : A 13 HIS : no HE2:sc= 0.931 K(o=0.93,f=-4.5!) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 21 SER OG : rot 167:sc= 0.502 USER MOD Single : A 24 SER OG : rot 140:sc= 0.0523 USER MOD Single : A 25 ASN : amide:sc= -2.21! C(o=-2.2!,f=-2.7!) USER MOD Single : A 26 THR OG1 : rot 112:sc= 1.4 USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0.0563 (180deg=0.0154) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00612 USER MOD Single : A 42 MET CE :methyl -164:sc= -2.34! (180deg=-3.21!) USER MOD Single : A 45 GLN : amide:sc= 1.18 K(o=1.2,f=-2.8!) USER MOD Single : A 47 GLN : amide:sc= -1.82! C(o=-1.8!,f=-5.9!) USER MOD Single : A 56 SER OG : rot -82:sc= 1.14 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 162:sc= -0.0329 USER MOD Single : A 71 THR OG1 : rot -90:sc= 0.0755 USER MOD Single : A 75 MET CE :methyl 166:sc= -0.0108 (180deg=-0.252) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.039 F(o=-0.79,f=-0.039) USER MOD Single : A 78 LYS NZ :NH3+ -132:sc= 0.462 (180deg=-0.0925) USER MOD Single : A 81 ASN : amide:sc= -1.6! C(o=-1.6!,f=-12!) USER MOD Single : A 83 SER OG : rot 29:sc= 0.582 USER MOD Single : A 86 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.32) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 102:sc= 0.113 USER MOD Single : A 100 SER OG : rot 19:sc= 0.677 USER MOD Single : A 108 LYS NZ :NH3+ 170:sc=-0.000135 (180deg=-0.126) USER MOD Single : A 110 THR OG1 : rot 160:sc= -0.0632 USER MOD Single : A 113 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 115 ASN :FLIP amide:sc= -1.22 F(o=-2.8!,f=-1.2) USER MOD Single : A 124 LYS NZ :NH3+ 178:sc= 2.4 (180deg=2.38) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= -0.0702 X(o=-0.07,f=0.0073) USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 15.748 -10.725 -3.472 1.00 0.00 N ATOM 47 CA LEU A 4 16.637 -10.329 -4.558 1.00 0.00 C ATOM 48 C LEU A 4 17.351 -9.025 -4.191 1.00 0.00 C ATOM 49 O LEU A 4 17.228 -8.524 -3.067 1.00 0.00 O ATOM 50 CB LEU A 4 15.847 -10.143 -5.917 1.00 0.00 C ATOM 51 CG LEU A 4 15.100 -11.365 -6.523 1.00 0.00 C ATOM 52 CD1 LEU A 4 13.889 -11.780 -5.701 1.00 0.00 C ATOM 53 CD2 LEU A 4 14.674 -11.067 -7.945 1.00 0.00 C ATOM 0 HA LEU A 4 17.369 -11.124 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 4 15.115 -9.350 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 4 16.555 -9.786 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 4 15.802 -12.199 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 4 13.407 -12.637 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.208 -12.050 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.184 -10.951 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.152 -11.931 -8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.009 -10.204 -7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.554 -10.852 -8.551 1.00 0.00 H new ATOM 65 N GLU A 5 18.084 -8.478 -5.100 1.00 0.00 N ATOM 66 CA GLU A 5 18.800 -7.261 -4.810 1.00 0.00 C ATOM 67 C GLU A 5 18.015 -6.016 -5.139 1.00 0.00 C ATOM 68 O GLU A 5 17.232 -5.975 -6.084 1.00 0.00 O ATOM 69 CB GLU A 5 20.179 -7.225 -5.431 1.00 0.00 C ATOM 70 CG GLU A 5 21.147 -8.235 -4.855 1.00 0.00 C ATOM 71 CD GLU A 5 22.530 -8.030 -5.384 1.00 0.00 C ATOM 72 OE1 GLU A 5 23.189 -7.051 -4.977 1.00 0.00 O ATOM 73 OE2 GLU A 5 22.986 -8.816 -6.235 1.00 0.00 O ATOM 0 H GLU A 5 18.209 -8.842 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 5 18.938 -7.268 -3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 5 20.087 -7.398 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.596 -6.226 -5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.156 -8.153 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.809 -9.243 -5.096 1.00 0.00 H new ATOM 80 N CYS A 6 18.215 -5.026 -4.326 1.00 0.00 N ATOM 81 CA CYS A 6 17.590 -3.747 -4.454 1.00 0.00 C ATOM 82 C CYS A 6 18.615 -2.674 -4.044 1.00 0.00 C ATOM 83 O CYS A 6 19.671 -3.032 -3.483 1.00 0.00 O ATOM 84 CB CYS A 6 16.371 -3.703 -3.534 1.00 0.00 C ATOM 85 SG CYS A 6 16.750 -3.948 -1.767 1.00 0.00 S ATOM 0 H CYS A 6 18.842 -5.089 -3.524 1.00 0.00 H new ATOM 0 HA CYS A 6 17.264 -3.566 -5.478 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.874 -2.741 -3.656 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.664 -4.470 -3.851 1.00 0.00 H new ATOM 90 N PRO A 7 18.356 -1.365 -4.329 1.00 0.00 N ATOM 91 CA PRO A 7 19.256 -0.266 -3.931 1.00 0.00 C ATOM 92 C PRO A 7 19.542 -0.268 -2.419 1.00 0.00 C ATOM 93 O PRO A 7 18.683 -0.648 -1.609 1.00 0.00 O ATOM 94 CB PRO A 7 18.489 0.992 -4.348 1.00 0.00 C ATOM 95 CG PRO A 7 17.595 0.535 -5.442 1.00 0.00 C ATOM 96 CD PRO A 7 17.191 -0.855 -5.077 1.00 0.00 C ATOM 0 HA PRO A 7 20.238 -0.346 -4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 7 17.919 1.404 -3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.166 1.775 -4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 7 16.725 1.185 -5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 7 18.110 0.554 -6.403 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.287 -0.864 -4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 7 16.985 -1.459 -5.961 1.00 0.00 H new ATOM 104 N GLN A 8 20.731 0.182 -2.061 1.00 0.00 N ATOM 105 CA GLN A 8 21.249 0.114 -0.685 1.00 0.00 C ATOM 106 C GLN A 8 20.408 0.876 0.349 1.00 0.00 C ATOM 107 O GLN A 8 20.297 0.452 1.498 1.00 0.00 O ATOM 108 CB GLN A 8 22.698 0.610 -0.629 1.00 0.00 C ATOM 109 CG GLN A 8 22.883 2.058 -1.070 1.00 0.00 C ATOM 110 CD GLN A 8 24.301 2.529 -0.929 1.00 0.00 C ATOM 111 OE1 GLN A 8 25.108 2.404 -1.849 1.00 0.00 O ATOM 112 NE2 GLN A 8 24.624 3.058 0.210 1.00 0.00 N ATOM 0 H GLN A 8 21.381 0.613 -2.718 1.00 0.00 H new ATOM 0 HA GLN A 8 21.193 -0.940 -0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 8 23.067 0.503 0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.314 -0.031 -1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.572 2.159 -2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 8 22.231 2.700 -0.478 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.926 3.144 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.576 3.388 0.367 1.00 0.00 H new ATOM 121 N ASP A 9 19.810 1.980 -0.053 1.00 0.00 N ATOM 122 CA ASP A 9 19.080 2.837 0.890 1.00 0.00 C ATOM 123 C ASP A 9 17.671 2.354 1.074 1.00 0.00 C ATOM 124 O ASP A 9 16.936 2.838 1.948 1.00 0.00 O ATOM 125 CB ASP A 9 19.079 4.310 0.458 1.00 0.00 C ATOM 126 CG ASP A 9 20.468 4.888 0.303 1.00 0.00 C ATOM 127 OD1 ASP A 9 21.180 5.066 1.311 1.00 0.00 O ATOM 128 OD2 ASP A 9 20.880 5.152 -0.846 1.00 0.00 O ATOM 0 H ASP A 9 19.809 2.312 -1.017 1.00 0.00 H new ATOM 0 HA ASP A 9 19.606 2.773 1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.546 4.404 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.529 4.897 1.193 1.00 0.00 H new ATOM 133 N TRP A 10 17.303 1.397 0.273 1.00 0.00 N ATOM 134 CA TRP A 10 16.004 0.797 0.327 1.00 0.00 C ATOM 135 C TRP A 10 15.988 -0.298 1.399 1.00 0.00 C ATOM 136 O TRP A 10 17.038 -0.840 1.764 1.00 0.00 O ATOM 137 CB TRP A 10 15.618 0.253 -1.054 1.00 0.00 C ATOM 138 CG TRP A 10 15.225 1.301 -2.065 1.00 0.00 C ATOM 139 CD1 TRP A 10 15.909 2.434 -2.415 1.00 0.00 C ATOM 140 CD2 TRP A 10 14.053 1.280 -2.879 1.00 0.00 C ATOM 141 NE1 TRP A 10 15.209 3.121 -3.381 1.00 0.00 N ATOM 142 CE2 TRP A 10 14.075 2.433 -3.682 1.00 0.00 C ATOM 143 CE3 TRP A 10 12.980 0.401 -2.998 1.00 0.00 C ATOM 144 CZ2 TRP A 10 13.067 2.722 -4.592 1.00 0.00 C ATOM 145 CZ3 TRP A 10 11.984 0.691 -3.900 1.00 0.00 C ATOM 146 CH2 TRP A 10 12.033 1.841 -4.684 1.00 0.00 C ATOM 0 H TRP A 10 17.909 1.006 -0.448 1.00 0.00 H new ATOM 0 HA TRP A 10 15.261 1.546 0.602 1.00 0.00 H new ATOM 0 HB2 TRP A 10 16.458 -0.316 -1.451 1.00 0.00 H new ATOM 0 HB3 TRP A 10 14.789 -0.444 -0.934 1.00 0.00 H new ATOM 0 HD1 TRP A 10 16.855 2.743 -1.996 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.495 4.004 -3.803 1.00 0.00 H new ATOM 0 HE3 TRP A 10 12.931 -0.492 -2.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 13.102 3.612 -5.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 11.148 0.015 -4.003 1.00 0.00 H new ATOM 0 HH2 TRP A 10 11.232 2.039 -5.381 1.00 0.00 H new ATOM 157 N LEU A 11 14.821 -0.582 1.917 1.00 0.00 N ATOM 158 CA LEU A 11 14.632 -1.536 3.017 1.00 0.00 C ATOM 159 C LEU A 11 14.206 -2.868 2.507 1.00 0.00 C ATOM 160 O LEU A 11 13.064 -3.060 2.111 1.00 0.00 O ATOM 161 CB LEU A 11 13.590 -1.031 4.030 1.00 0.00 C ATOM 162 CG LEU A 11 13.981 0.090 5.007 1.00 0.00 C ATOM 163 CD1 LEU A 11 14.625 1.251 4.298 1.00 0.00 C ATOM 164 CD2 LEU A 11 12.740 0.564 5.734 1.00 0.00 C ATOM 0 H LEU A 11 13.952 -0.158 1.592 1.00 0.00 H new ATOM 0 HA LEU A 11 15.596 -1.632 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.723 -0.688 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.267 -1.886 4.623 1.00 0.00 H new ATOM 0 HG LEU A 11 14.709 -0.310 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.886 2.021 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.527 0.911 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.929 1.662 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.007 1.359 6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.017 0.942 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.301 -0.268 6.285 1.00 0.00 H new ATOM 176 N SER A 12 15.096 -3.768 2.518 1.00 0.00 N ATOM 177 CA SER A 12 14.827 -5.076 2.032 1.00 0.00 C ATOM 178 C SER A 12 14.209 -5.952 3.129 1.00 0.00 C ATOM 179 O SER A 12 14.874 -6.300 4.105 1.00 0.00 O ATOM 180 CB SER A 12 16.113 -5.659 1.464 1.00 0.00 C ATOM 181 OG SER A 12 17.155 -5.692 2.443 1.00 0.00 O ATOM 0 H SER A 12 16.045 -3.631 2.865 1.00 0.00 H new ATOM 0 HA SER A 12 14.088 -5.037 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.925 -6.668 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.435 -5.065 0.609 1.00 0.00 H new ATOM 0 HG SER A 12 16.782 -5.962 3.308 1.00 0.00 H new ATOM 187 N HIS A 13 12.947 -6.287 2.967 1.00 0.00 N ATOM 188 CA HIS A 13 12.225 -7.089 3.934 1.00 0.00 C ATOM 189 C HIS A 13 11.479 -8.156 3.203 1.00 0.00 C ATOM 190 O HIS A 13 10.820 -7.866 2.197 1.00 0.00 O ATOM 191 CB HIS A 13 11.232 -6.227 4.758 1.00 0.00 C ATOM 192 CG HIS A 13 10.357 -7.007 5.741 1.00 0.00 C ATOM 193 ND1 HIS A 13 8.981 -7.109 5.630 1.00 0.00 N ATOM 194 CD2 HIS A 13 10.674 -7.689 6.868 1.00 0.00 C ATOM 195 CE1 HIS A 13 8.507 -7.799 6.644 1.00 0.00 C ATOM 196 NE2 HIS A 13 9.505 -8.161 7.404 1.00 0.00 N ATOM 0 H HIS A 13 12.390 -6.010 2.159 1.00 0.00 H new ATOM 0 HA HIS A 13 12.939 -7.528 4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.798 -5.480 5.314 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.584 -5.687 4.068 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.421 -6.710 4.877 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.666 -7.834 7.270 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.466 -8.028 6.819 1.00 0.00 H new ATOM 205 N ARG A 14 11.606 -9.380 3.687 1.00 0.00 N ATOM 206 CA ARG A 14 10.910 -10.525 3.141 1.00 0.00 C ATOM 207 C ARG A 14 11.378 -10.875 1.741 1.00 0.00 C ATOM 208 O ARG A 14 12.346 -11.616 1.556 1.00 0.00 O ATOM 209 CB ARG A 14 9.377 -10.324 3.175 1.00 0.00 C ATOM 210 CG ARG A 14 8.696 -10.682 4.481 1.00 0.00 C ATOM 211 CD ARG A 14 8.825 -12.165 4.731 1.00 0.00 C ATOM 212 NE ARG A 14 8.455 -12.915 3.512 1.00 0.00 N ATOM 213 CZ ARG A 14 8.572 -14.225 3.315 1.00 0.00 C ATOM 214 NH1 ARG A 14 8.856 -15.047 4.320 1.00 0.00 N ATOM 215 NH2 ARG A 14 8.394 -14.704 2.098 1.00 0.00 N ATOM 0 H ARG A 14 12.205 -9.606 4.481 1.00 0.00 H new ATOM 0 HA ARG A 14 11.157 -11.371 3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.161 -9.280 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.933 -10.922 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.146 -10.124 5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.644 -10.400 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.848 -12.406 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.181 -12.460 5.560 1.00 0.00 H new ATOM 0 HE ARG A 14 8.069 -12.370 2.741 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.988 -14.676 5.261 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.942 -16.049 4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.171 -14.072 1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.480 -15.706 1.927 1.00 0.00 H new ATOM 229 N ASP A 15 10.717 -10.292 0.792 1.00 0.00 N ATOM 230 CA ASP A 15 10.933 -10.513 -0.601 1.00 0.00 C ATOM 231 C ASP A 15 10.496 -9.281 -1.368 1.00 0.00 C ATOM 232 O ASP A 15 9.974 -9.362 -2.474 1.00 0.00 O ATOM 233 CB ASP A 15 10.199 -11.792 -1.078 1.00 0.00 C ATOM 234 CG ASP A 15 8.747 -11.901 -0.670 1.00 0.00 C ATOM 235 OD1 ASP A 15 7.910 -11.219 -1.240 1.00 0.00 O ATOM 236 OD2 ASP A 15 8.422 -12.754 0.215 1.00 0.00 O ATOM 0 H ASP A 15 9.976 -9.616 0.978 1.00 0.00 H new ATOM 0 HA ASP A 15 11.994 -10.679 -0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.257 -11.839 -2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.733 -12.661 -0.693 1.00 0.00 H new ATOM 241 N LYS A 16 10.725 -8.111 -0.761 1.00 0.00 N ATOM 242 CA LYS A 16 10.560 -6.817 -1.422 1.00 0.00 C ATOM 243 C LYS A 16 11.512 -5.833 -0.778 1.00 0.00 C ATOM 244 O LYS A 16 12.137 -6.145 0.238 1.00 0.00 O ATOM 245 CB LYS A 16 9.144 -6.209 -1.375 1.00 0.00 C ATOM 246 CG LYS A 16 7.990 -7.027 -1.988 1.00 0.00 C ATOM 247 CD LYS A 16 7.415 -8.083 -1.065 1.00 0.00 C ATOM 248 CE LYS A 16 6.980 -7.493 0.246 1.00 0.00 C ATOM 249 NZ LYS A 16 5.955 -6.436 0.116 1.00 0.00 N ATOM 0 H LYS A 16 11.032 -8.038 0.209 1.00 0.00 H new ATOM 0 HA LYS A 16 10.765 -7.003 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.898 -6.013 -0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.177 -5.244 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.192 -6.345 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.346 -7.511 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.565 -8.565 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.162 -8.857 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.589 -8.289 0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.851 -7.080 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.693 -6.089 1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.337 -5.650 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.114 -6.824 -0.356 1.00 0.00 H new ATOM 263 N CYS A 17 11.647 -4.679 -1.356 1.00 0.00 N ATOM 264 CA CYS A 17 12.525 -3.669 -0.815 1.00 0.00 C ATOM 265 C CYS A 17 11.779 -2.349 -0.847 1.00 0.00 C ATOM 266 O CYS A 17 11.211 -2.017 -1.856 1.00 0.00 O ATOM 267 CB CYS A 17 13.779 -3.635 -1.653 1.00 0.00 C ATOM 268 SG CYS A 17 15.248 -2.952 -0.852 1.00 0.00 S ATOM 0 H CYS A 17 11.159 -4.405 -2.209 1.00 0.00 H new ATOM 0 HA CYS A 17 12.816 -3.878 0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 17 14.005 -4.652 -1.975 1.00 0.00 H new ATOM 0 HB3 CYS A 17 13.576 -3.053 -2.552 1.00 0.00 H new ATOM 273 N PHE A 18 11.782 -1.627 0.246 1.00 0.00 N ATOM 274 CA PHE A 18 10.907 -0.444 0.427 1.00 0.00 C ATOM 275 C PHE A 18 11.669 0.887 0.456 1.00 0.00 C ATOM 276 O PHE A 18 12.830 0.942 0.834 1.00 0.00 O ATOM 277 CB PHE A 18 10.162 -0.568 1.773 1.00 0.00 C ATOM 278 CG PHE A 18 9.474 -1.887 2.010 1.00 0.00 C ATOM 279 CD1 PHE A 18 8.736 -2.499 1.017 1.00 0.00 C ATOM 280 CD2 PHE A 18 9.593 -2.523 3.230 1.00 0.00 C ATOM 281 CE1 PHE A 18 8.129 -3.714 1.237 1.00 0.00 C ATOM 282 CE2 PHE A 18 8.989 -3.739 3.456 1.00 0.00 C ATOM 283 CZ PHE A 18 8.256 -4.335 2.457 1.00 0.00 C ATOM 0 H PHE A 18 12.382 -1.824 1.047 1.00 0.00 H new ATOM 0 HA PHE A 18 10.234 -0.432 -0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.874 -0.399 2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.418 0.227 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.634 -2.018 0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.168 -2.060 4.018 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.553 -4.180 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.091 -4.224 4.416 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.781 -5.289 2.630 1.00 0.00 H new ATOM 293 N HIS A 19 10.984 1.945 0.043 1.00 0.00 N ATOM 294 CA HIS A 19 11.458 3.319 0.143 1.00 0.00 C ATOM 295 C HIS A 19 10.253 4.192 0.527 1.00 0.00 C ATOM 296 O HIS A 19 9.319 4.343 -0.269 1.00 0.00 O ATOM 297 CB HIS A 19 12.026 3.819 -1.202 1.00 0.00 C ATOM 298 CG HIS A 19 12.846 5.089 -1.098 1.00 0.00 C ATOM 299 ND1 HIS A 19 12.452 6.291 -1.637 1.00 0.00 N ATOM 300 CD2 HIS A 19 14.056 5.322 -0.526 1.00 0.00 C ATOM 301 CE1 HIS A 19 13.371 7.204 -1.399 1.00 0.00 C ATOM 302 NE2 HIS A 19 14.351 6.645 -0.728 1.00 0.00 N ATOM 0 H HIS A 19 10.060 1.869 -0.382 1.00 0.00 H new ATOM 0 HA HIS A 19 12.255 3.374 0.885 1.00 0.00 H new ATOM 0 HB2 HIS A 19 12.646 3.034 -1.636 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.199 3.989 -1.892 1.00 0.00 H new ATOM 0 HD2 HIS A 19 14.670 4.600 -0.009 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.326 8.239 -1.705 1.00 0.00 H new ATOM 0 HE2 HIS A 19 15.196 7.119 -0.408 1.00 0.00 H new ATOM 311 N VAL A 20 10.257 4.723 1.726 1.00 0.00 N ATOM 312 CA VAL A 20 9.157 5.558 2.212 1.00 0.00 C ATOM 313 C VAL A 20 9.386 7.009 1.814 1.00 0.00 C ATOM 314 O VAL A 20 10.270 7.688 2.359 1.00 0.00 O ATOM 315 CB VAL A 20 9.006 5.472 3.758 1.00 0.00 C ATOM 316 CG1 VAL A 20 7.895 6.400 4.249 1.00 0.00 C ATOM 317 CG2 VAL A 20 8.714 4.043 4.185 1.00 0.00 C ATOM 0 H VAL A 20 11.014 4.596 2.398 1.00 0.00 H new ATOM 0 HA VAL A 20 8.240 5.185 1.756 1.00 0.00 H new ATOM 0 HB VAL A 20 9.947 5.790 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.808 6.322 5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.133 7.428 3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.950 6.112 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.611 4.001 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.788 3.706 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.533 3.395 3.873 1.00 0.00 H new ATOM 327 N SER A 21 8.659 7.444 0.831 1.00 0.00 N ATOM 328 CA SER A 21 8.715 8.796 0.372 1.00 0.00 C ATOM 329 C SER A 21 7.905 9.685 1.323 1.00 0.00 C ATOM 330 O SER A 21 6.689 9.548 1.394 1.00 0.00 O ATOM 331 CB SER A 21 8.113 8.865 -1.024 1.00 0.00 C ATOM 332 OG SER A 21 8.587 7.798 -1.846 1.00 0.00 O ATOM 0 H SER A 21 8.000 6.859 0.317 1.00 0.00 H new ATOM 0 HA SER A 21 9.749 9.141 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.026 8.820 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.364 9.821 -1.484 1.00 0.00 H new ATOM 0 HG SER A 21 8.041 7.743 -2.658 1.00 0.00 H new ATOM 338 N GLN A 22 8.571 10.575 2.040 1.00 0.00 N ATOM 339 CA GLN A 22 7.905 11.524 2.953 1.00 0.00 C ATOM 340 C GLN A 22 7.481 12.793 2.226 1.00 0.00 C ATOM 341 O GLN A 22 7.127 13.793 2.843 1.00 0.00 O ATOM 342 CB GLN A 22 8.766 11.866 4.172 1.00 0.00 C ATOM 343 CG GLN A 22 8.853 10.767 5.228 1.00 0.00 C ATOM 344 CD GLN A 22 7.490 10.388 5.832 1.00 0.00 C ATOM 345 OE1 GLN A 22 6.551 11.328 5.878 1.00 0.00 O flip ATOM 346 NE2 GLN A 22 7.288 9.260 6.253 1.00 0.00 N flip ATOM 0 H GLN A 22 9.586 10.670 2.015 1.00 0.00 H new ATOM 0 HA GLN A 22 7.010 11.020 3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.774 12.103 3.831 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.367 12.767 4.639 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.303 9.880 4.782 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.518 11.094 6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.026 8.558 6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.381 9.020 6.652 1.00 0.00 H new ATOM 355 N VAL A 23 7.497 12.724 0.932 1.00 0.00 N ATOM 356 CA VAL A 23 7.100 13.826 0.089 1.00 0.00 C ATOM 357 C VAL A 23 5.725 13.532 -0.430 1.00 0.00 C ATOM 358 O VAL A 23 5.359 12.365 -0.551 1.00 0.00 O ATOM 359 CB VAL A 23 8.105 14.096 -1.066 1.00 0.00 C ATOM 360 CG1 VAL A 23 9.380 14.686 -0.503 1.00 0.00 C ATOM 361 CG2 VAL A 23 8.426 12.819 -1.830 1.00 0.00 C ATOM 0 H VAL A 23 7.789 11.893 0.417 1.00 0.00 H new ATOM 0 HA VAL A 23 7.095 14.743 0.678 1.00 0.00 H new ATOM 0 HB VAL A 23 7.645 14.800 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.083 14.874 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.154 15.623 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.823 13.986 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.131 13.042 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.867 12.090 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.510 12.410 -2.256 1.00 0.00 H new ATOM 371 N SER A 24 4.963 14.540 -0.721 1.00 0.00 N ATOM 372 CA SER A 24 3.584 14.300 -1.055 1.00 0.00 C ATOM 373 C SER A 24 3.275 14.376 -2.550 1.00 0.00 C ATOM 374 O SER A 24 3.994 15.025 -3.341 1.00 0.00 O ATOM 375 CB SER A 24 2.661 15.203 -0.240 1.00 0.00 C ATOM 376 OG SER A 24 2.933 15.075 1.155 1.00 0.00 O ATOM 0 H SER A 24 5.258 15.516 -0.736 1.00 0.00 H new ATOM 0 HA SER A 24 3.389 13.263 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.794 16.240 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.621 14.943 -0.438 1.00 0.00 H new ATOM 0 HG SER A 24 2.886 15.957 1.580 1.00 0.00 H new ATOM 382 N ASN A 25 2.221 13.675 -2.900 1.00 0.00 N ATOM 383 CA ASN A 25 1.626 13.547 -4.211 1.00 0.00 C ATOM 384 C ASN A 25 0.263 12.933 -4.109 1.00 0.00 C ATOM 385 O ASN A 25 -0.203 12.567 -3.037 1.00 0.00 O ATOM 386 CB ASN A 25 2.400 12.621 -5.131 1.00 0.00 C ATOM 387 CG ASN A 25 3.428 13.263 -6.001 1.00 0.00 C ATOM 388 OD1 ASN A 25 3.414 14.472 -6.243 1.00 0.00 O ATOM 389 ND2 ASN A 25 4.237 12.446 -6.594 1.00 0.00 N ATOM 0 H ASN A 25 1.710 13.128 -2.207 1.00 0.00 H new ATOM 0 HA ASN A 25 1.613 14.560 -4.612 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.893 11.865 -4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.688 12.100 -5.770 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.895 12.796 -7.290 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.217 11.452 -6.365 1.00 0.00 H new ATOM 396 N THR A 26 -0.354 12.810 -5.226 1.00 0.00 N ATOM 397 CA THR A 26 -1.553 12.091 -5.368 1.00 0.00 C ATOM 398 C THR A 26 -1.170 10.621 -5.688 1.00 0.00 C ATOM 399 O THR A 26 0.010 10.350 -6.021 1.00 0.00 O ATOM 400 CB THR A 26 -2.384 12.753 -6.474 1.00 0.00 C ATOM 401 OG1 THR A 26 -1.500 13.140 -7.550 1.00 0.00 O ATOM 402 CG2 THR A 26 -3.090 13.990 -5.949 1.00 0.00 C ATOM 0 H THR A 26 -0.020 13.225 -6.096 1.00 0.00 H new ATOM 0 HA THR A 26 -2.163 12.095 -4.465 1.00 0.00 H new ATOM 0 HB THR A 26 -3.134 12.044 -6.825 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.690 12.594 -8.342 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.673 14.444 -6.750 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.753 13.711 -5.130 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.351 14.705 -5.589 1.00 0.00 H new ATOM 410 N TRP A 27 -2.116 9.699 -5.587 1.00 0.00 N ATOM 411 CA TRP A 27 -1.831 8.254 -5.708 1.00 0.00 C ATOM 412 C TRP A 27 -1.117 7.885 -7.019 1.00 0.00 C ATOM 413 O TRP A 27 -0.085 7.208 -7.006 1.00 0.00 O ATOM 414 CB TRP A 27 -3.126 7.445 -5.553 1.00 0.00 C ATOM 415 CG TRP A 27 -2.937 5.952 -5.561 1.00 0.00 C ATOM 416 CD1 TRP A 27 -2.647 5.165 -4.492 1.00 0.00 C ATOM 417 CD2 TRP A 27 -3.039 5.073 -6.687 1.00 0.00 C ATOM 418 NE1 TRP A 27 -2.544 3.859 -4.878 1.00 0.00 N ATOM 419 CE2 TRP A 27 -2.782 3.772 -6.224 1.00 0.00 C ATOM 420 CE3 TRP A 27 -3.315 5.265 -8.043 1.00 0.00 C ATOM 421 CZ2 TRP A 27 -2.797 2.668 -7.066 1.00 0.00 C ATOM 422 CZ3 TRP A 27 -3.329 4.173 -8.878 1.00 0.00 C ATOM 423 CH2 TRP A 27 -3.070 2.889 -8.389 1.00 0.00 C ATOM 0 H TRP A 27 -3.099 9.916 -5.420 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.142 8.000 -4.902 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.608 7.732 -4.619 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.807 7.716 -6.360 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.517 5.521 -3.481 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.325 3.075 -4.263 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.514 6.254 -8.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.601 1.674 -6.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.543 4.309 -9.928 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.086 2.052 -9.071 1.00 0.00 H new ATOM 434 N GLU A 28 -1.643 8.360 -8.128 1.00 0.00 N ATOM 435 CA GLU A 28 -1.133 8.040 -9.424 1.00 0.00 C ATOM 436 C GLU A 28 0.258 8.631 -9.687 1.00 0.00 C ATOM 437 O GLU A 28 1.074 8.021 -10.376 1.00 0.00 O ATOM 438 CB GLU A 28 -2.173 8.365 -10.511 1.00 0.00 C ATOM 439 CG GLU A 28 -3.159 9.498 -10.192 1.00 0.00 C ATOM 440 CD GLU A 28 -2.507 10.841 -10.029 1.00 0.00 C ATOM 441 OE1 GLU A 28 -1.890 11.083 -8.988 1.00 0.00 O ATOM 442 OE2 GLU A 28 -2.614 11.682 -10.945 1.00 0.00 O ATOM 0 H GLU A 28 -2.447 8.987 -8.144 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.968 6.963 -9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.641 8.622 -11.427 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.746 7.461 -10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.899 9.558 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.697 9.252 -9.276 1.00 0.00 H new ATOM 449 N GLU A 29 0.523 9.799 -9.128 1.00 0.00 N ATOM 450 CA GLU A 29 1.853 10.384 -9.199 1.00 0.00 C ATOM 451 C GLU A 29 2.857 9.521 -8.492 1.00 0.00 C ATOM 452 O GLU A 29 3.877 9.173 -9.062 1.00 0.00 O ATOM 453 CB GLU A 29 1.910 11.771 -8.603 1.00 0.00 C ATOM 454 CG GLU A 29 1.391 12.855 -9.472 1.00 0.00 C ATOM 455 CD GLU A 29 2.091 12.878 -10.797 1.00 0.00 C ATOM 456 OE1 GLU A 29 3.260 13.310 -10.854 1.00 0.00 O ATOM 457 OE2 GLU A 29 1.508 12.442 -11.802 1.00 0.00 O ATOM 0 H GLU A 29 -0.162 10.360 -8.621 1.00 0.00 H new ATOM 0 HA GLU A 29 2.094 10.452 -10.260 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.344 11.772 -7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.945 11.997 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.321 12.718 -9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.521 13.816 -8.974 1.00 0.00 H new ATOM 464 N GLY A 30 2.544 9.151 -7.252 1.00 0.00 N ATOM 465 CA GLY A 30 3.450 8.334 -6.472 1.00 0.00 C ATOM 466 C GLY A 30 3.679 6.989 -7.114 1.00 0.00 C ATOM 467 O GLY A 30 4.774 6.440 -7.043 1.00 0.00 O ATOM 0 H GLY A 30 1.678 9.404 -6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.403 8.851 -6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.044 8.195 -5.470 1.00 0.00 H new ATOM 471 N LEU A 31 2.639 6.485 -7.766 1.00 0.00 N ATOM 472 CA LEU A 31 2.699 5.249 -8.524 1.00 0.00 C ATOM 473 C LEU A 31 3.809 5.379 -9.588 1.00 0.00 C ATOM 474 O LEU A 31 4.748 4.580 -9.632 1.00 0.00 O ATOM 475 CB LEU A 31 1.299 5.032 -9.196 1.00 0.00 C ATOM 476 CG LEU A 31 1.030 3.753 -10.035 1.00 0.00 C ATOM 477 CD1 LEU A 31 1.759 3.738 -11.375 1.00 0.00 C ATOM 478 CD2 LEU A 31 1.386 2.537 -9.243 1.00 0.00 C ATOM 0 H LEU A 31 1.722 6.930 -7.781 1.00 0.00 H new ATOM 0 HA LEU A 31 2.929 4.395 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.551 5.063 -8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.114 5.889 -9.843 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.035 3.753 -10.265 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.525 2.816 -11.906 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.440 4.592 -11.972 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.834 3.795 -11.205 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.194 1.645 -9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.442 2.574 -8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.782 2.504 -8.336 1.00 0.00 H new ATOM 490 N VAL A 32 3.726 6.447 -10.376 1.00 0.00 N ATOM 491 CA VAL A 32 4.675 6.704 -11.454 1.00 0.00 C ATOM 492 C VAL A 32 6.065 7.008 -10.890 1.00 0.00 C ATOM 493 O VAL A 32 7.091 6.675 -11.500 1.00 0.00 O ATOM 494 CB VAL A 32 4.190 7.857 -12.388 1.00 0.00 C ATOM 495 CG1 VAL A 32 5.195 8.139 -13.500 1.00 0.00 C ATOM 496 CG2 VAL A 32 2.838 7.513 -12.993 1.00 0.00 C ATOM 0 H VAL A 32 3.000 7.158 -10.285 1.00 0.00 H new ATOM 0 HA VAL A 32 4.738 5.799 -12.059 1.00 0.00 H new ATOM 0 HB VAL A 32 4.097 8.756 -11.779 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.823 8.947 -14.130 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.150 8.430 -13.062 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.331 7.242 -14.104 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.512 8.326 -13.642 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.923 6.596 -13.575 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.108 7.371 -12.196 1.00 0.00 H new ATOM 506 N ASP A 33 6.097 7.616 -9.726 1.00 0.00 N ATOM 507 CA ASP A 33 7.348 7.898 -9.046 1.00 0.00 C ATOM 508 C ASP A 33 8.088 6.623 -8.685 1.00 0.00 C ATOM 509 O ASP A 33 9.307 6.548 -8.835 1.00 0.00 O ATOM 510 CB ASP A 33 7.154 8.793 -7.817 1.00 0.00 C ATOM 511 CG ASP A 33 7.232 10.277 -8.140 1.00 0.00 C ATOM 512 OD1 ASP A 33 8.362 10.812 -8.244 1.00 0.00 O ATOM 513 OD2 ASP A 33 6.191 10.946 -8.288 1.00 0.00 O ATOM 0 H ASP A 33 5.266 7.928 -9.224 1.00 0.00 H new ATOM 0 HA ASP A 33 7.966 8.454 -9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.185 8.576 -7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.913 8.549 -7.074 1.00 0.00 H new ATOM 518 N CYS A 34 7.360 5.608 -8.243 1.00 0.00 N ATOM 519 CA CYS A 34 7.972 4.315 -7.934 1.00 0.00 C ATOM 520 C CYS A 34 8.406 3.629 -9.213 1.00 0.00 C ATOM 521 O CYS A 34 9.502 3.046 -9.280 1.00 0.00 O ATOM 522 CB CYS A 34 7.023 3.426 -7.154 1.00 0.00 C ATOM 523 SG CYS A 34 6.428 4.187 -5.614 1.00 0.00 S ATOM 0 H CYS A 34 6.352 5.649 -8.090 1.00 0.00 H new ATOM 0 HA CYS A 34 8.847 4.495 -7.309 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.168 3.179 -7.783 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.526 2.489 -6.917 1.00 0.00 H new ATOM 528 N ASP A 35 7.572 3.746 -10.246 1.00 0.00 N ATOM 529 CA ASP A 35 7.879 3.216 -11.583 1.00 0.00 C ATOM 530 C ASP A 35 9.156 3.819 -12.112 1.00 0.00 C ATOM 531 O ASP A 35 9.907 3.172 -12.836 1.00 0.00 O ATOM 532 CB ASP A 35 6.744 3.488 -12.572 1.00 0.00 C ATOM 533 CG ASP A 35 5.698 2.395 -12.635 1.00 0.00 C ATOM 534 OD1 ASP A 35 5.017 2.124 -11.645 1.00 0.00 O ATOM 535 OD2 ASP A 35 5.528 1.802 -13.733 1.00 0.00 O ATOM 0 H ASP A 35 6.665 4.209 -10.184 1.00 0.00 H new ATOM 0 HA ASP A 35 7.998 2.137 -11.482 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.258 4.425 -12.300 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.169 3.626 -13.566 1.00 0.00 H new ATOM 540 N GLY A 36 9.418 5.047 -11.701 1.00 0.00 N ATOM 541 CA GLY A 36 10.617 5.762 -12.076 1.00 0.00 C ATOM 542 C GLY A 36 11.896 5.074 -11.623 1.00 0.00 C ATOM 543 O GLY A 36 12.952 5.254 -12.232 1.00 0.00 O ATOM 0 H GLY A 36 8.796 5.578 -11.092 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.639 5.877 -13.160 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.582 6.765 -11.650 1.00 0.00 H new ATOM 547 N LYS A 37 11.814 4.279 -10.567 1.00 0.00 N ATOM 548 CA LYS A 37 12.988 3.561 -10.098 1.00 0.00 C ATOM 549 C LYS A 37 12.974 2.150 -10.647 1.00 0.00 C ATOM 550 O LYS A 37 13.840 1.354 -10.336 1.00 0.00 O ATOM 551 CB LYS A 37 13.073 3.461 -8.555 1.00 0.00 C ATOM 552 CG LYS A 37 13.029 4.768 -7.787 1.00 0.00 C ATOM 553 CD LYS A 37 11.630 5.074 -7.316 1.00 0.00 C ATOM 554 CE LYS A 37 11.556 6.387 -6.547 1.00 0.00 C ATOM 555 NZ LYS A 37 11.859 7.562 -7.395 1.00 0.00 N ATOM 0 H LYS A 37 10.964 4.117 -10.028 1.00 0.00 H new ATOM 0 HA LYS A 37 13.849 4.129 -10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.251 2.834 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.998 2.945 -8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.701 4.713 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.388 5.578 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.961 5.120 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.277 4.262 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.559 6.499 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.257 6.355 -5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.696 8.434 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.853 7.524 -7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.241 7.555 -8.231 1.00 0.00 H new ATOM 569 N GLY A 38 11.994 1.841 -11.462 1.00 0.00 N ATOM 570 CA GLY A 38 11.829 0.478 -11.906 1.00 0.00 C ATOM 571 C GLY A 38 11.359 -0.356 -10.744 1.00 0.00 C ATOM 572 O GLY A 38 11.886 -1.433 -10.455 1.00 0.00 O ATOM 0 H GLY A 38 11.309 2.503 -11.826 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.107 0.431 -12.721 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.771 0.090 -12.293 1.00 0.00 H new ATOM 576 N ALA A 39 10.429 0.195 -10.032 1.00 0.00 N ATOM 577 CA ALA A 39 9.870 -0.392 -8.865 1.00 0.00 C ATOM 578 C ALA A 39 8.383 -0.174 -8.919 1.00 0.00 C ATOM 579 O ALA A 39 7.888 0.437 -9.865 1.00 0.00 O ATOM 580 CB ALA A 39 10.472 0.246 -7.624 1.00 0.00 C ATOM 0 H ALA A 39 10.024 1.103 -10.260 1.00 0.00 H new ATOM 0 HA ALA A 39 10.087 -1.459 -8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.038 -0.210 -6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.551 0.091 -7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.259 1.315 -7.625 1.00 0.00 H new ATOM 586 N THR A 40 7.688 -0.675 -7.968 1.00 0.00 N ATOM 587 CA THR A 40 6.275 -0.558 -7.912 1.00 0.00 C ATOM 588 C THR A 40 5.850 0.200 -6.645 1.00 0.00 C ATOM 589 O THR A 40 6.657 0.443 -5.753 1.00 0.00 O ATOM 590 CB THR A 40 5.653 -1.964 -7.955 1.00 0.00 C ATOM 591 OG1 THR A 40 6.502 -2.884 -7.235 1.00 0.00 O ATOM 592 CG2 THR A 40 5.485 -2.446 -9.384 1.00 0.00 C ATOM 0 H THR A 40 8.093 -1.191 -7.187 1.00 0.00 H new ATOM 0 HA THR A 40 5.918 0.012 -8.770 1.00 0.00 H new ATOM 0 HB THR A 40 4.668 -1.919 -7.491 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.107 -3.781 -7.259 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.043 -3.442 -9.382 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.832 -1.761 -9.925 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.459 -2.482 -9.873 1.00 0.00 H new ATOM 600 N LEU A 41 4.626 0.634 -6.608 1.00 0.00 N ATOM 601 CA LEU A 41 4.076 1.289 -5.438 1.00 0.00 C ATOM 602 C LEU A 41 3.732 0.176 -4.433 1.00 0.00 C ATOM 603 O LEU A 41 3.101 -0.796 -4.820 1.00 0.00 O ATOM 604 CB LEU A 41 2.829 2.095 -5.867 1.00 0.00 C ATOM 605 CG LEU A 41 2.164 3.012 -4.838 1.00 0.00 C ATOM 606 CD1 LEU A 41 3.110 4.090 -4.362 1.00 0.00 C ATOM 607 CD2 LEU A 41 0.916 3.643 -5.423 1.00 0.00 C ATOM 0 H LEU A 41 3.971 0.548 -7.385 1.00 0.00 H new ATOM 0 HA LEU A 41 4.773 1.989 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.108 2.707 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.078 1.385 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 41 1.890 2.399 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.604 4.722 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.983 3.630 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.426 4.697 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.454 4.292 -4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.183 4.230 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.213 2.861 -5.709 1.00 0.00 H new ATOM 619 N MET A 42 4.162 0.352 -3.170 1.00 0.00 N ATOM 620 CA MET A 42 4.102 -0.659 -2.055 1.00 0.00 C ATOM 621 C MET A 42 2.971 -1.701 -2.156 1.00 0.00 C ATOM 622 O MET A 42 1.789 -1.362 -2.166 1.00 0.00 O ATOM 623 CB MET A 42 4.030 0.060 -0.701 1.00 0.00 C ATOM 624 CG MET A 42 3.867 -0.850 0.527 1.00 0.00 C ATOM 625 SD MET A 42 5.221 -1.987 0.758 1.00 0.00 S ATOM 626 CE MET A 42 4.583 -2.977 2.104 1.00 0.00 C ATOM 0 H MET A 42 4.581 1.232 -2.868 1.00 0.00 H new ATOM 0 HA MET A 42 5.023 -1.235 -2.150 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.937 0.651 -0.575 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.195 0.760 -0.726 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.768 -0.230 1.418 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.941 -1.416 0.429 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.397 -3.541 2.559 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.131 -2.326 2.852 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.832 -3.668 1.723 1.00 0.00 H new ATOM 636 N LEU A 43 3.372 -2.966 -2.176 1.00 0.00 N ATOM 637 CA LEU A 43 2.473 -4.105 -2.261 1.00 0.00 C ATOM 638 C LEU A 43 2.615 -4.915 -0.976 1.00 0.00 C ATOM 639 O LEU A 43 3.568 -5.692 -0.826 1.00 0.00 O ATOM 640 CB LEU A 43 2.794 -5.045 -3.462 1.00 0.00 C ATOM 641 CG LEU A 43 2.739 -4.488 -4.904 1.00 0.00 C ATOM 642 CD1 LEU A 43 1.566 -3.593 -5.116 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.019 -3.821 -5.333 1.00 0.00 C ATOM 0 H LEU A 43 4.356 -3.232 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 43 1.464 -3.719 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.796 -5.445 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.103 -5.887 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 43 2.613 -5.359 -5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.569 -3.226 -6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.646 -4.149 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.623 -2.749 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.913 -3.453 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.235 -2.986 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.836 -4.541 -5.290 1.00 0.00 H new ATOM 655 N ILE A 44 1.708 -4.704 -0.058 1.00 0.00 N ATOM 656 CA ILE A 44 1.730 -5.349 1.255 1.00 0.00 C ATOM 657 C ILE A 44 1.493 -6.858 1.115 1.00 0.00 C ATOM 658 O ILE A 44 0.534 -7.291 0.481 1.00 0.00 O ATOM 659 CB ILE A 44 0.656 -4.725 2.184 1.00 0.00 C ATOM 660 CG1 ILE A 44 0.821 -3.194 2.211 1.00 0.00 C ATOM 661 CG2 ILE A 44 0.784 -5.285 3.601 1.00 0.00 C ATOM 662 CD1 ILE A 44 -0.297 -2.469 2.922 1.00 0.00 C ATOM 0 H ILE A 44 0.917 -4.073 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 44 2.712 -5.189 1.699 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.332 -4.977 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.766 -2.949 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.884 -2.827 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.023 -4.837 4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.648 -6.366 3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.773 -5.052 3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.108 -1.396 2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.243 -2.682 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.348 -2.805 3.958 1.00 0.00 H new ATOM 674 N GLN A 45 2.387 -7.629 1.690 1.00 0.00 N ATOM 675 CA GLN A 45 2.351 -9.081 1.590 1.00 0.00 C ATOM 676 C GLN A 45 1.676 -9.722 2.819 1.00 0.00 C ATOM 677 O GLN A 45 0.957 -10.722 2.709 1.00 0.00 O ATOM 678 CB GLN A 45 3.792 -9.570 1.481 1.00 0.00 C ATOM 679 CG GLN A 45 3.968 -11.063 1.311 1.00 0.00 C ATOM 680 CD GLN A 45 5.430 -11.447 1.303 1.00 0.00 C ATOM 681 OE1 GLN A 45 6.264 -10.812 1.959 1.00 0.00 O ATOM 682 NE2 GLN A 45 5.759 -12.455 0.557 1.00 0.00 N ATOM 0 H GLN A 45 3.165 -7.271 2.244 1.00 0.00 H new ATOM 0 HA GLN A 45 1.766 -9.368 0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.263 -9.069 0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.330 -9.259 2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.457 -11.586 2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.501 -11.383 0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.043 -12.955 0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.734 -12.748 0.497 1.00 0.00 H new ATOM 691 N ASP A 46 1.891 -9.126 3.964 1.00 0.00 N ATOM 692 CA ASP A 46 1.470 -9.693 5.239 1.00 0.00 C ATOM 693 C ASP A 46 1.280 -8.558 6.244 1.00 0.00 C ATOM 694 O ASP A 46 1.536 -7.412 5.915 1.00 0.00 O ATOM 695 CB ASP A 46 2.549 -10.710 5.707 1.00 0.00 C ATOM 696 CG ASP A 46 2.358 -11.215 7.113 1.00 0.00 C ATOM 697 OD1 ASP A 46 1.349 -11.855 7.401 1.00 0.00 O ATOM 698 OD2 ASP A 46 3.178 -10.892 7.964 1.00 0.00 O ATOM 0 H ASP A 46 2.366 -8.227 4.048 1.00 0.00 H new ATOM 0 HA ASP A 46 0.521 -10.221 5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.550 -11.560 5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.530 -10.241 5.632 1.00 0.00 H new ATOM 703 N GLN A 47 0.822 -8.851 7.436 1.00 0.00 N ATOM 704 CA GLN A 47 0.609 -7.831 8.424 1.00 0.00 C ATOM 705 C GLN A 47 1.915 -7.450 9.130 1.00 0.00 C ATOM 706 O GLN A 47 2.089 -6.298 9.537 1.00 0.00 O ATOM 707 CB GLN A 47 -0.461 -8.257 9.397 1.00 0.00 C ATOM 708 CG GLN A 47 -0.882 -7.173 10.369 1.00 0.00 C ATOM 709 CD GLN A 47 -2.103 -7.551 11.170 1.00 0.00 C ATOM 710 OE1 GLN A 47 -2.274 -7.111 12.306 1.00 0.00 O ATOM 711 NE2 GLN A 47 -2.942 -8.373 10.598 1.00 0.00 N ATOM 0 H GLN A 47 0.589 -9.795 7.744 1.00 0.00 H new ATOM 0 HA GLN A 47 0.258 -6.931 7.919 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.336 -8.587 8.837 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.101 -9.117 9.962 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.057 -6.961 11.050 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.084 -6.255 9.817 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.760 -8.713 9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.779 -8.675 11.096 1.00 0.00 H new ATOM 720 N GLU A 48 2.858 -8.397 9.232 1.00 0.00 N ATOM 721 CA GLU A 48 4.168 -8.124 9.822 1.00 0.00 C ATOM 722 C GLU A 48 4.925 -7.163 8.940 1.00 0.00 C ATOM 723 O GLU A 48 5.779 -6.418 9.404 1.00 0.00 O ATOM 724 CB GLU A 48 4.955 -9.393 10.054 1.00 0.00 C ATOM 725 CG GLU A 48 4.299 -10.320 11.045 1.00 0.00 C ATOM 726 CD GLU A 48 5.040 -11.604 11.196 1.00 0.00 C ATOM 727 OE1 GLU A 48 6.002 -11.659 11.983 1.00 0.00 O ATOM 728 OE2 GLU A 48 4.658 -12.595 10.550 1.00 0.00 O ATOM 0 H GLU A 48 2.734 -9.358 8.912 1.00 0.00 H new ATOM 0 HA GLU A 48 4.019 -7.668 10.801 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.081 -9.915 9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.952 -9.135 10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.234 -9.825 12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.278 -10.528 10.724 1.00 0.00 H new ATOM 735 N GLU A 49 4.588 -7.196 7.659 1.00 0.00 N ATOM 736 CA GLU A 49 5.056 -6.220 6.696 1.00 0.00 C ATOM 737 C GLU A 49 4.754 -4.842 7.209 1.00 0.00 C ATOM 738 O GLU A 49 5.646 -4.048 7.421 1.00 0.00 O ATOM 739 CB GLU A 49 4.290 -6.419 5.415 1.00 0.00 C ATOM 740 CG GLU A 49 4.839 -7.468 4.520 1.00 0.00 C ATOM 741 CD GLU A 49 5.842 -6.873 3.619 1.00 0.00 C ATOM 742 OE1 GLU A 49 5.412 -6.279 2.616 1.00 0.00 O ATOM 743 OE2 GLU A 49 7.049 -6.963 3.894 1.00 0.00 O ATOM 0 H GLU A 49 3.977 -7.908 7.259 1.00 0.00 H new ATOM 0 HA GLU A 49 6.128 -6.336 6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.259 -6.673 5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.265 -5.474 4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.293 -8.264 5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.036 -7.921 3.938 1.00 0.00 H new ATOM 750 N LEU A 50 3.494 -4.612 7.515 1.00 0.00 N ATOM 751 CA LEU A 50 3.059 -3.331 7.996 1.00 0.00 C ATOM 752 C LEU A 50 3.621 -3.003 9.344 1.00 0.00 C ATOM 753 O LEU A 50 3.833 -1.861 9.649 1.00 0.00 O ATOM 754 CB LEU A 50 1.562 -3.193 7.973 1.00 0.00 C ATOM 755 CG LEU A 50 0.962 -3.166 6.590 1.00 0.00 C ATOM 756 CD1 LEU A 50 -0.556 -3.102 6.672 1.00 0.00 C ATOM 757 CD2 LEU A 50 1.548 -1.979 5.812 1.00 0.00 C ATOM 0 H LEU A 50 2.752 -5.307 7.436 1.00 0.00 H new ATOM 0 HA LEU A 50 3.461 -2.595 7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.124 -4.021 8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.285 -2.277 8.494 1.00 0.00 H new ATOM 0 HG LEU A 50 1.213 -4.083 6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.974 -3.083 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.929 -3.977 7.204 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.854 -2.199 7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.119 -1.953 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.312 -1.051 6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.630 -2.090 5.740 1.00 0.00 H new ATOM 769 N ARG A 51 3.885 -4.010 10.132 1.00 0.00 N ATOM 770 CA ARG A 51 4.521 -3.813 11.420 1.00 0.00 C ATOM 771 C ARG A 51 5.930 -3.250 11.201 1.00 0.00 C ATOM 772 O ARG A 51 6.362 -2.323 11.904 1.00 0.00 O ATOM 773 CB ARG A 51 4.559 -5.127 12.200 1.00 0.00 C ATOM 774 CG ARG A 51 3.188 -5.719 12.482 1.00 0.00 C ATOM 775 CD ARG A 51 2.323 -4.800 13.322 1.00 0.00 C ATOM 776 NE ARG A 51 0.964 -5.328 13.469 1.00 0.00 N ATOM 777 CZ ARG A 51 -0.025 -4.717 14.135 1.00 0.00 C ATOM 778 NH1 ARG A 51 0.232 -3.625 14.864 1.00 0.00 N ATOM 779 NH2 ARG A 51 -1.259 -5.215 14.102 1.00 0.00 N ATOM 0 H ARG A 51 3.671 -4.982 9.909 1.00 0.00 H new ATOM 0 HA ARG A 51 3.947 -3.100 12.011 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.149 -5.853 11.640 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.073 -4.961 13.147 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.684 -5.926 11.538 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.306 -6.673 12.996 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.774 -4.673 14.306 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.283 -3.813 12.860 1.00 0.00 H new ATOM 0 HE ARG A 51 0.756 -6.226 13.033 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.182 -3.257 14.913 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.522 -3.161 15.370 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.453 -6.063 13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.011 -4.749 14.610 1.00 0.00 H new ATOM 793 N PHE A 52 6.599 -3.765 10.175 1.00 0.00 N ATOM 794 CA PHE A 52 7.911 -3.291 9.780 1.00 0.00 C ATOM 795 C PHE A 52 7.775 -1.871 9.225 1.00 0.00 C ATOM 796 O PHE A 52 8.657 -1.022 9.431 1.00 0.00 O ATOM 797 CB PHE A 52 8.530 -4.249 8.733 1.00 0.00 C ATOM 798 CG PHE A 52 9.903 -3.862 8.231 1.00 0.00 C ATOM 799 CD1 PHE A 52 11.041 -4.231 8.927 1.00 0.00 C ATOM 800 CD2 PHE A 52 10.049 -3.138 7.059 1.00 0.00 C ATOM 801 CE1 PHE A 52 12.297 -3.882 8.467 1.00 0.00 C ATOM 802 CE2 PHE A 52 11.299 -2.789 6.595 1.00 0.00 C ATOM 803 CZ PHE A 52 12.426 -3.160 7.300 1.00 0.00 C ATOM 0 H PHE A 52 6.242 -4.525 9.596 1.00 0.00 H new ATOM 0 HA PHE A 52 8.579 -3.271 10.641 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.589 -5.247 9.168 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.855 -4.313 7.880 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.947 -4.799 9.841 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.172 -2.843 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.176 -4.175 9.021 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.397 -2.225 5.679 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.406 -2.885 6.938 1.00 0.00 H new ATOM 813 N LEU A 53 6.647 -1.606 8.542 1.00 0.00 N ATOM 814 CA LEU A 53 6.352 -0.276 8.041 1.00 0.00 C ATOM 815 C LEU A 53 6.245 0.684 9.188 1.00 0.00 C ATOM 816 O LEU A 53 6.962 1.625 9.236 1.00 0.00 O ATOM 817 CB LEU A 53 5.060 -0.203 7.160 1.00 0.00 C ATOM 818 CG LEU A 53 5.188 -0.477 5.637 1.00 0.00 C ATOM 819 CD1 LEU A 53 6.101 0.517 4.985 1.00 0.00 C ATOM 820 CD2 LEU A 53 5.657 -1.873 5.323 1.00 0.00 C ATOM 0 H LEU A 53 5.933 -2.303 8.331 1.00 0.00 H new ATOM 0 HA LEU A 53 7.180 -0.002 7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.341 -0.914 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.630 0.791 7.283 1.00 0.00 H new ATOM 0 HG LEU A 53 4.182 -0.372 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.172 0.301 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.704 1.522 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.091 0.451 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.725 -1.999 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.637 -2.037 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.948 -2.595 5.729 1.00 0.00 H new ATOM 832 N LEU A 54 5.401 0.376 10.142 1.00 0.00 N ATOM 833 CA LEU A 54 5.139 1.239 11.302 1.00 0.00 C ATOM 834 C LEU A 54 6.423 1.669 12.017 1.00 0.00 C ATOM 835 O LEU A 54 6.569 2.846 12.404 1.00 0.00 O ATOM 836 CB LEU A 54 4.164 0.558 12.266 1.00 0.00 C ATOM 837 CG LEU A 54 2.848 0.082 11.642 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.900 -0.469 12.684 1.00 0.00 C ATOM 839 CD2 LEU A 54 2.193 1.175 10.812 1.00 0.00 C ATOM 0 H LEU A 54 4.862 -0.490 10.149 1.00 0.00 H new ATOM 0 HA LEU A 54 4.677 2.153 10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.664 -0.299 12.716 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.933 1.253 13.074 1.00 0.00 H new ATOM 0 HG LEU A 54 3.092 -0.736 10.965 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.979 -0.796 12.201 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.366 -1.316 13.188 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.671 0.307 13.414 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.263 0.800 10.386 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.981 2.036 11.446 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.866 1.474 10.008 1.00 0.00 H new ATOM 851 N ASP A 55 7.355 0.740 12.155 1.00 0.00 N ATOM 852 CA ASP A 55 8.660 1.034 12.750 1.00 0.00 C ATOM 853 C ASP A 55 9.480 1.956 11.878 1.00 0.00 C ATOM 854 O ASP A 55 10.060 2.929 12.361 1.00 0.00 O ATOM 855 CB ASP A 55 9.462 -0.241 13.007 1.00 0.00 C ATOM 856 CG ASP A 55 9.198 -0.862 14.359 1.00 0.00 C ATOM 857 OD1 ASP A 55 8.062 -1.331 14.637 1.00 0.00 O ATOM 858 OD2 ASP A 55 10.137 -0.911 15.181 1.00 0.00 O ATOM 0 H ASP A 55 7.236 -0.230 11.863 1.00 0.00 H new ATOM 0 HA ASP A 55 8.455 1.529 13.699 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.228 -0.969 12.231 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.525 -0.015 12.922 1.00 0.00 H new ATOM 863 N SER A 56 9.489 1.688 10.591 1.00 0.00 N ATOM 864 CA SER A 56 10.328 2.434 9.674 1.00 0.00 C ATOM 865 C SER A 56 9.706 3.788 9.310 1.00 0.00 C ATOM 866 O SER A 56 10.413 4.767 9.054 1.00 0.00 O ATOM 867 CB SER A 56 10.650 1.591 8.436 1.00 0.00 C ATOM 868 OG SER A 56 9.475 1.031 7.869 1.00 0.00 O ATOM 0 H SER A 56 8.925 0.959 10.154 1.00 0.00 H new ATOM 0 HA SER A 56 11.270 2.656 10.176 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.154 2.210 7.694 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.341 0.793 8.707 1.00 0.00 H new ATOM 0 HG SER A 56 9.231 0.218 8.359 1.00 0.00 H new ATOM 874 N ILE A 57 8.384 3.825 9.303 1.00 0.00 N ATOM 875 CA ILE A 57 7.610 5.023 9.063 1.00 0.00 C ATOM 876 C ILE A 57 7.949 6.079 10.107 1.00 0.00 C ATOM 877 O ILE A 57 8.117 7.260 9.767 1.00 0.00 O ATOM 878 CB ILE A 57 6.067 4.722 9.097 1.00 0.00 C ATOM 879 CG1 ILE A 57 5.603 3.878 7.890 1.00 0.00 C ATOM 880 CG2 ILE A 57 5.240 5.975 9.223 1.00 0.00 C ATOM 881 CD1 ILE A 57 5.860 4.497 6.539 1.00 0.00 C ATOM 0 H ILE A 57 7.808 2.999 9.469 1.00 0.00 H new ATOM 0 HA ILE A 57 7.864 5.394 8.070 1.00 0.00 H new ATOM 0 HB ILE A 57 5.902 4.127 9.995 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.103 2.910 7.930 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.534 3.689 7.988 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.182 5.712 9.242 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.502 6.493 10.146 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.437 6.628 8.372 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.499 3.828 5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.337 5.451 6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.930 4.660 6.411 1.00 0.00 H new ATOM 893 N LYS A 58 8.071 5.633 11.369 1.00 0.00 N ATOM 894 CA LYS A 58 8.376 6.499 12.518 1.00 0.00 C ATOM 895 C LYS A 58 7.223 7.455 12.841 1.00 0.00 C ATOM 896 O LYS A 58 6.492 7.230 13.807 1.00 0.00 O ATOM 897 CB LYS A 58 9.716 7.271 12.321 1.00 0.00 C ATOM 898 CG LYS A 58 10.008 8.365 13.356 1.00 0.00 C ATOM 899 CD LYS A 58 10.181 7.829 14.769 1.00 0.00 C ATOM 900 CE LYS A 58 10.386 8.976 15.748 1.00 0.00 C ATOM 901 NZ LYS A 58 10.757 8.509 17.096 1.00 0.00 N ATOM 0 H LYS A 58 7.959 4.651 11.621 1.00 0.00 H new ATOM 0 HA LYS A 58 8.500 5.843 13.380 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.535 6.552 12.338 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.711 7.725 11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.913 8.899 13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.194 9.090 13.347 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.303 7.250 15.056 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.035 7.153 14.807 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.165 9.638 15.369 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.470 9.564 15.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.885 9.328 17.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.003 7.899 17.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.645 7.970 17.045 1.00 0.00 H new ATOM 915 N GLU A 59 7.044 8.455 11.991 1.00 0.00 N ATOM 916 CA GLU A 59 6.099 9.533 12.200 1.00 0.00 C ATOM 917 C GLU A 59 4.660 9.018 12.336 1.00 0.00 C ATOM 918 O GLU A 59 3.984 9.340 13.304 1.00 0.00 O ATOM 919 CB GLU A 59 6.250 10.563 11.096 1.00 0.00 C ATOM 920 CG GLU A 59 7.646 11.184 11.033 1.00 0.00 C ATOM 921 CD GLU A 59 8.004 11.963 12.286 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.505 13.106 12.463 1.00 0.00 O ATOM 923 OE2 GLU A 59 8.785 11.466 13.118 1.00 0.00 O ATOM 0 H GLU A 59 7.565 8.538 11.118 1.00 0.00 H new ATOM 0 HA GLU A 59 6.324 10.019 13.149 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.025 10.094 10.138 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.515 11.354 11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.382 10.395 10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.704 11.847 10.170 1.00 0.00 H new ATOM 930 N LYS A 60 4.192 8.228 11.347 1.00 0.00 N ATOM 931 CA LYS A 60 2.928 7.500 11.419 1.00 0.00 C ATOM 932 C LYS A 60 1.643 8.367 11.310 1.00 0.00 C ATOM 933 O LYS A 60 0.638 7.902 10.783 1.00 0.00 O ATOM 934 CB LYS A 60 2.934 6.577 12.647 1.00 0.00 C ATOM 935 CG LYS A 60 1.704 5.739 12.821 1.00 0.00 C ATOM 936 CD LYS A 60 1.821 4.814 14.022 1.00 0.00 C ATOM 937 CE LYS A 60 2.108 5.587 15.304 1.00 0.00 C ATOM 938 NZ LYS A 60 2.095 4.717 16.485 1.00 0.00 N ATOM 0 H LYS A 60 4.694 8.083 10.471 1.00 0.00 H new ATOM 0 HA LYS A 60 2.871 6.894 10.515 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.798 5.916 12.581 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.068 7.188 13.540 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.836 6.387 12.944 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.536 5.148 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.896 4.249 14.137 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.617 4.090 13.848 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.080 6.074 15.224 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.365 6.375 15.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.295 5.282 17.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.160 4.271 16.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.821 3.980 16.381 1.00 0.00 H new ATOM 952 N TYR A 61 1.695 9.623 11.716 1.00 0.00 N ATOM 953 CA TYR A 61 0.510 10.512 11.696 1.00 0.00 C ATOM 954 C TYR A 61 0.379 11.177 10.318 1.00 0.00 C ATOM 955 O TYR A 61 -0.168 12.276 10.168 1.00 0.00 O ATOM 956 CB TYR A 61 0.637 11.590 12.777 1.00 0.00 C ATOM 957 CG TYR A 61 1.066 11.072 14.129 1.00 0.00 C ATOM 958 CD1 TYR A 61 0.367 10.062 14.770 1.00 0.00 C ATOM 959 CD2 TYR A 61 2.188 11.589 14.755 1.00 0.00 C ATOM 960 CE1 TYR A 61 0.775 9.587 16.001 1.00 0.00 C ATOM 961 CE2 TYR A 61 2.603 11.121 15.982 1.00 0.00 C ATOM 962 CZ TYR A 61 1.897 10.123 16.602 1.00 0.00 C ATOM 963 OH TYR A 61 2.314 9.651 17.835 1.00 0.00 O ATOM 0 H TYR A 61 2.543 10.067 12.068 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.379 9.914 11.895 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.356 12.338 12.444 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.323 12.095 12.883 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.509 9.640 14.300 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.749 12.375 14.271 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.220 8.801 16.491 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.480 11.538 16.453 1.00 0.00 H new ATOM 0 HH TYR A 61 3.119 10.134 18.115 1.00 0.00 H new ATOM 973 N ASN A 62 0.858 10.475 9.335 1.00 0.00 N ATOM 974 CA ASN A 62 0.861 10.897 7.951 1.00 0.00 C ATOM 975 C ASN A 62 -0.073 9.986 7.185 1.00 0.00 C ATOM 976 O ASN A 62 -0.925 9.318 7.774 1.00 0.00 O ATOM 977 CB ASN A 62 2.273 10.752 7.350 1.00 0.00 C ATOM 978 CG ASN A 62 3.310 11.707 7.890 1.00 0.00 C ATOM 979 OD1 ASN A 62 3.013 12.842 8.247 1.00 0.00 O ATOM 980 ND2 ASN A 62 4.541 11.243 7.977 1.00 0.00 N ATOM 0 H ASN A 62 1.276 9.555 9.472 1.00 0.00 H new ATOM 0 HA ASN A 62 0.548 11.939 7.887 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.619 9.733 7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.205 10.889 6.271 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.283 11.834 8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.751 10.293 7.670 1.00 0.00 H new ATOM 987 N SER A 63 0.066 9.966 5.883 1.00 0.00 N ATOM 988 CA SER A 63 -0.668 9.077 5.040 1.00 0.00 C ATOM 989 C SER A 63 0.203 8.748 3.844 1.00 0.00 C ATOM 990 O SER A 63 0.746 9.651 3.208 1.00 0.00 O ATOM 991 CB SER A 63 -2.029 9.663 4.637 1.00 0.00 C ATOM 992 OG SER A 63 -2.812 9.957 5.792 1.00 0.00 O ATOM 0 H SER A 63 0.705 10.580 5.378 1.00 0.00 H new ATOM 0 HA SER A 63 -0.904 8.159 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.881 10.570 4.051 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.561 8.956 4.001 1.00 0.00 H new ATOM 0 HG SER A 63 -3.675 10.331 5.516 1.00 0.00 H new ATOM 998 N PHE A 64 0.408 7.468 3.600 1.00 0.00 N ATOM 999 CA PHE A 64 1.291 7.019 2.531 1.00 0.00 C ATOM 1000 C PHE A 64 0.543 6.086 1.622 1.00 0.00 C ATOM 1001 O PHE A 64 0.018 5.069 2.083 1.00 0.00 O ATOM 1002 CB PHE A 64 2.488 6.254 3.100 1.00 0.00 C ATOM 1003 CG PHE A 64 3.097 6.875 4.305 1.00 0.00 C ATOM 1004 CD1 PHE A 64 4.008 7.893 4.204 1.00 0.00 C ATOM 1005 CD2 PHE A 64 2.726 6.439 5.551 1.00 0.00 C ATOM 1006 CE1 PHE A 64 4.533 8.466 5.332 1.00 0.00 C ATOM 1007 CE2 PHE A 64 3.236 6.984 6.674 1.00 0.00 C ATOM 1008 CZ PHE A 64 4.149 8.008 6.578 1.00 0.00 C ATOM 0 H PHE A 64 -0.027 6.713 4.130 1.00 0.00 H new ATOM 0 HA PHE A 64 1.639 7.899 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.171 5.241 3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.250 6.168 2.326 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.314 8.246 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.006 5.638 5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.245 9.274 5.248 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.929 6.619 7.643 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.563 8.452 7.471 1.00 0.00 H new ATOM 1018 N TRP A 65 0.479 6.431 0.369 1.00 0.00 N ATOM 1019 CA TRP A 65 -0.180 5.629 -0.633 1.00 0.00 C ATOM 1020 C TRP A 65 0.525 4.302 -0.820 1.00 0.00 C ATOM 1021 O TRP A 65 1.770 4.246 -0.879 1.00 0.00 O ATOM 1022 CB TRP A 65 -0.174 6.336 -1.989 1.00 0.00 C ATOM 1023 CG TRP A 65 -0.910 7.636 -2.060 1.00 0.00 C ATOM 1024 CD1 TRP A 65 -0.372 8.869 -2.300 1.00 0.00 C ATOM 1025 CD2 TRP A 65 -2.317 7.832 -1.910 1.00 0.00 C ATOM 1026 NE1 TRP A 65 -1.362 9.816 -2.323 1.00 0.00 N ATOM 1027 CE2 TRP A 65 -2.565 9.203 -2.084 1.00 0.00 C ATOM 1028 CE3 TRP A 65 -3.396 6.978 -1.650 1.00 0.00 C ATOM 1029 CZ2 TRP A 65 -3.836 9.736 -2.011 1.00 0.00 C ATOM 1030 CZ3 TRP A 65 -4.660 7.515 -1.575 1.00 0.00 C ATOM 1031 CH2 TRP A 65 -4.869 8.883 -1.758 1.00 0.00 C ATOM 0 H TRP A 65 0.888 7.291 0.004 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.201 5.473 -0.285 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.862 6.513 -2.278 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.601 5.660 -2.730 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.679 9.068 -2.450 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -1.226 10.813 -2.490 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.239 5.919 -1.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -4.007 10.793 -2.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.502 6.870 -1.372 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.873 9.275 -1.698 1.00 0.00 H new ATOM 1042 N ILE A 66 -0.245 3.246 -0.888 1.00 0.00 N ATOM 1043 CA ILE A 66 0.289 1.969 -1.266 1.00 0.00 C ATOM 1044 C ILE A 66 -0.444 1.528 -2.531 1.00 0.00 C ATOM 1045 O ILE A 66 -1.441 2.162 -2.900 1.00 0.00 O ATOM 1046 CB ILE A 66 0.278 0.855 -0.140 1.00 0.00 C ATOM 1047 CG1 ILE A 66 -1.148 0.437 0.322 1.00 0.00 C ATOM 1048 CG2 ILE A 66 1.112 1.316 1.070 1.00 0.00 C ATOM 1049 CD1 ILE A 66 -1.794 1.346 1.351 1.00 0.00 C ATOM 0 H ILE A 66 -1.245 3.249 -0.686 1.00 0.00 H new ATOM 0 HA ILE A 66 1.356 2.096 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 66 0.723 -0.033 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.796 0.390 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.097 -0.571 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.097 0.543 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.140 1.496 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.690 2.236 1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.783 0.965 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.177 1.376 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.887 2.352 0.941 1.00 0.00 H new ATOM 1061 N GLY A 67 -0.005 0.470 -3.180 1.00 0.00 N ATOM 1062 CA GLY A 67 -0.558 0.093 -4.489 1.00 0.00 C ATOM 1063 C GLY A 67 -1.931 -0.572 -4.449 1.00 0.00 C ATOM 1064 O GLY A 67 -2.207 -1.459 -5.251 1.00 0.00 O ATOM 0 H GLY A 67 0.729 -0.149 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.623 0.987 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.141 -0.584 -4.979 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.779 -0.119 -3.557 1.00 0.00 N ATOM 1069 CA LEU A 68 -4.113 -0.646 -3.390 1.00 0.00 C ATOM 1070 C LEU A 68 -5.118 0.170 -4.127 1.00 0.00 C ATOM 1071 O LEU A 68 -5.286 1.360 -3.842 1.00 0.00 O ATOM 1072 CB LEU A 68 -4.514 -0.683 -1.917 1.00 0.00 C ATOM 1073 CG LEU A 68 -4.150 -1.930 -1.147 1.00 0.00 C ATOM 1074 CD1 LEU A 68 -4.450 -1.734 0.325 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -4.943 -3.112 -1.680 1.00 0.00 C ATOM 0 H LEU A 68 -2.557 0.641 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.098 -1.658 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.056 0.171 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.594 -0.547 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.085 -2.127 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.185 -2.638 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.869 -0.894 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.513 -1.529 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.677 -4.010 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.009 -2.916 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.712 -3.259 -2.735 1.00 0.00 H new ATOM 1087 N ARG A 69 -5.788 -0.449 -5.051 1.00 0.00 N ATOM 1088 CA ARG A 69 -6.854 0.192 -5.747 1.00 0.00 C ATOM 1089 C ARG A 69 -8.045 -0.743 -5.781 1.00 0.00 C ATOM 1090 O ARG A 69 -7.928 -1.924 -6.195 1.00 0.00 O ATOM 1091 CB ARG A 69 -6.432 0.665 -7.162 1.00 0.00 C ATOM 1092 CG ARG A 69 -6.017 -0.422 -8.148 1.00 0.00 C ATOM 1093 CD ARG A 69 -5.511 0.187 -9.457 1.00 0.00 C ATOM 1094 NE ARG A 69 -6.466 1.146 -10.043 1.00 0.00 N ATOM 1095 CZ ARG A 69 -6.212 1.978 -11.072 1.00 0.00 C ATOM 1096 NH1 ARG A 69 -5.050 1.903 -11.753 1.00 0.00 N ATOM 1097 NH2 ARG A 69 -7.133 2.863 -11.434 1.00 0.00 N ATOM 0 H ARG A 69 -5.609 -1.410 -5.341 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.133 1.101 -5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.262 1.221 -7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.602 1.363 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.236 -1.040 -7.705 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.865 -1.076 -8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.561 0.690 -9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.317 -0.611 -10.174 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.400 1.183 -9.634 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.349 1.210 -11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.872 2.540 -12.530 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.021 2.908 -10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.952 3.498 -12.211 1.00 0.00 H new ATOM 1111 N TYR A 70 -9.161 -0.271 -5.284 1.00 0.00 N ATOM 1112 CA TYR A 70 -10.355 -1.067 -5.287 1.00 0.00 C ATOM 1113 C TYR A 70 -10.868 -1.079 -6.700 1.00 0.00 C ATOM 1114 O TYR A 70 -11.287 -0.051 -7.227 1.00 0.00 O ATOM 1115 CB TYR A 70 -11.384 -0.483 -4.309 1.00 0.00 C ATOM 1116 CG TYR A 70 -12.662 -1.282 -4.164 1.00 0.00 C ATOM 1117 CD1 TYR A 70 -12.643 -2.669 -4.105 1.00 0.00 C ATOM 1118 CD2 TYR A 70 -13.884 -0.642 -4.083 1.00 0.00 C ATOM 1119 CE1 TYR A 70 -13.806 -3.389 -3.972 1.00 0.00 C ATOM 1120 CE2 TYR A 70 -15.057 -1.346 -3.945 1.00 0.00 C ATOM 1121 CZ TYR A 70 -15.012 -2.728 -3.889 1.00 0.00 C ATOM 1122 OH TYR A 70 -16.168 -3.452 -3.746 1.00 0.00 O ATOM 0 H TYR A 70 -9.264 0.657 -4.874 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.158 -2.087 -4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.918 -0.392 -3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.640 0.525 -4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.699 -3.190 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.919 0.436 -4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.775 -4.468 -3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.002 -0.827 -3.881 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.882 -2.867 -3.418 1.00 0.00 H new ATOM 1132 N THR A 71 -10.825 -2.219 -7.303 1.00 0.00 N ATOM 1133 CA THR A 71 -11.111 -2.337 -8.685 1.00 0.00 C ATOM 1134 C THR A 71 -12.472 -2.953 -8.946 1.00 0.00 C ATOM 1135 O THR A 71 -12.773 -4.077 -8.514 1.00 0.00 O ATOM 1136 CB THR A 71 -9.984 -3.124 -9.365 1.00 0.00 C ATOM 1137 OG1 THR A 71 -9.150 -3.715 -8.336 1.00 0.00 O ATOM 1138 CG2 THR A 71 -9.136 -2.199 -10.228 1.00 0.00 C ATOM 0 H THR A 71 -10.588 -3.099 -6.844 1.00 0.00 H new ATOM 0 HA THR A 71 -11.158 -1.337 -9.116 1.00 0.00 H new ATOM 0 HB THR A 71 -10.415 -3.898 -10.001 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.430 -3.093 -8.101 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.341 -2.773 -10.704 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.762 -1.742 -10.994 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.698 -1.420 -9.604 1.00 0.00 H new ATOM 1146 N LEU A 72 -13.311 -2.193 -9.598 1.00 0.00 N ATOM 1147 CA LEU A 72 -14.616 -2.643 -9.955 1.00 0.00 C ATOM 1148 C LEU A 72 -14.763 -2.609 -11.473 1.00 0.00 C ATOM 1149 O LEU A 72 -14.111 -1.797 -12.139 1.00 0.00 O ATOM 1150 CB LEU A 72 -15.696 -1.786 -9.260 1.00 0.00 C ATOM 1151 CG LEU A 72 -15.686 -1.819 -7.721 1.00 0.00 C ATOM 1152 CD1 LEU A 72 -16.814 -0.989 -7.138 1.00 0.00 C ATOM 1153 CD2 LEU A 72 -15.785 -3.239 -7.226 1.00 0.00 C ATOM 0 H LEU A 72 -13.100 -1.240 -9.895 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.753 -3.670 -9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.577 -0.752 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.675 -2.118 -9.606 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.742 -1.387 -7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.775 -1.036 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.708 0.047 -7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.770 -1.381 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.777 -3.246 -6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.712 -3.685 -7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.938 -3.814 -7.599 1.00 0.00 H new ATOM 1165 N PRO A 73 -15.545 -3.523 -12.055 1.00 0.00 N ATOM 1166 CA PRO A 73 -16.218 -4.587 -11.326 1.00 0.00 C ATOM 1167 C PRO A 73 -15.318 -5.821 -11.161 1.00 0.00 C ATOM 1168 O PRO A 73 -14.800 -6.364 -12.146 1.00 0.00 O ATOM 1169 CB PRO A 73 -17.433 -4.909 -12.204 1.00 0.00 C ATOM 1170 CG PRO A 73 -17.218 -4.192 -13.513 1.00 0.00 C ATOM 1171 CD PRO A 73 -15.838 -3.596 -13.484 1.00 0.00 C ATOM 0 HA PRO A 73 -16.487 -4.291 -10.312 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.524 -5.984 -12.361 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.355 -4.577 -11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.319 -4.884 -14.349 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.968 -3.414 -13.651 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -15.117 -4.220 -14.013 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.813 -2.612 -13.953 1.00 0.00 H new ATOM 1179 N ASP A 74 -15.169 -6.255 -9.928 1.00 0.00 N ATOM 1180 CA ASP A 74 -14.316 -7.398 -9.551 1.00 0.00 C ATOM 1181 C ASP A 74 -14.538 -7.672 -8.085 1.00 0.00 C ATOM 1182 O ASP A 74 -14.575 -8.814 -7.653 1.00 0.00 O ATOM 1183 CB ASP A 74 -12.822 -7.122 -9.808 1.00 0.00 C ATOM 1184 CG ASP A 74 -11.925 -8.294 -9.426 1.00 0.00 C ATOM 1185 OD1 ASP A 74 -11.779 -9.256 -10.226 1.00 0.00 O ATOM 1186 OD2 ASP A 74 -11.314 -8.270 -8.353 1.00 0.00 O ATOM 0 H ASP A 74 -15.640 -5.825 -9.132 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.588 -8.258 -10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.677 -6.890 -10.863 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.519 -6.240 -9.243 1.00 0.00 H new ATOM 1191 N MET A 75 -14.738 -6.579 -7.337 1.00 0.00 N ATOM 1192 CA MET A 75 -15.062 -6.594 -5.917 1.00 0.00 C ATOM 1193 C MET A 75 -13.987 -7.229 -5.059 1.00 0.00 C ATOM 1194 O MET A 75 -14.260 -7.972 -4.109 1.00 0.00 O ATOM 1195 CB MET A 75 -16.458 -7.162 -5.656 1.00 0.00 C ATOM 1196 CG MET A 75 -17.590 -6.253 -6.161 1.00 0.00 C ATOM 1197 SD MET A 75 -17.719 -6.107 -7.974 1.00 0.00 S ATOM 1198 CE MET A 75 -18.194 -7.783 -8.417 1.00 0.00 C ATOM 0 H MET A 75 -14.675 -5.636 -7.721 1.00 0.00 H new ATOM 0 HA MET A 75 -15.088 -5.552 -5.599 1.00 0.00 H new ATOM 0 HB2 MET A 75 -16.542 -8.136 -6.138 1.00 0.00 H new ATOM 0 HB3 MET A 75 -16.582 -7.324 -4.585 1.00 0.00 H new ATOM 0 HG2 MET A 75 -18.537 -6.630 -5.775 1.00 0.00 H new ATOM 0 HG3 MET A 75 -17.449 -5.257 -5.742 1.00 0.00 H new ATOM 0 HE1 MET A 75 -18.551 -7.800 -9.447 1.00 0.00 H new ATOM 0 HE2 MET A 75 -17.332 -8.443 -8.321 1.00 0.00 H new ATOM 0 HE3 MET A 75 -18.988 -8.124 -7.752 1.00 0.00 H new ATOM 1208 N ASN A 76 -12.768 -6.912 -5.399 1.00 0.00 N ATOM 1209 CA ASN A 76 -11.593 -7.286 -4.653 1.00 0.00 C ATOM 1210 C ASN A 76 -10.610 -6.160 -4.764 1.00 0.00 C ATOM 1211 O ASN A 76 -10.647 -5.386 -5.729 1.00 0.00 O ATOM 1212 CB ASN A 76 -10.942 -8.588 -5.183 1.00 0.00 C ATOM 1213 CG ASN A 76 -11.575 -9.894 -4.682 1.00 0.00 C ATOM 1214 OD1 ASN A 76 -11.922 -9.959 -3.424 1.00 0.00 O flip ATOM 1215 ND2 ASN A 76 -11.656 -10.873 -5.417 1.00 0.00 N flip ATOM 0 H ASN A 76 -12.555 -6.366 -6.234 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.882 -7.475 -3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.985 -8.578 -6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.888 -8.586 -4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.380 -10.800 -6.396 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.000 -11.760 -5.049 1.00 0.00 H new ATOM 1222 N TRP A 77 -9.775 -6.023 -3.785 1.00 0.00 N ATOM 1223 CA TRP A 77 -8.744 -5.030 -3.821 1.00 0.00 C ATOM 1224 C TRP A 77 -7.534 -5.592 -4.507 1.00 0.00 C ATOM 1225 O TRP A 77 -6.933 -6.583 -4.039 1.00 0.00 O ATOM 1226 CB TRP A 77 -8.381 -4.561 -2.425 1.00 0.00 C ATOM 1227 CG TRP A 77 -9.401 -3.687 -1.780 1.00 0.00 C ATOM 1228 CD1 TRP A 77 -10.587 -4.063 -1.225 1.00 0.00 C ATOM 1229 CD2 TRP A 77 -9.301 -2.278 -1.601 1.00 0.00 C ATOM 1230 NE1 TRP A 77 -11.235 -2.964 -0.732 1.00 0.00 N ATOM 1231 CE2 TRP A 77 -10.467 -1.856 -0.947 1.00 0.00 C ATOM 1232 CE3 TRP A 77 -8.332 -1.333 -1.936 1.00 0.00 C ATOM 1233 CZ2 TRP A 77 -10.698 -0.525 -0.626 1.00 0.00 C ATOM 1234 CZ3 TRP A 77 -8.559 -0.011 -1.616 1.00 0.00 C ATOM 1235 CH2 TRP A 77 -9.733 0.381 -0.968 1.00 0.00 C ATOM 0 H TRP A 77 -9.786 -6.593 -2.939 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.114 -4.168 -4.376 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.218 -5.434 -1.793 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.436 -4.021 -2.472 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.959 -5.076 -1.181 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -12.147 -2.971 -0.276 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.422 -1.630 -2.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.604 -0.218 -0.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -7.818 0.733 -1.870 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.882 1.424 -0.732 1.00 0.00 H new ATOM 1246 N LYS A 78 -7.186 -5.007 -5.609 1.00 0.00 N ATOM 1247 CA LYS A 78 -6.059 -5.466 -6.340 1.00 0.00 C ATOM 1248 C LYS A 78 -4.941 -4.529 -6.186 1.00 0.00 C ATOM 1249 O LYS A 78 -5.132 -3.327 -5.924 1.00 0.00 O ATOM 1250 CB LYS A 78 -6.343 -5.628 -7.815 1.00 0.00 C ATOM 1251 CG LYS A 78 -7.360 -6.669 -8.139 1.00 0.00 C ATOM 1252 CD LYS A 78 -7.452 -6.835 -9.648 1.00 0.00 C ATOM 1253 CE LYS A 78 -8.646 -7.661 -10.060 1.00 0.00 C ATOM 1254 NZ LYS A 78 -8.699 -8.964 -9.380 1.00 0.00 N ATOM 0 H LYS A 78 -7.671 -4.209 -6.019 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.807 -6.445 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.681 -4.672 -8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.413 -5.876 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.087 -7.616 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.331 -6.383 -7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.513 -5.853 -10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.541 -7.308 -10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.559 -7.106 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.618 -7.820 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.873 -9.714 -10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.794 -9.142 -8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.467 -8.959 -8.679 1.00 0.00 H new ATOM 1268 N TRP A 79 -3.791 -5.063 -6.294 1.00 0.00 N ATOM 1269 CA TRP A 79 -2.637 -4.287 -6.285 1.00 0.00 C ATOM 1270 C TRP A 79 -2.198 -4.086 -7.703 1.00 0.00 C ATOM 1271 O TRP A 79 -2.439 -4.945 -8.560 1.00 0.00 O ATOM 1272 CB TRP A 79 -1.546 -4.944 -5.506 1.00 0.00 C ATOM 1273 CG TRP A 79 -1.893 -5.271 -4.091 1.00 0.00 C ATOM 1274 CD1 TRP A 79 -2.560 -6.363 -3.656 1.00 0.00 C ATOM 1275 CD2 TRP A 79 -1.589 -4.510 -2.934 1.00 0.00 C ATOM 1276 NE1 TRP A 79 -2.653 -6.351 -2.307 1.00 0.00 N ATOM 1277 CE2 TRP A 79 -2.081 -5.221 -1.835 1.00 0.00 C ATOM 1278 CE3 TRP A 79 -0.947 -3.303 -2.714 1.00 0.00 C ATOM 1279 CZ2 TRP A 79 -1.948 -4.769 -0.544 1.00 0.00 C ATOM 1280 CZ3 TRP A 79 -0.820 -2.854 -1.431 1.00 0.00 C ATOM 1281 CH2 TRP A 79 -1.318 -3.584 -0.366 1.00 0.00 C ATOM 0 H TRP A 79 -3.630 -6.065 -6.392 1.00 0.00 H new ATOM 0 HA TRP A 79 -2.852 -3.331 -5.808 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.258 -5.863 -6.016 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -0.673 -4.291 -5.509 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.962 -7.135 -4.295 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.085 -7.078 -1.737 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.555 -2.729 -3.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.330 -5.335 0.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -0.323 -1.914 -1.244 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -1.201 -3.197 0.636 1.00 0.00 H new ATOM 1292 N ILE A 80 -1.523 -3.001 -7.930 1.00 0.00 N ATOM 1293 CA ILE A 80 -1.036 -2.591 -9.252 1.00 0.00 C ATOM 1294 C ILE A 80 -0.226 -3.677 -9.996 1.00 0.00 C ATOM 1295 O ILE A 80 -0.253 -3.750 -11.225 1.00 0.00 O ATOM 1296 CB ILE A 80 -0.147 -1.342 -9.131 1.00 0.00 C ATOM 1297 CG1 ILE A 80 1.042 -1.632 -8.195 1.00 0.00 C ATOM 1298 CG2 ILE A 80 -0.974 -0.173 -8.614 1.00 0.00 C ATOM 1299 CD1 ILE A 80 2.127 -0.603 -8.221 1.00 0.00 C ATOM 0 H ILE A 80 -1.278 -2.342 -7.191 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.936 -2.393 -9.834 1.00 0.00 H new ATOM 0 HB ILE A 80 0.248 -1.079 -10.112 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.669 -1.721 -7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.470 -2.598 -8.463 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.342 0.711 -8.529 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.790 0.030 -9.307 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.383 -0.422 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.920 -0.893 -7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.533 -0.528 -9.230 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.720 0.363 -7.921 1.00 0.00 H new ATOM 1311 N ASN A 81 0.468 -4.518 -9.260 1.00 0.00 N ATOM 1312 CA ASN A 81 1.367 -5.493 -9.861 1.00 0.00 C ATOM 1313 C ASN A 81 0.682 -6.838 -10.083 1.00 0.00 C ATOM 1314 O ASN A 81 1.310 -7.791 -10.538 1.00 0.00 O ATOM 1315 CB ASN A 81 2.620 -5.701 -9.000 1.00 0.00 C ATOM 1316 CG ASN A 81 2.338 -6.401 -7.688 1.00 0.00 C ATOM 1317 OD1 ASN A 81 1.249 -6.283 -7.122 1.00 0.00 O ATOM 1318 ND2 ASN A 81 3.294 -7.130 -7.193 1.00 0.00 N ATOM 0 H ASN A 81 0.430 -4.550 -8.241 1.00 0.00 H new ATOM 0 HA ASN A 81 1.659 -5.087 -10.829 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.348 -6.284 -9.565 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.076 -4.732 -8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.154 -7.625 -6.312 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.184 -7.207 -7.686 1.00 0.00 H new ATOM 1325 N GLY A 82 -0.586 -6.918 -9.750 1.00 0.00 N ATOM 1326 CA GLY A 82 -1.311 -8.157 -9.923 1.00 0.00 C ATOM 1327 C GLY A 82 -1.507 -8.895 -8.620 1.00 0.00 C ATOM 1328 O GLY A 82 -2.172 -9.946 -8.582 1.00 0.00 O ATOM 0 H GLY A 82 -1.132 -6.149 -9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.283 -7.947 -10.368 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.772 -8.796 -10.622 1.00 0.00 H new ATOM 1332 N SER A 83 -0.935 -8.359 -7.545 1.00 0.00 N ATOM 1333 CA SER A 83 -1.081 -8.955 -6.237 1.00 0.00 C ATOM 1334 C SER A 83 -2.537 -8.788 -5.801 1.00 0.00 C ATOM 1335 O SER A 83 -3.273 -7.945 -6.346 1.00 0.00 O ATOM 1336 CB SER A 83 -0.142 -8.271 -5.221 1.00 0.00 C ATOM 1337 OG SER A 83 0.019 -9.027 -4.026 1.00 0.00 O ATOM 0 H SER A 83 -0.367 -7.512 -7.563 1.00 0.00 H new ATOM 0 HA SER A 83 -0.815 -10.011 -6.279 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.834 -8.115 -5.682 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.538 -7.286 -4.972 1.00 0.00 H new ATOM 0 HG SER A 83 -0.086 -9.981 -4.226 1.00 0.00 H new ATOM 1343 N THR A 84 -2.967 -9.557 -4.861 1.00 0.00 N ATOM 1344 CA THR A 84 -4.317 -9.457 -4.410 1.00 0.00 C ATOM 1345 C THR A 84 -4.329 -9.352 -2.872 1.00 0.00 C ATOM 1346 O THR A 84 -3.606 -10.086 -2.190 1.00 0.00 O ATOM 1347 CB THR A 84 -5.110 -10.661 -4.928 1.00 0.00 C ATOM 1348 OG1 THR A 84 -4.698 -10.907 -6.293 1.00 0.00 O ATOM 1349 CG2 THR A 84 -6.587 -10.341 -4.945 1.00 0.00 C ATOM 0 H THR A 84 -2.405 -10.264 -4.387 1.00 0.00 H new ATOM 0 HA THR A 84 -4.796 -8.560 -4.801 1.00 0.00 H new ATOM 0 HB THR A 84 -4.928 -11.523 -4.286 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.382 -11.439 -6.750 1.00 0.00 H new ATOM 0 HG21 THR A 84 -7.142 -11.203 -5.315 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.919 -10.102 -3.935 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.767 -9.487 -5.598 1.00 0.00 H new ATOM 1357 N LEU A 85 -5.076 -8.376 -2.371 1.00 0.00 N ATOM 1358 CA LEU A 85 -5.145 -8.018 -0.936 1.00 0.00 C ATOM 1359 C LEU A 85 -5.725 -9.086 0.001 1.00 0.00 C ATOM 1360 O LEU A 85 -6.767 -9.690 -0.263 1.00 0.00 O ATOM 1361 CB LEU A 85 -5.983 -6.751 -0.757 1.00 0.00 C ATOM 1362 CG LEU A 85 -6.164 -6.271 0.692 1.00 0.00 C ATOM 1363 CD1 LEU A 85 -4.885 -5.675 1.244 1.00 0.00 C ATOM 1364 CD2 LEU A 85 -7.317 -5.307 0.813 1.00 0.00 C ATOM 0 H LEU A 85 -5.671 -7.789 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.101 -7.888 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.521 -5.948 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.969 -6.925 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.403 -7.146 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.050 -5.346 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.096 -6.427 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.588 -4.822 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.417 -4.988 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.132 -4.438 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.237 -5.798 0.494 1.00 0.00 H new ATOM 1376 N ASN A 86 -5.055 -9.247 1.135 1.00 0.00 N ATOM 1377 CA ASN A 86 -5.579 -10.021 2.233 1.00 0.00 C ATOM 1378 C ASN A 86 -6.289 -9.055 3.164 1.00 0.00 C ATOM 1379 O ASN A 86 -5.656 -8.381 3.977 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.479 -10.743 3.025 1.00 0.00 C ATOM 1381 CG ASN A 86 -5.036 -11.565 4.195 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.394 -11.703 5.235 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -6.191 -12.154 4.012 1.00 0.00 N ATOM 0 H ASN A 86 -4.135 -8.842 1.311 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.245 -10.786 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.926 -11.401 2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.770 -10.008 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.583 -12.747 4.744 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.699 -12.020 3.138 1.00 0.00 H new ATOM 1390 N SER A 87 -7.578 -8.961 3.017 1.00 0.00 N ATOM 1391 CA SER A 87 -8.409 -8.046 3.782 1.00 0.00 C ATOM 1392 C SER A 87 -8.419 -8.364 5.310 1.00 0.00 C ATOM 1393 O SER A 87 -8.905 -7.565 6.109 1.00 0.00 O ATOM 1394 CB SER A 87 -9.813 -8.124 3.206 1.00 0.00 C ATOM 1395 OG SER A 87 -9.760 -8.083 1.780 1.00 0.00 O ATOM 0 H SER A 87 -8.103 -9.526 2.350 1.00 0.00 H new ATOM 0 HA SER A 87 -8.001 -7.039 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.299 -9.043 3.534 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.415 -7.295 3.580 1.00 0.00 H new ATOM 0 HG SER A 87 -10.669 -8.136 1.417 1.00 0.00 H new ATOM 1401 N ASP A 88 -7.853 -9.516 5.692 1.00 0.00 N ATOM 1402 CA ASP A 88 -7.817 -9.968 7.099 1.00 0.00 C ATOM 1403 C ASP A 88 -6.768 -9.260 7.918 1.00 0.00 C ATOM 1404 O ASP A 88 -6.731 -9.422 9.133 1.00 0.00 O ATOM 1405 CB ASP A 88 -7.525 -11.472 7.219 1.00 0.00 C ATOM 1406 CG ASP A 88 -8.587 -12.363 6.667 1.00 0.00 C ATOM 1407 OD1 ASP A 88 -8.538 -12.676 5.474 1.00 0.00 O ATOM 1408 OD2 ASP A 88 -9.472 -12.806 7.426 1.00 0.00 O ATOM 0 H ASP A 88 -7.407 -10.163 5.041 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.811 -9.734 7.480 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.587 -11.688 6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.377 -11.716 8.271 1.00 0.00 H new ATOM 1413 N VAL A 89 -5.883 -8.502 7.291 1.00 0.00 N ATOM 1414 CA VAL A 89 -4.832 -7.898 8.057 1.00 0.00 C ATOM 1415 C VAL A 89 -5.328 -6.702 8.896 1.00 0.00 C ATOM 1416 O VAL A 89 -5.288 -6.754 10.119 1.00 0.00 O ATOM 1417 CB VAL A 89 -3.558 -7.548 7.200 1.00 0.00 C ATOM 1418 CG1 VAL A 89 -2.992 -8.807 6.551 1.00 0.00 C ATOM 1419 CG2 VAL A 89 -3.861 -6.520 6.139 1.00 0.00 C ATOM 0 H VAL A 89 -5.877 -8.301 6.291 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.507 -8.661 8.765 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.817 -7.124 7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.112 -8.549 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.713 -9.522 7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.746 -9.252 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.956 -6.307 5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.629 -6.905 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.217 -5.604 6.611 1.00 0.00 H new ATOM 1429 N LEU A 90 -5.880 -5.705 8.261 1.00 0.00 N ATOM 1430 CA LEU A 90 -6.290 -4.489 8.931 1.00 0.00 C ATOM 1431 C LEU A 90 -7.537 -3.982 8.277 1.00 0.00 C ATOM 1432 O LEU A 90 -8.044 -4.631 7.358 1.00 0.00 O ATOM 1433 CB LEU A 90 -5.179 -3.438 8.868 1.00 0.00 C ATOM 1434 CG LEU A 90 -3.871 -3.804 9.569 1.00 0.00 C ATOM 1435 CD1 LEU A 90 -2.820 -2.755 9.291 1.00 0.00 C ATOM 1436 CD2 LEU A 90 -4.075 -3.931 11.074 1.00 0.00 C ATOM 0 H LEU A 90 -6.062 -5.708 7.257 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.487 -4.696 9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.961 -3.231 7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.556 -2.513 9.304 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.539 -4.766 9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.893 -3.026 9.795 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.644 -2.692 8.217 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.164 -1.789 9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.129 -4.192 11.549 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.432 -2.982 11.474 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.810 -4.710 11.277 1.00 0.00 H new ATOM 1448 N LYS A 91 -8.036 -2.846 8.730 1.00 0.00 N ATOM 1449 CA LYS A 91 -9.278 -2.327 8.214 1.00 0.00 C ATOM 1450 C LYS A 91 -9.219 -1.865 6.774 1.00 0.00 C ATOM 1451 O LYS A 91 -8.757 -0.781 6.459 1.00 0.00 O ATOM 1452 CB LYS A 91 -9.921 -1.252 9.075 1.00 0.00 C ATOM 1453 CG LYS A 91 -9.089 -0.004 9.323 1.00 0.00 C ATOM 1454 CD LYS A 91 -9.969 1.112 9.853 1.00 0.00 C ATOM 1455 CE LYS A 91 -9.227 2.427 9.919 1.00 0.00 C ATOM 1456 NZ LYS A 91 -10.113 3.533 10.323 1.00 0.00 N ATOM 0 H LYS A 91 -7.599 -2.272 9.451 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.921 -3.206 8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.858 -0.952 8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.175 -1.692 10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.296 -0.223 10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.607 0.311 8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.844 1.220 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.331 0.849 10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.402 2.344 10.627 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.790 2.648 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.569 4.419 10.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.886 3.628 9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.510 3.334 11.263 1.00 0.00 H new ATOM 1470 N ILE A 92 -9.641 -2.714 5.916 1.00 0.00 N ATOM 1471 CA ILE A 92 -9.818 -2.391 4.543 1.00 0.00 C ATOM 1472 C ILE A 92 -11.100 -3.078 4.153 1.00 0.00 C ATOM 1473 O ILE A 92 -11.138 -4.312 4.049 1.00 0.00 O ATOM 1474 CB ILE A 92 -8.682 -2.940 3.655 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -7.328 -2.632 4.299 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -8.780 -2.309 2.264 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -6.135 -2.896 3.415 1.00 0.00 C ATOM 0 H ILE A 92 -9.880 -3.678 6.149 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.828 -1.310 4.406 1.00 0.00 H new ATOM 0 HB ILE A 92 -8.776 -4.022 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.315 -1.585 4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.229 -3.227 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.979 -2.694 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.744 -2.557 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.687 -1.226 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.221 -2.649 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.117 -3.949 3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.204 -2.281 2.518 1.00 0.00 H new ATOM 1489 N THR A 93 -12.153 -2.324 4.072 1.00 0.00 N ATOM 1490 CA THR A 93 -13.458 -2.848 3.772 1.00 0.00 C ATOM 1491 C THR A 93 -13.475 -3.408 2.356 1.00 0.00 C ATOM 1492 O THR A 93 -12.917 -2.797 1.441 1.00 0.00 O ATOM 1493 CB THR A 93 -14.467 -1.725 3.887 1.00 0.00 C ATOM 1494 OG1 THR A 93 -14.124 -0.936 5.050 1.00 0.00 O ATOM 1495 CG2 THR A 93 -15.871 -2.277 4.075 1.00 0.00 C ATOM 0 H THR A 93 -12.134 -1.314 4.214 1.00 0.00 H new ATOM 0 HA THR A 93 -13.707 -3.647 4.470 1.00 0.00 H new ATOM 0 HB THR A 93 -14.446 -1.127 2.976 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.661 -0.120 4.767 1.00 0.00 H new ATOM 0 HG21 THR A 93 -16.579 -1.452 4.155 1.00 0.00 H new ATOM 0 HG22 THR A 93 -16.135 -2.899 3.220 1.00 0.00 H new ATOM 0 HG23 THR A 93 -15.908 -2.876 4.985 1.00 0.00 H new ATOM 1503 N GLY A 94 -14.141 -4.527 2.175 1.00 0.00 N ATOM 1504 CA GLY A 94 -14.121 -5.192 0.926 1.00 0.00 C ATOM 1505 C GLY A 94 -14.989 -4.524 -0.034 1.00 0.00 C ATOM 1506 O GLY A 94 -14.672 -4.456 -1.199 1.00 0.00 O ATOM 0 H GLY A 94 -14.702 -4.985 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.101 -5.221 0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.442 -6.226 1.055 1.00 0.00 H new ATOM 1510 N ASP A 95 -16.087 -4.005 0.452 1.00 0.00 N ATOM 1511 CA ASP A 95 -16.951 -3.266 -0.388 1.00 0.00 C ATOM 1512 C ASP A 95 -17.198 -1.904 0.157 1.00 0.00 C ATOM 1513 O ASP A 95 -17.358 -1.717 1.362 1.00 0.00 O ATOM 1514 CB ASP A 95 -18.266 -3.962 -0.724 1.00 0.00 C ATOM 1515 CG ASP A 95 -19.212 -3.031 -1.479 1.00 0.00 C ATOM 1516 OD1 ASP A 95 -18.809 -2.460 -2.525 1.00 0.00 O ATOM 1517 OD2 ASP A 95 -20.328 -2.783 -0.986 1.00 0.00 O ATOM 0 H ASP A 95 -16.390 -4.088 1.422 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.418 -3.185 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -18.067 -4.848 -1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -18.744 -4.302 0.194 1.00 0.00 H new ATOM 1522 N THR A 96 -17.216 -0.969 -0.717 1.00 0.00 N ATOM 1523 CA THR A 96 -17.449 0.380 -0.376 1.00 0.00 C ATOM 1524 C THR A 96 -18.008 1.110 -1.604 1.00 0.00 C ATOM 1525 O THR A 96 -18.219 2.323 -1.573 1.00 0.00 O ATOM 1526 CB THR A 96 -16.129 1.021 0.159 1.00 0.00 C ATOM 1527 OG1 THR A 96 -16.323 2.368 0.628 1.00 0.00 O ATOM 1528 CG2 THR A 96 -15.033 0.966 -0.904 1.00 0.00 C ATOM 0 H THR A 96 -17.065 -1.126 -1.714 1.00 0.00 H new ATOM 0 HA THR A 96 -18.186 0.460 0.423 1.00 0.00 H new ATOM 0 HB THR A 96 -15.812 0.431 1.019 1.00 0.00 H new ATOM 0 HG1 THR A 96 -16.083 2.999 -0.082 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.122 1.418 -0.511 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.837 -0.072 -1.171 1.00 0.00 H new ATOM 0 HG23 THR A 96 -15.357 1.514 -1.789 1.00 0.00 H new ATOM 1536 N GLU A 97 -18.310 0.323 -2.670 1.00 0.00 N ATOM 1537 CA GLU A 97 -18.825 0.837 -3.958 1.00 0.00 C ATOM 1538 C GLU A 97 -17.934 1.965 -4.510 1.00 0.00 C ATOM 1539 O GLU A 97 -18.422 2.896 -5.153 1.00 0.00 O ATOM 1540 CB GLU A 97 -20.244 1.372 -3.762 1.00 0.00 C ATOM 1541 CG GLU A 97 -21.153 0.429 -3.015 1.00 0.00 C ATOM 1542 CD GLU A 97 -22.554 0.934 -2.952 1.00 0.00 C ATOM 1543 OE1 GLU A 97 -22.889 1.676 -2.001 1.00 0.00 O ATOM 1544 OE2 GLU A 97 -23.366 0.589 -3.833 1.00 0.00 O ATOM 0 H GLU A 97 -18.201 -0.691 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 97 -18.824 0.015 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -20.194 2.318 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -20.680 1.585 -4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -21.141 -0.547 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -20.774 0.286 -2.003 1.00 0.00 H new ATOM 1551 N ASN A 98 -16.638 1.867 -4.308 1.00 0.00 N ATOM 1552 CA ASN A 98 -15.759 2.961 -4.688 1.00 0.00 C ATOM 1553 C ASN A 98 -14.723 2.567 -5.714 1.00 0.00 C ATOM 1554 O ASN A 98 -14.669 1.440 -6.170 1.00 0.00 O ATOM 1555 CB ASN A 98 -15.039 3.574 -3.471 1.00 0.00 C ATOM 1556 CG ASN A 98 -15.932 4.283 -2.468 1.00 0.00 C ATOM 1557 OD1 ASN A 98 -15.641 4.289 -1.275 1.00 0.00 O ATOM 1558 ND2 ASN A 98 -16.984 4.898 -2.919 1.00 0.00 N ATOM 0 H ASN A 98 -16.173 1.060 -3.892 1.00 0.00 H new ATOM 0 HA ASN A 98 -16.420 3.703 -5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.500 2.781 -2.953 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.294 4.283 -3.832 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -17.594 5.404 -2.276 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -17.200 4.875 -3.916 1.00 0.00 H new ATOM 1565 N ASP A 99 -13.931 3.544 -6.070 1.00 0.00 N ATOM 1566 CA ASP A 99 -12.768 3.425 -6.950 1.00 0.00 C ATOM 1567 C ASP A 99 -11.589 3.963 -6.135 1.00 0.00 C ATOM 1568 O ASP A 99 -10.557 4.393 -6.634 1.00 0.00 O ATOM 1569 CB ASP A 99 -13.031 4.272 -8.206 1.00 0.00 C ATOM 1570 CG ASP A 99 -11.927 4.261 -9.240 1.00 0.00 C ATOM 1571 OD1 ASP A 99 -11.493 3.167 -9.660 1.00 0.00 O ATOM 1572 OD2 ASP A 99 -11.502 5.352 -9.675 1.00 0.00 O ATOM 0 H ASP A 99 -14.076 4.500 -5.744 1.00 0.00 H new ATOM 0 HA ASP A 99 -12.565 2.406 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -13.949 3.919 -8.676 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -13.207 5.303 -7.898 1.00 0.00 H new ATOM 1577 N SER A 100 -11.790 3.878 -4.840 1.00 0.00 N ATOM 1578 CA SER A 100 -10.916 4.399 -3.830 1.00 0.00 C ATOM 1579 C SER A 100 -9.597 3.614 -3.758 1.00 0.00 C ATOM 1580 O SER A 100 -9.535 2.406 -4.081 1.00 0.00 O ATOM 1581 CB SER A 100 -11.668 4.362 -2.482 1.00 0.00 C ATOM 1582 OG SER A 100 -10.945 4.943 -1.424 1.00 0.00 O ATOM 0 H SER A 100 -12.612 3.418 -4.449 1.00 0.00 H new ATOM 0 HA SER A 100 -10.644 5.425 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.620 4.882 -2.591 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.897 3.327 -2.230 1.00 0.00 H new ATOM 0 HG SER A 100 -10.246 5.526 -1.787 1.00 0.00 H new ATOM 1588 N CYS A 101 -8.571 4.309 -3.353 1.00 0.00 N ATOM 1589 CA CYS A 101 -7.251 3.775 -3.186 1.00 0.00 C ATOM 1590 C CYS A 101 -6.858 3.918 -1.720 1.00 0.00 C ATOM 1591 O CYS A 101 -7.337 4.833 -1.038 1.00 0.00 O ATOM 1592 CB CYS A 101 -6.307 4.518 -4.135 1.00 0.00 C ATOM 1593 SG CYS A 101 -6.730 6.247 -4.360 1.00 0.00 S ATOM 0 H CYS A 101 -8.635 5.300 -3.122 1.00 0.00 H new ATOM 0 HA CYS A 101 -7.199 2.716 -3.437 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -5.290 4.449 -3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -6.315 4.021 -5.105 1.00 0.00 H new ATOM 1598 N ALA A 102 -6.041 3.026 -1.212 1.00 0.00 N ATOM 1599 CA ALA A 102 -5.745 3.045 0.210 1.00 0.00 C ATOM 1600 C ALA A 102 -4.348 3.586 0.538 1.00 0.00 C ATOM 1601 O ALA A 102 -3.415 3.522 -0.286 1.00 0.00 O ATOM 1602 CB ALA A 102 -6.028 1.679 0.868 1.00 0.00 C ATOM 0 H ALA A 102 -5.576 2.291 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.434 3.763 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.795 1.732 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.080 1.424 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.410 0.914 0.399 1.00 0.00 H new ATOM 1608 N ALA A 103 -4.228 4.119 1.741 1.00 0.00 N ATOM 1609 CA ALA A 103 -3.011 4.697 2.262 1.00 0.00 C ATOM 1610 C ALA A 103 -2.857 4.339 3.743 1.00 0.00 C ATOM 1611 O ALA A 103 -3.851 4.091 4.439 1.00 0.00 O ATOM 1612 CB ALA A 103 -3.042 6.229 2.115 1.00 0.00 C ATOM 0 H ALA A 103 -5.004 4.161 2.401 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.169 4.298 1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.119 6.651 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.138 6.492 1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.891 6.630 2.668 1.00 0.00 H new ATOM 1618 N ILE A 104 -1.628 4.306 4.199 1.00 0.00 N ATOM 1619 CA ILE A 104 -1.284 4.105 5.610 1.00 0.00 C ATOM 1620 C ILE A 104 -1.525 5.420 6.302 1.00 0.00 C ATOM 1621 O ILE A 104 -0.920 6.403 5.934 1.00 0.00 O ATOM 1622 CB ILE A 104 0.241 3.756 5.746 1.00 0.00 C ATOM 1623 CG1 ILE A 104 0.563 2.343 5.237 1.00 0.00 C ATOM 1624 CG2 ILE A 104 0.798 3.979 7.183 1.00 0.00 C ATOM 1625 CD1 ILE A 104 0.100 1.243 6.152 1.00 0.00 C ATOM 0 H ILE A 104 -0.813 4.419 3.597 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.876 3.296 6.037 1.00 0.00 H new ATOM 0 HB ILE A 104 0.758 4.466 5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.102 2.206 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.640 2.255 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.856 3.719 7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.675 5.025 7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.253 3.349 7.886 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.365 0.277 5.722 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.581 1.352 7.124 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.982 1.302 6.274 1.00 0.00 H new ATOM 1637 N SER A 105 -2.404 5.451 7.260 1.00 0.00 N ATOM 1638 CA SER A 105 -2.690 6.691 7.950 1.00 0.00 C ATOM 1639 C SER A 105 -2.487 6.488 9.451 1.00 0.00 C ATOM 1640 O SER A 105 -3.031 7.210 10.290 1.00 0.00 O ATOM 1641 CB SER A 105 -4.127 7.139 7.623 1.00 0.00 C ATOM 1642 OG SER A 105 -4.406 8.458 8.085 1.00 0.00 O ATOM 0 H SER A 105 -2.936 4.643 7.585 1.00 0.00 H new ATOM 0 HA SER A 105 -2.012 7.478 7.620 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.281 7.095 6.545 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.833 6.442 8.075 1.00 0.00 H new ATOM 0 HG SER A 105 -4.063 8.565 8.997 1.00 0.00 H new ATOM 1648 N GLY A 106 -1.682 5.528 9.778 1.00 0.00 N ATOM 1649 CA GLY A 106 -1.405 5.227 11.136 1.00 0.00 C ATOM 1650 C GLY A 106 -1.048 3.800 11.242 1.00 0.00 C ATOM 1651 O GLY A 106 -0.266 3.314 10.444 1.00 0.00 O ATOM 0 H GLY A 106 -1.200 4.932 9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.588 5.849 11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.274 5.446 11.756 1.00 0.00 H new ATOM 1655 N ASP A 107 -1.661 3.109 12.165 1.00 0.00 N ATOM 1656 CA ASP A 107 -1.426 1.675 12.325 1.00 0.00 C ATOM 1657 C ASP A 107 -2.435 0.945 11.478 1.00 0.00 C ATOM 1658 O ASP A 107 -2.493 -0.274 11.459 1.00 0.00 O ATOM 1659 CB ASP A 107 -1.618 1.233 13.789 1.00 0.00 C ATOM 1660 CG ASP A 107 -0.773 1.994 14.776 1.00 0.00 C ATOM 1661 OD1 ASP A 107 -1.216 3.071 15.247 1.00 0.00 O ATOM 1662 OD2 ASP A 107 0.324 1.536 15.128 1.00 0.00 O ATOM 0 H ASP A 107 -2.330 3.505 12.825 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.402 1.450 12.027 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.668 1.351 14.058 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.385 0.171 13.870 1.00 0.00 H new ATOM 1667 N LYS A 108 -3.250 1.717 10.783 1.00 0.00 N ATOM 1668 CA LYS A 108 -4.330 1.187 10.012 1.00 0.00 C ATOM 1669 C LYS A 108 -4.204 1.649 8.589 1.00 0.00 C ATOM 1670 O LYS A 108 -3.513 2.646 8.293 1.00 0.00 O ATOM 1671 CB LYS A 108 -5.676 1.699 10.537 1.00 0.00 C ATOM 1672 CG LYS A 108 -5.862 1.636 12.039 1.00 0.00 C ATOM 1673 CD LYS A 108 -5.668 0.239 12.603 1.00 0.00 C ATOM 1674 CE LYS A 108 -5.786 0.241 14.120 1.00 0.00 C ATOM 1675 NZ LYS A 108 -7.148 0.589 14.562 1.00 0.00 N ATOM 0 H LYS A 108 -3.170 2.733 10.745 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.289 0.100 10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.800 2.734 10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.472 1.122 10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -5.156 2.316 12.516 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.862 1.988 12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.412 -0.435 12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.689 -0.142 12.312 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.518 -0.742 14.507 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.075 0.953 14.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.236 0.417 15.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.332 1.593 14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.839 0.003 14.051 1.00 0.00 H new ATOM 1689 N VAL A 109 -4.887 0.966 7.730 1.00 0.00 N ATOM 1690 CA VAL A 109 -4.935 1.307 6.349 1.00 0.00 C ATOM 1691 C VAL A 109 -6.250 2.023 6.164 1.00 0.00 C ATOM 1692 O VAL A 109 -7.245 1.625 6.752 1.00 0.00 O ATOM 1693 CB VAL A 109 -4.939 0.052 5.454 1.00 0.00 C ATOM 1694 CG1 VAL A 109 -4.442 0.374 4.057 1.00 0.00 C ATOM 1695 CG2 VAL A 109 -4.177 -1.103 6.090 1.00 0.00 C ATOM 0 H VAL A 109 -5.436 0.142 7.974 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.067 1.905 6.073 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.972 -0.281 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.456 -0.530 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.089 1.126 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.423 0.758 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.205 -1.967 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.141 -0.807 6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.639 -1.363 7.043 1.00 0.00 H new ATOM 1705 N THR A 110 -6.252 3.092 5.456 1.00 0.00 N ATOM 1706 CA THR A 110 -7.468 3.841 5.250 1.00 0.00 C ATOM 1707 C THR A 110 -7.599 4.137 3.773 1.00 0.00 C ATOM 1708 O THR A 110 -6.592 4.370 3.121 1.00 0.00 O ATOM 1709 CB THR A 110 -7.408 5.168 6.043 1.00 0.00 C ATOM 1710 OG1 THR A 110 -6.266 5.930 5.595 1.00 0.00 O ATOM 1711 CG2 THR A 110 -7.247 4.906 7.538 1.00 0.00 C ATOM 0 H THR A 110 -5.427 3.482 5.000 1.00 0.00 H new ATOM 0 HA THR A 110 -8.326 3.264 5.597 1.00 0.00 H new ATOM 0 HB THR A 110 -8.337 5.712 5.873 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.387 6.872 5.835 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.208 5.856 8.072 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.094 4.322 7.898 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.324 4.353 7.713 1.00 0.00 H new ATOM 1719 N PHE A 111 -8.787 4.142 3.247 1.00 0.00 N ATOM 1720 CA PHE A 111 -8.953 4.392 1.836 1.00 0.00 C ATOM 1721 C PHE A 111 -9.615 5.717 1.548 1.00 0.00 C ATOM 1722 O PHE A 111 -10.550 6.144 2.251 1.00 0.00 O ATOM 1723 CB PHE A 111 -9.613 3.216 1.102 1.00 0.00 C ATOM 1724 CG PHE A 111 -10.868 2.691 1.730 1.00 0.00 C ATOM 1725 CD1 PHE A 111 -12.101 3.244 1.432 1.00 0.00 C ATOM 1726 CD2 PHE A 111 -10.807 1.634 2.622 1.00 0.00 C ATOM 1727 CE1 PHE A 111 -13.249 2.753 2.010 1.00 0.00 C ATOM 1728 CE2 PHE A 111 -11.949 1.141 3.201 1.00 0.00 C ATOM 1729 CZ PHE A 111 -13.174 1.699 2.898 1.00 0.00 C ATOM 0 H PHE A 111 -9.652 3.978 3.763 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.947 4.474 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.840 3.527 0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.892 2.401 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.163 4.070 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.851 1.193 2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -14.206 3.191 1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -11.889 0.315 3.895 1.00 0.00 H new ATOM 0 HZ PHE A 111 -14.073 1.312 3.355 1.00 0.00 H new ATOM 1739 N GLU A 112 -9.113 6.373 0.533 1.00 0.00 N ATOM 1740 CA GLU A 112 -9.577 7.667 0.124 1.00 0.00 C ATOM 1741 C GLU A 112 -9.449 7.849 -1.379 1.00 0.00 C ATOM 1742 O GLU A 112 -9.138 6.898 -2.117 1.00 0.00 O ATOM 1743 CB GLU A 112 -8.865 8.789 0.915 1.00 0.00 C ATOM 1744 CG GLU A 112 -7.362 8.609 1.103 1.00 0.00 C ATOM 1745 CD GLU A 112 -6.800 9.616 2.075 1.00 0.00 C ATOM 1746 OE1 GLU A 112 -6.873 9.387 3.287 1.00 0.00 O ATOM 1747 OE2 GLU A 112 -6.304 10.681 1.652 1.00 0.00 O ATOM 0 H GLU A 112 -8.353 6.011 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.639 7.737 0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.039 9.736 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.330 8.867 1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.158 7.601 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.860 8.711 0.141 1.00 0.00 H new ATOM 1754 N SER A 113 -9.770 9.013 -1.814 1.00 0.00 N ATOM 1755 CA SER A 113 -9.704 9.407 -3.180 1.00 0.00 C ATOM 1756 C SER A 113 -8.247 9.575 -3.595 1.00 0.00 C ATOM 1757 O SER A 113 -7.500 10.249 -2.919 1.00 0.00 O ATOM 1758 CB SER A 113 -10.412 10.738 -3.263 1.00 0.00 C ATOM 1759 OG SER A 113 -11.664 10.669 -2.599 1.00 0.00 O ATOM 0 H SER A 113 -10.103 9.756 -1.199 1.00 0.00 H new ATOM 0 HA SER A 113 -10.161 8.666 -3.836 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.795 11.515 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.560 11.015 -4.307 1.00 0.00 H new ATOM 0 HG SER A 113 -12.114 11.538 -2.658 1.00 0.00 H new ATOM 1765 N CYS A 114 -7.863 8.970 -4.712 1.00 0.00 N ATOM 1766 CA CYS A 114 -6.493 9.048 -5.272 1.00 0.00 C ATOM 1767 C CYS A 114 -6.011 10.489 -5.521 1.00 0.00 C ATOM 1768 O CYS A 114 -4.824 10.727 -5.770 1.00 0.00 O ATOM 1769 CB CYS A 114 -6.448 8.259 -6.584 1.00 0.00 C ATOM 1770 SG CYS A 114 -6.816 6.495 -6.373 1.00 0.00 S ATOM 0 H CYS A 114 -8.495 8.399 -5.273 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.818 8.621 -4.530 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -7.163 8.691 -7.284 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.459 8.366 -7.031 1.00 0.00 H new ATOM 1775 N ASN A 115 -6.931 11.423 -5.443 1.00 0.00 N ATOM 1776 CA ASN A 115 -6.666 12.820 -5.679 1.00 0.00 C ATOM 1777 C ASN A 115 -6.259 13.589 -4.412 1.00 0.00 C ATOM 1778 O ASN A 115 -6.078 14.809 -4.471 1.00 0.00 O ATOM 1779 CB ASN A 115 -7.865 13.505 -6.360 1.00 0.00 C ATOM 1780 CG ASN A 115 -9.172 13.385 -5.592 1.00 0.00 C ATOM 1781 OD1 ASN A 115 -9.972 12.396 -5.930 1.00 0.00 O flip ATOM 1782 ND2 ASN A 115 -9.477 14.193 -4.720 1.00 0.00 N flip ATOM 0 H ASN A 115 -7.904 11.227 -5.209 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.808 12.850 -6.350 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -7.634 14.561 -6.499 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -7.999 13.075 -7.352 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -8.837 14.949 -4.479 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.371 14.108 -4.236 1.00 0.00 H new ATOM 1789 N SER A 116 -6.126 12.924 -3.272 1.00 0.00 N ATOM 1790 CA SER A 116 -5.631 13.614 -2.103 1.00 0.00 C ATOM 1791 C SER A 116 -4.083 13.649 -2.097 1.00 0.00 C ATOM 1792 O SER A 116 -3.425 12.767 -2.664 1.00 0.00 O ATOM 1793 CB SER A 116 -6.219 13.000 -0.822 1.00 0.00 C ATOM 1794 OG SER A 116 -6.129 11.601 -0.839 1.00 0.00 O ATOM 0 H SER A 116 -6.348 11.937 -3.139 1.00 0.00 H new ATOM 0 HA SER A 116 -5.964 14.651 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.689 13.390 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.262 13.298 -0.719 1.00 0.00 H new ATOM 0 HG SER A 116 -5.841 11.281 0.041 1.00 0.00 H new ATOM 1800 N ASP A 117 -3.520 14.689 -1.513 1.00 0.00 N ATOM 1801 CA ASP A 117 -2.074 14.851 -1.438 1.00 0.00 C ATOM 1802 C ASP A 117 -1.559 14.157 -0.198 1.00 0.00 C ATOM 1803 O ASP A 117 -1.804 14.600 0.932 1.00 0.00 O ATOM 1804 CB ASP A 117 -1.700 16.339 -1.415 1.00 0.00 C ATOM 1805 CG ASP A 117 -0.220 16.606 -1.456 1.00 0.00 C ATOM 1806 OD1 ASP A 117 0.407 16.406 -2.524 1.00 0.00 O ATOM 1807 OD2 ASP A 117 0.326 17.090 -0.451 1.00 0.00 O ATOM 0 H ASP A 117 -4.047 15.446 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.615 14.402 -2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.170 16.833 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -2.114 16.792 -0.514 1.00 0.00 H new ATOM 1812 N ASN A 118 -0.907 13.062 -0.404 1.00 0.00 N ATOM 1813 CA ASN A 118 -0.360 12.230 0.653 1.00 0.00 C ATOM 1814 C ASN A 118 1.009 11.798 0.227 1.00 0.00 C ATOM 1815 O ASN A 118 1.391 12.031 -0.886 1.00 0.00 O ATOM 1816 CB ASN A 118 -1.238 10.977 0.889 1.00 0.00 C ATOM 1817 CG ASN A 118 -2.581 11.250 1.551 1.00 0.00 C ATOM 1818 OD1 ASN A 118 -2.712 12.139 2.400 1.00 0.00 O ATOM 1819 ND2 ASN A 118 -3.581 10.490 1.176 1.00 0.00 N ATOM 0 H ASN A 118 -0.726 12.696 -1.339 1.00 0.00 H new ATOM 0 HA ASN A 118 -0.328 12.798 1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -1.415 10.489 -0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -0.681 10.273 1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.505 10.623 1.588 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.435 9.766 0.472 1.00 0.00 H new ATOM 1826 N ARG A 119 1.729 11.151 1.075 1.00 0.00 N ATOM 1827 CA ARG A 119 3.062 10.708 0.719 1.00 0.00 C ATOM 1828 C ARG A 119 2.903 9.296 0.179 1.00 0.00 C ATOM 1829 O ARG A 119 1.772 8.839 0.041 1.00 0.00 O ATOM 1830 CB ARG A 119 4.031 10.714 1.929 1.00 0.00 C ATOM 1831 CG ARG A 119 4.184 12.013 2.737 1.00 0.00 C ATOM 1832 CD ARG A 119 2.932 12.368 3.506 1.00 0.00 C ATOM 1833 NE ARG A 119 3.153 13.417 4.499 1.00 0.00 N ATOM 1834 CZ ARG A 119 2.395 14.506 4.671 1.00 0.00 C ATOM 1835 NH1 ARG A 119 1.633 14.957 3.684 1.00 0.00 N ATOM 1836 NH2 ARG A 119 2.506 15.211 5.783 1.00 0.00 N ATOM 0 H ARG A 119 1.433 10.910 2.021 1.00 0.00 H new ATOM 0 HA ARG A 119 3.499 11.385 -0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.709 9.932 2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.019 10.431 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 119 5.016 11.908 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.435 12.830 2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.162 12.693 2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 119 2.553 11.476 4.005 1.00 0.00 H new ATOM 0 HE ARG A 119 3.958 13.309 5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.622 14.473 2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.058 15.788 3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.167 14.924 6.505 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.931 16.042 5.919 1.00 0.00 H new ATOM 1850 N TRP A 120 3.972 8.580 -0.099 1.00 0.00 N ATOM 1851 CA TRP A 120 3.793 7.245 -0.665 1.00 0.00 C ATOM 1852 C TRP A 120 4.965 6.337 -0.346 1.00 0.00 C ATOM 1853 O TRP A 120 6.015 6.795 0.090 1.00 0.00 O ATOM 1854 CB TRP A 120 3.547 7.307 -2.193 1.00 0.00 C ATOM 1855 CG TRP A 120 4.734 7.716 -3.016 1.00 0.00 C ATOM 1856 CD1 TRP A 120 5.610 6.879 -3.627 1.00 0.00 C ATOM 1857 CD2 TRP A 120 5.172 9.046 -3.328 1.00 0.00 C ATOM 1858 NE1 TRP A 120 6.568 7.591 -4.288 1.00 0.00 N ATOM 1859 CE2 TRP A 120 6.324 8.922 -4.127 1.00 0.00 C ATOM 1860 CE3 TRP A 120 4.710 10.322 -3.013 1.00 0.00 C ATOM 1861 CZ2 TRP A 120 7.014 10.022 -4.610 1.00 0.00 C ATOM 1862 CZ3 TRP A 120 5.400 11.411 -3.497 1.00 0.00 C ATOM 1863 CH2 TRP A 120 6.540 11.252 -4.287 1.00 0.00 C ATOM 0 H TRP A 120 4.937 8.876 0.047 1.00 0.00 H new ATOM 0 HA TRP A 120 2.906 6.818 -0.197 1.00 0.00 H new ATOM 0 HB2 TRP A 120 3.211 6.326 -2.531 1.00 0.00 H new ATOM 0 HB3 TRP A 120 2.733 8.006 -2.386 1.00 0.00 H new ATOM 0 HD1 TRP A 120 5.556 5.801 -3.595 1.00 0.00 H new ATOM 0 HE1 TRP A 120 7.343 7.191 -4.818 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.829 10.454 -2.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 7.897 9.905 -5.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 5.053 12.406 -3.261 1.00 0.00 H new ATOM 0 HH2 TRP A 120 7.057 12.128 -4.650 1.00 0.00 H new ATOM 1874 N ILE A 121 4.784 5.059 -0.565 1.00 0.00 N ATOM 1875 CA ILE A 121 5.828 4.090 -0.318 1.00 0.00 C ATOM 1876 C ILE A 121 6.090 3.306 -1.587 1.00 0.00 C ATOM 1877 O ILE A 121 5.167 2.772 -2.200 1.00 0.00 O ATOM 1878 CB ILE A 121 5.434 3.109 0.817 1.00 0.00 C ATOM 1879 CG1 ILE A 121 5.148 3.879 2.096 1.00 0.00 C ATOM 1880 CG2 ILE A 121 6.562 2.096 1.072 1.00 0.00 C ATOM 1881 CD1 ILE A 121 4.382 3.092 3.122 1.00 0.00 C ATOM 0 H ILE A 121 3.914 4.660 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 121 6.725 4.626 -0.009 1.00 0.00 H new ATOM 0 HB ILE A 121 4.538 2.571 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.093 4.203 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.585 4.779 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.267 1.416 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.751 1.526 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.469 2.627 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 121 4.217 3.709 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 121 3.421 2.790 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 121 4.952 2.205 3.400 1.00 0.00 H new ATOM 1893 N CYS A 122 7.317 3.256 -1.976 1.00 0.00 N ATOM 1894 CA CYS A 122 7.716 2.503 -3.133 1.00 0.00 C ATOM 1895 C CYS A 122 8.325 1.225 -2.680 1.00 0.00 C ATOM 1896 O CYS A 122 8.956 1.185 -1.631 1.00 0.00 O ATOM 1897 CB CYS A 122 8.750 3.280 -3.945 1.00 0.00 C ATOM 1898 SG CYS A 122 8.124 4.807 -4.684 1.00 0.00 S ATOM 0 H CYS A 122 8.083 3.736 -1.503 1.00 0.00 H new ATOM 0 HA CYS A 122 6.842 2.316 -3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 122 9.594 3.522 -3.299 1.00 0.00 H new ATOM 0 HB3 CYS A 122 9.130 2.636 -4.738 1.00 0.00 H new ATOM 1903 N GLN A 123 8.118 0.186 -3.409 1.00 0.00 N ATOM 1904 CA GLN A 123 8.787 -1.021 -3.127 1.00 0.00 C ATOM 1905 C GLN A 123 9.282 -1.571 -4.423 1.00 0.00 C ATOM 1906 O GLN A 123 8.721 -1.316 -5.468 1.00 0.00 O ATOM 1907 CB GLN A 123 7.925 -2.076 -2.397 1.00 0.00 C ATOM 1908 CG GLN A 123 6.977 -2.864 -3.277 1.00 0.00 C ATOM 1909 CD GLN A 123 6.315 -4.016 -2.546 1.00 0.00 C ATOM 1910 OE1 GLN A 123 6.062 -3.970 -1.368 1.00 0.00 O ATOM 1911 NE2 GLN A 123 6.095 -5.084 -3.224 1.00 0.00 N ATOM 0 H GLN A 123 7.486 0.154 -4.209 1.00 0.00 H new ATOM 0 HA GLN A 123 9.599 -0.796 -2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.590 -2.776 -1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.343 -1.573 -1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.208 -2.196 -3.664 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.524 -3.252 -4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.313 -5.110 -4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.702 -5.907 -2.767 1.00 0.00 H new ATOM 1920 N LYS A 124 10.306 -2.282 -4.376 1.00 0.00 N ATOM 1921 CA LYS A 124 10.785 -2.896 -5.534 1.00 0.00 C ATOM 1922 C LYS A 124 10.491 -4.346 -5.365 1.00 0.00 C ATOM 1923 O LYS A 124 10.840 -4.946 -4.331 1.00 0.00 O ATOM 1924 CB LYS A 124 12.266 -2.599 -5.730 1.00 0.00 C ATOM 1925 CG LYS A 124 12.823 -3.082 -7.053 1.00 0.00 C ATOM 1926 CD LYS A 124 14.267 -2.654 -7.222 1.00 0.00 C ATOM 1927 CE LYS A 124 14.419 -1.190 -7.597 1.00 0.00 C ATOM 1928 NZ LYS A 124 14.207 -0.984 -9.042 1.00 0.00 N ATOM 0 H LYS A 124 10.849 -2.464 -3.532 1.00 0.00 H new ATOM 0 HA LYS A 124 10.306 -2.520 -6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.423 -1.523 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 124 12.829 -3.063 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.753 -4.168 -7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.223 -2.684 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.806 -2.842 -6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.734 -3.269 -7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 124 13.704 -0.591 -7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.414 -0.842 -7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 14.284 0.029 -9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.927 -1.511 -9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 13.261 -1.325 -9.306 1.00 0.00 H new ATOM 1942 N GLU A 125 9.766 -4.870 -6.305 1.00 0.00 N ATOM 1943 CA GLU A 125 9.281 -6.205 -6.245 1.00 0.00 C ATOM 1944 C GLU A 125 10.382 -7.193 -6.462 1.00 0.00 C ATOM 1945 O GLU A 125 11.076 -7.174 -7.482 1.00 0.00 O ATOM 1946 CB GLU A 125 8.168 -6.425 -7.263 1.00 0.00 C ATOM 1947 CG GLU A 125 7.586 -7.824 -7.261 1.00 0.00 C ATOM 1948 CD GLU A 125 6.696 -8.075 -8.439 1.00 0.00 C ATOM 1949 OE1 GLU A 125 5.579 -7.537 -8.478 1.00 0.00 O ATOM 1950 OE2 GLU A 125 7.108 -8.824 -9.358 1.00 0.00 O ATOM 0 H GLU A 125 9.492 -4.368 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 125 8.875 -6.362 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.368 -5.711 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 125 8.554 -6.207 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.397 -8.552 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.020 -7.977 -6.342 1.00 0.00 H new ATOM 1957 N LEU A 126 10.579 -7.983 -5.470 1.00 0.00 N ATOM 1958 CA LEU A 126 11.445 -9.101 -5.533 1.00 0.00 C ATOM 1959 C LEU A 126 10.542 -10.328 -5.824 1.00 0.00 C ATOM 1960 O LEU A 126 10.878 -11.175 -6.646 1.00 0.00 O ATOM 1961 CB LEU A 126 12.226 -9.218 -4.193 1.00 0.00 C ATOM 1962 CG LEU A 126 13.539 -8.414 -3.981 1.00 0.00 C ATOM 1963 CD1 LEU A 126 13.600 -7.077 -4.687 1.00 0.00 C ATOM 1964 CD2 LEU A 126 13.735 -8.188 -2.519 1.00 0.00 C ATOM 0 H LEU A 126 10.127 -7.865 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 126 12.199 -9.018 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 126 11.541 -8.935 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 126 12.465 -10.272 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 126 14.329 -9.021 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 126 14.555 -6.597 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 126 13.501 -7.228 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.788 -6.441 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 126 14.654 -7.624 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 126 12.890 -7.626 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.804 -9.149 -2.008 1.00 0.00 H new ATOM 1976 N TYR A 127 9.348 -10.348 -5.197 1.00 0.00 N ATOM 1977 CA TYR A 127 8.323 -11.389 -5.403 1.00 0.00 C ATOM 1978 C TYR A 127 6.899 -10.786 -5.202 1.00 0.00 C ATOM 1979 O TYR A 127 6.770 -9.687 -4.641 1.00 0.00 O ATOM 1980 CB TYR A 127 8.490 -12.570 -4.429 1.00 0.00 C ATOM 1981 CG TYR A 127 9.618 -13.541 -4.724 1.00 0.00 C ATOM 1982 CD1 TYR A 127 10.898 -13.350 -4.227 1.00 0.00 C ATOM 1983 CD2 TYR A 127 9.379 -14.680 -5.473 1.00 0.00 C ATOM 1984 CE1 TYR A 127 11.897 -14.259 -4.466 1.00 0.00 C ATOM 1985 CE2 TYR A 127 10.377 -15.592 -5.725 1.00 0.00 C ATOM 1986 CZ TYR A 127 11.635 -15.378 -5.217 1.00 0.00 C ATOM 1987 OH TYR A 127 12.634 -16.295 -5.457 1.00 0.00 O ATOM 0 H TYR A 127 9.066 -9.633 -4.526 1.00 0.00 H new ATOM 0 HA TYR A 127 8.447 -11.757 -6.422 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.641 -12.167 -3.428 1.00 0.00 H new ATOM 0 HB3 TYR A 127 7.555 -13.130 -4.409 1.00 0.00 H new ATOM 0 HD1 TYR A 127 11.113 -12.469 -3.641 1.00 0.00 H new ATOM 0 HD2 TYR A 127 8.389 -14.856 -5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 127 12.886 -14.095 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 127 10.173 -16.471 -6.319 1.00 0.00 H new ATOM 0 HH TYR A 127 12.281 -17.028 -6.004 1.00 0.00 H new ATOM 1997 N HIS A 128 5.833 -11.509 -5.625 1.00 0.00 N ATOM 1998 CA HIS A 128 4.425 -11.030 -5.458 1.00 0.00 C ATOM 1999 C HIS A 128 3.453 -12.179 -5.096 1.00 0.00 C ATOM 2000 O HIS A 128 3.718 -13.331 -5.432 1.00 0.00 O ATOM 2001 CB HIS A 128 3.911 -10.231 -6.691 1.00 0.00 C ATOM 2002 CG HIS A 128 3.913 -10.955 -8.017 1.00 0.00 C ATOM 2003 ND1 HIS A 128 2.819 -11.593 -8.530 1.00 0.00 N ATOM 2004 CD2 HIS A 128 4.882 -11.104 -8.940 1.00 0.00 C ATOM 2005 CE1 HIS A 128 3.112 -12.104 -9.702 1.00 0.00 C ATOM 2006 NE2 HIS A 128 4.361 -11.825 -9.977 1.00 0.00 N ATOM 0 H HIS A 128 5.912 -12.418 -6.081 1.00 0.00 H new ATOM 0 HA HIS A 128 4.447 -10.339 -4.615 1.00 0.00 H new ATOM 0 HB2 HIS A 128 2.892 -9.903 -6.484 1.00 0.00 H new ATOM 0 HB3 HIS A 128 4.520 -9.333 -6.793 1.00 0.00 H new ATOM 0 HD2 HIS A 128 5.890 -10.722 -8.873 1.00 0.00 H new ATOM 0 HE1 HIS A 128 2.436 -12.661 -10.334 1.00 0.00 H new ATOM 0 HE2 HIS A 128 4.861 -12.100 -10.823 1.00 0.00 H new ATOM 2015 N GLU A 129 2.315 -11.840 -4.448 1.00 0.00 N ATOM 2016 CA GLU A 129 1.342 -12.837 -3.942 1.00 0.00 C ATOM 2017 C GLU A 129 -0.086 -12.607 -4.487 1.00 0.00 C ATOM 2018 O GLU A 129 -0.333 -11.669 -5.231 1.00 0.00 O ATOM 2019 CB GLU A 129 1.303 -12.795 -2.404 1.00 0.00 C ATOM 2020 CG GLU A 129 2.559 -13.304 -1.728 1.00 0.00 C ATOM 2021 CD GLU A 129 2.756 -14.781 -1.942 1.00 0.00 C ATOM 2022 OE1 GLU A 129 3.304 -15.178 -2.979 1.00 0.00 O ATOM 2023 OE2 GLU A 129 2.360 -15.571 -1.070 1.00 0.00 O ATOM 0 H GLU A 129 2.046 -10.874 -4.262 1.00 0.00 H new ATOM 0 HA GLU A 129 1.678 -13.813 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.126 -11.768 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.455 -13.386 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.423 -12.763 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.505 -13.097 -0.659 1.00 0.00 H new ATOM 2030 N THR A 130 -1.002 -13.486 -4.098 1.00 0.00 N ATOM 2031 CA THR A 130 -2.410 -13.432 -4.466 1.00 0.00 C ATOM 2032 C THR A 130 -3.273 -14.151 -3.429 1.00 0.00 C ATOM 2033 O THR A 130 -3.170 -15.370 -3.279 1.00 0.00 O ATOM 2034 CB THR A 130 -2.671 -14.114 -5.842 1.00 0.00 C ATOM 2035 OG1 THR A 130 -2.112 -13.340 -6.918 1.00 0.00 O ATOM 2036 CG2 THR A 130 -4.167 -14.352 -6.080 1.00 0.00 C ATOM 0 H THR A 130 -0.777 -14.280 -3.499 1.00 0.00 H new ATOM 0 HA THR A 130 -2.672 -12.375 -4.519 1.00 0.00 H new ATOM 0 HB THR A 130 -2.175 -15.084 -5.818 1.00 0.00 H new ATOM 0 HG1 THR A 130 -1.581 -12.603 -6.550 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.310 -14.829 -7.050 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.562 -14.998 -5.296 1.00 0.00 H new ATOM 0 HG23 THR A 130 -4.694 -13.398 -6.064 1.00 0.00 H new