USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 861 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 5 SER OG : rot -109:sc= 0.0886 USER MOD Set 3.2: A 44 MET CE :methyl -128:sc= -3.05! (180deg=-4.86!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0758 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 63:sc= 0.263 USER MOD Single : A 17 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.1) USER MOD Single : A 22 HIS : no HE2:sc= -2.64! C(o=-2.6!,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.828 K(o=-0.83,f=-3.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -147:sc= 0.237 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= -4.05! (180deg=-4.63!) USER MOD Single : A 50 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.6!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 72 ASN : amide:sc= -0.932 K(o=-0.93,f=-0.022) USER MOD Single : A 73 LYS NZ :NH3+ -114:sc= -0.391 (180deg=-3.57!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 1:sc= 0.799 USER MOD Single : A 80 SER OG : rot 180:sc= -0.561 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.809 USER MOD Single : A 84 LYS NZ :NH3+ -151:sc= -0.108 (180deg=-0.853) USER MOD Single : A 89 TYR OH : rot 56:sc= 1.21 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.913 USER MOD Single : A 96 LYS NZ :NH3+ 164:sc=-0.00984 (180deg=-0.124) USER MOD Single : A 98 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.6) USER MOD Single : A 99 HIS : no HE2:sc= -0.577! C(o=-0.58!,f=-3.2!) USER MOD Single : A 101 GLN : amide:sc= -0.0297 X(o=-0.03,f=-0.52) USER MOD Single : A 103 SER OG : rot -140:sc= -0.515 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.121 25.149 -17.155 1.00 0.00 N ATOM 2 CA GLY A 1 4.116 25.509 -16.173 1.00 0.00 C ATOM 3 C GLY A 1 4.723 25.954 -14.857 1.00 0.00 C ATOM 4 O GLY A 1 5.905 26.293 -14.795 1.00 0.00 O ATOM 0 H1 GLY A 1 4.874 25.569 -18.074 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.049 25.506 -16.849 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.161 24.114 -17.247 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.494 26.310 -16.572 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.462 24.655 -15.997 1.00 0.00 H new ATOM 8 N SER A 2 3.913 25.955 -13.803 1.00 0.00 N ATOM 9 CA SER A 2 4.377 26.368 -12.484 1.00 0.00 C ATOM 10 C SER A 2 3.749 25.505 -11.393 1.00 0.00 C ATOM 11 O SER A 2 2.662 24.955 -11.570 1.00 0.00 O ATOM 12 CB SER A 2 4.043 27.841 -12.240 1.00 0.00 C ATOM 13 OG SER A 2 5.095 28.682 -12.680 1.00 0.00 O ATOM 0 H SER A 2 2.933 25.675 -13.837 1.00 0.00 H new ATOM 0 HA SER A 2 5.459 26.238 -12.449 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.123 28.100 -12.764 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.862 28.005 -11.178 1.00 0.00 H new ATOM 0 HG SER A 2 4.856 29.618 -12.515 1.00 0.00 H new ATOM 19 N SER A 3 4.442 25.391 -10.265 1.00 0.00 N ATOM 20 CA SER A 3 3.956 24.592 -9.146 1.00 0.00 C ATOM 21 C SER A 3 4.191 25.312 -7.822 1.00 0.00 C ATOM 22 O SER A 3 5.056 26.181 -7.720 1.00 0.00 O ATOM 23 CB SER A 3 4.647 23.228 -9.127 1.00 0.00 C ATOM 24 OG SER A 3 4.117 22.374 -10.127 1.00 0.00 O ATOM 0 H SER A 3 5.342 25.842 -10.101 1.00 0.00 H new ATOM 0 HA SER A 3 2.884 24.446 -9.275 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.718 23.357 -9.285 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.522 22.767 -8.147 1.00 0.00 H new ATOM 0 HG SER A 3 4.576 21.509 -10.095 1.00 0.00 H new ATOM 30 N GLY A 4 3.413 24.944 -6.808 1.00 0.00 N ATOM 31 CA GLY A 4 3.551 25.564 -5.503 1.00 0.00 C ATOM 32 C GLY A 4 2.443 25.162 -4.550 1.00 0.00 C ATOM 33 O GLY A 4 1.278 25.494 -4.767 1.00 0.00 O ATOM 0 H GLY A 4 2.690 24.227 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.514 25.288 -5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.552 26.648 -5.617 1.00 0.00 H new ATOM 37 N SER A 5 2.806 24.444 -3.492 1.00 0.00 N ATOM 38 CA SER A 5 1.833 23.991 -2.505 1.00 0.00 C ATOM 39 C SER A 5 1.415 25.137 -1.589 1.00 0.00 C ATOM 40 O SER A 5 2.241 25.955 -1.184 1.00 0.00 O ATOM 41 CB SER A 5 2.412 22.844 -1.675 1.00 0.00 C ATOM 42 OG SER A 5 1.471 22.377 -0.724 1.00 0.00 O ATOM 0 H SER A 5 3.767 24.163 -3.296 1.00 0.00 H new ATOM 0 HA SER A 5 0.951 23.635 -3.038 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.705 22.026 -2.333 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.314 23.180 -1.164 1.00 0.00 H new ATOM 0 HG SER A 5 1.759 22.637 0.176 1.00 0.00 H new ATOM 48 N SER A 6 0.127 25.190 -1.267 1.00 0.00 N ATOM 49 CA SER A 6 -0.403 26.237 -0.401 1.00 0.00 C ATOM 50 C SER A 6 0.070 26.045 1.036 1.00 0.00 C ATOM 51 O SER A 6 0.429 27.004 1.717 1.00 0.00 O ATOM 52 CB SER A 6 -1.932 26.245 -0.451 1.00 0.00 C ATOM 53 OG SER A 6 -2.402 26.946 -1.589 1.00 0.00 O ATOM 0 H SER A 6 -0.570 24.520 -1.593 1.00 0.00 H new ATOM 0 HA SER A 6 -0.030 27.196 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.303 25.220 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.326 26.708 0.454 1.00 0.00 H new ATOM 0 HG SER A 6 -3.382 26.935 -1.598 1.00 0.00 H new ATOM 59 N GLY A 7 0.066 24.796 1.492 1.00 0.00 N ATOM 60 CA GLY A 7 0.496 24.498 2.846 1.00 0.00 C ATOM 61 C GLY A 7 1.416 23.296 2.911 1.00 0.00 C ATOM 62 O GLY A 7 2.433 23.247 2.220 1.00 0.00 O ATOM 0 H GLY A 7 -0.227 23.985 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.008 25.366 3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.379 24.316 3.470 1.00 0.00 H new ATOM 66 N GLU A 8 1.060 22.324 3.745 1.00 0.00 N ATOM 67 CA GLU A 8 1.863 21.117 3.899 1.00 0.00 C ATOM 68 C GLU A 8 1.097 19.888 3.418 1.00 0.00 C ATOM 69 O GLU A 8 -0.080 19.974 3.066 1.00 0.00 O ATOM 70 CB GLU A 8 2.275 20.935 5.361 1.00 0.00 C ATOM 71 CG GLU A 8 2.978 22.146 5.951 1.00 0.00 C ATOM 72 CD GLU A 8 4.482 22.095 5.768 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.051 20.985 5.843 1.00 0.00 O ATOM 74 OE2 GLU A 8 5.091 23.163 5.549 1.00 0.00 O ATOM 0 H GLU A 8 0.221 22.349 4.324 1.00 0.00 H new ATOM 0 HA GLU A 8 2.759 21.227 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.388 20.715 5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.933 20.070 5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.589 23.051 5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.747 22.213 7.014 1.00 0.00 H new ATOM 81 N VAL A 9 1.773 18.743 3.406 1.00 0.00 N ATOM 82 CA VAL A 9 1.157 17.496 2.969 1.00 0.00 C ATOM 83 C VAL A 9 0.396 16.830 4.110 1.00 0.00 C ATOM 84 O VAL A 9 0.891 16.745 5.234 1.00 0.00 O ATOM 85 CB VAL A 9 2.209 16.511 2.425 1.00 0.00 C ATOM 86 CG1 VAL A 9 3.206 16.141 3.512 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.534 15.269 1.863 1.00 0.00 C ATOM 0 H VAL A 9 2.747 18.654 3.694 1.00 0.00 H new ATOM 0 HA VAL A 9 0.460 17.750 2.170 1.00 0.00 H new ATOM 0 HB VAL A 9 2.754 16.998 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.941 15.445 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.712 17.040 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.680 15.673 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.292 14.584 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.962 14.778 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.864 15.555 1.052 1.00 0.00 H new ATOM 97 N ASP A 10 -0.810 16.360 3.813 1.00 0.00 N ATOM 98 CA ASP A 10 -1.641 15.699 4.814 1.00 0.00 C ATOM 99 C ASP A 10 -1.980 14.275 4.385 1.00 0.00 C ATOM 100 O ASP A 10 -2.320 14.013 3.231 1.00 0.00 O ATOM 101 CB ASP A 10 -2.926 16.495 5.046 1.00 0.00 C ATOM 102 CG ASP A 10 -3.586 16.155 6.368 1.00 0.00 C ATOM 103 OD1 ASP A 10 -4.082 15.018 6.508 1.00 0.00 O ATOM 104 OD2 ASP A 10 -3.607 17.027 7.263 1.00 0.00 O ATOM 0 H ASP A 10 -1.235 16.424 2.888 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.078 15.653 5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.700 17.561 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.624 16.297 4.233 1.00 0.00 H new ATOM 109 N PRO A 11 -1.884 13.332 5.334 1.00 0.00 N ATOM 110 CA PRO A 11 -2.176 11.919 5.077 1.00 0.00 C ATOM 111 C PRO A 11 -3.661 11.667 4.839 1.00 0.00 C ATOM 112 O PRO A 11 -4.043 11.027 3.860 1.00 0.00 O ATOM 113 CB PRO A 11 -1.716 11.223 6.360 1.00 0.00 C ATOM 114 CG PRO A 11 -1.805 12.273 7.414 1.00 0.00 C ATOM 115 CD PRO A 11 -1.485 13.573 6.730 1.00 0.00 C ATOM 0 HA PRO A 11 -1.679 11.558 4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.351 10.370 6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.698 10.845 6.262 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.801 12.299 7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.102 12.074 8.223 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.038 14.404 7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.426 13.818 6.808 1.00 0.00 H new ATOM 123 N ALA A 12 -4.495 12.176 5.740 1.00 0.00 N ATOM 124 CA ALA A 12 -5.938 12.009 5.626 1.00 0.00 C ATOM 125 C ALA A 12 -6.439 12.471 4.262 1.00 0.00 C ATOM 126 O ALA A 12 -7.502 12.053 3.804 1.00 0.00 O ATOM 127 CB ALA A 12 -6.648 12.771 6.736 1.00 0.00 C ATOM 0 H ALA A 12 -4.195 12.708 6.557 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.164 10.947 5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.725 12.637 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.322 12.391 7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.406 13.831 6.662 1.00 0.00 H new ATOM 133 N LYS A 13 -5.665 13.337 3.616 1.00 0.00 N ATOM 134 CA LYS A 13 -6.028 13.857 2.303 1.00 0.00 C ATOM 135 C LYS A 13 -5.469 12.972 1.193 1.00 0.00 C ATOM 136 O LYS A 13 -6.047 12.880 0.109 1.00 0.00 O ATOM 137 CB LYS A 13 -5.512 15.288 2.137 1.00 0.00 C ATOM 138 CG LYS A 13 -6.047 16.253 3.181 1.00 0.00 C ATOM 139 CD LYS A 13 -7.362 16.875 2.743 1.00 0.00 C ATOM 140 CE LYS A 13 -8.242 17.215 3.936 1.00 0.00 C ATOM 141 NZ LYS A 13 -9.533 17.828 3.517 1.00 0.00 N ATOM 0 H LYS A 13 -4.782 13.694 3.981 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.116 13.859 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.423 15.280 2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.784 15.651 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.189 15.727 4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.314 17.039 3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.164 17.778 2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.890 16.186 2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.439 16.310 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.711 17.902 4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.104 18.045 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.346 18.705 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.052 17.163 2.909 1.00 0.00 H new ATOM 155 N CYS A 14 -4.345 12.322 1.472 1.00 0.00 N ATOM 156 CA CYS A 14 -3.708 11.443 0.497 1.00 0.00 C ATOM 157 C CYS A 14 -4.671 10.354 0.037 1.00 0.00 C ATOM 158 O CYS A 14 -5.700 10.112 0.669 1.00 0.00 O ATOM 159 CB CYS A 14 -2.451 10.810 1.094 1.00 0.00 C ATOM 160 SG CYS A 14 -1.057 11.950 1.259 1.00 0.00 S ATOM 0 H CYS A 14 -3.856 12.387 2.365 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.427 12.044 -0.368 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.693 10.404 2.076 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.148 9.970 0.468 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.374 12.907 2.080 1.00 0.00 H new ATOM 166 N VAL A 15 -4.332 9.700 -1.070 1.00 0.00 N ATOM 167 CA VAL A 15 -5.167 8.636 -1.616 1.00 0.00 C ATOM 168 C VAL A 15 -4.315 7.513 -2.196 1.00 0.00 C ATOM 169 O VAL A 15 -3.086 7.561 -2.145 1.00 0.00 O ATOM 170 CB VAL A 15 -6.110 9.169 -2.711 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.426 9.631 -2.104 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.444 10.298 -3.484 1.00 0.00 C ATOM 0 H VAL A 15 -3.485 9.888 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.764 8.246 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.324 8.359 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.079 10.004 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.908 8.793 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.235 10.427 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.124 10.663 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.199 11.111 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.531 9.930 -3.952 1.00 0.00 H new ATOM 182 N LEU A 16 -4.977 6.502 -2.748 1.00 0.00 N ATOM 183 CA LEU A 16 -4.281 5.364 -3.340 1.00 0.00 C ATOM 184 C LEU A 16 -4.856 5.028 -4.712 1.00 0.00 C ATOM 185 O LEU A 16 -6.067 5.092 -4.921 1.00 0.00 O ATOM 186 CB LEU A 16 -4.381 4.146 -2.420 1.00 0.00 C ATOM 187 CG LEU A 16 -3.959 4.365 -0.967 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.715 3.423 -0.043 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.457 4.174 -0.813 1.00 0.00 C ATOM 0 H LEU A 16 -5.994 6.447 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.232 5.634 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.412 3.793 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.768 3.348 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.206 5.390 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.401 3.594 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.786 3.608 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.501 2.391 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.175 4.334 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.187 3.161 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.932 4.890 -1.445 1.00 0.00 H new ATOM 201 N GLN A 17 -3.978 4.668 -5.643 1.00 0.00 N ATOM 202 CA GLN A 17 -4.399 4.321 -6.995 1.00 0.00 C ATOM 203 C GLN A 17 -4.222 2.828 -7.254 1.00 0.00 C ATOM 204 O GLN A 17 -3.473 2.151 -6.551 1.00 0.00 O ATOM 205 CB GLN A 17 -3.602 5.126 -8.023 1.00 0.00 C ATOM 206 CG GLN A 17 -4.174 6.509 -8.288 1.00 0.00 C ATOM 207 CD GLN A 17 -5.516 6.461 -8.992 1.00 0.00 C ATOM 208 OE1 GLN A 17 -5.846 5.479 -9.657 1.00 0.00 O ATOM 209 NE2 GLN A 17 -6.298 7.525 -8.848 1.00 0.00 N ATOM 0 H GLN A 17 -2.972 4.609 -5.486 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.457 4.566 -7.093 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.574 5.228 -7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.568 4.570 -8.960 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.283 7.040 -7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.470 7.079 -8.894 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.984 8.317 -8.287 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.213 7.550 -9.298 1.00 0.00 H new ATOM 218 N GLY A 18 -4.918 2.321 -8.267 1.00 0.00 N ATOM 219 CA GLY A 18 -4.824 0.912 -8.600 1.00 0.00 C ATOM 220 C GLY A 18 -6.181 0.239 -8.660 1.00 0.00 C ATOM 221 O GLY A 18 -6.955 0.303 -7.706 1.00 0.00 O ATOM 0 H GLY A 18 -5.545 2.861 -8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.324 0.802 -9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.204 0.407 -7.859 1.00 0.00 H new ATOM 225 N GLU A 19 -6.470 -0.407 -9.786 1.00 0.00 N ATOM 226 CA GLU A 19 -7.745 -1.092 -9.967 1.00 0.00 C ATOM 227 C GLU A 19 -7.850 -2.299 -9.039 1.00 0.00 C ATOM 228 O GLU A 19 -8.892 -2.535 -8.427 1.00 0.00 O ATOM 229 CB GLU A 19 -7.908 -1.537 -11.421 1.00 0.00 C ATOM 230 CG GLU A 19 -9.269 -2.139 -11.725 1.00 0.00 C ATOM 231 CD GLU A 19 -9.243 -3.066 -12.925 1.00 0.00 C ATOM 232 OE1 GLU A 19 -8.864 -4.244 -12.756 1.00 0.00 O ATOM 233 OE2 GLU A 19 -9.601 -2.614 -14.032 1.00 0.00 O ATOM 0 H GLU A 19 -5.839 -0.470 -10.585 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.543 -0.393 -9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.745 -0.680 -12.075 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.136 -2.269 -11.657 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.621 -2.690 -10.853 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.985 -1.337 -11.906 1.00 0.00 H new ATOM 240 N ASP A 20 -6.765 -3.059 -8.941 1.00 0.00 N ATOM 241 CA ASP A 20 -6.734 -4.241 -8.088 1.00 0.00 C ATOM 242 C ASP A 20 -5.869 -3.999 -6.855 1.00 0.00 C ATOM 243 O ASP A 20 -4.789 -4.576 -6.718 1.00 0.00 O ATOM 244 CB ASP A 20 -6.206 -5.446 -8.868 1.00 0.00 C ATOM 245 CG ASP A 20 -7.098 -5.814 -10.037 1.00 0.00 C ATOM 246 OD1 ASP A 20 -8.300 -6.067 -9.809 1.00 0.00 O ATOM 247 OD2 ASP A 20 -6.595 -5.852 -11.180 1.00 0.00 O ATOM 0 H ASP A 20 -5.895 -2.878 -9.442 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.753 -4.448 -7.760 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.203 -5.227 -9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.120 -6.301 -8.197 1.00 0.00 H new ATOM 252 N LEU A 21 -6.349 -3.142 -5.960 1.00 0.00 N ATOM 253 CA LEU A 21 -5.619 -2.823 -4.738 1.00 0.00 C ATOM 254 C LEU A 21 -6.016 -3.764 -3.605 1.00 0.00 C ATOM 255 O LEU A 21 -5.164 -4.246 -2.857 1.00 0.00 O ATOM 256 CB LEU A 21 -5.882 -1.373 -4.328 1.00 0.00 C ATOM 257 CG LEU A 21 -4.929 -0.328 -4.908 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.468 1.075 -4.674 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.542 -0.476 -4.301 1.00 0.00 C ATOM 0 H LEU A 21 -7.240 -2.656 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.555 -2.951 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.898 -1.112 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.839 -1.311 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.853 -0.491 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.776 1.805 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.440 1.177 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.575 1.250 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.877 0.276 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.601 -0.340 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.153 -1.470 -4.521 1.00 0.00 H new ATOM 271 N HIS A 22 -7.314 -4.023 -3.485 1.00 0.00 N ATOM 272 CA HIS A 22 -7.824 -4.910 -2.445 1.00 0.00 C ATOM 273 C HIS A 22 -7.774 -6.365 -2.899 1.00 0.00 C ATOM 274 O HIS A 22 -8.493 -7.214 -2.373 1.00 0.00 O ATOM 275 CB HIS A 22 -9.258 -4.527 -2.076 1.00 0.00 C ATOM 276 CG HIS A 22 -9.343 -3.412 -1.080 1.00 0.00 C ATOM 277 ND1 HIS A 22 -10.271 -3.382 -0.061 1.00 0.00 N ATOM 278 CD2 HIS A 22 -8.607 -2.283 -0.949 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.104 -2.283 0.652 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.100 -1.599 0.135 1.00 0.00 N ATOM 0 H HIS A 22 -8.032 -3.632 -4.095 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.189 -4.801 -1.566 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.792 -4.236 -2.981 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.767 -5.403 -1.673 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -10.977 -4.097 0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.785 -1.977 -1.580 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.689 -1.993 1.512 1.00 0.00 H new ATOM 289 N ARG A 23 -6.921 -6.646 -3.879 1.00 0.00 N ATOM 290 CA ARG A 23 -6.779 -7.998 -4.404 1.00 0.00 C ATOM 291 C ARG A 23 -5.344 -8.259 -4.853 1.00 0.00 C ATOM 292 O ARG A 23 -4.669 -7.364 -5.359 1.00 0.00 O ATOM 293 CB ARG A 23 -7.739 -8.216 -5.576 1.00 0.00 C ATOM 294 CG ARG A 23 -8.209 -9.654 -5.719 1.00 0.00 C ATOM 295 CD ARG A 23 -9.326 -9.776 -6.743 1.00 0.00 C ATOM 296 NE ARG A 23 -8.845 -9.563 -8.106 1.00 0.00 N ATOM 297 CZ ARG A 23 -9.531 -9.908 -9.190 1.00 0.00 C ATOM 298 NH1 ARG A 23 -10.722 -10.478 -9.071 1.00 0.00 N ATOM 299 NH2 ARG A 23 -9.027 -9.681 -10.396 1.00 0.00 N ATOM 0 H ARG A 23 -6.318 -5.955 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.025 -8.699 -3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.607 -7.570 -5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.247 -7.910 -6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.371 -10.284 -6.017 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.557 -10.022 -4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.779 -10.765 -6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.106 -9.050 -6.516 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.932 -9.125 -8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.114 -10.653 -8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.247 -10.742 -9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.112 -9.241 -10.492 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.555 -9.946 -11.228 1.00 0.00 H new ATOM 313 N ALA A 24 -4.886 -9.492 -4.663 1.00 0.00 N ATOM 314 CA ALA A 24 -3.533 -9.871 -5.050 1.00 0.00 C ATOM 315 C ALA A 24 -3.469 -11.340 -5.456 1.00 0.00 C ATOM 316 O ALA A 24 -4.401 -12.104 -5.205 1.00 0.00 O ATOM 317 CB ALA A 24 -2.562 -9.595 -3.911 1.00 0.00 C ATOM 0 H ALA A 24 -5.432 -10.245 -4.244 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.246 -9.269 -5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.555 -9.883 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.578 -8.532 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.856 -10.172 -3.034 1.00 0.00 H new ATOM 323 N ARG A 25 -2.365 -11.727 -6.086 1.00 0.00 N ATOM 324 CA ARG A 25 -2.181 -13.104 -6.529 1.00 0.00 C ATOM 325 C ARG A 25 -0.931 -13.714 -5.904 1.00 0.00 C ATOM 326 O ARG A 25 0.121 -13.078 -5.849 1.00 0.00 O ATOM 327 CB ARG A 25 -2.082 -13.162 -8.055 1.00 0.00 C ATOM 328 CG ARG A 25 -1.946 -14.574 -8.603 1.00 0.00 C ATOM 329 CD ARG A 25 -1.160 -14.593 -9.904 1.00 0.00 C ATOM 330 NE ARG A 25 -1.974 -14.173 -11.042 1.00 0.00 N ATOM 331 CZ ARG A 25 -2.848 -14.966 -11.652 1.00 0.00 C ATOM 332 NH1 ARG A 25 -3.020 -16.213 -11.237 1.00 0.00 N ATOM 333 NH2 ARG A 25 -3.552 -14.511 -12.681 1.00 0.00 N ATOM 0 H ARG A 25 -1.584 -11.107 -6.301 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.047 -13.682 -6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.969 -12.698 -8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.224 -12.572 -8.378 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.448 -15.205 -7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.936 -14.998 -8.769 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.295 -13.935 -9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.779 -15.598 -10.082 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.865 -13.219 -11.387 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.480 -16.567 -10.447 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.692 -16.819 -11.708 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.422 -13.552 -13.004 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.223 -15.120 -13.149 1.00 0.00 H new ATOM 347 N GLU A 26 -1.054 -14.951 -5.433 1.00 0.00 N ATOM 348 CA GLU A 26 0.067 -15.646 -4.810 1.00 0.00 C ATOM 349 C GLU A 26 1.328 -15.513 -5.657 1.00 0.00 C ATOM 350 O GLU A 26 1.311 -15.770 -6.861 1.00 0.00 O ATOM 351 CB GLU A 26 -0.271 -17.125 -4.606 1.00 0.00 C ATOM 352 CG GLU A 26 0.938 -17.985 -4.278 1.00 0.00 C ATOM 353 CD GLU A 26 1.356 -17.873 -2.824 1.00 0.00 C ATOM 354 OE1 GLU A 26 1.298 -16.753 -2.276 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.741 -18.905 -2.236 1.00 0.00 O ATOM 0 H GLU A 26 -1.918 -15.492 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 26 0.253 -15.186 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.000 -17.215 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.745 -17.509 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.712 -19.026 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.772 -17.691 -4.916 1.00 0.00 H new ATOM 362 N LYS A 27 2.422 -15.110 -5.020 1.00 0.00 N ATOM 363 CA LYS A 27 3.694 -14.942 -5.713 1.00 0.00 C ATOM 364 C LYS A 27 3.551 -13.981 -6.889 1.00 0.00 C ATOM 365 O LYS A 27 4.089 -14.224 -7.969 1.00 0.00 O ATOM 366 CB LYS A 27 4.211 -16.295 -6.207 1.00 0.00 C ATOM 367 CG LYS A 27 4.882 -17.122 -5.124 1.00 0.00 C ATOM 368 CD LYS A 27 5.578 -18.342 -5.704 1.00 0.00 C ATOM 369 CE LYS A 27 6.951 -17.991 -6.256 1.00 0.00 C ATOM 370 NZ LYS A 27 7.820 -19.193 -6.388 1.00 0.00 N ATOM 0 H LYS A 27 2.453 -14.893 -4.024 1.00 0.00 H new ATOM 0 HA LYS A 27 4.410 -14.521 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.379 -16.863 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.920 -16.129 -7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.608 -16.507 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.138 -17.440 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.679 -19.105 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.964 -18.770 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.840 -17.515 -7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.432 -17.266 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.747 -18.912 -6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.947 -19.634 -5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.374 -19.875 -7.034 1.00 0.00 H new ATOM 384 N GLN A 28 2.824 -12.890 -6.670 1.00 0.00 N ATOM 385 CA GLN A 28 2.612 -11.893 -7.713 1.00 0.00 C ATOM 386 C GLN A 28 3.093 -10.519 -7.258 1.00 0.00 C ATOM 387 O GLN A 28 2.974 -10.164 -6.085 1.00 0.00 O ATOM 388 CB GLN A 28 1.132 -11.828 -8.092 1.00 0.00 C ATOM 389 CG GLN A 28 0.850 -10.942 -9.295 1.00 0.00 C ATOM 390 CD GLN A 28 1.204 -11.611 -10.608 1.00 0.00 C ATOM 391 OE1 GLN A 28 1.483 -12.810 -10.652 1.00 0.00 O ATOM 392 NE2 GLN A 28 1.195 -10.838 -11.688 1.00 0.00 N ATOM 0 H GLN A 28 2.373 -12.674 -5.781 1.00 0.00 H new ATOM 0 HA GLN A 28 3.191 -12.190 -8.587 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.775 -12.836 -8.302 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.563 -11.460 -7.239 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.206 -10.671 -9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.416 -10.015 -9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.958 -9.849 -11.606 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.425 -11.233 -12.600 1.00 0.00 H new ATOM 401 N THR A 29 3.639 -9.749 -8.194 1.00 0.00 N ATOM 402 CA THR A 29 4.140 -8.414 -7.889 1.00 0.00 C ATOM 403 C THR A 29 3.055 -7.362 -8.084 1.00 0.00 C ATOM 404 O THR A 29 2.806 -6.915 -9.203 1.00 0.00 O ATOM 405 CB THR A 29 5.353 -8.055 -8.768 1.00 0.00 C ATOM 406 OG1 THR A 29 6.363 -9.062 -8.645 1.00 0.00 O ATOM 407 CG2 THR A 29 5.926 -6.703 -8.373 1.00 0.00 C ATOM 0 H THR A 29 3.746 -10.027 -9.170 1.00 0.00 H new ATOM 0 HA THR A 29 4.449 -8.423 -6.844 1.00 0.00 H new ATOM 0 HB THR A 29 5.019 -8.001 -9.804 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.130 -8.827 -9.208 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.781 -6.471 -9.007 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.163 -5.934 -8.497 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.245 -6.733 -7.331 1.00 0.00 H new ATOM 415 N ALA A 30 2.414 -6.969 -6.989 1.00 0.00 N ATOM 416 CA ALA A 30 1.357 -5.966 -7.040 1.00 0.00 C ATOM 417 C ALA A 30 1.889 -4.589 -6.661 1.00 0.00 C ATOM 418 O ALA A 30 2.319 -4.369 -5.528 1.00 0.00 O ATOM 419 CB ALA A 30 0.209 -6.362 -6.123 1.00 0.00 C ATOM 0 H ALA A 30 2.608 -7.330 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 30 0.988 -5.914 -8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.573 -5.604 -6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.196 -7.322 -6.441 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.573 -6.443 -5.099 1.00 0.00 H new ATOM 425 N SER A 31 1.857 -3.664 -7.615 1.00 0.00 N ATOM 426 CA SER A 31 2.340 -2.308 -7.381 1.00 0.00 C ATOM 427 C SER A 31 1.245 -1.284 -7.665 1.00 0.00 C ATOM 428 O SER A 31 0.379 -1.503 -8.512 1.00 0.00 O ATOM 429 CB SER A 31 3.561 -2.021 -8.258 1.00 0.00 C ATOM 430 OG SER A 31 3.230 -2.097 -9.634 1.00 0.00 O ATOM 0 H SER A 31 1.502 -3.829 -8.557 1.00 0.00 H new ATOM 0 HA SER A 31 2.626 -2.227 -6.332 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.952 -1.030 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.352 -2.736 -8.031 1.00 0.00 H new ATOM 0 HG SER A 31 4.026 -1.908 -10.173 1.00 0.00 H new ATOM 436 N PHE A 32 1.290 -0.166 -6.949 1.00 0.00 N ATOM 437 CA PHE A 32 0.301 0.892 -7.121 1.00 0.00 C ATOM 438 C PHE A 32 0.940 2.267 -6.944 1.00 0.00 C ATOM 439 O PHE A 32 2.087 2.381 -6.513 1.00 0.00 O ATOM 440 CB PHE A 32 -0.844 0.717 -6.122 1.00 0.00 C ATOM 441 CG PHE A 32 -0.386 0.311 -4.750 1.00 0.00 C ATOM 442 CD1 PHE A 32 -0.121 -1.018 -4.459 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.222 1.258 -3.752 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.301 -1.395 -3.198 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.200 0.886 -2.489 1.00 0.00 C ATOM 446 CZ PHE A 32 0.461 -0.441 -2.211 1.00 0.00 C ATOM 0 H PHE A 32 2.000 0.031 -6.244 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.096 0.822 -8.134 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.398 1.653 -6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.536 -0.034 -6.503 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.246 -1.768 -5.226 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.426 2.297 -3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.505 -2.434 -2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.326 1.634 -1.720 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.789 -0.733 -1.224 1.00 0.00 H new ATOM 456 N THR A 33 0.187 3.310 -7.281 1.00 0.00 N ATOM 457 CA THR A 33 0.678 4.677 -7.162 1.00 0.00 C ATOM 458 C THR A 33 0.062 5.380 -5.957 1.00 0.00 C ATOM 459 O THR A 33 -1.147 5.304 -5.733 1.00 0.00 O ATOM 460 CB THR A 33 0.375 5.496 -8.430 1.00 0.00 C ATOM 461 OG1 THR A 33 1.115 4.974 -9.539 1.00 0.00 O ATOM 462 CG2 THR A 33 0.725 6.962 -8.225 1.00 0.00 C ATOM 0 H THR A 33 -0.765 3.234 -7.638 1.00 0.00 H new ATOM 0 HA THR A 33 1.758 4.614 -7.029 1.00 0.00 H new ATOM 0 HB THR A 33 -0.692 5.420 -8.638 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.915 5.499 -10.342 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.502 7.520 -9.134 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.138 7.364 -7.399 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.786 7.054 -7.994 1.00 0.00 H new ATOM 470 N LEU A 34 0.899 6.063 -5.185 1.00 0.00 N ATOM 471 CA LEU A 34 0.435 6.781 -4.003 1.00 0.00 C ATOM 472 C LEU A 34 0.489 8.289 -4.225 1.00 0.00 C ATOM 473 O LEU A 34 1.563 8.891 -4.216 1.00 0.00 O ATOM 474 CB LEU A 34 1.283 6.403 -2.787 1.00 0.00 C ATOM 475 CG LEU A 34 1.097 7.272 -1.542 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.288 7.064 -0.949 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.173 6.963 -0.511 1.00 0.00 C ATOM 0 H LEU A 34 1.902 6.135 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.601 6.496 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.060 5.370 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.333 6.438 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 34 1.192 8.318 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.403 7.690 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.044 7.335 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.411 6.017 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.025 7.590 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.110 5.914 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.155 7.163 -0.939 1.00 0.00 H new ATOM 489 N LEU A 35 -0.677 8.895 -4.423 1.00 0.00 N ATOM 490 CA LEU A 35 -0.764 10.334 -4.646 1.00 0.00 C ATOM 491 C LEU A 35 -0.744 11.092 -3.323 1.00 0.00 C ATOM 492 O LEU A 35 -1.286 10.625 -2.320 1.00 0.00 O ATOM 493 CB LEU A 35 -2.037 10.674 -5.422 1.00 0.00 C ATOM 494 CG LEU A 35 -2.288 9.857 -6.691 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.767 9.862 -7.044 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.460 10.399 -7.846 1.00 0.00 C ATOM 0 H LEU A 35 -1.575 8.412 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 35 0.103 10.639 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.890 10.545 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.002 11.729 -5.694 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.984 8.827 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.927 9.276 -7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.338 9.426 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.097 10.887 -7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.651 9.806 -8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.733 11.437 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.401 10.343 -7.593 1.00 0.00 H new ATOM 508 N CYS A 36 -0.117 12.263 -3.327 1.00 0.00 N ATOM 509 CA CYS A 36 -0.027 13.087 -2.127 1.00 0.00 C ATOM 510 C CYS A 36 -0.704 14.437 -2.342 1.00 0.00 C ATOM 511 O CYS A 36 -0.473 15.106 -3.349 1.00 0.00 O ATOM 512 CB CYS A 36 1.436 13.294 -1.733 1.00 0.00 C ATOM 513 SG CYS A 36 2.346 11.759 -1.442 1.00 0.00 S ATOM 0 H CYS A 36 0.337 12.663 -4.148 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.543 12.567 -1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.937 13.857 -2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.475 13.904 -0.830 1.00 0.00 H new ATOM 0 HG CYS A 36 3.238 11.952 -0.516 1.00 0.00 H new ATOM 519 N LYS A 37 -1.543 14.830 -1.390 1.00 0.00 N ATOM 520 CA LYS A 37 -2.255 16.100 -1.474 1.00 0.00 C ATOM 521 C LYS A 37 -1.980 16.961 -0.245 1.00 0.00 C ATOM 522 O LYS A 37 -1.453 16.478 0.757 1.00 0.00 O ATOM 523 CB LYS A 37 -3.760 15.856 -1.613 1.00 0.00 C ATOM 524 CG LYS A 37 -4.183 15.444 -3.012 1.00 0.00 C ATOM 525 CD LYS A 37 -4.116 13.936 -3.193 1.00 0.00 C ATOM 526 CE LYS A 37 -3.807 13.561 -4.634 1.00 0.00 C ATOM 527 NZ LYS A 37 -2.398 13.875 -4.998 1.00 0.00 N ATOM 0 H LYS A 37 -1.747 14.287 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.896 16.632 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.060 15.080 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.294 16.764 -1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.199 15.790 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.539 15.929 -3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.350 13.523 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.065 13.490 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.991 12.497 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.483 14.096 -5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.280 13.799 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.168 14.843 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.760 13.203 -4.526 1.00 0.00 H new ATOM 541 N ASP A 38 -2.341 18.236 -0.329 1.00 0.00 N ATOM 542 CA ASP A 38 -2.135 19.164 0.777 1.00 0.00 C ATOM 543 C ASP A 38 -3.301 19.105 1.760 1.00 0.00 C ATOM 544 O ASP A 38 -4.234 18.322 1.584 1.00 0.00 O ATOM 545 CB ASP A 38 -1.968 20.590 0.251 1.00 0.00 C ATOM 546 CG ASP A 38 -3.297 21.277 0.007 1.00 0.00 C ATOM 547 OD1 ASP A 38 -4.307 20.567 -0.177 1.00 0.00 O ATOM 548 OD2 ASP A 38 -3.327 22.526 0.002 1.00 0.00 O ATOM 0 H ASP A 38 -2.778 18.651 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.225 18.870 1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.387 21.172 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.398 20.567 -0.678 1.00 0.00 H new ATOM 553 N ALA A 39 -3.239 19.936 2.794 1.00 0.00 N ATOM 554 CA ALA A 39 -4.289 19.979 3.804 1.00 0.00 C ATOM 555 C ALA A 39 -5.652 20.228 3.168 1.00 0.00 C ATOM 556 O ALA A 39 -6.672 19.732 3.648 1.00 0.00 O ATOM 557 CB ALA A 39 -3.983 21.053 4.838 1.00 0.00 C ATOM 0 H ALA A 39 -2.472 20.589 2.955 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.321 19.010 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.775 21.074 5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.032 20.831 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.922 22.024 4.347 1.00 0.00 H new ATOM 563 N ALA A 40 -5.663 21.000 2.086 1.00 0.00 N ATOM 564 CA ALA A 40 -6.902 21.313 1.383 1.00 0.00 C ATOM 565 C ALA A 40 -7.368 20.131 0.540 1.00 0.00 C ATOM 566 O ALA A 40 -8.522 20.076 0.115 1.00 0.00 O ATOM 567 CB ALA A 40 -6.716 22.546 0.511 1.00 0.00 C ATOM 0 H ALA A 40 -4.828 21.420 1.677 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.671 21.520 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.648 22.769 -0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.437 23.395 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.929 22.359 -0.220 1.00 0.00 H new ATOM 573 N GLY A 41 -6.464 19.186 0.301 1.00 0.00 N ATOM 574 CA GLY A 41 -6.803 18.018 -0.491 1.00 0.00 C ATOM 575 C GLY A 41 -6.530 18.221 -1.968 1.00 0.00 C ATOM 576 O GLY A 41 -7.118 17.546 -2.812 1.00 0.00 O ATOM 0 H GLY A 41 -5.503 19.208 0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.231 17.162 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.857 17.780 -0.349 1.00 0.00 H new ATOM 580 N GLU A 42 -5.637 19.155 -2.281 1.00 0.00 N ATOM 581 CA GLU A 42 -5.290 19.446 -3.667 1.00 0.00 C ATOM 582 C GLU A 42 -3.860 19.010 -3.973 1.00 0.00 C ATOM 583 O GLU A 42 -3.047 18.831 -3.066 1.00 0.00 O ATOM 584 CB GLU A 42 -5.452 20.940 -3.954 1.00 0.00 C ATOM 585 CG GLU A 42 -4.424 21.810 -3.250 1.00 0.00 C ATOM 586 CD GLU A 42 -4.881 23.248 -3.101 1.00 0.00 C ATOM 587 OE1 GLU A 42 -4.637 24.046 -4.030 1.00 0.00 O ATOM 588 OE2 GLU A 42 -5.480 23.575 -2.056 1.00 0.00 O ATOM 0 H GLU A 42 -5.141 19.723 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.968 18.885 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.380 21.105 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.451 21.254 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.216 21.395 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.489 21.786 -3.809 1.00 0.00 H new ATOM 595 N ILE A 43 -3.562 18.840 -5.257 1.00 0.00 N ATOM 596 CA ILE A 43 -2.231 18.426 -5.683 1.00 0.00 C ATOM 597 C ILE A 43 -1.171 19.422 -5.223 1.00 0.00 C ATOM 598 O ILE A 43 -1.371 20.634 -5.298 1.00 0.00 O ATOM 599 CB ILE A 43 -2.150 18.278 -7.214 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.247 17.337 -7.716 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.777 17.768 -7.625 1.00 0.00 C ATOM 602 CD1 ILE A 43 -3.044 15.897 -7.301 1.00 0.00 C ATOM 0 H ILE A 43 -4.224 18.983 -6.020 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.040 17.457 -5.222 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.302 19.257 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.210 17.682 -7.341 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.291 17.390 -8.804 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.735 17.669 -8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.014 18.473 -7.296 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.597 16.797 -7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.859 15.287 -7.692 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.096 15.534 -7.699 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.030 15.830 -6.213 1.00 0.00 H new ATOM 614 N MET A 44 -0.044 18.902 -4.749 1.00 0.00 N ATOM 615 CA MET A 44 1.049 19.746 -4.280 1.00 0.00 C ATOM 616 C MET A 44 2.257 19.635 -5.204 1.00 0.00 C ATOM 617 O MET A 44 3.061 20.560 -5.304 1.00 0.00 O ATOM 618 CB MET A 44 1.445 19.358 -2.854 1.00 0.00 C ATOM 619 CG MET A 44 1.840 17.897 -2.709 1.00 0.00 C ATOM 620 SD MET A 44 1.808 17.335 -0.996 1.00 0.00 S ATOM 621 CE MET A 44 2.931 18.505 -0.235 1.00 0.00 C ATOM 0 H MET A 44 0.137 17.901 -4.679 1.00 0.00 H new ATOM 0 HA MET A 44 0.704 20.780 -4.285 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.278 19.984 -2.534 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.611 19.569 -2.184 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.164 17.281 -3.302 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.841 17.753 -3.116 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.692 17.965 0.328 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.410 19.106 -1.008 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.375 19.157 0.439 1.00 0.00 H new ATOM 631 N GLY A 45 2.378 18.495 -5.879 1.00 0.00 N ATOM 632 CA GLY A 45 3.491 18.285 -6.785 1.00 0.00 C ATOM 633 C GLY A 45 4.834 18.433 -6.099 1.00 0.00 C ATOM 634 O GLY A 45 5.758 19.032 -6.650 1.00 0.00 O ATOM 0 H GLY A 45 1.725 17.714 -5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.417 17.289 -7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.426 18.998 -7.607 1.00 0.00 H new ATOM 638 N ARG A 46 4.943 17.889 -4.891 1.00 0.00 N ATOM 639 CA ARG A 46 6.183 17.966 -4.127 1.00 0.00 C ATOM 640 C ARG A 46 6.397 16.696 -3.309 1.00 0.00 C ATOM 641 O ARG A 46 5.448 15.979 -2.997 1.00 0.00 O ATOM 642 CB ARG A 46 6.161 19.184 -3.202 1.00 0.00 C ATOM 643 CG ARG A 46 6.190 20.512 -3.941 1.00 0.00 C ATOM 644 CD ARG A 46 5.473 21.601 -3.159 1.00 0.00 C ATOM 645 NE ARG A 46 5.911 22.937 -3.554 1.00 0.00 N ATOM 646 CZ ARG A 46 7.052 23.486 -3.151 1.00 0.00 C ATOM 647 NH1 ARG A 46 7.865 22.816 -2.345 1.00 0.00 N ATOM 648 NH2 ARG A 46 7.381 24.706 -3.553 1.00 0.00 N ATOM 0 H ARG A 46 4.188 17.390 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 46 7.009 18.067 -4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.265 19.143 -2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.017 19.134 -2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.224 20.809 -4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.721 20.396 -4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.398 21.511 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.653 21.461 -2.093 1.00 0.00 H new ATOM 0 HE ARG A 46 5.308 23.478 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.615 21.878 -2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.740 23.239 -2.037 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.758 25.224 -4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.257 25.126 -3.243 1.00 0.00 H new ATOM 662 N GLY A 47 7.652 16.425 -2.965 1.00 0.00 N ATOM 663 CA GLY A 47 7.969 15.241 -2.187 1.00 0.00 C ATOM 664 C GLY A 47 8.435 15.577 -0.784 1.00 0.00 C ATOM 665 O GLY A 47 8.369 16.730 -0.360 1.00 0.00 O ATOM 0 H GLY A 47 8.455 17.004 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.089 14.601 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.745 14.671 -2.698 1.00 0.00 H new ATOM 669 N GLY A 48 8.906 14.566 -0.061 1.00 0.00 N ATOM 670 CA GLY A 48 9.376 14.780 1.295 1.00 0.00 C ATOM 671 C GLY A 48 8.361 14.349 2.335 1.00 0.00 C ATOM 672 O GLY A 48 8.055 15.100 3.262 1.00 0.00 O ATOM 0 H GLY A 48 8.971 13.603 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.303 14.228 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.608 15.836 1.434 1.00 0.00 H new ATOM 676 N ASP A 49 7.837 13.138 2.182 1.00 0.00 N ATOM 677 CA ASP A 49 6.850 12.608 3.116 1.00 0.00 C ATOM 678 C ASP A 49 7.212 11.189 3.543 1.00 0.00 C ATOM 679 O ASP A 49 7.231 10.270 2.725 1.00 0.00 O ATOM 680 CB ASP A 49 5.458 12.624 2.482 1.00 0.00 C ATOM 681 CG ASP A 49 5.473 12.155 1.040 1.00 0.00 C ATOM 682 OD1 ASP A 49 6.178 12.780 0.221 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.779 11.163 0.732 1.00 0.00 O ATOM 0 H ASP A 49 8.079 12.505 1.420 1.00 0.00 H new ATOM 0 HA ASP A 49 6.845 13.244 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.791 11.986 3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.053 13.635 2.528 1.00 0.00 H new ATOM 688 N ASN A 50 7.500 11.019 4.829 1.00 0.00 N ATOM 689 CA ASN A 50 7.864 9.712 5.364 1.00 0.00 C ATOM 690 C ASN A 50 6.757 8.693 5.110 1.00 0.00 C ATOM 691 O ASN A 50 5.777 8.627 5.852 1.00 0.00 O ATOM 692 CB ASN A 50 8.145 9.813 6.865 1.00 0.00 C ATOM 693 CG ASN A 50 9.325 10.713 7.173 1.00 0.00 C ATOM 694 OD1 ASN A 50 9.770 11.485 6.324 1.00 0.00 O ATOM 695 ND2 ASN A 50 9.840 10.617 8.393 1.00 0.00 N ATOM 0 H ASN A 50 7.488 11.769 5.520 1.00 0.00 H new ATOM 0 HA ASN A 50 8.767 9.376 4.854 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.259 10.194 7.373 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.338 8.817 7.264 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.636 11.197 8.658 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.439 9.963 9.066 1.00 0.00 H new ATOM 702 N VAL A 51 6.922 7.899 4.057 1.00 0.00 N ATOM 703 CA VAL A 51 5.938 6.882 3.705 1.00 0.00 C ATOM 704 C VAL A 51 6.387 5.501 4.168 1.00 0.00 C ATOM 705 O VAL A 51 7.536 5.110 3.965 1.00 0.00 O ATOM 706 CB VAL A 51 5.687 6.845 2.186 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.722 5.725 1.830 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.161 8.188 1.700 1.00 0.00 C ATOM 0 H VAL A 51 7.728 7.940 3.433 1.00 0.00 H new ATOM 0 HA VAL A 51 5.011 7.149 4.212 1.00 0.00 H new ATOM 0 HB VAL A 51 6.634 6.648 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.557 5.715 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.143 4.769 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.773 5.887 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.989 8.144 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.224 8.417 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.892 8.966 1.919 1.00 0.00 H new ATOM 718 N GLN A 52 5.471 4.766 4.792 1.00 0.00 N ATOM 719 CA GLN A 52 5.773 3.427 5.284 1.00 0.00 C ATOM 720 C GLN A 52 4.742 2.419 4.788 1.00 0.00 C ATOM 721 O GLN A 52 3.537 2.657 4.869 1.00 0.00 O ATOM 722 CB GLN A 52 5.815 3.421 6.813 1.00 0.00 C ATOM 723 CG GLN A 52 7.194 3.712 7.385 1.00 0.00 C ATOM 724 CD GLN A 52 7.324 3.290 8.835 1.00 0.00 C ATOM 725 OE1 GLN A 52 6.800 3.947 9.735 1.00 0.00 O ATOM 726 NE2 GLN A 52 8.027 2.188 9.071 1.00 0.00 N ATOM 0 H GLN A 52 4.515 5.075 4.968 1.00 0.00 H new ATOM 0 HA GLN A 52 6.751 3.138 4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.110 4.162 7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.479 2.449 7.174 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.947 3.194 6.791 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.401 4.779 7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.444 1.674 8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.149 1.856 10.028 1.00 0.00 H new ATOM 735 N VAL A 53 5.224 1.291 4.274 1.00 0.00 N ATOM 736 CA VAL A 53 4.343 0.246 3.765 1.00 0.00 C ATOM 737 C VAL A 53 4.721 -1.116 4.336 1.00 0.00 C ATOM 738 O VAL A 53 5.800 -1.639 4.059 1.00 0.00 O ATOM 739 CB VAL A 53 4.386 0.176 2.227 1.00 0.00 C ATOM 740 CG1 VAL A 53 3.542 -0.984 1.722 1.00 0.00 C ATOM 741 CG2 VAL A 53 3.918 1.491 1.621 1.00 0.00 C ATOM 0 H VAL A 53 6.219 1.078 4.199 1.00 0.00 H new ATOM 0 HA VAL A 53 3.332 0.502 4.081 1.00 0.00 H new ATOM 0 HB VAL A 53 5.417 0.006 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.584 -1.018 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.927 -1.919 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.509 -0.848 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.955 1.424 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.895 1.694 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.569 2.298 1.957 1.00 0.00 H new ATOM 751 N ALA A 54 3.825 -1.687 5.134 1.00 0.00 N ATOM 752 CA ALA A 54 4.062 -2.990 5.742 1.00 0.00 C ATOM 753 C ALA A 54 2.871 -3.919 5.532 1.00 0.00 C ATOM 754 O ALA A 54 1.736 -3.572 5.857 1.00 0.00 O ATOM 755 CB ALA A 54 4.358 -2.834 7.226 1.00 0.00 C ATOM 0 H ALA A 54 2.927 -1.267 5.375 1.00 0.00 H new ATOM 0 HA ALA A 54 4.928 -3.438 5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.533 -3.815 7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.245 -2.214 7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.509 -2.361 7.719 1.00 0.00 H new ATOM 761 N VAL A 55 3.138 -5.102 4.987 1.00 0.00 N ATOM 762 CA VAL A 55 2.088 -6.081 4.734 1.00 0.00 C ATOM 763 C VAL A 55 2.126 -7.205 5.763 1.00 0.00 C ATOM 764 O VAL A 55 3.164 -7.834 5.974 1.00 0.00 O ATOM 765 CB VAL A 55 2.212 -6.686 3.323 1.00 0.00 C ATOM 766 CG1 VAL A 55 1.121 -7.720 3.087 1.00 0.00 C ATOM 767 CG2 VAL A 55 2.159 -5.592 2.268 1.00 0.00 C ATOM 0 H VAL A 55 4.072 -5.405 4.712 1.00 0.00 H new ATOM 0 HA VAL A 55 1.138 -5.553 4.812 1.00 0.00 H new ATOM 0 HB VAL A 55 3.177 -7.187 3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.225 -8.136 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.211 -8.519 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.144 -7.247 3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.248 -6.037 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.211 -5.060 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.980 -4.893 2.427 1.00 0.00 H new ATOM 777 N VAL A 56 0.987 -7.455 6.402 1.00 0.00 N ATOM 778 CA VAL A 56 0.890 -8.505 7.408 1.00 0.00 C ATOM 779 C VAL A 56 -0.341 -9.375 7.177 1.00 0.00 C ATOM 780 O VAL A 56 -1.474 -8.895 7.143 1.00 0.00 O ATOM 781 CB VAL A 56 0.828 -7.916 8.830 1.00 0.00 C ATOM 782 CG1 VAL A 56 0.709 -9.026 9.863 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.051 -7.053 9.101 1.00 0.00 C ATOM 0 H VAL A 56 0.119 -6.944 6.240 1.00 0.00 H new ATOM 0 HA VAL A 56 1.787 -9.117 7.314 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.058 -7.286 8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.667 -8.591 10.861 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.199 -9.599 9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.575 -9.685 9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.992 -6.644 10.110 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.952 -7.659 9.007 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.087 -6.236 8.380 1.00 0.00 H new ATOM 793 N PRO A 57 -0.116 -10.687 7.014 1.00 0.00 N ATOM 794 CA PRO A 57 -1.194 -11.653 6.784 1.00 0.00 C ATOM 795 C PRO A 57 -2.064 -11.856 8.020 1.00 0.00 C ATOM 796 O PRO A 57 -1.560 -12.140 9.107 1.00 0.00 O ATOM 797 CB PRO A 57 -0.447 -12.944 6.438 1.00 0.00 C ATOM 798 CG PRO A 57 0.884 -12.797 7.090 1.00 0.00 C ATOM 799 CD PRO A 57 1.209 -11.329 7.042 1.00 0.00 C ATOM 0 HA PRO A 57 -1.880 -11.320 6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.977 -13.820 6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.348 -13.067 5.360 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.857 -13.157 8.118 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.641 -13.382 6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.788 -11.017 7.911 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.797 -11.076 6.160 1.00 0.00 H new ATOM 807 N LYS A 58 -3.373 -11.709 7.847 1.00 0.00 N ATOM 808 CA LYS A 58 -4.314 -11.877 8.948 1.00 0.00 C ATOM 809 C LYS A 58 -4.142 -13.242 9.607 1.00 0.00 C ATOM 810 O LYS A 58 -4.292 -13.379 10.821 1.00 0.00 O ATOM 811 CB LYS A 58 -5.751 -11.720 8.446 1.00 0.00 C ATOM 812 CG LYS A 58 -6.753 -11.427 9.550 1.00 0.00 C ATOM 813 CD LYS A 58 -8.169 -11.332 9.007 1.00 0.00 C ATOM 814 CE LYS A 58 -9.035 -10.423 9.866 1.00 0.00 C ATOM 815 NZ LYS A 58 -10.487 -10.678 9.655 1.00 0.00 N ATOM 0 H LYS A 58 -3.807 -11.474 6.954 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.108 -11.106 9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.785 -10.914 7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.048 -12.633 7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.704 -12.212 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.488 -10.492 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.143 -10.953 7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.612 -12.327 8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.789 -10.574 10.917 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.812 -9.382 9.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.043 -10.039 10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.728 -10.509 8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.706 -11.664 9.902 1.00 0.00 H new ATOM 829 N ASP A 59 -3.825 -14.248 8.799 1.00 0.00 N ATOM 830 CA ASP A 59 -3.630 -15.602 9.305 1.00 0.00 C ATOM 831 C ASP A 59 -2.510 -15.639 10.340 1.00 0.00 C ATOM 832 O ASP A 59 -2.725 -16.026 11.489 1.00 0.00 O ATOM 833 CB ASP A 59 -3.309 -16.558 8.154 1.00 0.00 C ATOM 834 CG ASP A 59 -4.486 -16.754 7.219 1.00 0.00 C ATOM 835 OD1 ASP A 59 -5.498 -17.342 7.654 1.00 0.00 O ATOM 836 OD2 ASP A 59 -4.395 -16.318 6.053 1.00 0.00 O ATOM 0 H ASP A 59 -3.698 -14.152 7.792 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.555 -15.921 9.785 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.461 -16.171 7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.007 -17.523 8.561 1.00 0.00 H new ATOM 841 N LYS A 60 -1.314 -15.235 9.926 1.00 0.00 N ATOM 842 CA LYS A 60 -0.160 -15.221 10.817 1.00 0.00 C ATOM 843 C LYS A 60 0.250 -13.791 11.154 1.00 0.00 C ATOM 844 O LYS A 60 0.407 -12.953 10.265 1.00 0.00 O ATOM 845 CB LYS A 60 1.015 -15.961 10.174 1.00 0.00 C ATOM 846 CG LYS A 60 0.713 -17.414 9.847 1.00 0.00 C ATOM 847 CD LYS A 60 0.693 -18.275 11.099 1.00 0.00 C ATOM 848 CE LYS A 60 2.070 -18.846 11.404 1.00 0.00 C ATOM 849 NZ LYS A 60 2.055 -19.708 12.618 1.00 0.00 N ATOM 0 H LYS A 60 -1.118 -14.913 8.978 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.439 -15.728 11.741 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.302 -15.443 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.872 -15.919 10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.251 -17.482 9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.463 -17.795 9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.349 -17.681 11.945 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.020 -19.090 10.971 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.420 -19.427 10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.778 -18.030 11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.011 -20.078 12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.745 -19.148 13.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.398 -20.501 12.473 1.00 0.00 H new ATOM 863 N LYS A 61 0.423 -13.518 12.443 1.00 0.00 N ATOM 864 CA LYS A 61 0.818 -12.191 12.898 1.00 0.00 C ATOM 865 C LYS A 61 2.329 -12.007 12.795 1.00 0.00 C ATOM 866 O LYS A 61 2.822 -10.882 12.712 1.00 0.00 O ATOM 867 CB LYS A 61 0.364 -11.968 14.342 1.00 0.00 C ATOM 868 CG LYS A 61 -1.024 -11.362 14.457 1.00 0.00 C ATOM 869 CD LYS A 61 -2.105 -12.376 14.120 1.00 0.00 C ATOM 870 CE LYS A 61 -2.395 -13.294 15.298 1.00 0.00 C ATOM 871 NZ LYS A 61 -3.687 -14.016 15.133 1.00 0.00 N ATOM 0 H LYS A 61 0.296 -14.199 13.191 1.00 0.00 H new ATOM 0 HA LYS A 61 0.336 -11.456 12.254 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.380 -12.921 14.870 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.079 -11.315 14.842 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.176 -10.989 15.470 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.105 -10.506 13.787 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.017 -11.854 13.831 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.792 -12.971 13.262 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.586 -14.017 15.403 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.421 -12.709 16.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.849 -14.631 15.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.463 -13.327 15.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.653 -14.595 14.270 1.00 0.00 H new ATOM 885 N ASP A 62 3.057 -13.118 12.799 1.00 0.00 N ATOM 886 CA ASP A 62 4.511 -13.079 12.704 1.00 0.00 C ATOM 887 C ASP A 62 4.961 -13.102 11.246 1.00 0.00 C ATOM 888 O ASP A 62 5.505 -12.121 10.739 1.00 0.00 O ATOM 889 CB ASP A 62 5.125 -14.260 13.458 1.00 0.00 C ATOM 890 CG ASP A 62 4.846 -14.204 14.947 1.00 0.00 C ATOM 891 OD1 ASP A 62 3.667 -14.340 15.335 1.00 0.00 O ATOM 892 OD2 ASP A 62 5.806 -14.023 15.725 1.00 0.00 O ATOM 0 H ASP A 62 2.664 -14.057 12.867 1.00 0.00 H new ATOM 0 HA ASP A 62 4.855 -12.150 13.158 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.730 -15.191 13.052 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.202 -14.272 13.293 1.00 0.00 H new ATOM 897 N SER A 63 4.731 -14.228 10.579 1.00 0.00 N ATOM 898 CA SER A 63 5.117 -14.380 9.181 1.00 0.00 C ATOM 899 C SER A 63 5.031 -13.046 8.445 1.00 0.00 C ATOM 900 O SER A 63 3.972 -12.640 7.966 1.00 0.00 O ATOM 901 CB SER A 63 4.224 -15.414 8.493 1.00 0.00 C ATOM 902 OG SER A 63 4.371 -16.691 9.088 1.00 0.00 O ATOM 0 H SER A 63 4.279 -15.048 10.984 1.00 0.00 H new ATOM 0 HA SER A 63 6.150 -14.725 9.151 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.183 -15.098 8.555 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.477 -15.471 7.434 1.00 0.00 H new ATOM 0 HG SER A 63 3.789 -17.334 8.632 1.00 0.00 H new ATOM 908 N PRO A 64 6.172 -12.347 8.353 1.00 0.00 N ATOM 909 CA PRO A 64 6.253 -11.049 7.677 1.00 0.00 C ATOM 910 C PRO A 64 6.091 -11.171 6.166 1.00 0.00 C ATOM 911 O PRO A 64 5.888 -12.266 5.640 1.00 0.00 O ATOM 912 CB PRO A 64 7.659 -10.554 8.026 1.00 0.00 C ATOM 913 CG PRO A 64 8.440 -11.793 8.296 1.00 0.00 C ATOM 914 CD PRO A 64 7.471 -12.771 8.901 1.00 0.00 C ATOM 0 HA PRO A 64 5.458 -10.374 7.994 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.093 -9.983 7.205 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.643 -9.898 8.897 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.872 -12.190 7.377 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.267 -11.592 8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.709 -13.797 8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.482 -12.726 9.990 1.00 0.00 H new ATOM 922 N VAL A 65 6.182 -10.041 5.472 1.00 0.00 N ATOM 923 CA VAL A 65 6.047 -10.022 4.021 1.00 0.00 C ATOM 924 C VAL A 65 7.091 -9.111 3.384 1.00 0.00 C ATOM 925 O VAL A 65 7.480 -8.097 3.963 1.00 0.00 O ATOM 926 CB VAL A 65 4.644 -9.554 3.593 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.536 -9.503 2.077 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.577 -10.464 4.182 1.00 0.00 C ATOM 0 H VAL A 65 6.349 -9.127 5.892 1.00 0.00 H new ATOM 0 HA VAL A 65 6.201 -11.044 3.676 1.00 0.00 H new ATOM 0 HB VAL A 65 4.483 -8.547 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.537 -9.170 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.276 -8.806 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.717 -10.496 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.591 -10.119 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.733 -11.483 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.641 -10.443 5.270 1.00 0.00 H new ATOM 938 N ARG A 66 7.539 -9.479 2.188 1.00 0.00 N ATOM 939 CA ARG A 66 8.539 -8.696 1.472 1.00 0.00 C ATOM 940 C ARG A 66 7.879 -7.585 0.660 1.00 0.00 C ATOM 941 O ARG A 66 6.997 -7.841 -0.161 1.00 0.00 O ATOM 942 CB ARG A 66 9.361 -9.598 0.550 1.00 0.00 C ATOM 943 CG ARG A 66 10.412 -10.418 1.280 1.00 0.00 C ATOM 944 CD ARG A 66 11.484 -10.924 0.327 1.00 0.00 C ATOM 945 NE ARG A 66 12.253 -12.024 0.902 1.00 0.00 N ATOM 946 CZ ARG A 66 13.394 -12.470 0.389 1.00 0.00 C ATOM 947 NH1 ARG A 66 13.896 -11.913 -0.704 1.00 0.00 N ATOM 948 NH2 ARG A 66 14.036 -13.475 0.971 1.00 0.00 N ATOM 0 H ARG A 66 7.225 -10.315 1.694 1.00 0.00 H new ATOM 0 HA ARG A 66 9.202 -8.241 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.688 -10.273 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.852 -8.982 -0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.873 -9.810 2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.936 -11.264 1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.017 -11.254 -0.601 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.157 -10.106 0.072 1.00 0.00 H new ATOM 0 HE ARG A 66 11.894 -12.475 1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.406 -11.140 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.772 -12.258 -1.096 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.653 -13.905 1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.912 -13.817 0.577 1.00 0.00 H new ATOM 962 N THR A 67 8.312 -6.350 0.894 1.00 0.00 N ATOM 963 CA THR A 67 7.763 -5.201 0.185 1.00 0.00 C ATOM 964 C THR A 67 8.866 -4.388 -0.481 1.00 0.00 C ATOM 965 O THR A 67 10.052 -4.628 -0.254 1.00 0.00 O ATOM 966 CB THR A 67 6.967 -4.285 1.133 1.00 0.00 C ATOM 967 OG1 THR A 67 7.676 -4.120 2.366 1.00 0.00 O ATOM 968 CG2 THR A 67 5.586 -4.861 1.410 1.00 0.00 C ATOM 0 H THR A 67 9.041 -6.120 1.569 1.00 0.00 H new ATOM 0 HA THR A 67 7.092 -5.592 -0.580 1.00 0.00 H new ATOM 0 HB THR A 67 6.849 -3.315 0.650 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.164 -3.535 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.043 -4.197 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.037 -4.957 0.473 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.687 -5.842 1.874 1.00 0.00 H new ATOM 976 N MET A 68 8.469 -3.423 -1.305 1.00 0.00 N ATOM 977 CA MET A 68 9.426 -2.573 -2.004 1.00 0.00 C ATOM 978 C MET A 68 8.972 -1.116 -1.986 1.00 0.00 C ATOM 979 O MET A 68 7.801 -0.818 -2.216 1.00 0.00 O ATOM 980 CB MET A 68 9.603 -3.047 -3.447 1.00 0.00 C ATOM 981 CG MET A 68 10.985 -2.766 -4.014 1.00 0.00 C ATOM 982 SD MET A 68 11.108 -1.132 -4.767 1.00 0.00 S ATOM 983 CE MET A 68 12.785 -1.174 -5.395 1.00 0.00 C ATOM 0 H MET A 68 7.492 -3.210 -1.505 1.00 0.00 H new ATOM 0 HA MET A 68 10.383 -2.644 -1.487 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.411 -4.119 -3.495 1.00 0.00 H new ATOM 0 HB3 MET A 68 8.856 -2.561 -4.075 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.724 -2.851 -3.218 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.229 -3.524 -4.758 1.00 0.00 H new ATOM 0 HE1 MET A 68 13.012 -0.230 -5.890 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.479 -1.326 -4.569 1.00 0.00 H new ATOM 0 HE3 MET A 68 12.886 -1.991 -6.109 1.00 0.00 H new ATOM 993 N VAL A 69 9.908 -0.213 -1.711 1.00 0.00 N ATOM 994 CA VAL A 69 9.605 1.212 -1.665 1.00 0.00 C ATOM 995 C VAL A 69 10.619 2.017 -2.470 1.00 0.00 C ATOM 996 O VAL A 69 11.742 2.244 -2.022 1.00 0.00 O ATOM 997 CB VAL A 69 9.586 1.735 -0.216 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.929 1.496 0.456 1.00 0.00 C ATOM 999 CG2 VAL A 69 9.221 3.212 -0.188 1.00 0.00 C ATOM 0 H VAL A 69 10.882 -0.443 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 69 8.615 1.339 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 69 8.826 1.186 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.896 1.872 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.144 0.428 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.710 2.017 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.212 3.565 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.956 3.779 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.233 3.351 -0.628 1.00 0.00 H new ATOM 1009 N GLN A 70 10.214 2.445 -3.662 1.00 0.00 N ATOM 1010 CA GLN A 70 11.088 3.224 -4.530 1.00 0.00 C ATOM 1011 C GLN A 70 10.752 4.710 -4.449 1.00 0.00 C ATOM 1012 O GLN A 70 9.826 5.184 -5.108 1.00 0.00 O ATOM 1013 CB GLN A 70 10.969 2.740 -5.976 1.00 0.00 C ATOM 1014 CG GLN A 70 12.240 2.928 -6.787 1.00 0.00 C ATOM 1015 CD GLN A 70 12.171 2.256 -8.145 1.00 0.00 C ATOM 1016 OE1 GLN A 70 11.197 2.416 -8.881 1.00 0.00 O ATOM 1017 NE2 GLN A 70 13.208 1.498 -8.483 1.00 0.00 N ATOM 0 H GLN A 70 9.287 2.265 -4.048 1.00 0.00 H new ATOM 0 HA GLN A 70 12.114 3.083 -4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.701 1.683 -5.976 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.154 3.275 -6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.426 3.993 -6.922 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.085 2.525 -6.229 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.994 1.394 -7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.218 1.020 -9.384 1.00 0.00 H new ATOM 1026 N ASP A 71 11.509 5.439 -3.637 1.00 0.00 N ATOM 1027 CA ASP A 71 11.292 6.872 -3.471 1.00 0.00 C ATOM 1028 C ASP A 71 11.556 7.617 -4.775 1.00 0.00 C ATOM 1029 O ASP A 71 12.618 7.472 -5.380 1.00 0.00 O ATOM 1030 CB ASP A 71 12.194 7.420 -2.364 1.00 0.00 C ATOM 1031 CG ASP A 71 13.664 7.355 -2.729 1.00 0.00 C ATOM 1032 OD1 ASP A 71 14.171 6.235 -2.945 1.00 0.00 O ATOM 1033 OD2 ASP A 71 14.307 8.423 -2.797 1.00 0.00 O ATOM 0 H ASP A 71 12.278 5.062 -3.083 1.00 0.00 H new ATOM 0 HA ASP A 71 10.250 7.027 -3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.920 8.454 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.025 6.854 -1.448 1.00 0.00 H new ATOM 1038 N ASN A 72 10.583 8.413 -5.204 1.00 0.00 N ATOM 1039 CA ASN A 72 10.709 9.180 -6.438 1.00 0.00 C ATOM 1040 C ASN A 72 10.776 10.676 -6.144 1.00 0.00 C ATOM 1041 O ASN A 72 11.483 11.422 -6.821 1.00 0.00 O ATOM 1042 CB ASN A 72 9.533 8.883 -7.370 1.00 0.00 C ATOM 1043 CG ASN A 72 9.518 7.442 -7.841 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.220 7.079 -8.785 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.715 6.613 -7.184 1.00 0.00 N ATOM 0 H ASN A 72 9.697 8.544 -4.715 1.00 0.00 H new ATOM 0 HA ASN A 72 11.636 8.883 -6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.599 9.103 -6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.582 9.545 -8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.662 5.631 -7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.151 6.958 -6.407 1.00 0.00 H new ATOM 1052 N LYS A 73 10.033 11.108 -5.131 1.00 0.00 N ATOM 1053 CA LYS A 73 10.008 12.514 -4.745 1.00 0.00 C ATOM 1054 C LYS A 73 9.511 13.384 -5.894 1.00 0.00 C ATOM 1055 O LYS A 73 10.053 14.459 -6.151 1.00 0.00 O ATOM 1056 CB LYS A 73 11.403 12.970 -4.312 1.00 0.00 C ATOM 1057 CG LYS A 73 11.942 12.220 -3.106 1.00 0.00 C ATOM 1058 CD LYS A 73 11.270 12.674 -1.821 1.00 0.00 C ATOM 1059 CE LYS A 73 11.997 13.856 -1.199 1.00 0.00 C ATOM 1060 NZ LYS A 73 11.513 15.155 -1.743 1.00 0.00 N ATOM 0 H LYS A 73 9.440 10.504 -4.562 1.00 0.00 H new ATOM 0 HA LYS A 73 9.320 12.623 -3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.093 12.843 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.373 14.035 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.785 11.150 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.018 12.377 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.236 12.950 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.244 11.847 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.857 13.840 -0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.067 13.762 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.276 15.612 -2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.699 14.988 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.225 15.774 -0.959 1.00 0.00 H new ATOM 1074 N ASP A 74 8.476 12.914 -6.581 1.00 0.00 N ATOM 1075 CA ASP A 74 7.903 13.651 -7.702 1.00 0.00 C ATOM 1076 C ASP A 74 6.389 13.767 -7.560 1.00 0.00 C ATOM 1077 O ASP A 74 5.660 13.756 -8.551 1.00 0.00 O ATOM 1078 CB ASP A 74 8.253 12.966 -9.023 1.00 0.00 C ATOM 1079 CG ASP A 74 7.948 13.836 -10.226 1.00 0.00 C ATOM 1080 OD1 ASP A 74 8.090 15.072 -10.116 1.00 0.00 O ATOM 1081 OD2 ASP A 74 7.568 13.282 -11.278 1.00 0.00 O ATOM 0 H ASP A 74 8.016 12.026 -6.382 1.00 0.00 H new ATOM 0 HA ASP A 74 8.328 14.655 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.312 12.707 -9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.696 12.032 -9.103 1.00 0.00 H new ATOM 1086 N GLY A 75 5.922 13.876 -6.320 1.00 0.00 N ATOM 1087 CA GLY A 75 4.497 13.990 -6.070 1.00 0.00 C ATOM 1088 C GLY A 75 3.852 12.651 -5.772 1.00 0.00 C ATOM 1089 O GLY A 75 2.871 12.577 -5.031 1.00 0.00 O ATOM 0 H GLY A 75 6.506 13.887 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.331 14.665 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.014 14.438 -6.938 1.00 0.00 H new ATOM 1093 N THR A 76 4.401 11.588 -6.352 1.00 0.00 N ATOM 1094 CA THR A 76 3.872 10.246 -6.147 1.00 0.00 C ATOM 1095 C THR A 76 4.972 9.279 -5.727 1.00 0.00 C ATOM 1096 O THR A 76 6.156 9.617 -5.761 1.00 0.00 O ATOM 1097 CB THR A 76 3.191 9.710 -7.421 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.117 9.722 -8.513 1.00 0.00 O ATOM 1099 CG2 THR A 76 1.971 10.546 -7.775 1.00 0.00 C ATOM 0 H THR A 76 5.213 11.631 -6.968 1.00 0.00 H new ATOM 0 HA THR A 76 3.132 10.317 -5.350 1.00 0.00 H new ATOM 0 HB THR A 76 2.867 8.687 -7.231 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.677 9.378 -9.319 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.507 10.149 -8.678 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.255 10.511 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.275 11.578 -7.948 1.00 0.00 H new ATOM 1107 N TYR A 77 4.575 8.074 -5.333 1.00 0.00 N ATOM 1108 CA TYR A 77 5.529 7.058 -4.904 1.00 0.00 C ATOM 1109 C TYR A 77 5.274 5.735 -5.621 1.00 0.00 C ATOM 1110 O TYR A 77 4.246 5.558 -6.276 1.00 0.00 O ATOM 1111 CB TYR A 77 5.445 6.855 -3.391 1.00 0.00 C ATOM 1112 CG TYR A 77 6.173 7.915 -2.596 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.567 9.132 -2.306 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.466 7.701 -2.136 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.229 10.104 -1.581 1.00 0.00 C ATOM 1116 CE2 TYR A 77 8.134 8.667 -1.409 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.512 9.866 -1.134 1.00 0.00 C ATOM 1118 OH TYR A 77 8.175 10.832 -0.411 1.00 0.00 O ATOM 0 H TYR A 77 3.600 7.777 -5.302 1.00 0.00 H new ATOM 0 HA TYR A 77 6.530 7.404 -5.162 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.397 6.845 -3.092 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.858 5.878 -3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.562 9.321 -2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.957 6.763 -2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.745 11.045 -1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.139 8.484 -1.058 1.00 0.00 H new ATOM 0 HH TYR A 77 7.592 11.611 -0.293 1.00 0.00 H new ATOM 1128 N TYR A 78 6.217 4.809 -5.492 1.00 0.00 N ATOM 1129 CA TYR A 78 6.098 3.502 -6.128 1.00 0.00 C ATOM 1130 C TYR A 78 6.227 2.382 -5.100 1.00 0.00 C ATOM 1131 O TYR A 78 7.324 2.082 -4.628 1.00 0.00 O ATOM 1132 CB TYR A 78 7.164 3.340 -7.213 1.00 0.00 C ATOM 1133 CG TYR A 78 6.824 2.287 -8.243 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.606 2.309 -8.912 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.719 1.269 -8.547 1.00 0.00 C ATOM 1136 CE1 TYR A 78 5.291 1.349 -9.854 1.00 0.00 C ATOM 1137 CE2 TYR A 78 7.413 0.306 -9.489 1.00 0.00 C ATOM 1138 CZ TYR A 78 6.198 0.350 -10.139 1.00 0.00 C ATOM 1139 OH TYR A 78 5.888 -0.609 -11.076 1.00 0.00 O ATOM 0 H TYR A 78 7.073 4.939 -4.953 1.00 0.00 H new ATOM 0 HA TYR A 78 5.111 3.438 -6.586 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.306 4.296 -7.717 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.113 3.083 -6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.893 3.090 -8.692 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.671 1.230 -8.038 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.340 1.381 -10.364 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.122 -0.477 -9.715 1.00 0.00 H new ATOM 0 HH TYR A 78 6.634 -1.239 -11.159 1.00 0.00 H new ATOM 1149 N ILE A 79 5.100 1.767 -4.759 1.00 0.00 N ATOM 1150 CA ILE A 79 5.087 0.679 -3.790 1.00 0.00 C ATOM 1151 C ILE A 79 4.710 -0.642 -4.451 1.00 0.00 C ATOM 1152 O ILE A 79 3.867 -0.681 -5.347 1.00 0.00 O ATOM 1153 CB ILE A 79 4.104 0.963 -2.638 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.511 2.235 -1.893 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.048 -0.221 -1.685 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.351 2.945 -1.230 1.00 0.00 C ATOM 0 H ILE A 79 4.184 2.004 -5.140 1.00 0.00 H new ATOM 0 HA ILE A 79 6.097 0.605 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 79 3.109 1.113 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.252 1.981 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.992 2.918 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.349 -0.005 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.715 -1.107 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.039 -0.401 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.714 3.838 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.619 3.230 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.883 2.279 -0.505 1.00 0.00 H new ATOM 1168 N SER A 80 5.339 -1.723 -4.001 1.00 0.00 N ATOM 1169 CA SER A 80 5.071 -3.047 -4.551 1.00 0.00 C ATOM 1170 C SER A 80 5.266 -4.126 -3.489 1.00 0.00 C ATOM 1171 O SER A 80 6.171 -4.039 -2.659 1.00 0.00 O ATOM 1172 CB SER A 80 5.985 -3.321 -5.746 1.00 0.00 C ATOM 1173 OG SER A 80 7.277 -3.718 -5.320 1.00 0.00 O ATOM 0 H SER A 80 6.037 -1.708 -3.258 1.00 0.00 H new ATOM 0 HA SER A 80 4.033 -3.072 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.549 -4.101 -6.370 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.061 -2.425 -6.362 1.00 0.00 H new ATOM 0 HG SER A 80 7.841 -3.889 -6.103 1.00 0.00 H new ATOM 1179 N TYR A 81 4.410 -5.141 -3.522 1.00 0.00 N ATOM 1180 CA TYR A 81 4.486 -6.236 -2.562 1.00 0.00 C ATOM 1181 C TYR A 81 4.142 -7.566 -3.225 1.00 0.00 C ATOM 1182 O TYR A 81 3.231 -7.646 -4.050 1.00 0.00 O ATOM 1183 CB TYR A 81 3.540 -5.979 -1.388 1.00 0.00 C ATOM 1184 CG TYR A 81 2.078 -6.138 -1.742 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.499 -7.397 -1.838 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.277 -5.029 -1.983 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.165 -7.547 -2.161 1.00 0.00 C ATOM 1188 CE2 TYR A 81 -0.059 -5.169 -2.306 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.610 -6.431 -2.394 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.940 -6.575 -2.717 1.00 0.00 O ATOM 0 H TYR A 81 3.656 -5.228 -4.203 1.00 0.00 H new ATOM 0 HA TYR A 81 5.509 -6.290 -2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.786 -6.665 -0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.707 -4.969 -1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.103 -8.274 -1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.706 -4.040 -1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.269 -8.533 -2.231 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.668 -4.296 -2.488 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.342 -5.691 -2.848 1.00 0.00 H new ATOM 1200 N THR A 82 4.878 -8.611 -2.857 1.00 0.00 N ATOM 1201 CA THR A 82 4.653 -9.938 -3.415 1.00 0.00 C ATOM 1202 C THR A 82 4.406 -10.963 -2.313 1.00 0.00 C ATOM 1203 O THR A 82 5.301 -11.309 -1.542 1.00 0.00 O ATOM 1204 CB THR A 82 5.849 -10.399 -4.270 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.186 -9.387 -5.225 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.529 -11.699 -4.992 1.00 0.00 C ATOM 0 H THR A 82 5.635 -8.563 -2.175 1.00 0.00 H new ATOM 0 HA THR A 82 3.769 -9.868 -4.048 1.00 0.00 H new ATOM 0 HB THR A 82 6.697 -10.570 -3.607 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.948 -9.686 -5.764 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.388 -12.005 -5.589 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.301 -12.475 -4.261 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.668 -11.551 -5.644 1.00 0.00 H new ATOM 1214 N PRO A 83 3.163 -11.462 -2.236 1.00 0.00 N ATOM 1215 CA PRO A 83 2.771 -12.456 -1.232 1.00 0.00 C ATOM 1216 C PRO A 83 3.407 -13.818 -1.485 1.00 0.00 C ATOM 1217 O PRO A 83 3.562 -14.239 -2.632 1.00 0.00 O ATOM 1218 CB PRO A 83 1.250 -12.538 -1.391 1.00 0.00 C ATOM 1219 CG PRO A 83 0.993 -12.117 -2.797 1.00 0.00 C ATOM 1220 CD PRO A 83 2.046 -11.095 -3.122 1.00 0.00 C ATOM 0 HA PRO A 83 3.095 -12.174 -0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.887 -13.549 -1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.742 -11.884 -0.683 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.052 -12.968 -3.476 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.006 -11.694 -2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.336 -11.137 -4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.696 -10.081 -2.928 1.00 0.00 H new ATOM 1228 N LYS A 84 3.775 -14.503 -0.408 1.00 0.00 N ATOM 1229 CA LYS A 84 4.393 -15.819 -0.512 1.00 0.00 C ATOM 1230 C LYS A 84 3.351 -16.924 -0.363 1.00 0.00 C ATOM 1231 O LYS A 84 3.519 -18.022 -0.892 1.00 0.00 O ATOM 1232 CB LYS A 84 5.479 -15.981 0.554 1.00 0.00 C ATOM 1233 CG LYS A 84 4.935 -16.055 1.970 1.00 0.00 C ATOM 1234 CD LYS A 84 5.816 -16.912 2.863 1.00 0.00 C ATOM 1235 CE LYS A 84 7.190 -16.288 3.055 1.00 0.00 C ATOM 1236 NZ LYS A 84 8.156 -16.741 2.016 1.00 0.00 N ATOM 0 H LYS A 84 3.656 -14.168 0.548 1.00 0.00 H new ATOM 0 HA LYS A 84 4.846 -15.902 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.049 -16.886 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.173 -15.144 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.863 -15.050 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.925 -16.466 1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.336 -17.042 3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.924 -17.904 2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.103 -15.202 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.571 -16.547 4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.119 -16.727 2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.917 -17.708 1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.107 -16.104 1.195 1.00 0.00 H new ATOM 1250 N GLU A 85 2.276 -16.623 0.359 1.00 0.00 N ATOM 1251 CA GLU A 85 1.207 -17.592 0.576 1.00 0.00 C ATOM 1252 C GLU A 85 -0.160 -16.949 0.364 1.00 0.00 C ATOM 1253 O GLU A 85 -0.361 -15.761 0.617 1.00 0.00 O ATOM 1254 CB GLU A 85 1.296 -18.175 1.987 1.00 0.00 C ATOM 1255 CG GLU A 85 2.523 -19.044 2.211 1.00 0.00 C ATOM 1256 CD GLU A 85 2.283 -20.496 1.845 1.00 0.00 C ATOM 1257 OE1 GLU A 85 1.998 -20.770 0.661 1.00 0.00 O ATOM 1258 OE2 GLU A 85 2.381 -21.358 2.743 1.00 0.00 O ATOM 0 H GLU A 85 2.122 -15.718 0.803 1.00 0.00 H new ATOM 0 HA GLU A 85 1.327 -18.397 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.303 -17.358 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.402 -18.766 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.352 -18.656 1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.822 -18.981 3.257 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.124 -17.752 -0.111 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.489 -17.284 -0.367 1.00 0.00 C ATOM 1267 C PRO A 86 -3.247 -16.973 0.920 1.00 0.00 C ATOM 1268 O PRO A 86 -2.897 -17.466 1.991 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.137 -18.462 -1.097 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.364 -19.655 -0.651 1.00 0.00 C ATOM 1271 CD PRO A 86 -0.955 -19.178 -0.434 1.00 0.00 C ATOM 0 HA PRO A 86 -2.501 -16.354 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.192 -18.555 -0.840 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.082 -18.336 -2.178 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.781 -20.070 0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.397 -20.445 -1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.468 -19.719 0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.342 -19.319 -1.324 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.287 -16.152 0.806 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.077 -15.791 1.968 1.00 0.00 C ATOM 1281 C GLY A 87 -5.312 -14.296 2.067 1.00 0.00 C ATOM 1282 O GLY A 87 -4.956 -13.543 1.161 1.00 0.00 O ATOM 0 H GLY A 87 -4.596 -15.731 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.037 -16.305 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.571 -16.137 2.869 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.914 -13.866 3.171 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.197 -12.452 3.386 1.00 0.00 C ATOM 1288 C VAL A 88 -5.020 -11.751 4.056 1.00 0.00 C ATOM 1289 O VAL A 88 -4.408 -12.289 4.979 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.456 -12.256 4.250 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.308 -12.977 5.581 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.730 -10.775 4.464 1.00 0.00 C ATOM 0 H VAL A 88 -6.215 -14.477 3.930 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.368 -12.011 2.404 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.307 -12.687 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.208 -12.827 6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.164 -14.043 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.446 -12.579 6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.623 -10.655 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.880 -10.317 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.884 -10.290 3.500 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.708 -10.549 3.585 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.603 -9.775 4.137 1.00 0.00 C ATOM 1304 C TYR A 89 -4.060 -8.372 4.523 1.00 0.00 C ATOM 1305 O TYR A 89 -5.163 -7.947 4.178 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.458 -9.690 3.127 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.675 -10.976 2.989 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.262 -12.117 2.455 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.347 -11.051 3.392 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.551 -13.294 2.329 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.373 -12.224 3.268 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.234 -13.342 2.736 1.00 0.00 C ATOM 1313 OH TYR A 89 0.479 -14.513 2.610 1.00 0.00 O ATOM 0 H TYR A 89 -5.205 -10.089 2.822 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.250 -10.283 5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.863 -9.415 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.779 -8.892 3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.292 -12.082 2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.131 -10.177 3.809 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.023 -14.172 1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.404 -12.265 3.586 1.00 0.00 H new ATOM 0 HH TYR A 89 0.463 -14.807 1.675 1.00 0.00 H new ATOM 1323 N THR A 90 -3.203 -7.654 5.243 1.00 0.00 N ATOM 1324 CA THR A 90 -3.516 -6.299 5.678 1.00 0.00 C ATOM 1325 C THR A 90 -2.391 -5.334 5.324 1.00 0.00 C ATOM 1326 O THR A 90 -1.319 -5.365 5.929 1.00 0.00 O ATOM 1327 CB THR A 90 -3.769 -6.241 7.197 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.711 -7.251 7.575 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.293 -4.873 7.606 1.00 0.00 C ATOM 0 H THR A 90 -2.286 -7.989 5.537 1.00 0.00 H new ATOM 0 HA THR A 90 -4.424 -6.001 5.154 1.00 0.00 H new ATOM 0 HB THR A 90 -2.823 -6.418 7.708 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.865 -7.209 8.542 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.464 -4.856 8.682 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.561 -4.109 7.343 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.230 -4.672 7.086 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.642 -4.475 4.341 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.650 -3.498 3.908 1.00 0.00 C ATOM 1339 C VAL A 91 -1.656 -2.270 4.812 1.00 0.00 C ATOM 1340 O VAL A 91 -2.669 -1.580 4.930 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.897 -3.054 2.454 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.844 -2.048 2.017 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.915 -4.258 1.525 1.00 0.00 C ATOM 0 H VAL A 91 -3.524 -4.436 3.830 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.677 -3.986 3.970 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.872 -2.569 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.035 -1.746 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.885 -1.173 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.144 -2.503 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.091 -3.926 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.956 -4.774 1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.711 -4.939 1.827 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.521 -2.004 5.446 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.395 -0.858 6.340 1.00 0.00 C ATOM 1355 C TRP A 92 0.292 0.308 5.637 1.00 0.00 C ATOM 1356 O TRP A 92 1.487 0.253 5.347 1.00 0.00 O ATOM 1357 CB TRP A 92 0.388 -1.247 7.595 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.414 -2.055 8.569 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.266 -3.082 8.277 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.441 -1.901 9.992 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.820 -3.576 9.433 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.330 -2.870 10.499 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.201 -1.042 10.888 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.592 -2.999 11.860 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 -0.060 -1.172 12.239 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.950 -2.145 12.715 1.00 0.00 C ATOM 0 H TRP A 92 0.326 -2.566 5.358 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.397 -0.543 6.630 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.271 -1.816 7.302 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.741 -0.342 8.089 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.474 -3.451 7.284 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.488 -4.345 9.488 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.889 -0.290 10.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.278 -3.747 12.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.430 -0.513 12.940 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.132 -2.222 13.777 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.470 1.363 5.366 1.00 0.00 N ATOM 1378 CA VAL A 93 0.067 2.542 4.698 1.00 0.00 C ATOM 1379 C VAL A 93 -0.181 3.801 5.522 1.00 0.00 C ATOM 1380 O VAL A 93 -1.303 4.306 5.581 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.553 2.727 3.301 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.020 3.990 2.642 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.281 1.508 2.432 1.00 0.00 C ATOM 0 H VAL A 93 -1.461 1.425 5.599 1.00 0.00 H new ATOM 0 HA VAL A 93 1.140 2.385 4.593 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.632 2.832 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.470 4.103 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.271 4.855 3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.063 3.918 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.726 1.656 1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.795 1.369 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.717 0.624 2.898 1.00 0.00 H new ATOM 1393 N CYS A 94 0.873 4.302 6.157 1.00 0.00 N ATOM 1394 CA CYS A 94 0.770 5.503 6.979 1.00 0.00 C ATOM 1395 C CYS A 94 1.869 6.499 6.626 1.00 0.00 C ATOM 1396 O CYS A 94 3.019 6.117 6.407 1.00 0.00 O ATOM 1397 CB CYS A 94 0.851 5.139 8.462 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.401 3.951 9.000 1.00 0.00 S ATOM 0 H CYS A 94 1.808 3.896 6.119 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.195 5.969 6.779 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.839 4.729 8.671 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.752 6.049 9.054 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.249 3.705 10.267 1.00 0.00 H new ATOM 1404 N ILE A 95 1.508 7.777 6.572 1.00 0.00 N ATOM 1405 CA ILE A 95 2.464 8.827 6.245 1.00 0.00 C ATOM 1406 C ILE A 95 2.657 9.780 7.420 1.00 0.00 C ATOM 1407 O ILE A 95 1.706 10.404 7.891 1.00 0.00 O ATOM 1408 CB ILE A 95 2.014 9.635 5.013 1.00 0.00 C ATOM 1409 CG1 ILE A 95 1.975 8.737 3.774 1.00 0.00 C ATOM 1410 CG2 ILE A 95 2.943 10.818 4.787 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.335 9.394 2.572 1.00 0.00 C ATOM 0 H ILE A 95 0.560 8.110 6.751 1.00 0.00 H new ATOM 0 HA ILE A 95 3.410 8.334 6.020 1.00 0.00 H new ATOM 0 HB ILE A 95 1.009 10.017 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.992 8.441 3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.428 7.825 4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.612 11.379 3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.925 11.467 5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.958 10.457 4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.342 8.700 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.307 9.665 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.895 10.291 2.307 1.00 0.00 H new ATOM 1423 N LYS A 96 3.896 9.888 7.889 1.00 0.00 N ATOM 1424 CA LYS A 96 4.216 10.767 9.007 1.00 0.00 C ATOM 1425 C LYS A 96 3.494 10.321 10.275 1.00 0.00 C ATOM 1426 O LYS A 96 2.905 11.136 10.983 1.00 0.00 O ATOM 1427 CB LYS A 96 3.837 12.212 8.673 1.00 0.00 C ATOM 1428 CG LYS A 96 4.623 12.794 7.511 1.00 0.00 C ATOM 1429 CD LYS A 96 3.910 13.987 6.897 1.00 0.00 C ATOM 1430 CE LYS A 96 4.285 15.282 7.600 1.00 0.00 C ATOM 1431 NZ LYS A 96 5.669 15.717 7.261 1.00 0.00 N ATOM 0 H LYS A 96 4.695 9.378 7.512 1.00 0.00 H new ATOM 0 HA LYS A 96 5.290 10.711 9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.773 12.255 8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.995 12.833 9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.612 13.098 7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.772 12.027 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.164 14.059 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.832 13.838 6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.580 16.064 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.201 15.147 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.795 16.714 7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.354 15.131 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.826 15.610 6.238 1.00 0.00 H new ATOM 1445 N GLU A 97 3.546 9.022 10.554 1.00 0.00 N ATOM 1446 CA GLU A 97 2.896 8.470 11.737 1.00 0.00 C ATOM 1447 C GLU A 97 1.389 8.704 11.690 1.00 0.00 C ATOM 1448 O GLU A 97 0.775 9.061 12.695 1.00 0.00 O ATOM 1449 CB GLU A 97 3.481 9.093 13.005 1.00 0.00 C ATOM 1450 CG GLU A 97 4.921 8.690 13.274 1.00 0.00 C ATOM 1451 CD GLU A 97 5.530 9.443 14.441 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.152 10.613 14.655 1.00 0.00 O ATOM 1453 OE2 GLU A 97 6.386 8.860 15.140 1.00 0.00 O ATOM 0 H GLU A 97 4.031 8.334 9.978 1.00 0.00 H new ATOM 0 HA GLU A 97 3.078 7.395 11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.426 10.179 12.925 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.867 8.805 13.858 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.963 7.620 13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.518 8.870 12.380 1.00 0.00 H new ATOM 1460 N GLN A 98 0.801 8.502 10.515 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.633 8.693 10.336 1.00 0.00 C ATOM 1462 C GLN A 98 -1.174 7.769 9.250 1.00 0.00 C ATOM 1463 O GLN A 98 -0.557 7.604 8.197 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.935 10.149 9.981 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.495 11.140 11.048 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.520 12.574 10.558 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.578 13.201 10.491 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.648 13.103 10.213 1.00 0.00 N ATOM 0 H GLN A 98 1.296 8.206 9.673 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.127 8.446 11.276 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.440 10.395 9.042 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.007 10.259 9.815 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.146 11.046 11.917 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.514 10.890 11.377 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.500 12.547 10.284 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.693 14.065 9.877 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.331 7.169 9.512 1.00 0.00 N ATOM 1478 CA HIS A 99 -2.955 6.262 8.556 1.00 0.00 C ATOM 1479 C HIS A 99 -3.753 7.037 7.512 1.00 0.00 C ATOM 1480 O HIS A 99 -4.819 7.579 7.806 1.00 0.00 O ATOM 1481 CB HIS A 99 -3.869 5.272 9.280 1.00 0.00 C ATOM 1482 CG HIS A 99 -5.127 5.892 9.805 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -6.367 5.670 9.243 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -5.333 6.731 10.847 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -7.280 6.346 9.915 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -6.680 6.998 10.894 1.00 0.00 N ATOM 0 H HIS A 99 -2.855 7.295 10.378 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.164 5.710 8.048 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.130 4.464 8.596 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.321 4.824 10.109 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.550 5.076 8.434 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.579 7.118 11.517 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.338 6.363 9.700 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.229 7.088 6.291 1.00 0.00 N ATOM 1496 CA VAL A 100 -3.892 7.798 5.203 1.00 0.00 C ATOM 1497 C VAL A 100 -5.343 7.353 5.062 1.00 0.00 C ATOM 1498 O VAL A 100 -5.799 6.454 5.768 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.165 7.576 3.864 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.711 8.009 3.967 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.268 6.119 3.437 1.00 0.00 C ATOM 0 H VAL A 100 -2.347 6.646 6.031 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.863 8.859 5.452 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.648 8.189 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.214 7.844 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.664 9.067 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.212 7.426 4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.749 5.980 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.812 5.484 4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.317 5.848 3.319 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.064 7.988 4.143 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.464 7.658 3.909 1.00 0.00 C ATOM 1513 C GLN A 101 -7.612 6.215 3.438 1.00 0.00 C ATOM 1514 O GLN A 101 -6.685 5.639 2.870 1.00 0.00 O ATOM 1515 CB GLN A 101 -8.069 8.609 2.874 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.517 8.297 2.534 1.00 0.00 C ATOM 1517 CD GLN A 101 -10.261 9.501 1.990 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -10.158 10.604 2.528 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -11.017 9.296 0.918 1.00 0.00 N ATOM 0 H GLN A 101 -5.701 8.734 3.549 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.999 7.770 4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.005 9.630 3.250 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.473 8.567 1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.549 7.493 1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.026 7.933 3.427 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.073 8.365 0.504 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.541 10.069 0.508 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.785 5.636 3.677 1.00 0.00 N ATOM 1529 CA GLY A 102 -9.032 4.265 3.271 1.00 0.00 C ATOM 1530 C GLY A 102 -7.837 3.364 3.514 1.00 0.00 C ATOM 1531 O GLY A 102 -7.433 2.606 2.633 1.00 0.00 O ATOM 0 H GLY A 102 -9.568 6.092 4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.892 3.877 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.290 4.244 2.212 1.00 0.00 H new ATOM 1535 N SER A 103 -7.270 3.447 4.714 1.00 0.00 N ATOM 1536 CA SER A 103 -6.111 2.636 5.068 1.00 0.00 C ATOM 1537 C SER A 103 -5.960 2.538 6.583 1.00 0.00 C ATOM 1538 O SER A 103 -6.251 3.477 7.324 1.00 0.00 O ATOM 1539 CB SER A 103 -4.840 3.229 4.456 1.00 0.00 C ATOM 1540 OG SER A 103 -3.682 2.595 4.969 1.00 0.00 O ATOM 0 H SER A 103 -7.594 4.067 5.456 1.00 0.00 H new ATOM 0 HA SER A 103 -6.265 1.633 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.869 3.118 3.372 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.796 4.298 4.666 1.00 0.00 H new ATOM 0 HG SER A 103 -2.983 3.265 5.123 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.494 1.373 7.056 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.145 0.247 6.184 1.00 0.00 C ATOM 1548 C PRO A 104 -6.372 -0.391 5.543 1.00 0.00 C ATOM 1549 O PRO A 104 -7.500 0.048 5.764 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.463 -0.740 7.135 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.021 -0.419 8.478 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.272 1.063 8.479 1.00 0.00 C ATOM 0 HA PRO A 104 -4.517 0.557 5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.676 -1.772 6.854 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.380 -0.622 7.118 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.943 -0.971 8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.323 -0.697 9.267 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.139 1.323 9.087 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.423 1.614 8.882 1.00 0.00 H new ATOM 1560 N PHE A 105 -6.144 -1.431 4.747 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.232 -2.131 4.073 1.00 0.00 C ATOM 1562 C PHE A 105 -6.955 -3.630 4.005 1.00 0.00 C ATOM 1563 O PHE A 105 -5.824 -4.074 4.203 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.428 -1.572 2.662 1.00 0.00 C ATOM 1565 CG PHE A 105 -6.157 -1.494 1.866 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.648 -2.619 1.237 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.471 -0.296 1.746 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.479 -2.551 0.503 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.302 -0.222 1.013 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.804 -1.351 0.392 1.00 0.00 C ATOM 0 H PHE A 105 -5.216 -1.807 4.553 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.144 -1.974 4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.144 -2.197 2.128 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.865 -0.576 2.732 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.171 -3.560 1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.854 0.590 2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.094 -3.435 0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.778 0.718 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.889 -1.296 -0.179 1.00 0.00 H new ATOM 1580 N THR A 106 -7.997 -4.406 3.723 1.00 0.00 N ATOM 1581 CA THR A 106 -7.869 -5.854 3.630 1.00 0.00 C ATOM 1582 C THR A 106 -7.669 -6.297 2.185 1.00 0.00 C ATOM 1583 O THR A 106 -8.329 -5.796 1.275 1.00 0.00 O ATOM 1584 CB THR A 106 -9.107 -6.566 4.207 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.645 -5.808 5.296 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.752 -7.967 4.684 1.00 0.00 C ATOM 0 H THR A 106 -8.940 -4.055 3.555 1.00 0.00 H new ATOM 0 HA THR A 106 -6.993 -6.132 4.217 1.00 0.00 H new ATOM 0 HB THR A 106 -9.854 -6.646 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.433 -6.267 5.656 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.642 -8.450 5.087 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.370 -8.551 3.846 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.989 -7.905 5.460 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.755 -7.241 1.981 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.470 -7.753 0.646 1.00 0.00 C ATOM 1596 C VAL A 107 -6.706 -9.257 0.573 1.00 0.00 C ATOM 1597 O VAL A 107 -6.466 -9.983 1.538 1.00 0.00 O ATOM 1598 CB VAL A 107 -5.019 -7.450 0.227 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.698 -8.114 -1.103 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.788 -5.949 0.153 1.00 0.00 C ATOM 0 H VAL A 107 -6.200 -7.666 2.723 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.151 -7.248 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.348 -7.860 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.669 -7.889 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.821 -9.193 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.374 -7.737 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.758 -5.754 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.466 -5.512 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.974 -5.504 1.130 1.00 0.00 H new ATOM 1610 N THR A 108 -7.178 -9.721 -0.580 1.00 0.00 N ATOM 1611 CA THR A 108 -7.448 -11.139 -0.781 1.00 0.00 C ATOM 1612 C THR A 108 -6.492 -11.741 -1.804 1.00 0.00 C ATOM 1613 O THR A 108 -6.618 -11.498 -3.005 1.00 0.00 O ATOM 1614 CB THR A 108 -8.896 -11.375 -1.247 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.811 -10.744 -0.344 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.203 -12.863 -1.330 1.00 0.00 C ATOM 0 H THR A 108 -7.381 -9.135 -1.389 1.00 0.00 H new ATOM 0 HA THR A 108 -7.300 -11.628 0.182 1.00 0.00 H new ATOM 0 HB THR A 108 -9.009 -10.941 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.730 -10.898 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.232 -13.004 -1.661 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.525 -13.335 -2.041 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.073 -13.317 -0.348 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.535 -12.528 -1.323 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.558 -13.167 -2.197 1.00 0.00 C ATOM 1626 C VAL A 109 -5.062 -14.519 -2.687 1.00 0.00 C ATOM 1627 O VAL A 109 -5.497 -15.356 -1.896 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.208 -13.363 -1.481 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.162 -13.892 -2.450 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.748 -12.059 -0.847 1.00 0.00 C ATOM 0 H VAL A 109 -5.415 -12.739 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.415 -12.504 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.340 -14.100 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.215 -14.024 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.491 -14.850 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.029 -13.181 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.793 -12.215 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.632 -11.300 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.489 -11.726 -0.120 1.00 0.00 H new ATOM 1640 N ARG A 110 -4.998 -14.728 -3.998 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.448 -15.979 -4.596 1.00 0.00 C ATOM 1642 C ARG A 110 -4.332 -17.020 -4.584 1.00 0.00 C ATOM 1643 O ARG A 110 -3.212 -16.738 -4.158 1.00 0.00 O ATOM 1644 CB ARG A 110 -5.924 -15.743 -6.030 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.081 -14.762 -6.134 1.00 0.00 C ATOM 1646 CD ARG A 110 -7.738 -14.819 -7.504 1.00 0.00 C ATOM 1647 NE ARG A 110 -8.459 -16.072 -7.714 1.00 0.00 N ATOM 1648 CZ ARG A 110 -9.660 -16.322 -7.205 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -10.272 -15.411 -6.461 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -10.252 -17.487 -7.440 1.00 0.00 N ATOM 0 H ARG A 110 -4.639 -14.047 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.281 -16.356 -4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.089 -15.372 -6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.226 -16.696 -6.465 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.820 -14.987 -5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.721 -13.751 -5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.428 -13.982 -7.610 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.977 -14.705 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.016 -16.794 -8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.820 -14.515 -6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.194 -15.606 -6.072 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.784 -18.191 -8.012 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.174 -17.678 -7.049 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.647 -18.223 -5.054 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.671 -19.305 -5.095 1.00 0.00 C ATOM 1666 C ARG A 111 -3.137 -19.502 -6.511 1.00 0.00 C ATOM 1667 O ARG A 111 -3.906 -19.676 -7.458 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.299 -20.606 -4.591 1.00 0.00 C ATOM 1669 CG ARG A 111 -5.286 -21.225 -5.567 1.00 0.00 C ATOM 1670 CD ARG A 111 -6.142 -22.287 -4.895 1.00 0.00 C ATOM 1671 NE ARG A 111 -5.408 -23.534 -4.693 1.00 0.00 N ATOM 1672 CZ ARG A 111 -5.143 -24.396 -5.668 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -5.549 -24.149 -6.906 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -4.470 -25.510 -5.406 1.00 0.00 N ATOM 0 H ARG A 111 -5.569 -18.472 -5.411 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.839 -19.035 -4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.507 -21.325 -4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.808 -20.412 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -5.928 -20.447 -5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.744 -21.668 -6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.494 -21.914 -3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.025 -22.480 -5.505 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.081 -23.755 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -6.067 -23.295 -7.112 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -5.344 -24.813 -7.652 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.156 -25.704 -4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -4.267 -26.171 -6.155 1.00 0.00 H new ATOM 1688 N LYS A 112 -1.816 -19.472 -6.650 1.00 0.00 N ATOM 1689 CA LYS A 112 -1.178 -19.647 -7.949 1.00 0.00 C ATOM 1690 C LYS A 112 -1.452 -21.040 -8.506 1.00 0.00 C ATOM 1691 O LYS A 112 -1.347 -22.037 -7.791 1.00 0.00 O ATOM 1692 CB LYS A 112 0.331 -19.419 -7.834 1.00 0.00 C ATOM 1693 CG LYS A 112 0.986 -19.012 -9.142 1.00 0.00 C ATOM 1694 CD LYS A 112 1.383 -20.224 -9.968 1.00 0.00 C ATOM 1695 CE LYS A 112 2.236 -19.829 -11.164 1.00 0.00 C ATOM 1696 NZ LYS A 112 1.434 -19.147 -12.217 1.00 0.00 N ATOM 0 H LYS A 112 -1.166 -19.328 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.599 -18.912 -8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.517 -18.646 -7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.801 -20.333 -7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.299 -18.389 -9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.869 -18.407 -8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.934 -20.927 -9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.487 -20.740 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.039 -19.169 -10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.706 -20.718 -11.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.052 -18.894 -13.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.683 -19.785 -12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.006 -18.285 -11.824 1.00 0.00 H new ATOM 1710 N HIS A 113 -1.802 -21.102 -9.787 1.00 0.00 N ATOM 1711 CA HIS A 113 -2.089 -22.375 -10.440 1.00 0.00 C ATOM 1712 C HIS A 113 -0.989 -23.392 -10.153 1.00 0.00 C ATOM 1713 O HIS A 113 -1.225 -24.406 -9.495 1.00 0.00 O ATOM 1714 CB HIS A 113 -2.235 -22.176 -11.949 1.00 0.00 C ATOM 1715 CG HIS A 113 -2.644 -23.417 -12.680 1.00 0.00 C ATOM 1716 ND1 HIS A 113 -3.651 -24.251 -12.243 1.00 0.00 N ATOM 1717 CD2 HIS A 113 -2.176 -23.964 -13.827 1.00 0.00 C ATOM 1718 CE1 HIS A 113 -3.784 -25.258 -13.087 1.00 0.00 C ATOM 1719 NE2 HIS A 113 -2.901 -25.107 -14.058 1.00 0.00 N ATOM 0 H HIS A 113 -1.894 -20.287 -10.393 1.00 0.00 H new ATOM 0 HA HIS A 113 -3.027 -22.758 -10.039 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -2.973 -21.395 -12.134 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -1.287 -21.822 -12.354 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -1.381 -23.574 -14.445 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -4.494 -26.067 -12.998 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -2.778 -25.737 -14.851 1.00 0.00 H new TER 1728 HIS A 113