USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 971 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 65 CYS SG : rot -102:sc= -0.992 USER MOD Set 1.2: A 70 THR OG1 : rot -109:sc= 0.122 USER MOD Set 1.3: A 106 MET CE :methyl -109:sc= -1.03 (180deg=-2.52!) USER MOD Set 2.1: A 61 THR OG1 : rot -156:sc= 0.779 USER MOD Set 2.2: A 62 HIS : no HE2:sc= -0.658 K(o=0.12,f=-13!) USER MOD Set 3.1: A 57 THR OG1 : rot -53:sc= 1.13 USER MOD Set 3.2: A 60 SER OG : rot -80:sc= 2.01 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0389 (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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.355 K(o=-0.35,f=-4.1!) USER MOD Single : A 31 SER OG : rot 80:sc= -0.955 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= -2.22! C(o=-2.2!,f=-6.2!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -118:sc= -0.24 (180deg=-1.84) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 0.00816 (180deg=-0.106) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -1.61 (180deg=-3.07!) USER MOD Single : A 73 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.135 K(o=-0.14,f=-1.5!) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc=0.000804 (180deg=0) USER MOD Single : A 92 CYS SG : rot 90:sc= 0.0676 USER MOD Single : A 93 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-4.2!) USER MOD Single : A 95 MET CE :methyl 148:sc= -1.41 (180deg=-2.5) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot 137:sc= 0.0732 USER MOD Single : A 111 SER OG : rot 49:sc= 0.678 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -61:sc= 0.274 USER MOD Single : A 119 SER OG : rot 98:sc= 0.848 USER MOD Single : A 120 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-3!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 28:sc= 0.103 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.844 33.284 -9.558 1.00 0.00 N ATOM 2 CA GLY A 1 -27.465 32.918 -9.293 1.00 0.00 C ATOM 3 C GLY A 1 -27.216 32.617 -7.828 1.00 0.00 C ATOM 4 O GLY A 1 -27.935 33.105 -6.956 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.294 32.546 -10.137 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.357 33.379 -8.658 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.871 34.189 -10.069 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.203 32.044 -9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.810 33.729 -9.611 1.00 0.00 H new ATOM 8 N SER A 2 -26.196 31.810 -7.556 1.00 0.00 N ATOM 9 CA SER A 2 -25.857 31.441 -6.187 1.00 0.00 C ATOM 10 C SER A 2 -24.371 31.121 -6.063 1.00 0.00 C ATOM 11 O SER A 2 -23.879 30.162 -6.658 1.00 0.00 O ATOM 12 CB SER A 2 -26.689 30.237 -5.741 1.00 0.00 C ATOM 13 OG SER A 2 -26.626 30.067 -4.335 1.00 0.00 O ATOM 0 H SER A 2 -25.590 31.399 -8.266 1.00 0.00 H new ATOM 0 HA SER A 2 -26.083 32.289 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.726 30.374 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.326 29.336 -6.236 1.00 0.00 H new ATOM 0 HG SER A 2 -27.167 29.292 -4.075 1.00 0.00 H new ATOM 19 N SER A 3 -23.660 31.931 -5.284 1.00 0.00 N ATOM 20 CA SER A 3 -22.229 31.737 -5.084 1.00 0.00 C ATOM 21 C SER A 3 -21.828 32.089 -3.654 1.00 0.00 C ATOM 22 O SER A 3 -22.548 32.797 -2.952 1.00 0.00 O ATOM 23 CB SER A 3 -21.434 32.592 -6.073 1.00 0.00 C ATOM 24 OG SER A 3 -20.095 32.139 -6.177 1.00 0.00 O ATOM 0 H SER A 3 -24.052 32.727 -4.781 1.00 0.00 H new ATOM 0 HA SER A 3 -22.002 30.685 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.910 32.558 -7.053 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.445 33.633 -5.750 1.00 0.00 H new ATOM 0 HG SER A 3 -19.608 32.700 -6.816 1.00 0.00 H new ATOM 30 N GLY A 4 -20.672 31.587 -3.230 1.00 0.00 N ATOM 31 CA GLY A 4 -20.195 31.858 -1.887 1.00 0.00 C ATOM 32 C GLY A 4 -18.695 32.070 -1.836 1.00 0.00 C ATOM 33 O GLY A 4 -18.032 32.117 -2.873 1.00 0.00 O ATOM 0 H GLY A 4 -20.058 30.998 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.697 32.744 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.464 31.027 -1.235 1.00 0.00 H new ATOM 37 N SER A 5 -18.157 32.201 -0.628 1.00 0.00 N ATOM 38 CA SER A 5 -16.726 32.416 -0.447 1.00 0.00 C ATOM 39 C SER A 5 -16.100 31.267 0.338 1.00 0.00 C ATOM 40 O SER A 5 -16.798 30.370 0.810 1.00 0.00 O ATOM 41 CB SER A 5 -16.475 33.740 0.277 1.00 0.00 C ATOM 42 OG SER A 5 -16.711 34.843 -0.581 1.00 0.00 O ATOM 0 H SER A 5 -18.691 32.162 0.240 1.00 0.00 H new ATOM 0 HA SER A 5 -16.262 32.456 -1.432 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.124 33.809 1.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.448 33.771 0.640 1.00 0.00 H new ATOM 0 HG SER A 5 -16.545 35.677 -0.094 1.00 0.00 H new ATOM 48 N SER A 6 -14.778 31.303 0.474 1.00 0.00 N ATOM 49 CA SER A 6 -14.055 30.264 1.198 1.00 0.00 C ATOM 50 C SER A 6 -12.765 30.815 1.795 1.00 0.00 C ATOM 51 O SER A 6 -11.914 31.345 1.082 1.00 0.00 O ATOM 52 CB SER A 6 -13.740 29.090 0.268 1.00 0.00 C ATOM 53 OG SER A 6 -12.769 28.232 0.842 1.00 0.00 O ATOM 0 H SER A 6 -14.186 32.041 0.092 1.00 0.00 H new ATOM 0 HA SER A 6 -14.690 29.914 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.652 28.528 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.377 29.467 -0.688 1.00 0.00 H new ATOM 0 HG SER A 6 -12.586 27.489 0.230 1.00 0.00 H new ATOM 59 N GLY A 7 -12.627 30.687 3.112 1.00 0.00 N ATOM 60 CA GLY A 7 -11.438 31.177 3.784 1.00 0.00 C ATOM 61 C GLY A 7 -10.429 30.078 4.052 1.00 0.00 C ATOM 62 O GLY A 7 -9.965 29.914 5.180 1.00 0.00 O ATOM 0 H GLY A 7 -13.317 30.253 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.973 31.952 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.723 31.642 4.728 1.00 0.00 H new ATOM 66 N GLU A 8 -10.089 29.321 3.013 1.00 0.00 N ATOM 67 CA GLU A 8 -9.131 28.231 3.143 1.00 0.00 C ATOM 68 C GLU A 8 -8.073 28.558 4.194 1.00 0.00 C ATOM 69 O GLU A 8 -7.078 29.230 3.921 1.00 0.00 O ATOM 70 CB GLU A 8 -8.459 27.949 1.798 1.00 0.00 C ATOM 71 CG GLU A 8 -9.436 27.575 0.696 1.00 0.00 C ATOM 72 CD GLU A 8 -8.803 26.710 -0.376 1.00 0.00 C ATOM 73 OE1 GLU A 8 -8.217 27.273 -1.325 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.893 25.469 -0.266 1.00 0.00 O ATOM 0 H GLU A 8 -10.463 29.443 2.072 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.674 27.342 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.897 28.831 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.739 27.140 1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.283 27.045 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.828 28.484 0.240 1.00 0.00 H new ATOM 81 N PRO A 9 -8.292 28.073 5.425 1.00 0.00 N ATOM 82 CA PRO A 9 -7.370 28.302 6.541 1.00 0.00 C ATOM 83 C PRO A 9 -6.057 27.547 6.372 1.00 0.00 C ATOM 84 O PRO A 9 -5.939 26.389 6.773 1.00 0.00 O ATOM 85 CB PRO A 9 -8.141 27.769 7.752 1.00 0.00 C ATOM 86 CG PRO A 9 -9.083 26.762 7.189 1.00 0.00 C ATOM 87 CD PRO A 9 -9.457 27.265 5.822 1.00 0.00 C ATOM 0 HA PRO A 9 -7.086 29.351 6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.469 27.318 8.482 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.676 28.569 8.264 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.614 25.780 7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.965 26.656 7.821 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.633 26.445 5.126 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.369 27.861 5.849 1.00 0.00 H new ATOM 95 N ARG A 10 -5.071 28.210 5.776 1.00 0.00 N ATOM 96 CA ARG A 10 -3.766 27.600 5.553 1.00 0.00 C ATOM 97 C ARG A 10 -3.318 26.809 6.779 1.00 0.00 C ATOM 98 O ARG A 10 -3.671 27.145 7.909 1.00 0.00 O ATOM 99 CB ARG A 10 -2.728 28.674 5.219 1.00 0.00 C ATOM 100 CG ARG A 10 -2.657 29.013 3.739 1.00 0.00 C ATOM 101 CD ARG A 10 -3.673 30.080 3.363 1.00 0.00 C ATOM 102 NE ARG A 10 -3.401 31.353 4.025 1.00 0.00 N ATOM 103 CZ ARG A 10 -2.502 32.230 3.592 1.00 0.00 C ATOM 104 NH1 ARG A 10 -1.794 31.973 2.501 1.00 0.00 N ATOM 105 NH2 ARG A 10 -2.312 33.367 4.249 1.00 0.00 N ATOM 0 H ARG A 10 -5.151 29.169 5.439 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.853 26.913 4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.961 29.579 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.747 28.336 5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.654 29.361 3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.837 28.114 3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.664 30.224 2.283 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.673 29.739 3.631 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.931 31.581 4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.939 31.101 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.104 32.648 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.857 33.569 5.088 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.621 34.039 3.915 1.00 0.00 H new ATOM 119 N ARG A 11 -2.540 25.757 6.546 1.00 0.00 N ATOM 120 CA ARG A 11 -2.046 24.917 7.630 1.00 0.00 C ATOM 121 C ARG A 11 -0.611 25.286 7.994 1.00 0.00 C ATOM 122 O ARG A 11 0.202 25.635 7.137 1.00 0.00 O ATOM 123 CB ARG A 11 -2.120 23.441 7.235 1.00 0.00 C ATOM 124 CG ARG A 11 -3.513 22.846 7.362 1.00 0.00 C ATOM 125 CD ARG A 11 -3.599 21.483 6.693 1.00 0.00 C ATOM 126 NE ARG A 11 -4.873 20.821 6.960 1.00 0.00 N ATOM 127 CZ ARG A 11 -5.184 20.270 8.128 1.00 0.00 C ATOM 128 NH1 ARG A 11 -4.318 20.301 9.132 1.00 0.00 N ATOM 129 NH2 ARG A 11 -6.364 19.686 8.294 1.00 0.00 N ATOM 0 H ARG A 11 -2.238 25.466 5.616 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.678 25.085 8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.780 23.332 6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.432 22.871 7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.775 22.753 8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.241 23.521 6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.469 21.599 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.782 20.854 7.047 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.562 20.779 6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.410 20.749 9.009 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.560 19.877 10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.033 19.660 7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.602 19.263 9.191 1.00 0.00 H new ATOM 143 N PRO A 12 -0.291 25.209 9.294 1.00 0.00 N ATOM 144 CA PRO A 12 1.047 25.532 9.800 1.00 0.00 C ATOM 145 C PRO A 12 2.089 24.500 9.382 1.00 0.00 C ATOM 146 O PRO A 12 3.261 24.828 9.197 1.00 0.00 O ATOM 147 CB PRO A 12 0.863 25.520 11.320 1.00 0.00 C ATOM 148 CG PRO A 12 -0.301 24.619 11.554 1.00 0.00 C ATOM 149 CD PRO A 12 -1.210 24.801 10.370 1.00 0.00 C ATOM 0 HA PRO A 12 1.413 26.481 9.408 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.756 25.151 11.824 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.671 26.522 11.703 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.020 23.581 11.643 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.813 24.875 12.482 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.736 23.879 10.121 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.969 25.560 10.559 1.00 0.00 H new ATOM 157 N ARG A 13 1.654 23.253 9.233 1.00 0.00 N ATOM 158 CA ARG A 13 2.550 22.174 8.837 1.00 0.00 C ATOM 159 C ARG A 13 2.976 22.328 7.379 1.00 0.00 C ATOM 160 O ARG A 13 2.302 22.992 6.592 1.00 0.00 O ATOM 161 CB ARG A 13 1.871 20.818 9.040 1.00 0.00 C ATOM 162 CG ARG A 13 2.692 19.643 8.533 1.00 0.00 C ATOM 163 CD ARG A 13 3.978 19.478 9.329 1.00 0.00 C ATOM 164 NE ARG A 13 3.782 18.658 10.521 1.00 0.00 N ATOM 165 CZ ARG A 13 3.398 19.148 11.695 1.00 0.00 C ATOM 166 NH1 ARG A 13 3.171 20.447 11.832 1.00 0.00 N ATOM 167 NH2 ARG A 13 3.242 18.338 12.734 1.00 0.00 N ATOM 0 H ARG A 13 0.687 22.965 9.381 1.00 0.00 H new ATOM 0 HA ARG A 13 3.439 22.225 9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.669 20.678 10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.908 20.824 8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.102 18.729 8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.931 19.792 7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.740 19.022 8.697 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.352 20.459 9.621 1.00 0.00 H new ATOM 0 HE ARG A 13 3.949 17.654 10.449 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.291 21.073 11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.876 20.821 12.734 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.417 17.338 12.632 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.947 18.715 13.635 1.00 0.00 H new ATOM 181 N ALA A 14 4.099 21.710 7.028 1.00 0.00 N ATOM 182 CA ALA A 14 4.614 21.778 5.666 1.00 0.00 C ATOM 183 C ALA A 14 3.506 21.531 4.648 1.00 0.00 C ATOM 184 O ALA A 14 2.618 20.709 4.869 1.00 0.00 O ATOM 185 CB ALA A 14 5.740 20.772 5.477 1.00 0.00 C ATOM 0 H ALA A 14 4.669 21.157 7.668 1.00 0.00 H new ATOM 0 HA ALA A 14 5.006 22.782 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.115 20.834 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.548 20.995 6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.365 19.766 5.666 1.00 0.00 H new ATOM 191 N GLY A 15 3.565 22.250 3.530 1.00 0.00 N ATOM 192 CA GLY A 15 2.560 22.094 2.495 1.00 0.00 C ATOM 193 C GLY A 15 2.399 20.653 2.055 1.00 0.00 C ATOM 194 O GLY A 15 3.292 19.824 2.233 1.00 0.00 O ATOM 0 H GLY A 15 4.290 22.937 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.604 22.467 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.832 22.705 1.634 1.00 0.00 H new ATOM 198 N PRO A 16 1.236 20.336 1.466 1.00 0.00 N ATOM 199 CA PRO A 16 0.933 18.984 0.988 1.00 0.00 C ATOM 200 C PRO A 16 1.767 18.599 -0.229 1.00 0.00 C ATOM 201 O PRO A 16 1.686 17.472 -0.716 1.00 0.00 O ATOM 202 CB PRO A 16 -0.550 19.062 0.618 1.00 0.00 C ATOM 203 CG PRO A 16 -0.789 20.501 0.314 1.00 0.00 C ATOM 204 CD PRO A 16 0.127 21.274 1.222 1.00 0.00 C ATOM 0 HA PRO A 16 1.159 18.226 1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.777 18.433 -0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.181 18.720 1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.576 20.719 -0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.831 20.769 0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.475 22.194 0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.371 21.557 2.149 1.00 0.00 H new ATOM 212 N GLU A 17 2.566 19.543 -0.716 1.00 0.00 N ATOM 213 CA GLU A 17 3.414 19.301 -1.877 1.00 0.00 C ATOM 214 C GLU A 17 4.566 18.365 -1.524 1.00 0.00 C ATOM 215 O GLU A 17 4.904 17.464 -2.291 1.00 0.00 O ATOM 216 CB GLU A 17 3.963 20.622 -2.420 1.00 0.00 C ATOM 217 CG GLU A 17 4.761 21.415 -1.398 1.00 0.00 C ATOM 218 CD GLU A 17 5.058 22.829 -1.859 1.00 0.00 C ATOM 219 OE1 GLU A 17 5.703 22.985 -2.917 1.00 0.00 O ATOM 220 OE2 GLU A 17 4.645 23.779 -1.162 1.00 0.00 O ATOM 0 H GLU A 17 2.644 20.482 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 17 2.806 18.826 -2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.597 20.415 -3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.133 21.233 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.208 21.452 -0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.699 20.898 -1.195 1.00 0.00 H new ATOM 227 N GLU A 18 5.166 18.588 -0.359 1.00 0.00 N ATOM 228 CA GLU A 18 6.282 17.765 0.095 1.00 0.00 C ATOM 229 C GLU A 18 5.947 16.281 -0.025 1.00 0.00 C ATOM 230 O GLU A 18 6.658 15.524 -0.686 1.00 0.00 O ATOM 231 CB GLU A 18 6.638 18.104 1.544 1.00 0.00 C ATOM 232 CG GLU A 18 7.500 19.347 1.683 1.00 0.00 C ATOM 233 CD GLU A 18 6.819 20.593 1.151 1.00 0.00 C ATOM 234 OE1 GLU A 18 5.679 20.874 1.576 1.00 0.00 O ATOM 235 OE2 GLU A 18 7.428 21.288 0.310 1.00 0.00 O ATOM 0 H GLU A 18 4.899 19.331 0.287 1.00 0.00 H new ATOM 0 HA GLU A 18 7.141 17.978 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.718 18.244 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.161 17.257 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.750 19.495 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.439 19.195 1.150 1.00 0.00 H new ATOM 242 N LEU A 19 4.860 15.872 0.621 1.00 0.00 N ATOM 243 CA LEU A 19 4.430 14.479 0.588 1.00 0.00 C ATOM 244 C LEU A 19 3.866 14.115 -0.781 1.00 0.00 C ATOM 245 O LEU A 19 4.064 13.003 -1.270 1.00 0.00 O ATOM 246 CB LEU A 19 3.379 14.224 1.670 1.00 0.00 C ATOM 247 CG LEU A 19 3.910 14.032 3.091 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.031 15.371 3.801 1.00 0.00 C ATOM 249 CD2 LEU A 19 3.008 13.090 3.875 1.00 0.00 C ATOM 0 H LEU A 19 4.261 16.485 1.174 1.00 0.00 H new ATOM 0 HA LEU A 19 5.300 13.851 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.681 15.061 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.810 13.336 1.393 1.00 0.00 H new ATOM 0 HG LEU A 19 4.902 13.585 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.410 15.214 4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.718 16.014 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.051 15.846 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.401 12.965 4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.003 13.508 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.973 12.121 3.377 1.00 0.00 H new ATOM 261 N GLY A 20 3.163 15.061 -1.397 1.00 0.00 N ATOM 262 CA GLY A 20 2.583 14.821 -2.706 1.00 0.00 C ATOM 263 C GLY A 20 3.629 14.487 -3.751 1.00 0.00 C ATOM 264 O GLY A 20 3.297 14.096 -4.870 1.00 0.00 O ATOM 0 H GLY A 20 2.985 15.989 -1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.867 14.002 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.028 15.704 -3.021 1.00 0.00 H new ATOM 268 N LYS A 21 4.898 14.642 -3.387 1.00 0.00 N ATOM 269 CA LYS A 21 5.997 14.356 -4.301 1.00 0.00 C ATOM 270 C LYS A 21 6.641 13.013 -3.973 1.00 0.00 C ATOM 271 O LYS A 21 7.644 12.631 -4.577 1.00 0.00 O ATOM 272 CB LYS A 21 7.046 15.467 -4.234 1.00 0.00 C ATOM 273 CG LYS A 21 6.650 16.725 -4.988 1.00 0.00 C ATOM 274 CD LYS A 21 7.113 16.677 -6.435 1.00 0.00 C ATOM 275 CE LYS A 21 6.612 17.879 -7.221 1.00 0.00 C ATOM 276 NZ LYS A 21 6.612 17.622 -8.687 1.00 0.00 N ATOM 0 H LYS A 21 5.190 14.964 -2.465 1.00 0.00 H new ATOM 0 HA LYS A 21 5.593 14.308 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.227 15.721 -3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.986 15.092 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.567 16.844 -4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.082 17.596 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.202 16.647 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.754 15.760 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.602 18.130 -6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.241 18.743 -7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.264 18.465 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.580 17.407 -9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.992 16.814 -8.898 1.00 0.00 H new ATOM 290 N ILE A 22 6.059 12.301 -3.014 1.00 0.00 N ATOM 291 CA ILE A 22 6.576 11.000 -2.608 1.00 0.00 C ATOM 292 C ILE A 22 5.960 9.880 -3.440 1.00 0.00 C ATOM 293 O ILE A 22 6.670 9.117 -4.097 1.00 0.00 O ATOM 294 CB ILE A 22 6.303 10.726 -1.117 1.00 0.00 C ATOM 295 CG1 ILE A 22 6.941 11.815 -0.251 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.830 9.354 -0.726 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.542 11.740 1.206 1.00 0.00 C ATOM 0 H ILE A 22 5.229 12.603 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 22 7.653 11.023 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 22 5.226 10.741 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.026 11.739 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.662 12.792 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.630 9.175 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.334 8.590 -1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.905 9.313 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.031 12.542 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.461 11.847 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.846 10.777 1.617 1.00 0.00 H new ATOM 309 N LEU A 23 4.635 9.787 -3.409 1.00 0.00 N ATOM 310 CA LEU A 23 3.922 8.761 -4.162 1.00 0.00 C ATOM 311 C LEU A 23 3.133 9.379 -5.312 1.00 0.00 C ATOM 312 O LEU A 23 1.997 8.989 -5.576 1.00 0.00 O ATOM 313 CB LEU A 23 2.979 7.987 -3.239 1.00 0.00 C ATOM 314 CG LEU A 23 3.646 7.158 -2.140 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.600 6.417 -1.322 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.646 6.181 -2.742 1.00 0.00 C ATOM 0 H LEU A 23 4.033 10.410 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 23 4.658 8.074 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.299 8.697 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.370 7.321 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 23 4.184 7.835 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.093 5.833 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.923 7.136 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.034 5.751 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.111 5.600 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.130 5.509 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.414 6.734 -3.284 1.00 0.00 H new ATOM 328 N GLN A 24 3.746 10.343 -5.992 1.00 0.00 N ATOM 329 CA GLN A 24 3.100 11.014 -7.114 1.00 0.00 C ATOM 330 C GLN A 24 2.843 10.037 -8.257 1.00 0.00 C ATOM 331 O GLN A 24 3.740 9.310 -8.679 1.00 0.00 O ATOM 332 CB GLN A 24 3.964 12.176 -7.607 1.00 0.00 C ATOM 333 CG GLN A 24 3.393 12.885 -8.824 1.00 0.00 C ATOM 334 CD GLN A 24 1.955 13.320 -8.624 1.00 0.00 C ATOM 335 OE1 GLN A 24 1.024 12.646 -9.067 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.765 14.451 -7.955 1.00 0.00 N ATOM 0 H GLN A 24 4.688 10.676 -5.786 1.00 0.00 H new ATOM 0 HA GLN A 24 2.142 11.403 -6.769 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.083 12.898 -6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.959 11.801 -7.849 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.005 13.758 -9.051 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.451 12.222 -9.687 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.566 14.978 -7.606 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.818 14.793 -7.790 1.00 0.00 H new ATOM 345 N GLY A 25 1.609 10.025 -8.752 1.00 0.00 N ATOM 346 CA GLY A 25 1.255 9.133 -9.841 1.00 0.00 C ATOM 347 C GLY A 25 1.083 7.698 -9.382 1.00 0.00 C ATOM 348 O GLY A 25 1.247 6.764 -10.167 1.00 0.00 O ATOM 0 H GLY A 25 0.848 10.617 -8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.329 9.477 -10.302 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.028 9.176 -10.608 1.00 0.00 H new ATOM 352 N VAL A 26 0.753 7.522 -8.106 1.00 0.00 N ATOM 353 CA VAL A 26 0.560 6.190 -7.544 1.00 0.00 C ATOM 354 C VAL A 26 -0.872 6.002 -7.058 1.00 0.00 C ATOM 355 O VAL A 26 -1.552 6.966 -6.705 1.00 0.00 O ATOM 356 CB VAL A 26 1.526 5.930 -6.373 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.305 4.540 -5.797 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.968 6.106 -6.823 1.00 0.00 C ATOM 0 H VAL A 26 0.614 8.284 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 26 0.767 5.476 -8.341 1.00 0.00 H new ATOM 0 HB VAL A 26 1.323 6.659 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.996 4.374 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.280 4.455 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.480 3.793 -6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.637 5.918 -5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.187 5.402 -7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.115 7.124 -7.183 1.00 0.00 H new ATOM 368 N VAL A 27 -1.327 4.753 -7.042 1.00 0.00 N ATOM 369 CA VAL A 27 -2.679 4.436 -6.598 1.00 0.00 C ATOM 370 C VAL A 27 -2.664 3.365 -5.513 1.00 0.00 C ATOM 371 O VAL A 27 -1.878 2.420 -5.569 1.00 0.00 O ATOM 372 CB VAL A 27 -3.556 3.954 -7.769 1.00 0.00 C ATOM 373 CG1 VAL A 27 -4.974 3.677 -7.295 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.551 4.977 -8.894 1.00 0.00 C ATOM 0 H VAL A 27 -0.778 3.944 -7.332 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.102 5.354 -6.192 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.139 3.023 -8.154 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.579 3.338 -8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.956 2.905 -6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.405 4.590 -6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.176 4.620 -9.713 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.943 5.925 -8.525 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.531 5.120 -9.251 1.00 0.00 H new ATOM 384 N VAL A 28 -3.540 3.520 -4.525 1.00 0.00 N ATOM 385 CA VAL A 28 -3.630 2.565 -3.427 1.00 0.00 C ATOM 386 C VAL A 28 -5.080 2.192 -3.140 1.00 0.00 C ATOM 387 O VAL A 28 -5.973 3.038 -3.197 1.00 0.00 O ATOM 388 CB VAL A 28 -2.992 3.125 -2.142 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.475 3.124 -2.255 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.512 4.526 -1.857 1.00 0.00 C ATOM 0 H VAL A 28 -4.197 4.298 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.083 1.674 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.271 2.481 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.042 3.523 -1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.122 2.104 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.173 3.744 -3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.051 4.907 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.264 5.183 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.594 4.494 -1.730 1.00 0.00 H new ATOM 400 N VAL A 29 -5.309 0.920 -2.831 1.00 0.00 N ATOM 401 CA VAL A 29 -6.651 0.434 -2.532 1.00 0.00 C ATOM 402 C VAL A 29 -6.747 -0.068 -1.096 1.00 0.00 C ATOM 403 O VAL A 29 -5.962 -0.916 -0.669 1.00 0.00 O ATOM 404 CB VAL A 29 -7.063 -0.700 -3.490 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.383 -1.315 -3.052 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.154 -0.184 -4.918 1.00 0.00 C ATOM 0 H VAL A 29 -4.582 0.206 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.330 1.276 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.299 -1.476 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.658 -2.114 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.279 -1.722 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.160 -0.550 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.446 -0.998 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.897 0.611 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.184 0.205 -5.227 1.00 0.00 H new ATOM 416 N LEU A 30 -7.715 0.459 -0.355 1.00 0.00 N ATOM 417 CA LEU A 30 -7.915 0.064 1.035 1.00 0.00 C ATOM 418 C LEU A 30 -8.774 -1.193 1.125 1.00 0.00 C ATOM 419 O LEU A 30 -9.823 -1.287 0.489 1.00 0.00 O ATOM 420 CB LEU A 30 -8.572 1.202 1.820 1.00 0.00 C ATOM 421 CG LEU A 30 -7.743 2.477 1.974 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.575 3.581 2.607 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.495 2.205 2.802 1.00 0.00 C ATOM 0 H LEU A 30 -8.374 1.161 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.939 -0.153 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.511 1.460 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.823 0.833 2.815 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.432 2.808 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.968 4.481 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.437 3.794 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.916 3.260 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.917 3.124 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.785 1.850 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.888 1.446 2.307 1.00 0.00 H new ATOM 435 N SER A 31 -8.322 -2.156 1.922 1.00 0.00 N ATOM 436 CA SER A 31 -9.048 -3.409 2.095 1.00 0.00 C ATOM 437 C SER A 31 -8.778 -4.008 3.472 1.00 0.00 C ATOM 438 O SER A 31 -7.634 -4.076 3.919 1.00 0.00 O ATOM 439 CB SER A 31 -8.650 -4.408 1.006 1.00 0.00 C ATOM 440 OG SER A 31 -8.849 -3.860 -0.286 1.00 0.00 O ATOM 0 H SER A 31 -7.457 -2.093 2.458 1.00 0.00 H new ATOM 0 HA SER A 31 -10.114 -3.197 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.604 -4.687 1.129 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.238 -5.320 1.112 1.00 0.00 H new ATOM 0 HG SER A 31 -8.101 -3.268 -0.509 1.00 0.00 H new ATOM 446 N GLY A 32 -9.843 -4.441 4.140 1.00 0.00 N ATOM 447 CA GLY A 32 -9.702 -5.028 5.460 1.00 0.00 C ATOM 448 C GLY A 32 -9.234 -4.024 6.495 1.00 0.00 C ATOM 449 O GLY A 32 -8.300 -4.290 7.251 1.00 0.00 O ATOM 0 H GLY A 32 -10.800 -4.396 3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.659 -5.447 5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.992 -5.854 5.413 1.00 0.00 H new ATOM 453 N PHE A 33 -9.883 -2.865 6.527 1.00 0.00 N ATOM 454 CA PHE A 33 -9.527 -1.815 7.475 1.00 0.00 C ATOM 455 C PHE A 33 -10.753 -1.346 8.253 1.00 0.00 C ATOM 456 O PHE A 33 -11.884 -1.474 7.785 1.00 0.00 O ATOM 457 CB PHE A 33 -8.890 -0.632 6.743 1.00 0.00 C ATOM 458 CG PHE A 33 -7.484 -0.897 6.285 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.484 -1.175 7.202 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.163 -0.868 4.937 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.189 -1.419 6.785 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.870 -1.112 4.514 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.882 -1.387 5.439 1.00 0.00 C ATOM 0 H PHE A 33 -10.658 -2.629 5.908 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.806 -2.227 8.181 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.503 -0.377 5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.891 0.236 7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.719 -1.201 8.256 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.931 -0.652 4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.419 -1.634 7.511 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.632 -1.088 3.461 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.871 -1.577 5.110 1.00 0.00 H new ATOM 473 N GLN A 34 -10.518 -0.802 9.443 1.00 0.00 N ATOM 474 CA GLN A 34 -11.603 -0.315 10.287 1.00 0.00 C ATOM 475 C GLN A 34 -11.242 1.027 10.916 1.00 0.00 C ATOM 476 O GLN A 34 -10.103 1.245 11.326 1.00 0.00 O ATOM 477 CB GLN A 34 -11.924 -1.335 11.380 1.00 0.00 C ATOM 478 CG GLN A 34 -12.839 -2.456 10.917 1.00 0.00 C ATOM 479 CD GLN A 34 -14.306 -2.080 10.988 1.00 0.00 C ATOM 480 OE1 GLN A 34 -14.652 -0.908 11.141 1.00 0.00 O ATOM 481 NE2 GLN A 34 -15.179 -3.075 10.877 1.00 0.00 N ATOM 0 H GLN A 34 -9.587 -0.688 9.844 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.484 -0.176 9.660 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.993 -1.766 11.748 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.390 -0.820 12.220 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.586 -2.726 9.892 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.664 -3.339 11.531 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.849 -4.032 10.751 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.180 -2.882 10.917 1.00 0.00 H new ATOM 490 N ASN A 35 -12.221 1.923 10.988 1.00 0.00 N ATOM 491 CA ASN A 35 -12.007 3.244 11.567 1.00 0.00 C ATOM 492 C ASN A 35 -11.692 3.141 13.056 1.00 0.00 C ATOM 493 O ASN A 35 -11.972 2.134 13.707 1.00 0.00 O ATOM 494 CB ASN A 35 -13.240 4.124 11.354 1.00 0.00 C ATOM 495 CG ASN A 35 -13.163 4.927 10.070 1.00 0.00 C ATOM 496 OD1 ASN A 35 -12.432 5.913 9.985 1.00 0.00 O ATOM 497 ND2 ASN A 35 -13.921 4.507 9.064 1.00 0.00 N ATOM 0 H ASN A 35 -13.170 1.758 10.653 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.154 3.699 11.064 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.131 3.497 11.334 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.348 4.804 12.199 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.912 5.008 8.175 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.512 3.684 9.180 1.00 0.00 H new ATOM 504 N PRO A 36 -11.097 4.208 13.611 1.00 0.00 N ATOM 505 CA PRO A 36 -10.759 5.412 12.846 1.00 0.00 C ATOM 506 C PRO A 36 -9.624 5.170 11.856 1.00 0.00 C ATOM 507 O PRO A 36 -9.550 5.817 10.811 1.00 0.00 O ATOM 508 CB PRO A 36 -10.324 6.407 13.925 1.00 0.00 C ATOM 509 CG PRO A 36 -9.855 5.558 15.056 1.00 0.00 C ATOM 510 CD PRO A 36 -10.708 4.320 15.027 1.00 0.00 C ATOM 0 HA PRO A 36 -11.596 5.758 12.240 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.529 7.060 13.564 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.151 7.049 14.228 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -8.800 5.308 14.944 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.960 6.082 16.006 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.155 3.443 15.363 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.578 4.416 15.677 1.00 0.00 H new ATOM 518 N PHE A 37 -8.742 4.235 12.192 1.00 0.00 N ATOM 519 CA PHE A 37 -7.610 3.908 11.332 1.00 0.00 C ATOM 520 C PHE A 37 -7.996 4.017 9.860 1.00 0.00 C ATOM 521 O PHE A 37 -7.328 4.698 9.081 1.00 0.00 O ATOM 522 CB PHE A 37 -7.103 2.497 11.635 1.00 0.00 C ATOM 523 CG PHE A 37 -5.913 2.097 10.810 1.00 0.00 C ATOM 524 CD1 PHE A 37 -4.920 3.016 10.512 1.00 0.00 C ATOM 525 CD2 PHE A 37 -5.788 0.802 10.332 1.00 0.00 C ATOM 526 CE1 PHE A 37 -3.825 2.650 9.752 1.00 0.00 C ATOM 527 CE2 PHE A 37 -4.695 0.431 9.572 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.712 1.356 9.283 1.00 0.00 C ATOM 0 H PHE A 37 -8.789 3.690 13.053 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.813 4.624 11.534 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.841 2.433 12.691 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.910 1.785 11.463 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.002 4.029 10.877 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.554 0.074 10.556 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.058 3.376 9.525 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.610 -0.581 9.205 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.856 1.068 8.691 1.00 0.00 H new ATOM 538 N ARG A 38 -9.077 3.341 9.486 1.00 0.00 N ATOM 539 CA ARG A 38 -9.551 3.359 8.108 1.00 0.00 C ATOM 540 C ARG A 38 -9.320 4.727 7.472 1.00 0.00 C ATOM 541 O ARG A 38 -8.756 4.829 6.383 1.00 0.00 O ATOM 542 CB ARG A 38 -11.038 3.004 8.053 1.00 0.00 C ATOM 543 CG ARG A 38 -11.615 3.012 6.647 1.00 0.00 C ATOM 544 CD ARG A 38 -11.041 1.885 5.803 1.00 0.00 C ATOM 545 NE ARG A 38 -11.796 0.645 5.960 1.00 0.00 N ATOM 546 CZ ARG A 38 -12.985 0.433 5.407 1.00 0.00 C ATOM 547 NH1 ARG A 38 -13.552 1.373 4.664 1.00 0.00 N ATOM 548 NH2 ARG A 38 -13.610 -0.723 5.597 1.00 0.00 N ATOM 0 H ARG A 38 -9.641 2.774 10.119 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.986 2.615 7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.183 2.016 8.491 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.594 3.710 8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.699 2.915 6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.403 3.969 6.171 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.043 2.180 4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.002 1.715 6.084 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.388 -0.099 6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.075 2.262 4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.465 1.207 4.241 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.177 -1.449 6.168 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.523 -0.885 5.172 1.00 0.00 H new ATOM 562 N SER A 39 -9.761 5.776 8.160 1.00 0.00 N ATOM 563 CA SER A 39 -9.607 7.137 7.661 1.00 0.00 C ATOM 564 C SER A 39 -8.136 7.540 7.628 1.00 0.00 C ATOM 565 O SER A 39 -7.613 7.936 6.586 1.00 0.00 O ATOM 566 CB SER A 39 -10.396 8.115 8.533 1.00 0.00 C ATOM 567 OG SER A 39 -10.326 9.432 8.013 1.00 0.00 O ATOM 0 H SER A 39 -10.228 5.709 9.064 1.00 0.00 H new ATOM 0 HA SER A 39 -9.998 7.171 6.644 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.437 7.798 8.590 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.002 8.100 9.549 1.00 0.00 H new ATOM 0 HG SER A 39 -10.840 10.038 8.587 1.00 0.00 H new ATOM 573 N GLU A 40 -7.474 7.435 8.776 1.00 0.00 N ATOM 574 CA GLU A 40 -6.063 7.789 8.879 1.00 0.00 C ATOM 575 C GLU A 40 -5.278 7.250 7.686 1.00 0.00 C ATOM 576 O GLU A 40 -4.448 7.952 7.107 1.00 0.00 O ATOM 577 CB GLU A 40 -5.471 7.244 10.181 1.00 0.00 C ATOM 578 CG GLU A 40 -4.015 7.623 10.393 1.00 0.00 C ATOM 579 CD GLU A 40 -3.524 7.294 11.789 1.00 0.00 C ATOM 580 OE1 GLU A 40 -3.206 6.113 12.044 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.458 8.217 12.627 1.00 0.00 O ATOM 0 H GLU A 40 -7.892 7.108 9.647 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.987 8.876 8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.060 7.613 11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.559 6.158 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.397 7.101 9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.891 8.690 10.210 1.00 0.00 H new ATOM 588 N LEU A 41 -5.547 6.000 7.325 1.00 0.00 N ATOM 589 CA LEU A 41 -4.866 5.366 6.202 1.00 0.00 C ATOM 590 C LEU A 41 -4.988 6.215 4.940 1.00 0.00 C ATOM 591 O LEU A 41 -3.987 6.560 4.313 1.00 0.00 O ATOM 592 CB LEU A 41 -5.445 3.973 5.950 1.00 0.00 C ATOM 593 CG LEU A 41 -4.485 2.945 5.349 1.00 0.00 C ATOM 594 CD1 LEU A 41 -3.832 3.498 4.091 1.00 0.00 C ATOM 595 CD2 LEU A 41 -3.430 2.541 6.367 1.00 0.00 C ATOM 0 H LEU A 41 -6.231 5.406 7.793 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.810 5.274 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.820 3.581 6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.302 4.073 5.284 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.056 2.057 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.152 2.754 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.601 3.736 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.274 4.401 4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.756 1.809 5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.862 3.420 6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.915 2.104 7.240 1.00 0.00 H new ATOM 607 N ARG A 42 -6.222 6.550 4.577 1.00 0.00 N ATOM 608 CA ARG A 42 -6.475 7.361 3.391 1.00 0.00 C ATOM 609 C ARG A 42 -5.800 8.724 3.510 1.00 0.00 C ATOM 610 O ARG A 42 -4.973 9.093 2.675 1.00 0.00 O ATOM 611 CB ARG A 42 -7.980 7.541 3.183 1.00 0.00 C ATOM 612 CG ARG A 42 -8.344 8.088 1.813 1.00 0.00 C ATOM 613 CD ARG A 42 -9.787 8.565 1.768 1.00 0.00 C ATOM 614 NE ARG A 42 -9.956 9.860 2.422 1.00 0.00 N ATOM 615 CZ ARG A 42 -11.038 10.618 2.283 1.00 0.00 C ATOM 616 NH1 ARG A 42 -12.041 10.213 1.516 1.00 0.00 N ATOM 617 NH2 ARG A 42 -11.118 11.785 2.911 1.00 0.00 N ATOM 0 H ARG A 42 -7.061 6.273 5.086 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.055 6.842 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.475 6.580 3.325 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.366 8.215 3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.679 8.914 1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.192 7.315 1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.113 8.638 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.428 7.828 2.252 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.202 10.201 3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.983 9.318 1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.871 10.797 1.411 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.348 12.100 3.501 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.949 12.366 2.803 1.00 0.00 H new ATOM 631 N ASP A 43 -6.157 9.467 4.551 1.00 0.00 N ATOM 632 CA ASP A 43 -5.586 10.789 4.779 1.00 0.00 C ATOM 633 C ASP A 43 -4.088 10.790 4.492 1.00 0.00 C ATOM 634 O ASP A 43 -3.588 11.631 3.744 1.00 0.00 O ATOM 635 CB ASP A 43 -5.842 11.237 6.219 1.00 0.00 C ATOM 636 CG ASP A 43 -7.190 11.910 6.385 1.00 0.00 C ATOM 637 OD1 ASP A 43 -8.176 11.414 5.802 1.00 0.00 O ATOM 638 OD2 ASP A 43 -7.258 12.935 7.096 1.00 0.00 O ATOM 0 H ASP A 43 -6.840 9.176 5.251 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.069 11.489 4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.787 10.372 6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.055 11.925 6.528 1.00 0.00 H new ATOM 643 N LYS A 44 -3.375 9.843 5.091 1.00 0.00 N ATOM 644 CA LYS A 44 -1.933 9.733 4.900 1.00 0.00 C ATOM 645 C LYS A 44 -1.602 9.357 3.459 1.00 0.00 C ATOM 646 O LYS A 44 -0.646 9.870 2.878 1.00 0.00 O ATOM 647 CB LYS A 44 -1.349 8.691 5.857 1.00 0.00 C ATOM 648 CG LYS A 44 -1.043 9.240 7.240 1.00 0.00 C ATOM 649 CD LYS A 44 -0.693 8.129 8.216 1.00 0.00 C ATOM 650 CE LYS A 44 -0.213 8.687 9.547 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.249 9.534 10.200 1.00 0.00 N ATOM 0 H LYS A 44 -3.772 9.140 5.714 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.488 10.705 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.051 7.862 5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.434 8.286 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.214 9.945 7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.905 9.794 7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.567 7.498 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.082 7.496 7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.054 7.864 10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.691 9.276 9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.891 10.505 10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.110 9.540 9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.470 9.149 11.140 1.00 0.00 H new ATOM 665 N ALA A 45 -2.400 8.460 2.888 1.00 0.00 N ATOM 666 CA ALA A 45 -2.193 8.019 1.515 1.00 0.00 C ATOM 667 C ALA A 45 -2.354 9.177 0.536 1.00 0.00 C ATOM 668 O ALA A 45 -1.683 9.229 -0.496 1.00 0.00 O ATOM 669 CB ALA A 45 -3.160 6.896 1.170 1.00 0.00 C ATOM 0 H ALA A 45 -3.195 8.025 3.356 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.173 7.645 1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.994 6.576 0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.995 6.054 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.185 7.252 1.279 1.00 0.00 H new ATOM 675 N LEU A 46 -3.246 10.104 0.865 1.00 0.00 N ATOM 676 CA LEU A 46 -3.495 11.263 0.015 1.00 0.00 C ATOM 677 C LEU A 46 -2.292 12.199 0.003 1.00 0.00 C ATOM 678 O LEU A 46 -1.827 12.614 -1.058 1.00 0.00 O ATOM 679 CB LEU A 46 -4.737 12.016 0.496 1.00 0.00 C ATOM 680 CG LEU A 46 -6.047 11.227 0.483 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.137 11.991 1.219 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.475 10.927 -0.946 1.00 0.00 C ATOM 0 H LEU A 46 -3.809 10.076 1.715 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.664 10.907 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.555 12.364 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.864 12.902 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.884 10.280 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.062 11.415 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.833 12.154 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.299 12.953 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.409 10.365 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.620 11.862 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.703 10.338 -1.441 1.00 0.00 H new ATOM 694 N GLU A 47 -1.791 12.526 1.191 1.00 0.00 N ATOM 695 CA GLU A 47 -0.640 13.412 1.316 1.00 0.00 C ATOM 696 C GLU A 47 0.495 12.963 0.400 1.00 0.00 C ATOM 697 O GLU A 47 1.054 13.762 -0.352 1.00 0.00 O ATOM 698 CB GLU A 47 -0.154 13.451 2.766 1.00 0.00 C ATOM 699 CG GLU A 47 -0.826 14.526 3.604 1.00 0.00 C ATOM 700 CD GLU A 47 -0.864 15.872 2.906 1.00 0.00 C ATOM 701 OE1 GLU A 47 0.048 16.147 2.098 1.00 0.00 O ATOM 702 OE2 GLU A 47 -1.806 16.649 3.166 1.00 0.00 O ATOM 0 H GLU A 47 -2.164 12.191 2.079 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.951 14.413 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.332 12.479 3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.923 13.616 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.844 14.214 3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.296 14.627 4.551 1.00 0.00 H new ATOM 709 N LEU A 48 0.830 11.680 0.469 1.00 0.00 N ATOM 710 CA LEU A 48 1.899 11.123 -0.353 1.00 0.00 C ATOM 711 C LEU A 48 1.619 11.348 -1.836 1.00 0.00 C ATOM 712 O LEU A 48 2.522 11.269 -2.667 1.00 0.00 O ATOM 713 CB LEU A 48 2.057 9.627 -0.074 1.00 0.00 C ATOM 714 CG LEU A 48 2.250 9.235 1.391 1.00 0.00 C ATOM 715 CD1 LEU A 48 1.835 7.789 1.616 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.697 9.448 1.814 1.00 0.00 C ATOM 0 H LEU A 48 0.377 11.005 1.086 1.00 0.00 H new ATOM 0 HA LEU A 48 2.826 11.635 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.175 9.112 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.911 9.260 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 48 1.615 9.874 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.979 7.528 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.784 7.667 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.444 7.135 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.816 9.164 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.351 8.835 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.961 10.498 1.691 1.00 0.00 H new ATOM 728 N GLY A 49 0.360 11.631 -2.159 1.00 0.00 N ATOM 729 CA GLY A 49 -0.016 11.865 -3.541 1.00 0.00 C ATOM 730 C GLY A 49 -0.619 10.638 -4.194 1.00 0.00 C ATOM 731 O GLY A 49 -0.767 10.585 -5.414 1.00 0.00 O ATOM 0 H GLY A 49 -0.405 11.702 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.732 12.685 -3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.862 12.178 -4.105 1.00 0.00 H new ATOM 735 N ALA A 50 -0.966 9.646 -3.380 1.00 0.00 N ATOM 736 CA ALA A 50 -1.556 8.413 -3.885 1.00 0.00 C ATOM 737 C ALA A 50 -3.074 8.528 -3.974 1.00 0.00 C ATOM 738 O ALA A 50 -3.714 9.126 -3.109 1.00 0.00 O ATOM 739 CB ALA A 50 -1.164 7.239 -3.001 1.00 0.00 C ATOM 0 H ALA A 50 -0.848 9.673 -2.367 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.171 8.240 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.612 6.325 -3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.079 7.136 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.520 7.413 -1.986 1.00 0.00 H new ATOM 745 N LYS A 51 -3.646 7.951 -5.026 1.00 0.00 N ATOM 746 CA LYS A 51 -5.089 7.987 -5.229 1.00 0.00 C ATOM 747 C LYS A 51 -5.773 6.854 -4.471 1.00 0.00 C ATOM 748 O LYS A 51 -5.393 5.690 -4.600 1.00 0.00 O ATOM 749 CB LYS A 51 -5.418 7.889 -6.720 1.00 0.00 C ATOM 750 CG LYS A 51 -5.155 9.174 -7.486 1.00 0.00 C ATOM 751 CD LYS A 51 -3.729 9.230 -8.009 1.00 0.00 C ATOM 752 CE LYS A 51 -3.383 10.614 -8.536 1.00 0.00 C ATOM 753 NZ LYS A 51 -3.236 11.606 -7.435 1.00 0.00 N ATOM 0 H LYS A 51 -3.131 7.452 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.461 8.936 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.829 7.085 -7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.467 7.615 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.853 9.251 -8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.339 10.030 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.037 8.960 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.603 8.495 -8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.455 10.564 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.162 10.946 -9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.806 12.477 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.172 11.824 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.627 11.210 -6.690 1.00 0.00 H new ATOM 767 N TYR A 52 -6.785 7.201 -3.684 1.00 0.00 N ATOM 768 CA TYR A 52 -7.522 6.212 -2.905 1.00 0.00 C ATOM 769 C TYR A 52 -8.783 5.770 -3.640 1.00 0.00 C ATOM 770 O TYR A 52 -9.590 6.597 -4.066 1.00 0.00 O ATOM 771 CB TYR A 52 -7.891 6.784 -1.535 1.00 0.00 C ATOM 772 CG TYR A 52 -9.144 6.179 -0.944 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.140 4.890 -0.425 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.333 6.897 -0.905 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.283 4.334 0.115 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.481 6.349 -0.366 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.451 5.067 0.143 1.00 0.00 C ATOM 778 OH TYR A 52 -12.592 4.516 0.681 1.00 0.00 O ATOM 0 H TYR A 52 -7.114 8.159 -3.568 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.880 5.342 -2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.061 6.623 -0.848 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.026 7.862 -1.625 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.227 4.313 -0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.360 7.901 -1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.262 3.330 0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.397 6.921 -0.343 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.326 5.163 0.625 1.00 0.00 H new ATOM 788 N ARG A 53 -8.946 4.459 -3.785 1.00 0.00 N ATOM 789 CA ARG A 53 -10.109 3.904 -4.469 1.00 0.00 C ATOM 790 C ARG A 53 -10.855 2.926 -3.567 1.00 0.00 C ATOM 791 O ARG A 53 -10.259 2.196 -2.774 1.00 0.00 O ATOM 792 CB ARG A 53 -9.681 3.201 -5.758 1.00 0.00 C ATOM 793 CG ARG A 53 -9.032 4.130 -6.772 1.00 0.00 C ATOM 794 CD ARG A 53 -10.068 4.976 -7.494 1.00 0.00 C ATOM 795 NE ARG A 53 -10.416 6.178 -6.740 1.00 0.00 N ATOM 796 CZ ARG A 53 -11.233 7.121 -7.196 1.00 0.00 C ATOM 797 NH1 ARG A 53 -11.783 7.003 -8.396 1.00 0.00 N ATOM 798 NH2 ARG A 53 -11.501 8.185 -6.450 1.00 0.00 N ATOM 0 H ARG A 53 -8.288 3.761 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.780 4.726 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.982 2.402 -5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.554 2.733 -6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.318 4.780 -6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.470 3.543 -7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.684 5.261 -8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.966 4.382 -7.664 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.009 6.300 -5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.579 6.186 -8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.410 7.729 -8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.080 8.279 -5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.128 8.909 -6.801 1.00 0.00 H new ATOM 812 N PRO A 54 -12.190 2.909 -3.688 1.00 0.00 N ATOM 813 CA PRO A 54 -13.047 2.025 -2.891 1.00 0.00 C ATOM 814 C PRO A 54 -12.895 0.561 -3.287 1.00 0.00 C ATOM 815 O PRO A 54 -13.160 -0.339 -2.489 1.00 0.00 O ATOM 816 CB PRO A 54 -14.460 2.521 -3.208 1.00 0.00 C ATOM 817 CG PRO A 54 -14.347 3.156 -4.550 1.00 0.00 C ATOM 818 CD PRO A 54 -12.968 3.752 -4.612 1.00 0.00 C ATOM 0 HA PRO A 54 -12.796 2.060 -1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.175 1.698 -3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.806 3.235 -2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.491 2.421 -5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.110 3.923 -4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.562 3.721 -5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.967 4.796 -4.300 1.00 0.00 H new ATOM 826 N ASP A 55 -12.466 0.328 -4.523 1.00 0.00 N ATOM 827 CA ASP A 55 -12.277 -1.028 -5.024 1.00 0.00 C ATOM 828 C ASP A 55 -11.126 -1.083 -6.023 1.00 0.00 C ATOM 829 O ASP A 55 -10.605 -0.049 -6.442 1.00 0.00 O ATOM 830 CB ASP A 55 -13.563 -1.536 -5.679 1.00 0.00 C ATOM 831 CG ASP A 55 -14.301 -0.444 -6.428 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.840 -0.059 -7.522 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.341 0.026 -5.919 1.00 0.00 O ATOM 0 H ASP A 55 -12.243 1.061 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.031 -1.670 -4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.321 -2.346 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.217 -1.953 -4.913 1.00 0.00 H new ATOM 838 N TRP A 56 -10.734 -2.295 -6.400 1.00 0.00 N ATOM 839 CA TRP A 56 -9.644 -2.484 -7.350 1.00 0.00 C ATOM 840 C TRP A 56 -9.955 -1.805 -8.679 1.00 0.00 C ATOM 841 O TRP A 56 -11.085 -1.859 -9.166 1.00 0.00 O ATOM 842 CB TRP A 56 -9.387 -3.975 -7.573 1.00 0.00 C ATOM 843 CG TRP A 56 -8.061 -4.261 -8.210 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.842 -4.909 -9.392 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.770 -3.910 -7.698 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.493 -4.982 -9.646 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.815 -4.375 -8.622 1.00 0.00 C ATOM 848 CE3 TRP A 56 -6.330 -3.246 -6.550 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.447 -4.198 -8.431 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.972 -3.071 -6.361 1.00 0.00 C ATOM 851 CH2 TRP A 56 -4.044 -3.545 -7.298 1.00 0.00 C ATOM 0 H TRP A 56 -11.155 -3.161 -6.062 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.748 -2.026 -6.931 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -9.441 -4.493 -6.615 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -10.179 -4.383 -8.201 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.615 -5.306 -10.033 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -6.066 -5.417 -10.464 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -7.038 -2.876 -5.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.730 -4.563 -9.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.620 -2.561 -5.477 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.989 -3.392 -7.122 1.00 0.00 H new ATOM 862 N THR A 57 -8.947 -1.166 -9.264 1.00 0.00 N ATOM 863 CA THR A 57 -9.114 -0.476 -10.536 1.00 0.00 C ATOM 864 C THR A 57 -7.975 -0.805 -11.494 1.00 0.00 C ATOM 865 O THR A 57 -6.885 -1.189 -11.069 1.00 0.00 O ATOM 866 CB THR A 57 -9.182 1.051 -10.343 1.00 0.00 C ATOM 867 OG1 THR A 57 -7.928 1.539 -9.854 1.00 0.00 O ATOM 868 CG2 THR A 57 -10.291 1.424 -9.371 1.00 0.00 C ATOM 0 H THR A 57 -8.005 -1.112 -8.876 1.00 0.00 H new ATOM 0 HA THR A 57 -10.055 -0.823 -10.962 1.00 0.00 H new ATOM 0 HB THR A 57 -9.398 1.508 -11.309 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.668 1.032 -9.056 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.320 2.507 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.248 1.076 -9.760 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.101 0.956 -8.405 1.00 0.00 H new ATOM 876 N ARG A 58 -8.233 -0.653 -12.789 1.00 0.00 N ATOM 877 CA ARG A 58 -7.229 -0.935 -13.807 1.00 0.00 C ATOM 878 C ARG A 58 -5.978 -0.089 -13.586 1.00 0.00 C ATOM 879 O ARG A 58 -4.871 -0.496 -13.939 1.00 0.00 O ATOM 880 CB ARG A 58 -7.797 -0.668 -15.202 1.00 0.00 C ATOM 881 CG ARG A 58 -6.791 -0.882 -16.321 1.00 0.00 C ATOM 882 CD ARG A 58 -6.036 0.398 -16.643 1.00 0.00 C ATOM 883 NE ARG A 58 -4.855 0.145 -17.465 1.00 0.00 N ATOM 884 CZ ARG A 58 -4.157 1.104 -18.064 1.00 0.00 C ATOM 885 NH1 ARG A 58 -4.520 2.373 -17.933 1.00 0.00 N ATOM 886 NH2 ARG A 58 -3.094 0.795 -18.795 1.00 0.00 N ATOM 0 H ARG A 58 -9.130 -0.336 -13.158 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.955 -1.987 -13.729 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.655 -1.320 -15.367 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.163 0.358 -15.246 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.084 -1.660 -16.033 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.307 -1.236 -17.213 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.699 1.089 -17.164 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.735 0.884 -15.715 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.550 -0.821 -17.586 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.337 2.615 -17.371 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.983 3.107 -18.394 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.812 -0.180 -18.898 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.559 1.532 -19.254 1.00 0.00 H new ATOM 900 N ASP A 59 -6.163 1.089 -12.999 1.00 0.00 N ATOM 901 CA ASP A 59 -5.050 1.992 -12.730 1.00 0.00 C ATOM 902 C ASP A 59 -4.369 1.637 -11.412 1.00 0.00 C ATOM 903 O ASP A 59 -3.290 2.143 -11.104 1.00 0.00 O ATOM 904 CB ASP A 59 -5.538 3.440 -12.693 1.00 0.00 C ATOM 905 CG ASP A 59 -6.225 3.853 -13.980 1.00 0.00 C ATOM 906 OD1 ASP A 59 -7.153 3.139 -14.412 1.00 0.00 O ATOM 907 OD2 ASP A 59 -5.833 4.890 -14.556 1.00 0.00 O ATOM 0 H ASP A 59 -7.073 1.440 -12.701 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.323 1.883 -13.535 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.229 3.566 -11.859 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.691 4.101 -12.508 1.00 0.00 H new ATOM 912 N SER A 60 -5.008 0.766 -10.637 1.00 0.00 N ATOM 913 CA SER A 60 -4.466 0.348 -9.350 1.00 0.00 C ATOM 914 C SER A 60 -3.070 -0.244 -9.514 1.00 0.00 C ATOM 915 O SER A 60 -2.871 -1.201 -10.264 1.00 0.00 O ATOM 916 CB SER A 60 -5.392 -0.677 -8.692 1.00 0.00 C ATOM 917 OG SER A 60 -6.660 -0.111 -8.409 1.00 0.00 O ATOM 0 H SER A 60 -5.901 0.337 -10.878 1.00 0.00 H new ATOM 0 HA SER A 60 -4.396 1.228 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.513 -1.538 -9.350 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.939 -1.042 -7.770 1.00 0.00 H new ATOM 0 HG SER A 60 -6.606 0.416 -7.584 1.00 0.00 H new ATOM 923 N THR A 61 -2.103 0.332 -8.807 1.00 0.00 N ATOM 924 CA THR A 61 -0.724 -0.136 -8.874 1.00 0.00 C ATOM 925 C THR A 61 -0.340 -0.897 -7.610 1.00 0.00 C ATOM 926 O THR A 61 0.330 -1.925 -7.707 1.00 0.00 O ATOM 927 CB THR A 61 0.258 1.034 -9.073 1.00 0.00 C ATOM 928 OG1 THR A 61 0.247 1.884 -7.920 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.108 1.842 -10.309 1.00 0.00 C ATOM 0 H THR A 61 -2.249 1.124 -8.181 1.00 0.00 H new ATOM 0 HA THR A 61 -0.659 -0.805 -9.732 1.00 0.00 H new ATOM 0 HB THR A 61 1.258 0.622 -9.210 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.546 2.782 -8.173 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.599 2.663 -10.430 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.071 1.199 -11.188 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.115 2.244 -10.196 1.00 0.00 H new ATOM 937 N HIS A 62 -0.766 -0.385 -6.465 1.00 0.00 N ATOM 938 CA HIS A 62 -0.461 -1.026 -5.198 1.00 0.00 C ATOM 939 C HIS A 62 -1.750 -1.222 -4.398 1.00 0.00 C ATOM 940 O HIS A 62 -2.721 -0.477 -4.531 1.00 0.00 O ATOM 941 CB HIS A 62 0.599 -0.234 -4.430 1.00 0.00 C ATOM 942 CG HIS A 62 1.881 -0.018 -5.198 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.976 0.852 -6.270 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.119 -0.568 -5.037 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.219 0.819 -6.727 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.926 -0.062 -5.962 1.00 0.00 N ATOM 0 H HIS A 62 -1.321 0.468 -6.388 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.034 -2.012 -5.379 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.185 0.736 -4.155 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.827 -0.758 -3.502 1.00 0.00 H new ATOM 0 HD1 HIS A 62 1.218 1.422 -6.645 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.396 -1.292 -4.285 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.605 1.389 -7.559 1.00 0.00 H new ATOM 954 N LEU A 63 -1.737 -2.250 -3.556 1.00 0.00 N ATOM 955 CA LEU A 63 -2.890 -2.570 -2.722 1.00 0.00 C ATOM 956 C LEU A 63 -2.513 -2.558 -1.244 1.00 0.00 C ATOM 957 O LEU A 63 -1.547 -3.204 -0.835 1.00 0.00 O ATOM 958 CB LEU A 63 -3.457 -3.938 -3.104 1.00 0.00 C ATOM 959 CG LEU A 63 -4.299 -4.638 -2.036 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.554 -3.834 -1.734 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.660 -6.048 -2.481 1.00 0.00 C ATOM 0 H LEU A 63 -0.941 -2.876 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.651 -1.808 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.068 -3.819 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.626 -4.592 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.708 -4.707 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.140 -4.347 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.274 -2.845 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.148 -3.732 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.259 -6.531 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.232 -6.002 -3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.748 -6.622 -2.645 1.00 0.00 H new ATOM 973 N ILE A 64 -3.281 -1.822 -0.448 1.00 0.00 N ATOM 974 CA ILE A 64 -3.028 -1.729 0.984 1.00 0.00 C ATOM 975 C ILE A 64 -3.794 -2.804 1.748 1.00 0.00 C ATOM 976 O ILE A 64 -4.980 -2.647 2.040 1.00 0.00 O ATOM 977 CB ILE A 64 -3.421 -0.345 1.537 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.870 0.762 0.636 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.911 -0.180 2.960 1.00 0.00 C ATOM 980 CD1 ILE A 64 -1.359 0.810 0.592 1.00 0.00 C ATOM 0 H ILE A 64 -4.084 -1.281 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.957 -1.878 1.125 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.508 -0.270 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.250 0.619 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.246 1.724 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.196 0.802 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.346 -0.953 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.825 -0.271 2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.040 1.618 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.971 0.984 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.976 -0.138 0.214 1.00 0.00 H new ATOM 992 N CYS A 65 -3.108 -3.895 2.070 1.00 0.00 N ATOM 993 CA CYS A 65 -3.722 -4.997 2.801 1.00 0.00 C ATOM 994 C CYS A 65 -3.350 -4.943 4.279 1.00 0.00 C ATOM 995 O CYS A 65 -2.235 -4.561 4.635 1.00 0.00 O ATOM 996 CB CYS A 65 -3.292 -6.337 2.203 1.00 0.00 C ATOM 997 SG CYS A 65 -4.225 -7.756 2.822 1.00 0.00 S ATOM 0 H CYS A 65 -2.126 -4.040 1.836 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.804 -4.900 2.713 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.400 -6.290 1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.234 -6.493 2.412 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.517 -8.386 3.712 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.290 -5.328 5.136 1.00 0.00 N ATOM 1004 CA ALA A 66 -4.061 -5.324 6.575 1.00 0.00 C ATOM 1005 C ALA A 66 -3.515 -6.667 7.048 1.00 0.00 C ATOM 1006 O ALA A 66 -2.756 -6.734 8.015 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.347 -4.985 7.314 1.00 0.00 C ATOM 0 H ALA A 66 -5.218 -5.647 4.858 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.316 -4.560 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.161 -4.986 8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.694 -3.998 7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.109 -5.728 7.078 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.907 -7.735 6.360 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.458 -9.077 6.711 1.00 0.00 C ATOM 1015 C PHE A 67 -3.728 -10.055 5.572 1.00 0.00 C ATOM 1016 O PHE A 67 -4.606 -9.830 4.740 1.00 0.00 O ATOM 1017 CB PHE A 67 -4.158 -9.555 7.985 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.564 -9.044 8.125 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -6.596 -9.608 7.392 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.853 -8.001 8.989 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.890 -9.139 7.518 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -7.145 -7.528 9.120 1.00 0.00 C ATOM 1023 CZ PHE A 67 -8.165 -8.099 8.384 1.00 0.00 C ATOM 0 H PHE A 67 -4.534 -7.697 5.557 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.383 -9.039 6.888 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.174 -10.645 7.994 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.577 -9.237 8.850 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.387 -10.423 6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.059 -7.552 9.567 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.685 -9.585 6.940 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.357 -6.713 9.797 1.00 0.00 H new ATOM 0 HZ PHE A 67 -9.176 -7.733 8.486 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.965 -11.143 5.541 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.121 -12.157 4.506 1.00 0.00 C ATOM 1035 C ALA A 68 -4.387 -12.977 4.727 1.00 0.00 C ATOM 1036 O ALA A 68 -5.171 -12.694 5.633 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.901 -13.066 4.469 1.00 0.00 C ATOM 0 H ALA A 68 -2.232 -11.344 6.221 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.211 -11.649 3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.031 -13.819 3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.012 -12.473 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.785 -13.558 5.434 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.582 -13.994 3.894 1.00 0.00 N ATOM 1044 CA ASN A 69 -5.754 -14.855 3.999 1.00 0.00 C ATOM 1045 C ASN A 69 -7.037 -14.054 3.794 1.00 0.00 C ATOM 1046 O ASN A 69 -8.076 -14.363 4.379 1.00 0.00 O ATOM 1047 CB ASN A 69 -5.785 -15.547 5.363 1.00 0.00 C ATOM 1048 CG ASN A 69 -4.509 -16.316 5.649 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -4.326 -17.436 5.172 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -3.620 -15.716 6.432 1.00 0.00 N ATOM 0 H ASN A 69 -3.943 -14.242 3.139 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.689 -15.612 3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.939 -14.801 6.143 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.634 -16.229 5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.743 -16.184 6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.814 -14.787 6.805 1.00 0.00 H new ATOM 1057 N THR A 70 -6.957 -13.023 2.959 1.00 0.00 N ATOM 1058 CA THR A 70 -8.110 -12.177 2.676 1.00 0.00 C ATOM 1059 C THR A 70 -8.613 -12.390 1.253 1.00 0.00 C ATOM 1060 O THR A 70 -7.882 -12.839 0.371 1.00 0.00 O ATOM 1061 CB THR A 70 -7.775 -10.686 2.872 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.415 -10.437 2.498 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.992 -10.268 4.318 1.00 0.00 C ATOM 0 H THR A 70 -6.105 -12.753 2.467 1.00 0.00 H new ATOM 0 HA THR A 70 -8.891 -12.462 3.381 1.00 0.00 H new ATOM 0 HB THR A 70 -8.440 -10.100 2.237 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.882 -10.259 3.301 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.749 -9.212 4.432 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.034 -10.432 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.348 -10.860 4.968 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.893 -12.061 1.022 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.522 -12.207 -0.294 1.00 0.00 C ATOM 1073 C PRO A 71 -9.979 -11.209 -1.310 1.00 0.00 C ATOM 1074 O PRO A 71 -10.106 -11.406 -2.519 1.00 0.00 O ATOM 1075 CB PRO A 71 -12.001 -11.932 -0.012 1.00 0.00 C ATOM 1076 CG PRO A 71 -12.002 -11.074 1.206 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.824 -11.520 2.027 1.00 0.00 C ATOM 0 HA PRO A 71 -10.332 -13.188 -0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.477 -11.427 -0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.551 -12.858 0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.917 -10.020 0.941 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.932 -11.188 1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.382 -10.691 2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.108 -12.275 2.760 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.373 -10.136 -0.813 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.808 -9.106 -1.677 1.00 0.00 C ATOM 1087 C LYS A 72 -7.315 -9.334 -1.891 1.00 0.00 C ATOM 1088 O LYS A 72 -6.689 -8.675 -2.722 1.00 0.00 O ATOM 1089 CB LYS A 72 -9.042 -7.720 -1.074 1.00 0.00 C ATOM 1090 CG LYS A 72 -8.940 -6.591 -2.085 1.00 0.00 C ATOM 1091 CD LYS A 72 -10.281 -6.306 -2.740 1.00 0.00 C ATOM 1092 CE LYS A 72 -10.391 -4.854 -3.178 1.00 0.00 C ATOM 1093 NZ LYS A 72 -9.383 -4.511 -4.219 1.00 0.00 N ATOM 0 H LYS A 72 -9.260 -9.957 0.185 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.309 -9.164 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.030 -7.696 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.315 -7.551 -0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.577 -5.690 -1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.208 -6.851 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.411 -6.958 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.085 -6.538 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.392 -4.667 -3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.257 -4.203 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.742 -3.731 -4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.496 -4.220 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.207 -5.342 -4.819 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.751 -10.271 -1.137 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.331 -10.585 -1.244 1.00 0.00 C ATOM 1109 C TYR A 73 -5.059 -11.479 -2.450 1.00 0.00 C ATOM 1110 O TYR A 73 -4.125 -11.242 -3.215 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.841 -11.269 0.034 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.501 -11.953 -0.121 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -2.338 -11.213 -0.293 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -3.399 -13.338 -0.095 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -1.111 -11.833 -0.435 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -2.176 -13.967 -0.235 1.00 0.00 C ATOM 1117 CZ TYR A 73 -1.036 -13.210 -0.405 1.00 0.00 C ATOM 1118 OH TYR A 73 0.184 -13.831 -0.545 1.00 0.00 O ATOM 0 H TYR A 73 -7.255 -10.826 -0.445 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.787 -9.650 -1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.771 -10.527 0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.581 -12.005 0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.394 -10.135 -0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.290 -13.934 0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.216 -11.243 -0.569 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.114 -15.045 -0.211 1.00 0.00 H new ATOM 0 HH TYR A 73 0.064 -14.803 -0.500 1.00 0.00 H new ATOM 1128 N SER A 74 -5.884 -12.509 -2.612 1.00 0.00 N ATOM 1129 CA SER A 74 -5.733 -13.442 -3.722 1.00 0.00 C ATOM 1130 C SER A 74 -6.286 -12.845 -5.012 1.00 0.00 C ATOM 1131 O SER A 74 -5.743 -13.068 -6.094 1.00 0.00 O ATOM 1132 CB SER A 74 -6.444 -14.760 -3.409 1.00 0.00 C ATOM 1133 OG SER A 74 -5.821 -15.846 -4.072 1.00 0.00 O ATOM 0 H SER A 74 -6.664 -12.718 -1.988 1.00 0.00 H new ATOM 0 HA SER A 74 -4.669 -13.636 -3.859 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.436 -14.934 -2.333 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.488 -14.695 -3.714 1.00 0.00 H new ATOM 0 HG SER A 74 -6.293 -16.677 -3.854 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.371 -12.087 -4.888 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.999 -11.458 -6.045 1.00 0.00 C ATOM 1141 C GLN A 75 -6.996 -10.603 -6.811 1.00 0.00 C ATOM 1142 O GLN A 75 -6.847 -10.741 -8.026 1.00 0.00 O ATOM 1143 CB GLN A 75 -9.186 -10.601 -5.603 1.00 0.00 C ATOM 1144 CG GLN A 75 -10.122 -10.225 -6.741 1.00 0.00 C ATOM 1145 CD GLN A 75 -11.218 -11.250 -6.957 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -11.642 -11.930 -6.021 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -11.683 -11.368 -8.195 1.00 0.00 N ATOM 0 H GLN A 75 -7.833 -11.894 -4.000 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.356 -12.247 -6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.750 -11.141 -4.843 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.812 -9.690 -5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.573 -9.255 -6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.546 -10.116 -7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.303 -10.784 -8.940 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.420 -12.042 -8.401 1.00 0.00 H new ATOM 1156 N VAL A 76 -6.309 -9.719 -6.095 1.00 0.00 N ATOM 1157 CA VAL A 76 -5.319 -8.842 -6.707 1.00 0.00 C ATOM 1158 C VAL A 76 -4.007 -9.579 -6.952 1.00 0.00 C ATOM 1159 O VAL A 76 -3.147 -9.108 -7.698 1.00 0.00 O ATOM 1160 CB VAL A 76 -5.045 -7.606 -5.830 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -4.111 -6.640 -6.544 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.349 -6.919 -5.454 1.00 0.00 C ATOM 0 H VAL A 76 -6.420 -9.591 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.733 -8.516 -7.661 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.557 -7.935 -4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.929 -5.773 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.165 -7.139 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.568 -6.315 -7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.136 -6.048 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.868 -6.602 -6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.979 -7.614 -4.899 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.860 -10.738 -6.320 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.652 -11.543 -6.469 1.00 0.00 C ATOM 1174 C LEU A 77 -2.557 -12.127 -7.875 1.00 0.00 C ATOM 1175 O LEU A 77 -1.495 -12.109 -8.494 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.635 -12.669 -5.434 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.519 -13.703 -5.586 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -0.170 -13.085 -5.255 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.787 -14.910 -4.698 1.00 0.00 C ATOM 0 H LEU A 77 -4.562 -11.142 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.791 -10.895 -6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.557 -12.223 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.592 -13.188 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.498 -14.037 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.612 -13.836 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.025 -12.253 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.178 -12.723 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.983 -15.636 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.836 -14.592 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.735 -15.368 -4.982 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.677 -12.643 -8.373 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.698 -13.223 -9.703 1.00 0.00 C ATOM 1193 C GLY A 78 -3.678 -12.171 -10.794 1.00 0.00 C ATOM 1194 O GLY A 78 -3.052 -12.361 -11.838 1.00 0.00 O ATOM 0 H GLY A 78 -4.569 -12.670 -7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.838 -13.882 -9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.590 -13.840 -9.813 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.364 -11.059 -10.556 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.423 -9.973 -11.528 1.00 0.00 C ATOM 1200 C LEU A 79 -3.022 -9.515 -11.919 1.00 0.00 C ATOM 1201 O LEU A 79 -2.745 -9.261 -13.090 1.00 0.00 O ATOM 1202 CB LEU A 79 -5.217 -8.796 -10.958 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.730 -8.991 -10.859 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.352 -7.908 -9.991 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.360 -8.995 -12.244 1.00 0.00 C ATOM 0 H LEU A 79 -4.887 -10.885 -9.698 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.925 -10.344 -12.421 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.834 -8.574 -9.962 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.024 -7.920 -11.577 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.922 -9.957 -10.392 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.429 -8.063 -9.932 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.924 -7.953 -8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.150 -6.930 -10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.437 -9.135 -12.153 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.158 -8.045 -12.738 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.937 -9.808 -12.834 1.00 0.00 H new ATOM 1217 N GLY A 80 -2.140 -9.414 -10.929 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.777 -8.989 -11.190 1.00 0.00 C ATOM 1219 C GLY A 80 -0.441 -7.674 -10.516 1.00 0.00 C ATOM 1220 O GLY A 80 0.489 -6.979 -10.924 1.00 0.00 O ATOM 0 H GLY A 80 -2.345 -9.619 -9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.087 -9.758 -10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.630 -8.891 -12.266 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.201 -7.330 -9.481 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.964 -6.089 -8.766 1.00 0.00 C ATOM 1226 C GLY A 81 0.094 -6.233 -7.690 1.00 0.00 C ATOM 1227 O GLY A 81 0.483 -7.346 -7.337 1.00 0.00 O ATOM 0 H GLY A 81 -1.977 -7.888 -9.125 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.656 -5.319 -9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.896 -5.751 -8.312 1.00 0.00 H new ATOM 1231 N ARG A 82 0.563 -5.104 -7.169 1.00 0.00 N ATOM 1232 CA ARG A 82 1.584 -5.109 -6.129 1.00 0.00 C ATOM 1233 C ARG A 82 0.948 -5.116 -4.742 1.00 0.00 C ATOM 1234 O ARG A 82 0.548 -4.072 -4.226 1.00 0.00 O ATOM 1235 CB ARG A 82 2.498 -3.891 -6.276 1.00 0.00 C ATOM 1236 CG ARG A 82 3.908 -4.121 -5.757 1.00 0.00 C ATOM 1237 CD ARG A 82 4.920 -3.252 -6.488 1.00 0.00 C ATOM 1238 NE ARG A 82 6.294 -3.659 -6.208 1.00 0.00 N ATOM 1239 CZ ARG A 82 7.349 -3.180 -6.858 1.00 0.00 C ATOM 1240 NH1 ARG A 82 7.188 -2.282 -7.820 1.00 0.00 N ATOM 1241 NH2 ARG A 82 8.569 -3.599 -6.545 1.00 0.00 N ATOM 0 H ARG A 82 0.252 -4.174 -7.450 1.00 0.00 H new ATOM 0 HA ARG A 82 2.177 -6.016 -6.242 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.549 -3.610 -7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.056 -3.049 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.944 -3.903 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.174 -5.171 -5.877 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.737 -3.307 -7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.783 -2.211 -6.194 1.00 0.00 H new ATOM 0 HE ARG A 82 6.452 -4.349 -5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.252 -1.957 -8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.000 -1.916 -8.317 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.697 -4.289 -5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.378 -3.231 -7.045 1.00 0.00 H new ATOM 1255 N ILE A 83 0.859 -6.299 -4.144 1.00 0.00 N ATOM 1256 CA ILE A 83 0.272 -6.442 -2.817 1.00 0.00 C ATOM 1257 C ILE A 83 1.304 -6.174 -1.728 1.00 0.00 C ATOM 1258 O ILE A 83 2.278 -6.914 -1.584 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.321 -7.848 -2.612 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.235 -8.216 -3.783 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -1.083 -7.915 -1.297 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.587 -9.686 -3.836 1.00 0.00 C ATOM 0 H ILE A 83 1.186 -7.172 -4.557 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.528 -5.705 -2.745 1.00 0.00 H new ATOM 0 HB ILE A 83 0.496 -8.568 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.153 -7.633 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.748 -7.933 -4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.496 -8.915 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.406 -7.692 -0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.893 -7.186 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.237 -9.874 -4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.675 -10.275 -3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.103 -9.970 -2.919 1.00 0.00 H new ATOM 1274 N VAL A 84 1.085 -5.111 -0.960 1.00 0.00 N ATOM 1275 CA VAL A 84 1.995 -4.746 0.119 1.00 0.00 C ATOM 1276 C VAL A 84 1.228 -4.397 1.390 1.00 0.00 C ATOM 1277 O VAL A 84 0.037 -4.088 1.343 1.00 0.00 O ATOM 1278 CB VAL A 84 2.883 -3.551 -0.275 1.00 0.00 C ATOM 1279 CG1 VAL A 84 3.782 -3.918 -1.447 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.027 -2.338 -0.608 1.00 0.00 C ATOM 0 H VAL A 84 0.285 -4.487 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 84 2.628 -5.613 0.306 1.00 0.00 H new ATOM 0 HB VAL A 84 3.518 -3.297 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.402 -3.062 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.420 -4.756 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.168 -4.199 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.671 -1.503 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.366 -2.577 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.430 -2.064 0.262 1.00 0.00 H new ATOM 1290 N ARG A 85 1.919 -4.448 2.524 1.00 0.00 N ATOM 1291 CA ARG A 85 1.303 -4.138 3.808 1.00 0.00 C ATOM 1292 C ARG A 85 1.191 -2.630 4.008 1.00 0.00 C ATOM 1293 O ARG A 85 1.795 -1.849 3.273 1.00 0.00 O ATOM 1294 CB ARG A 85 2.114 -4.756 4.949 1.00 0.00 C ATOM 1295 CG ARG A 85 2.270 -6.263 4.839 1.00 0.00 C ATOM 1296 CD ARG A 85 3.555 -6.740 5.497 1.00 0.00 C ATOM 1297 NE ARG A 85 3.760 -8.175 5.324 1.00 0.00 N ATOM 1298 CZ ARG A 85 4.900 -8.795 5.609 1.00 0.00 C ATOM 1299 NH1 ARG A 85 5.932 -8.109 6.079 1.00 0.00 N ATOM 1300 NH2 ARG A 85 5.009 -10.105 5.424 1.00 0.00 N ATOM 0 H ARG A 85 2.906 -4.701 2.579 1.00 0.00 H new ATOM 0 HA ARG A 85 0.299 -4.563 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.103 -4.298 4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.632 -4.518 5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.417 -6.753 5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.268 -6.554 3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.401 -6.200 5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.527 -6.504 6.561 1.00 0.00 H new ATOM 0 HE ARG A 85 2.985 -8.732 4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.852 -7.102 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.806 -8.588 6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.217 -10.637 5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.885 -10.580 5.643 1.00 0.00 H new ATOM 1314 N LYS A 86 0.413 -2.226 5.007 1.00 0.00 N ATOM 1315 CA LYS A 86 0.221 -0.812 5.305 1.00 0.00 C ATOM 1316 C LYS A 86 1.527 -0.171 5.763 1.00 0.00 C ATOM 1317 O LYS A 86 1.769 1.009 5.513 1.00 0.00 O ATOM 1318 CB LYS A 86 -0.851 -0.638 6.383 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.559 -1.404 7.661 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.839 -1.820 8.367 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.579 -2.190 9.819 1.00 0.00 C ATOM 1322 NZ LYS A 86 -2.821 -2.640 10.507 1.00 0.00 N ATOM 0 H LYS A 86 -0.095 -2.859 5.624 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.107 -0.315 4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.948 0.422 6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.811 -0.965 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.033 -2.289 7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.041 -0.785 8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.562 -1.006 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.283 -2.669 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.832 -2.982 9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.164 -1.330 10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.629 -2.769 11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.565 -1.924 10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.138 -3.542 10.097 1.00 0.00 H new ATOM 1336 N GLU A 87 2.364 -0.957 6.433 1.00 0.00 N ATOM 1337 CA GLU A 87 3.645 -0.464 6.925 1.00 0.00 C ATOM 1338 C GLU A 87 4.314 0.437 5.891 1.00 0.00 C ATOM 1339 O GLU A 87 5.072 1.343 6.240 1.00 0.00 O ATOM 1340 CB GLU A 87 4.568 -1.634 7.271 1.00 0.00 C ATOM 1341 CG GLU A 87 5.556 -1.322 8.382 1.00 0.00 C ATOM 1342 CD GLU A 87 4.995 -1.613 9.761 1.00 0.00 C ATOM 1343 OE1 GLU A 87 3.811 -1.296 9.999 1.00 0.00 O ATOM 1344 OE2 GLU A 87 5.741 -2.158 10.601 1.00 0.00 O ATOM 0 H GLU A 87 2.178 -1.937 6.647 1.00 0.00 H new ATOM 0 HA GLU A 87 3.459 0.121 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.961 -2.490 7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.119 -1.927 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.463 -1.908 8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.842 -0.272 8.324 1.00 0.00 H new ATOM 1351 N TRP A 88 4.030 0.182 4.619 1.00 0.00 N ATOM 1352 CA TRP A 88 4.604 0.969 3.534 1.00 0.00 C ATOM 1353 C TRP A 88 4.158 2.424 3.622 1.00 0.00 C ATOM 1354 O TRP A 88 4.977 3.340 3.551 1.00 0.00 O ATOM 1355 CB TRP A 88 4.202 0.380 2.181 1.00 0.00 C ATOM 1356 CG TRP A 88 4.856 1.063 1.018 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.196 1.228 0.812 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.198 1.675 -0.096 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.411 1.905 -0.364 1.00 0.00 N ATOM 1360 CE2 TRP A 88 5.201 2.190 -0.941 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.860 1.836 -0.465 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.905 2.855 -2.128 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.568 2.496 -1.643 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.587 2.998 -2.464 1.00 0.00 C ATOM 0 H TRP A 88 3.405 -0.564 4.314 1.00 0.00 H new ATOM 0 HA TRP A 88 5.689 0.935 3.629 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.459 -0.679 2.163 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.120 0.447 2.071 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.972 0.878 1.476 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.323 2.155 -0.746 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.068 1.451 0.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.689 3.244 -2.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.537 2.627 -1.936 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.326 3.508 -3.380 1.00 0.00 H new ATOM 1375 N VAL A 89 2.854 2.630 3.778 1.00 0.00 N ATOM 1376 CA VAL A 89 2.299 3.975 3.876 1.00 0.00 C ATOM 1377 C VAL A 89 2.688 4.634 5.195 1.00 0.00 C ATOM 1378 O VAL A 89 3.154 5.774 5.218 1.00 0.00 O ATOM 1379 CB VAL A 89 0.763 3.959 3.756 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.192 5.342 4.025 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.342 3.456 2.384 1.00 0.00 C ATOM 0 H VAL A 89 2.162 1.883 3.839 1.00 0.00 H new ATOM 0 HA VAL A 89 2.714 4.550 3.049 1.00 0.00 H new ATOM 0 HB VAL A 89 0.364 3.276 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.894 5.311 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.464 5.659 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.596 6.049 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.746 3.451 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.750 4.112 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.719 2.444 2.236 1.00 0.00 H new ATOM 1391 N LEU A 90 2.494 3.910 6.292 1.00 0.00 N ATOM 1392 CA LEU A 90 2.825 4.424 7.616 1.00 0.00 C ATOM 1393 C LEU A 90 4.217 5.048 7.626 1.00 0.00 C ATOM 1394 O LEU A 90 4.376 6.230 7.930 1.00 0.00 O ATOM 1395 CB LEU A 90 2.748 3.303 8.654 1.00 0.00 C ATOM 1396 CG LEU A 90 1.423 2.543 8.724 1.00 0.00 C ATOM 1397 CD1 LEU A 90 1.453 1.522 9.851 1.00 0.00 C ATOM 1398 CD2 LEU A 90 0.263 3.510 8.909 1.00 0.00 C ATOM 0 H LEU A 90 2.109 2.965 6.291 1.00 0.00 H new ATOM 0 HA LEU A 90 2.099 5.197 7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.544 2.588 8.446 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.951 3.730 9.636 1.00 0.00 H new ATOM 0 HG LEU A 90 1.280 2.012 7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.502 0.991 9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.260 0.811 9.676 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.619 2.032 10.800 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.672 2.952 8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.399 4.069 9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.229 4.203 8.068 1.00 0.00 H new ATOM 1410 N ASP A 91 5.221 4.245 7.290 1.00 0.00 N ATOM 1411 CA ASP A 91 6.600 4.719 7.257 1.00 0.00 C ATOM 1412 C ASP A 91 6.762 5.849 6.244 1.00 0.00 C ATOM 1413 O ASP A 91 7.375 6.876 6.539 1.00 0.00 O ATOM 1414 CB ASP A 91 7.548 3.569 6.913 1.00 0.00 C ATOM 1415 CG ASP A 91 7.608 2.522 8.008 1.00 0.00 C ATOM 1416 OD1 ASP A 91 8.061 2.854 9.123 1.00 0.00 O ATOM 1417 OD2 ASP A 91 7.202 1.370 7.749 1.00 0.00 O ATOM 0 H ASP A 91 5.106 3.264 7.037 1.00 0.00 H new ATOM 0 HA ASP A 91 6.851 5.103 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.224 3.101 5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.548 3.966 6.738 1.00 0.00 H new ATOM 1422 N CYS A 92 6.211 5.651 5.052 1.00 0.00 N ATOM 1423 CA CYS A 92 6.296 6.653 3.995 1.00 0.00 C ATOM 1424 C CYS A 92 5.823 8.013 4.496 1.00 0.00 C ATOM 1425 O CYS A 92 6.395 9.031 4.107 1.00 0.00 O ATOM 1426 CB CYS A 92 5.462 6.222 2.787 1.00 0.00 C ATOM 1427 SG CYS A 92 6.294 5.040 1.700 1.00 0.00 S ATOM 0 H CYS A 92 5.701 4.807 4.793 1.00 0.00 H new ATOM 0 HA CYS A 92 7.340 6.740 3.694 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.530 5.780 3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.196 7.107 2.208 1.00 0.00 H new ATOM 0 HG CYS A 92 6.037 3.829 2.098 1.00 0.00 H new ATOM 1433 N HIS A 93 4.799 8.003 5.337 1.00 0.00 N ATOM 1434 CA HIS A 93 4.262 9.241 5.877 1.00 0.00 C ATOM 1435 C HIS A 93 5.137 9.715 7.040 1.00 0.00 C ATOM 1436 O HIS A 93 5.676 10.822 7.041 1.00 0.00 O ATOM 1437 CB HIS A 93 2.794 9.070 6.271 1.00 0.00 C ATOM 1438 CG HIS A 93 2.116 10.353 6.688 1.00 0.00 C ATOM 1439 ND1 HIS A 93 2.082 10.792 8.000 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.448 11.288 5.952 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.420 11.939 8.040 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.028 12.244 6.770 1.00 0.00 N ATOM 0 H HIS A 93 4.327 7.158 5.658 1.00 0.00 H new ATOM 0 HA HIS A 93 4.284 10.016 5.111 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.250 8.641 5.429 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.730 8.354 7.090 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.288 11.255 4.884 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.225 12.529 8.923 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.499 13.071 6.494 1.00 0.00 H new ATOM 1450 N ARG A 94 5.266 8.845 8.036 1.00 0.00 N ATOM 1451 CA ARG A 94 6.066 9.150 9.217 1.00 0.00 C ATOM 1452 C ARG A 94 7.398 9.780 8.823 1.00 0.00 C ATOM 1453 O ARG A 94 7.880 10.701 9.482 1.00 0.00 O ATOM 1454 CB ARG A 94 6.312 7.879 10.033 1.00 0.00 C ATOM 1455 CG ARG A 94 6.897 8.145 11.411 1.00 0.00 C ATOM 1456 CD ARG A 94 5.816 8.529 12.410 1.00 0.00 C ATOM 1457 NE ARG A 94 6.354 9.297 13.530 1.00 0.00 N ATOM 1458 CZ ARG A 94 5.621 9.709 14.558 1.00 0.00 C ATOM 1459 NH1 ARG A 94 4.327 9.428 14.608 1.00 0.00 N ATOM 1460 NH2 ARG A 94 6.183 10.403 15.539 1.00 0.00 N ATOM 0 H ARG A 94 4.828 7.924 8.049 1.00 0.00 H new ATOM 0 HA ARG A 94 5.512 9.864 9.827 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.371 7.341 10.145 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.988 7.227 9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.420 7.256 11.763 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.635 8.945 11.346 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.047 9.114 11.905 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.334 7.627 12.787 1.00 0.00 H new ATOM 0 HE ARG A 94 7.347 9.530 13.522 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.892 8.894 13.856 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.766 9.746 15.399 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.179 10.621 15.504 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.619 10.719 16.328 1.00 0.00 H new ATOM 1474 N MET A 95 7.989 9.277 7.743 1.00 0.00 N ATOM 1475 CA MET A 95 9.265 9.792 7.261 1.00 0.00 C ATOM 1476 C MET A 95 9.062 10.711 6.060 1.00 0.00 C ATOM 1477 O MET A 95 9.989 11.396 5.628 1.00 0.00 O ATOM 1478 CB MET A 95 10.195 8.638 6.884 1.00 0.00 C ATOM 1479 CG MET A 95 10.388 7.623 7.999 1.00 0.00 C ATOM 1480 SD MET A 95 11.813 6.553 7.726 1.00 0.00 S ATOM 1481 CE MET A 95 11.037 5.156 6.916 1.00 0.00 C ATOM 0 H MET A 95 7.604 8.514 7.186 1.00 0.00 H new ATOM 0 HA MET A 95 9.722 10.370 8.064 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.793 8.130 6.007 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.166 9.043 6.600 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.509 8.148 8.946 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.490 7.011 8.087 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.737 4.711 6.209 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.754 4.414 7.662 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.147 5.492 6.383 1.00 0.00 H new ATOM 1491 N ARG A 96 7.845 10.720 5.527 1.00 0.00 N ATOM 1492 CA ARG A 96 7.522 11.553 4.375 1.00 0.00 C ATOM 1493 C ARG A 96 8.572 11.396 3.279 1.00 0.00 C ATOM 1494 O ARG A 96 8.998 12.377 2.669 1.00 0.00 O ATOM 1495 CB ARG A 96 7.421 13.021 4.793 1.00 0.00 C ATOM 1496 CG ARG A 96 6.680 13.231 6.103 1.00 0.00 C ATOM 1497 CD ARG A 96 6.815 14.664 6.596 1.00 0.00 C ATOM 1498 NE ARG A 96 8.048 14.869 7.351 1.00 0.00 N ATOM 1499 CZ ARG A 96 8.264 14.358 8.558 1.00 0.00 C ATOM 1500 NH1 ARG A 96 7.334 13.615 9.143 1.00 0.00 N ATOM 1501 NH2 ARG A 96 9.412 14.590 9.182 1.00 0.00 N ATOM 0 H ARG A 96 7.066 10.160 5.874 1.00 0.00 H new ATOM 0 HA ARG A 96 6.559 11.227 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.426 13.434 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.916 13.580 4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.626 12.989 5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.070 12.547 6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.794 15.344 5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.960 14.913 7.224 1.00 0.00 H new ATOM 0 HE ARG A 96 8.784 15.435 6.929 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.451 13.435 8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.502 13.224 10.070 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.129 15.161 8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.577 14.197 10.109 1.00 0.00 H new ATOM 1515 N ARG A 97 8.985 10.157 3.035 1.00 0.00 N ATOM 1516 CA ARG A 97 9.987 9.872 2.014 1.00 0.00 C ATOM 1517 C ARG A 97 9.625 8.611 1.235 1.00 0.00 C ATOM 1518 O ARG A 97 8.916 7.740 1.739 1.00 0.00 O ATOM 1519 CB ARG A 97 11.367 9.711 2.654 1.00 0.00 C ATOM 1520 CG ARG A 97 11.462 8.531 3.608 1.00 0.00 C ATOM 1521 CD ARG A 97 12.883 7.996 3.692 1.00 0.00 C ATOM 1522 NE ARG A 97 13.849 9.051 3.989 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.108 9.485 5.217 1.00 0.00 C ATOM 1524 NH1 ARG A 97 13.478 8.957 6.257 1.00 0.00 N ATOM 1525 NH2 ARG A 97 15.001 10.448 5.407 1.00 0.00 N ATOM 0 H ARG A 97 8.642 9.334 3.530 1.00 0.00 H new ATOM 0 HA ARG A 97 10.012 10.712 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.112 9.592 1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.617 10.625 3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.127 8.836 4.600 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.792 7.738 3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.936 7.228 4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.147 7.518 2.748 1.00 0.00 H new ATOM 0 HE ARG A 97 14.352 9.477 3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.792 8.215 6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.679 9.292 7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.489 10.856 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.199 10.781 6.351 1.00 0.00 H new ATOM 1539 N ARG A 98 10.117 8.521 0.004 1.00 0.00 N ATOM 1540 CA ARG A 98 9.844 7.368 -0.846 1.00 0.00 C ATOM 1541 C ARG A 98 10.555 6.124 -0.318 1.00 0.00 C ATOM 1542 O ARG A 98 11.780 6.103 -0.193 1.00 0.00 O ATOM 1543 CB ARG A 98 10.286 7.650 -2.283 1.00 0.00 C ATOM 1544 CG ARG A 98 9.442 6.941 -3.330 1.00 0.00 C ATOM 1545 CD ARG A 98 9.372 7.740 -4.622 1.00 0.00 C ATOM 1546 NE ARG A 98 10.439 7.374 -5.550 1.00 0.00 N ATOM 1547 CZ ARG A 98 10.627 7.966 -6.724 1.00 0.00 C ATOM 1548 NH1 ARG A 98 9.823 8.947 -7.112 1.00 0.00 N ATOM 1549 NH2 ARG A 98 11.620 7.577 -7.513 1.00 0.00 N ATOM 0 H ARG A 98 10.707 9.233 -0.427 1.00 0.00 H new ATOM 0 HA ARG A 98 8.770 7.185 -0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.245 8.724 -2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.326 7.346 -2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.863 5.956 -3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.435 6.784 -2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.405 7.576 -5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.438 8.804 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 98 11.075 6.623 -5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.058 9.248 -6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.970 9.400 -8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.240 6.823 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.763 8.032 -8.414 1.00 0.00 H new ATOM 1563 N LEU A 99 9.778 5.091 -0.011 1.00 0.00 N ATOM 1564 CA LEU A 99 10.333 3.844 0.503 1.00 0.00 C ATOM 1565 C LEU A 99 10.175 2.718 -0.514 1.00 0.00 C ATOM 1566 O LEU A 99 9.181 2.635 -1.236 1.00 0.00 O ATOM 1567 CB LEU A 99 9.647 3.461 1.815 1.00 0.00 C ATOM 1568 CG LEU A 99 9.727 4.493 2.941 1.00 0.00 C ATOM 1569 CD1 LEU A 99 8.983 3.999 4.172 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.178 4.801 3.280 1.00 0.00 C ATOM 0 H LEU A 99 8.763 5.092 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 99 11.397 3.996 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.596 3.261 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.085 2.529 2.172 1.00 0.00 H new ATOM 0 HG LEU A 99 9.252 5.413 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.051 4.746 4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.936 3.830 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.428 3.066 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.216 5.537 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.678 3.887 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.681 5.199 2.399 1.00 0.00 H new ATOM 1582 N PRO A 100 11.177 1.828 -0.572 1.00 0.00 N ATOM 1583 CA PRO A 100 11.171 0.689 -1.495 1.00 0.00 C ATOM 1584 C PRO A 100 10.131 -0.360 -1.115 1.00 0.00 C ATOM 1585 O PRO A 100 10.281 -1.064 -0.117 1.00 0.00 O ATOM 1586 CB PRO A 100 12.583 0.114 -1.358 1.00 0.00 C ATOM 1587 CG PRO A 100 13.030 0.527 0.002 1.00 0.00 C ATOM 1588 CD PRO A 100 12.391 1.864 0.260 1.00 0.00 C ATOM 0 HA PRO A 100 10.914 0.990 -2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.580 -0.971 -1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.247 0.506 -2.129 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.724 -0.203 0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.117 0.598 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.151 1.998 1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.049 2.685 -0.024 1.00 0.00 H new ATOM 1596 N SER A 101 9.076 -0.458 -1.918 1.00 0.00 N ATOM 1597 CA SER A 101 8.009 -1.418 -1.664 1.00 0.00 C ATOM 1598 C SER A 101 8.526 -2.849 -1.782 1.00 0.00 C ATOM 1599 O SER A 101 7.856 -3.797 -1.375 1.00 0.00 O ATOM 1600 CB SER A 101 6.853 -1.199 -2.643 1.00 0.00 C ATOM 1601 OG SER A 101 7.292 -1.318 -3.985 1.00 0.00 O ATOM 0 H SER A 101 8.938 0.116 -2.750 1.00 0.00 H new ATOM 0 HA SER A 101 7.649 -1.263 -0.647 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.065 -1.927 -2.449 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.420 -0.211 -2.485 1.00 0.00 H new ATOM 0 HG SER A 101 6.535 -1.176 -4.591 1.00 0.00 H new ATOM 1607 N GLN A 102 9.722 -2.994 -2.343 1.00 0.00 N ATOM 1608 CA GLN A 102 10.329 -4.309 -2.515 1.00 0.00 C ATOM 1609 C GLN A 102 10.556 -4.985 -1.167 1.00 0.00 C ATOM 1610 O GLN A 102 10.606 -6.212 -1.078 1.00 0.00 O ATOM 1611 CB GLN A 102 11.655 -4.186 -3.268 1.00 0.00 C ATOM 1612 CG GLN A 102 12.459 -5.476 -3.298 1.00 0.00 C ATOM 1613 CD GLN A 102 13.677 -5.385 -4.196 1.00 0.00 C ATOM 1614 OE1 GLN A 102 14.719 -4.862 -3.798 1.00 0.00 O ATOM 1615 NE2 GLN A 102 13.552 -5.893 -5.416 1.00 0.00 N ATOM 0 H GLN A 102 10.289 -2.219 -2.686 1.00 0.00 H new ATOM 0 HA GLN A 102 9.644 -4.925 -3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.454 -3.869 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.256 -3.404 -2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.777 -5.725 -2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.820 -6.290 -3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.670 -6.317 -5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.338 -5.859 -6.065 1.00 0.00 H new ATOM 1624 N ARG A 103 10.694 -4.177 -0.121 1.00 0.00 N ATOM 1625 CA ARG A 103 10.918 -4.697 1.222 1.00 0.00 C ATOM 1626 C ARG A 103 9.593 -5.007 1.912 1.00 0.00 C ATOM 1627 O ARG A 103 9.533 -5.839 2.818 1.00 0.00 O ATOM 1628 CB ARG A 103 11.716 -3.693 2.055 1.00 0.00 C ATOM 1629 CG ARG A 103 13.222 -3.836 1.903 1.00 0.00 C ATOM 1630 CD ARG A 103 13.962 -3.220 3.079 1.00 0.00 C ATOM 1631 NE ARG A 103 15.242 -3.877 3.326 1.00 0.00 N ATOM 1632 CZ ARG A 103 16.337 -3.645 2.610 1.00 0.00 C ATOM 1633 NH1 ARG A 103 16.307 -2.776 1.610 1.00 0.00 N ATOM 1634 NH2 ARG A 103 17.465 -4.283 2.896 1.00 0.00 N ATOM 0 H ARG A 103 10.655 -3.159 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 103 11.489 -5.621 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.425 -2.683 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.452 -3.814 3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.482 -4.891 1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.543 -3.356 0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.130 -2.160 2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.342 -3.287 3.973 1.00 0.00 H new ATOM 0 HE ARG A 103 15.299 -4.551 4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.442 -2.283 1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.149 -2.600 1.062 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.492 -4.952 3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.305 -4.105 2.346 1.00 0.00 H new ATOM 1648 N TYR A 104 8.534 -4.333 1.479 1.00 0.00 N ATOM 1649 CA TYR A 104 7.210 -4.534 2.057 1.00 0.00 C ATOM 1650 C TYR A 104 6.333 -5.370 1.131 1.00 0.00 C ATOM 1651 O TYR A 104 5.108 -5.234 1.125 1.00 0.00 O ATOM 1652 CB TYR A 104 6.541 -3.186 2.332 1.00 0.00 C ATOM 1653 CG TYR A 104 7.329 -2.299 3.270 1.00 0.00 C ATOM 1654 CD1 TYR A 104 8.343 -1.478 2.793 1.00 0.00 C ATOM 1655 CD2 TYR A 104 7.059 -2.283 4.633 1.00 0.00 C ATOM 1656 CE1 TYR A 104 9.066 -0.667 3.645 1.00 0.00 C ATOM 1657 CE2 TYR A 104 7.776 -1.473 5.493 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.779 -0.667 4.994 1.00 0.00 C ATOM 1659 OH TYR A 104 9.496 0.139 5.848 1.00 0.00 O ATOM 0 H TYR A 104 8.566 -3.642 0.729 1.00 0.00 H new ATOM 0 HA TYR A 104 7.330 -5.072 2.998 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.395 -2.663 1.387 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.552 -3.360 2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 104 8.570 -1.474 1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 104 6.276 -2.914 5.027 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.852 -0.036 3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 104 7.553 -1.471 6.550 1.00 0.00 H new ATOM 0 HH TYR A 104 8.885 0.572 6.480 1.00 0.00 H new ATOM 1669 N LEU A 105 6.967 -6.236 0.348 1.00 0.00 N ATOM 1670 CA LEU A 105 6.245 -7.097 -0.583 1.00 0.00 C ATOM 1671 C LEU A 105 5.610 -8.276 0.147 1.00 0.00 C ATOM 1672 O LEU A 105 6.279 -8.991 0.892 1.00 0.00 O ATOM 1673 CB LEU A 105 7.189 -7.606 -1.673 1.00 0.00 C ATOM 1674 CG LEU A 105 7.317 -6.724 -2.916 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.290 -7.339 -3.909 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.956 -6.511 -3.561 1.00 0.00 C ATOM 0 H LEU A 105 7.979 -6.361 0.339 1.00 0.00 H new ATOM 0 HA LEU A 105 5.451 -6.509 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.180 -7.732 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.851 -8.594 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 105 7.708 -5.753 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.368 -6.698 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.271 -7.438 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.930 -8.323 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.066 -5.881 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.537 -7.474 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.288 -6.025 -2.850 1.00 0.00 H new ATOM 1688 N MET A 106 4.315 -8.474 -0.075 1.00 0.00 N ATOM 1689 CA MET A 106 3.590 -9.569 0.559 1.00 0.00 C ATOM 1690 C MET A 106 3.696 -10.844 -0.272 1.00 0.00 C ATOM 1691 O MET A 106 4.187 -11.867 0.205 1.00 0.00 O ATOM 1692 CB MET A 106 2.120 -9.193 0.751 1.00 0.00 C ATOM 1693 CG MET A 106 1.834 -8.515 2.081 1.00 0.00 C ATOM 1694 SD MET A 106 0.331 -7.520 2.046 1.00 0.00 S ATOM 1695 CE MET A 106 -0.674 -8.381 3.253 1.00 0.00 C ATOM 0 H MET A 106 3.746 -7.891 -0.689 1.00 0.00 H new ATOM 0 HA MET A 106 4.041 -9.753 1.534 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.815 -8.530 -0.058 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.510 -10.093 0.673 1.00 0.00 H new ATOM 0 HG2 MET A 106 1.745 -9.273 2.859 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.679 -7.881 2.350 1.00 0.00 H new ATOM 0 HE1 MET A 106 -1.485 -8.904 2.745 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.059 -9.102 3.791 1.00 0.00 H new ATOM 0 HE3 MET A 106 -1.091 -7.662 3.958 1.00 0.00 H new ATOM 1705 N ALA A 107 3.232 -10.775 -1.515 1.00 0.00 N ATOM 1706 CA ALA A 107 3.277 -11.923 -2.412 1.00 0.00 C ATOM 1707 C ALA A 107 4.132 -11.628 -3.640 1.00 0.00 C ATOM 1708 O ALA A 107 4.405 -10.471 -3.954 1.00 0.00 O ATOM 1709 CB ALA A 107 1.870 -12.322 -2.830 1.00 0.00 C ATOM 0 H ALA A 107 2.821 -9.936 -1.924 1.00 0.00 H new ATOM 0 HA ALA A 107 3.734 -12.754 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.919 -13.181 -3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.288 -12.584 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.393 -11.488 -3.344 1.00 0.00 H new ATOM 1715 N GLY A 108 4.552 -12.684 -4.331 1.00 0.00 N ATOM 1716 CA GLY A 108 5.372 -12.516 -5.516 1.00 0.00 C ATOM 1717 C GLY A 108 6.840 -12.334 -5.184 1.00 0.00 C ATOM 1718 O GLY A 108 7.202 -11.903 -4.089 1.00 0.00 O ATOM 0 H GLY A 108 4.339 -13.652 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.254 -13.386 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.020 -11.651 -6.078 1.00 0.00 H new ATOM 1722 N PRO A 109 7.714 -12.669 -6.145 1.00 0.00 N ATOM 1723 CA PRO A 109 9.165 -12.550 -5.972 1.00 0.00 C ATOM 1724 C PRO A 109 9.625 -11.097 -5.924 1.00 0.00 C ATOM 1725 O PRO A 109 10.433 -10.719 -5.076 1.00 0.00 O ATOM 1726 CB PRO A 109 9.728 -13.248 -7.212 1.00 0.00 C ATOM 1727 CG PRO A 109 8.650 -13.135 -8.234 1.00 0.00 C ATOM 1728 CD PRO A 109 7.353 -13.189 -7.474 1.00 0.00 C ATOM 0 HA PRO A 109 9.501 -12.986 -5.031 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.647 -12.770 -7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.969 -14.291 -7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.737 -12.203 -8.792 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.712 -13.947 -8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.584 -12.580 -7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 109 6.964 -14.205 -7.416 1.00 0.00 H new ATOM 1736 N GLY A 110 9.106 -10.285 -6.840 1.00 0.00 N ATOM 1737 CA GLY A 110 9.476 -8.882 -6.883 1.00 0.00 C ATOM 1738 C GLY A 110 8.983 -8.192 -8.139 1.00 0.00 C ATOM 1739 O GLY A 110 8.067 -8.676 -8.804 1.00 0.00 O ATOM 0 H GLY A 110 8.436 -10.574 -7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 110 9.068 -8.375 -6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.561 -8.793 -6.825 1.00 0.00 H new ATOM 1743 N SER A 111 9.591 -7.055 -8.465 1.00 0.00 N ATOM 1744 CA SER A 111 9.205 -6.293 -9.647 1.00 0.00 C ATOM 1745 C SER A 111 9.481 -7.088 -10.920 1.00 0.00 C ATOM 1746 O SER A 111 10.605 -7.106 -11.421 1.00 0.00 O ATOM 1747 CB SER A 111 9.957 -4.962 -9.690 1.00 0.00 C ATOM 1748 OG SER A 111 11.359 -5.167 -9.665 1.00 0.00 O ATOM 0 H SER A 111 10.353 -6.642 -7.927 1.00 0.00 H new ATOM 0 HA SER A 111 8.135 -6.095 -9.588 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.682 -4.415 -10.592 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.661 -4.346 -8.841 1.00 0.00 H new ATOM 0 HG SER A 111 11.603 -5.844 -10.331 1.00 0.00 H new ATOM 1754 N SER A 112 8.447 -7.743 -11.437 1.00 0.00 N ATOM 1755 CA SER A 112 8.578 -8.543 -12.649 1.00 0.00 C ATOM 1756 C SER A 112 8.201 -7.727 -13.882 1.00 0.00 C ATOM 1757 O SER A 112 7.570 -8.236 -14.808 1.00 0.00 O ATOM 1758 CB SER A 112 7.697 -9.790 -12.560 1.00 0.00 C ATOM 1759 OG SER A 112 8.240 -10.735 -11.654 1.00 0.00 O ATOM 0 H SER A 112 7.509 -7.736 -11.036 1.00 0.00 H new ATOM 0 HA SER A 112 9.620 -8.849 -12.742 1.00 0.00 H new ATOM 0 HB2 SER A 112 6.694 -9.508 -12.239 1.00 0.00 H new ATOM 0 HB3 SER A 112 7.600 -10.242 -13.547 1.00 0.00 H new ATOM 0 HG SER A 112 7.657 -11.522 -11.614 1.00 0.00 H new ATOM 1765 N SER A 113 8.592 -6.457 -13.885 1.00 0.00 N ATOM 1766 CA SER A 113 8.293 -5.568 -15.002 1.00 0.00 C ATOM 1767 C SER A 113 6.800 -5.574 -15.316 1.00 0.00 C ATOM 1768 O SER A 113 6.398 -5.721 -16.470 1.00 0.00 O ATOM 1769 CB SER A 113 9.088 -5.984 -16.241 1.00 0.00 C ATOM 1770 OG SER A 113 8.965 -5.021 -17.273 1.00 0.00 O ATOM 0 H SER A 113 9.116 -6.020 -13.127 1.00 0.00 H new ATOM 0 HA SER A 113 8.583 -4.557 -14.717 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.139 -6.108 -15.978 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.733 -6.951 -16.597 1.00 0.00 H new ATOM 0 HG SER A 113 8.024 -4.939 -17.533 1.00 0.00 H new ATOM 1776 N GLU A 114 5.983 -5.413 -14.279 1.00 0.00 N ATOM 1777 CA GLU A 114 4.534 -5.401 -14.444 1.00 0.00 C ATOM 1778 C GLU A 114 3.993 -3.975 -14.400 1.00 0.00 C ATOM 1779 O GLU A 114 2.781 -3.760 -14.396 1.00 0.00 O ATOM 1780 CB GLU A 114 3.867 -6.246 -13.356 1.00 0.00 C ATOM 1781 CG GLU A 114 3.857 -5.580 -11.990 1.00 0.00 C ATOM 1782 CD GLU A 114 5.078 -5.928 -11.162 1.00 0.00 C ATOM 1783 OE1 GLU A 114 6.090 -5.202 -11.263 1.00 0.00 O ATOM 1784 OE2 GLU A 114 5.024 -6.926 -10.414 1.00 0.00 O ATOM 0 H GLU A 114 6.300 -5.289 -13.317 1.00 0.00 H new ATOM 0 HA GLU A 114 4.302 -5.829 -15.419 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.841 -6.462 -13.653 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.385 -7.202 -13.281 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.805 -4.499 -12.118 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.959 -5.880 -11.450 1.00 0.00 H new ATOM 1791 N GLU A 115 4.901 -3.005 -14.365 1.00 0.00 N ATOM 1792 CA GLU A 115 4.515 -1.600 -14.319 1.00 0.00 C ATOM 1793 C GLU A 115 3.812 -1.186 -15.609 1.00 0.00 C ATOM 1794 O GLU A 115 3.791 -1.936 -16.585 1.00 0.00 O ATOM 1795 CB GLU A 115 5.743 -0.717 -14.090 1.00 0.00 C ATOM 1796 CG GLU A 115 6.369 -0.890 -12.716 1.00 0.00 C ATOM 1797 CD GLU A 115 5.618 -0.137 -11.634 1.00 0.00 C ATOM 1798 OE1 GLU A 115 5.308 1.054 -11.847 1.00 0.00 O ATOM 1799 OE2 GLU A 115 5.340 -0.738 -10.576 1.00 0.00 O ATOM 0 H GLU A 115 5.908 -3.166 -14.368 1.00 0.00 H new ATOM 0 HA GLU A 115 3.822 -1.468 -13.488 1.00 0.00 H new ATOM 0 HB2 GLU A 115 6.490 -0.943 -14.851 1.00 0.00 H new ATOM 0 HB3 GLU A 115 5.459 0.327 -14.222 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.396 -1.950 -12.464 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.402 -0.543 -12.745 1.00 0.00 H new ATOM 1806 N ASP A 116 3.237 0.012 -15.605 1.00 0.00 N ATOM 1807 CA ASP A 116 2.533 0.526 -16.774 1.00 0.00 C ATOM 1808 C ASP A 116 3.418 0.456 -18.015 1.00 0.00 C ATOM 1809 O ASP A 116 4.638 0.331 -17.912 1.00 0.00 O ATOM 1810 CB ASP A 116 2.086 1.969 -16.532 1.00 0.00 C ATOM 1811 CG ASP A 116 3.203 2.968 -16.762 1.00 0.00 C ATOM 1812 OD1 ASP A 116 4.371 2.624 -16.487 1.00 0.00 O ATOM 1813 OD2 ASP A 116 2.908 4.094 -17.215 1.00 0.00 O ATOM 0 H ASP A 116 3.245 0.645 -14.805 1.00 0.00 H new ATOM 0 HA ASP A 116 1.654 -0.096 -16.941 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.251 2.203 -17.193 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.720 2.066 -15.510 1.00 0.00 H new ATOM 1818 N GLU A 117 2.793 0.536 -19.186 1.00 0.00 N ATOM 1819 CA GLU A 117 3.525 0.480 -20.446 1.00 0.00 C ATOM 1820 C GLU A 117 3.894 1.881 -20.924 1.00 0.00 C ATOM 1821 O GLU A 117 5.021 2.125 -21.353 1.00 0.00 O ATOM 1822 CB GLU A 117 2.691 -0.232 -21.514 1.00 0.00 C ATOM 1823 CG GLU A 117 2.847 -1.743 -21.501 1.00 0.00 C ATOM 1824 CD GLU A 117 4.247 -2.188 -21.877 1.00 0.00 C ATOM 1825 OE1 GLU A 117 4.639 -1.993 -23.046 1.00 0.00 O ATOM 1826 OE2 GLU A 117 4.952 -2.731 -21.000 1.00 0.00 O ATOM 0 H GLU A 117 1.783 0.640 -19.288 1.00 0.00 H new ATOM 0 HA GLU A 117 4.444 -0.081 -20.278 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.640 0.018 -21.368 1.00 0.00 H new ATOM 0 HB3 GLU A 117 2.975 0.146 -22.496 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.604 -2.121 -20.508 1.00 0.00 H new ATOM 0 HG3 GLU A 117 2.131 -2.184 -22.194 1.00 0.00 H new ATOM 1833 N ALA A 118 2.935 2.798 -20.847 1.00 0.00 N ATOM 1834 CA ALA A 118 3.159 4.175 -21.269 1.00 0.00 C ATOM 1835 C ALA A 118 2.104 5.107 -20.684 1.00 0.00 C ATOM 1836 O ALA A 118 0.916 4.982 -20.984 1.00 0.00 O ATOM 1837 CB ALA A 118 3.164 4.267 -22.788 1.00 0.00 C ATOM 0 H ALA A 118 1.995 2.612 -20.496 1.00 0.00 H new ATOM 0 HA ALA A 118 4.133 4.490 -20.894 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.332 5.301 -23.089 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.960 3.638 -23.188 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.204 3.928 -23.176 1.00 0.00 H new ATOM 1843 N SER A 119 2.544 6.042 -19.848 1.00 0.00 N ATOM 1844 CA SER A 119 1.636 6.993 -19.217 1.00 0.00 C ATOM 1845 C SER A 119 2.068 8.428 -19.504 1.00 0.00 C ATOM 1846 O SER A 119 3.148 8.634 -20.054 1.00 0.00 O ATOM 1847 CB SER A 119 1.585 6.756 -17.706 1.00 0.00 C ATOM 1848 OG SER A 119 0.684 5.711 -17.385 1.00 0.00 O ATOM 0 H SER A 119 3.524 6.161 -19.592 1.00 0.00 H new ATOM 0 HA SER A 119 0.641 6.841 -19.635 1.00 0.00 H new ATOM 0 HB2 SER A 119 2.581 6.507 -17.340 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.279 7.672 -17.201 1.00 0.00 H new ATOM 0 HG SER A 119 1.183 4.877 -17.257 1.00 0.00 H new ATOM 1854 N HIS A 120 1.222 9.377 -19.130 1.00 0.00 N ATOM 1855 CA HIS A 120 1.527 10.780 -19.352 1.00 0.00 C ATOM 1856 C HIS A 120 0.775 11.636 -18.331 1.00 0.00 C ATOM 1857 O HIS A 120 -0.272 11.258 -17.806 1.00 0.00 O ATOM 1858 CB HIS A 120 1.225 11.179 -20.797 1.00 0.00 C ATOM 1859 CG HIS A 120 -0.233 11.063 -21.175 1.00 0.00 C ATOM 1860 ND1 HIS A 120 -1.250 11.612 -20.414 1.00 0.00 N ATOM 1861 CD2 HIS A 120 -0.832 10.457 -22.240 1.00 0.00 C ATOM 1862 CE1 HIS A 120 -2.406 11.341 -21.003 1.00 0.00 C ATOM 1863 NE2 HIS A 120 -2.144 10.625 -22.134 1.00 0.00 N ATOM 0 H HIS A 120 0.326 9.202 -18.675 1.00 0.00 H new ATOM 0 HA HIS A 120 2.593 10.952 -19.204 1.00 0.00 H new ATOM 0 HB2 HIS A 120 1.550 12.208 -20.954 1.00 0.00 H new ATOM 0 HB3 HIS A 120 1.814 10.553 -21.467 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -0.325 9.930 -23.035 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -3.383 11.635 -20.650 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -2.842 10.276 -22.791 1.00 0.00 H new ATOM 1871 N SER A 121 1.338 12.810 -18.059 1.00 0.00 N ATOM 1872 CA SER A 121 0.745 13.739 -17.104 1.00 0.00 C ATOM 1873 C SER A 121 1.174 15.172 -17.402 1.00 0.00 C ATOM 1874 O SER A 121 2.271 15.411 -17.905 1.00 0.00 O ATOM 1875 CB SER A 121 1.145 13.360 -15.677 1.00 0.00 C ATOM 1876 OG SER A 121 0.516 14.206 -14.729 1.00 0.00 O ATOM 0 H SER A 121 2.203 13.140 -18.486 1.00 0.00 H new ATOM 0 HA SER A 121 -0.339 13.676 -17.198 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.871 12.323 -15.482 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.227 13.429 -15.569 1.00 0.00 H new ATOM 0 HG SER A 121 0.787 13.942 -13.825 1.00 0.00 H new ATOM 1882 N GLY A 122 0.300 16.123 -17.087 1.00 0.00 N ATOM 1883 CA GLY A 122 0.606 17.521 -17.328 1.00 0.00 C ATOM 1884 C GLY A 122 0.471 18.367 -16.077 1.00 0.00 C ATOM 1885 O GLY A 122 1.466 18.831 -15.523 1.00 0.00 O ATOM 0 H GLY A 122 -0.614 15.950 -16.669 1.00 0.00 H new ATOM 0 HA2 GLY A 122 1.622 17.606 -17.713 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.060 17.908 -18.099 1.00 0.00 H new ATOM 1889 N GLY A 123 -0.765 18.571 -15.632 1.00 0.00 N ATOM 1890 CA GLY A 123 -1.004 19.369 -14.444 1.00 0.00 C ATOM 1891 C GLY A 123 -1.933 18.683 -13.462 1.00 0.00 C ATOM 1892 O GLY A 123 -2.976 18.154 -13.849 1.00 0.00 O ATOM 0 H GLY A 123 -1.605 18.198 -16.073 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.053 19.579 -13.954 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.432 20.329 -14.735 1.00 0.00 H new ATOM 1896 N SER A 124 -1.555 18.689 -12.188 1.00 0.00 N ATOM 1897 CA SER A 124 -2.359 18.058 -11.148 1.00 0.00 C ATOM 1898 C SER A 124 -2.603 19.021 -9.990 1.00 0.00 C ATOM 1899 O SER A 124 -1.667 19.605 -9.446 1.00 0.00 O ATOM 1900 CB SER A 124 -1.668 16.793 -10.637 1.00 0.00 C ATOM 1901 OG SER A 124 -0.327 17.059 -10.264 1.00 0.00 O ATOM 0 H SER A 124 -0.696 19.124 -11.851 1.00 0.00 H new ATOM 0 HA SER A 124 -3.322 17.788 -11.582 1.00 0.00 H new ATOM 0 HB2 SER A 124 -2.215 16.397 -9.781 1.00 0.00 H new ATOM 0 HB3 SER A 124 -1.688 16.026 -11.411 1.00 0.00 H new ATOM 0 HG SER A 124 -0.246 17.993 -9.979 1.00 0.00 H new ATOM 1907 N GLY A 125 -3.870 19.183 -9.620 1.00 0.00 N ATOM 1908 CA GLY A 125 -4.216 20.076 -8.529 1.00 0.00 C ATOM 1909 C GLY A 125 -5.295 21.068 -8.913 1.00 0.00 C ATOM 1910 O GLY A 125 -6.490 20.782 -8.831 1.00 0.00 O ATOM 0 H GLY A 125 -4.663 18.712 -10.056 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.554 19.488 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.325 20.618 -8.210 1.00 0.00 H new ATOM 1914 N PRO A 126 -4.875 22.268 -9.342 1.00 0.00 N ATOM 1915 CA PRO A 126 -5.799 23.332 -9.747 1.00 0.00 C ATOM 1916 C PRO A 126 -6.519 23.008 -11.052 1.00 0.00 C ATOM 1917 O PRO A 126 -7.705 23.300 -11.206 1.00 0.00 O ATOM 1918 CB PRO A 126 -4.885 24.546 -9.928 1.00 0.00 C ATOM 1919 CG PRO A 126 -3.545 23.970 -10.231 1.00 0.00 C ATOM 1920 CD PRO A 126 -3.467 22.679 -9.465 1.00 0.00 C ATOM 0 HA PRO A 126 -6.592 23.484 -9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -5.233 25.186 -10.739 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.858 25.159 -9.027 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -3.427 23.797 -11.301 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -2.750 24.652 -9.929 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -2.876 21.933 -9.995 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -3.003 22.819 -8.489 1.00 0.00 H new ATOM 1928 N SER A 127 -5.795 22.403 -11.988 1.00 0.00 N ATOM 1929 CA SER A 127 -6.365 22.043 -13.281 1.00 0.00 C ATOM 1930 C SER A 127 -7.577 21.133 -13.106 1.00 0.00 C ATOM 1931 O SER A 127 -7.488 20.075 -12.484 1.00 0.00 O ATOM 1932 CB SER A 127 -5.313 21.350 -14.150 1.00 0.00 C ATOM 1933 OG SER A 127 -4.239 22.225 -14.446 1.00 0.00 O ATOM 0 H SER A 127 -4.813 22.152 -11.875 1.00 0.00 H new ATOM 0 HA SER A 127 -6.689 22.959 -13.776 1.00 0.00 H new ATOM 0 HB2 SER A 127 -4.935 20.467 -13.634 1.00 0.00 H new ATOM 0 HB3 SER A 127 -5.772 21.006 -15.077 1.00 0.00 H new ATOM 0 HG SER A 127 -3.580 21.758 -15.001 1.00 0.00 H new ATOM 1939 N SER A 128 -8.709 21.554 -13.660 1.00 0.00 N ATOM 1940 CA SER A 128 -9.941 20.779 -13.563 1.00 0.00 C ATOM 1941 C SER A 128 -9.678 19.302 -13.838 1.00 0.00 C ATOM 1942 O SER A 128 -10.199 18.428 -13.147 1.00 0.00 O ATOM 1943 CB SER A 128 -10.984 21.315 -14.547 1.00 0.00 C ATOM 1944 OG SER A 128 -11.988 20.348 -14.802 1.00 0.00 O ATOM 0 H SER A 128 -8.799 22.427 -14.180 1.00 0.00 H new ATOM 0 HA SER A 128 -10.324 20.878 -12.547 1.00 0.00 H new ATOM 0 HB2 SER A 128 -11.439 22.219 -14.143 1.00 0.00 H new ATOM 0 HB3 SER A 128 -10.497 21.594 -15.482 1.00 0.00 H new ATOM 0 HG SER A 128 -12.643 20.715 -15.432 1.00 0.00 H new ATOM 1950 N GLY A 129 -8.863 19.031 -14.854 1.00 0.00 N ATOM 1951 CA GLY A 129 -8.544 17.660 -15.203 1.00 0.00 C ATOM 1952 C GLY A 129 -7.052 17.393 -15.200 1.00 0.00 C ATOM 1953 O GLY A 129 -6.424 17.327 -16.257 1.00 0.00 O ATOM 0 H GLY A 129 -8.419 19.737 -15.441 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.032 16.986 -14.499 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.948 17.436 -16.190 1.00 0.00 H new TER 1957 GLY A 129