USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 855 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 95 TYR OH : rot 0:sc= -1.06 USER MOD Set 1.2: A 118 THR OG1 : rot -149:sc= -0.173 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.0678 USER MOD Set 2.2: A 83 ASN : amide:sc= -2.05 K(o=-2.1,f=-4.2!) USER MOD Set 3.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 49 THR OG1 : rot 170:sc= -0.754 USER MOD Set 4.2: A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -108:sc= 0.0216 (180deg=0) USER MOD Single : A 19 SER OG : rot 109:sc= 0.896 USER MOD Single : A 20 ASN : amide:sc= -2.23! C(o=-2.2!,f=-2.1!) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.619) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.0712 X(o=0.071,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 39:sc= 0.358 USER MOD Single : A 46 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.5) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 110:sc= 0.684 USER MOD Single : A 60 TYR OH : rot 180:sc=-0.00525 USER MOD Single : A 65 SER OG : rot 29:sc= 0.757 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.0431 (180deg=-0.254) USER MOD Single : A 73 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 18:sc= 0.00725 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0102 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -174:sc= -2.96 (180deg=-3.15) USER MOD Single : A 96 HIS : no HD1:sc= -4.46! C(o=-4.5!,f=-4.6!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0.583 K(o=0.58,f=-0.89) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.089 K(o=-0.089,f=1.1) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 74:sc= -2.13 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -23:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 9.548 -24.638 -7.394 1.00 0.00 N ATOM 67 CA ASP A 8 9.654 -23.914 -6.133 1.00 0.00 C ATOM 68 C ASP A 8 10.558 -22.694 -6.282 1.00 0.00 C ATOM 69 O ASP A 8 10.241 -21.611 -5.791 1.00 0.00 O ATOM 70 CB ASP A 8 10.192 -24.833 -5.035 1.00 0.00 C ATOM 71 CG ASP A 8 11.212 -25.824 -5.559 1.00 0.00 C ATOM 72 OD1 ASP A 8 12.379 -25.426 -5.757 1.00 0.00 O ATOM 73 OD2 ASP A 8 10.843 -26.999 -5.773 1.00 0.00 O ATOM 0 HA ASP A 8 8.657 -23.573 -5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.647 -24.229 -4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.363 -25.375 -4.580 1.00 0.00 H new ATOM 78 N GLU A 9 11.686 -22.879 -6.961 1.00 0.00 N ATOM 79 CA GLU A 9 12.637 -21.794 -7.171 1.00 0.00 C ATOM 80 C GLU A 9 11.911 -20.480 -7.445 1.00 0.00 C ATOM 81 O GLU A 9 12.315 -19.424 -6.959 1.00 0.00 O ATOM 82 CB GLU A 9 13.572 -22.125 -8.337 1.00 0.00 C ATOM 83 CG GLU A 9 14.576 -23.221 -8.020 1.00 0.00 C ATOM 84 CD GLU A 9 15.209 -23.055 -6.652 1.00 0.00 C ATOM 85 OE1 GLU A 9 14.575 -23.454 -5.653 1.00 0.00 O ATOM 86 OE2 GLU A 9 16.337 -22.525 -6.581 1.00 0.00 O ATOM 0 H GLU A 9 11.963 -23.769 -7.375 1.00 0.00 H new ATOM 0 HA GLU A 9 13.227 -21.681 -6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.974 -22.429 -9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.111 -21.223 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.079 -24.190 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.357 -23.223 -8.780 1.00 0.00 H new ATOM 93 N GLU A 10 10.839 -20.555 -8.227 1.00 0.00 N ATOM 94 CA GLU A 10 10.058 -19.371 -8.566 1.00 0.00 C ATOM 95 C GLU A 10 9.429 -18.759 -7.318 1.00 0.00 C ATOM 96 O GLU A 10 9.518 -17.551 -7.092 1.00 0.00 O ATOM 97 CB GLU A 10 8.967 -19.725 -9.579 1.00 0.00 C ATOM 98 CG GLU A 10 9.413 -19.590 -11.026 1.00 0.00 C ATOM 99 CD GLU A 10 9.159 -18.204 -11.586 1.00 0.00 C ATOM 100 OE1 GLU A 10 9.091 -17.245 -10.789 1.00 0.00 O ATOM 101 OE2 GLU A 10 9.029 -18.077 -12.822 1.00 0.00 O ATOM 0 H GLU A 10 10.492 -21.422 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 10 10.731 -18.638 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.638 -20.749 -9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.104 -19.080 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.477 -19.818 -11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.888 -20.326 -11.635 1.00 0.00 H new ATOM 108 N THR A 11 8.790 -19.600 -6.511 1.00 0.00 N ATOM 109 CA THR A 11 8.144 -19.143 -5.287 1.00 0.00 C ATOM 110 C THR A 11 9.092 -18.292 -4.449 1.00 0.00 C ATOM 111 O THR A 11 8.733 -17.204 -4.000 1.00 0.00 O ATOM 112 CB THR A 11 7.649 -20.328 -4.436 1.00 0.00 C ATOM 113 OG1 THR A 11 6.761 -21.146 -5.206 1.00 0.00 O ATOM 114 CG2 THR A 11 6.938 -19.836 -3.185 1.00 0.00 C ATOM 0 H THR A 11 8.706 -20.602 -6.683 1.00 0.00 H new ATOM 0 HA THR A 11 7.288 -18.539 -5.589 1.00 0.00 H new ATOM 0 HB THR A 11 8.515 -20.917 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.452 -21.898 -4.659 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.597 -20.690 -2.600 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.626 -19.238 -2.587 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.080 -19.226 -3.470 1.00 0.00 H new ATOM 122 N LYS A 12 10.305 -18.794 -4.244 1.00 0.00 N ATOM 123 CA LYS A 12 11.307 -18.080 -3.462 1.00 0.00 C ATOM 124 C LYS A 12 11.479 -16.652 -3.971 1.00 0.00 C ATOM 125 O LYS A 12 11.445 -15.698 -3.195 1.00 0.00 O ATOM 126 CB LYS A 12 12.647 -18.817 -3.516 1.00 0.00 C ATOM 127 CG LYS A 12 12.620 -20.178 -2.842 1.00 0.00 C ATOM 128 CD LYS A 12 13.699 -21.094 -3.394 1.00 0.00 C ATOM 129 CE LYS A 12 15.004 -20.945 -2.628 1.00 0.00 C ATOM 130 NZ LYS A 12 15.964 -22.037 -2.948 1.00 0.00 N ATOM 0 H LYS A 12 10.618 -19.694 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 12 10.963 -18.040 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.941 -18.943 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.410 -18.201 -3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.759 -20.056 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.642 -20.637 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.361 -22.129 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.866 -20.867 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.457 -19.982 -2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.798 -20.945 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.039 -22.682 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.626 -22.564 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.898 -21.629 -3.154 1.00 0.00 H new ATOM 144 N ALA A 13 11.662 -16.514 -5.281 1.00 0.00 N ATOM 145 CA ALA A 13 11.835 -15.203 -5.894 1.00 0.00 C ATOM 146 C ALA A 13 10.610 -14.324 -5.665 1.00 0.00 C ATOM 147 O ALA A 13 10.719 -13.101 -5.580 1.00 0.00 O ATOM 148 CB ALA A 13 12.112 -15.350 -7.383 1.00 0.00 C ATOM 0 H ALA A 13 11.694 -17.294 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 13 12.690 -14.718 -5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.239 -14.363 -7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.021 -15.934 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.274 -15.858 -7.860 1.00 0.00 H new ATOM 154 N PHE A 14 9.445 -14.955 -5.568 1.00 0.00 N ATOM 155 CA PHE A 14 8.199 -14.229 -5.351 1.00 0.00 C ATOM 156 C PHE A 14 8.090 -13.755 -3.905 1.00 0.00 C ATOM 157 O PHE A 14 7.599 -12.659 -3.636 1.00 0.00 O ATOM 158 CB PHE A 14 7.001 -15.115 -5.701 1.00 0.00 C ATOM 159 CG PHE A 14 6.551 -14.979 -7.128 1.00 0.00 C ATOM 160 CD1 PHE A 14 6.093 -13.763 -7.611 1.00 0.00 C ATOM 161 CD2 PHE A 14 6.586 -16.066 -7.986 1.00 0.00 C ATOM 162 CE1 PHE A 14 5.678 -13.636 -8.923 1.00 0.00 C ATOM 163 CE2 PHE A 14 6.173 -15.944 -9.299 1.00 0.00 C ATOM 164 CZ PHE A 14 5.719 -14.727 -9.768 1.00 0.00 C ATOM 0 H PHE A 14 9.337 -15.967 -5.636 1.00 0.00 H new ATOM 0 HA PHE A 14 8.199 -13.355 -6.002 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.260 -16.156 -5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.170 -14.866 -5.041 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.060 -12.906 -6.955 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.940 -17.020 -7.624 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.322 -12.684 -9.287 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.205 -16.799 -9.958 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.397 -14.629 -10.794 1.00 0.00 H new ATOM 174 N GLU A 15 8.551 -14.590 -2.979 1.00 0.00 N ATOM 175 CA GLU A 15 8.504 -14.257 -1.560 1.00 0.00 C ATOM 176 C GLU A 15 9.355 -13.026 -1.262 1.00 0.00 C ATOM 177 O GLU A 15 9.060 -12.261 -0.344 1.00 0.00 O ATOM 178 CB GLU A 15 8.987 -15.440 -0.719 1.00 0.00 C ATOM 179 CG GLU A 15 8.137 -16.689 -0.881 1.00 0.00 C ATOM 180 CD GLU A 15 8.142 -17.563 0.358 1.00 0.00 C ATOM 181 OE1 GLU A 15 9.150 -17.540 1.095 1.00 0.00 O ATOM 182 OE2 GLU A 15 7.140 -18.270 0.591 1.00 0.00 O ATOM 0 H GLU A 15 8.961 -15.501 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 15 7.469 -14.034 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.016 -15.673 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.994 -15.149 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.112 -16.399 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.504 -17.266 -1.730 1.00 0.00 H new ATOM 189 N ALA A 16 10.414 -12.842 -2.044 1.00 0.00 N ATOM 190 CA ALA A 16 11.307 -11.704 -1.866 1.00 0.00 C ATOM 191 C ALA A 16 10.887 -10.533 -2.747 1.00 0.00 C ATOM 192 O ALA A 16 10.838 -9.388 -2.295 1.00 0.00 O ATOM 193 CB ALA A 16 12.742 -12.108 -2.169 1.00 0.00 C ATOM 0 H ALA A 16 10.674 -13.467 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 16 11.243 -11.382 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.399 -11.249 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.045 -12.908 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.812 -12.458 -3.199 1.00 0.00 H new ATOM 199 N LEU A 17 10.586 -10.825 -4.007 1.00 0.00 N ATOM 200 CA LEU A 17 10.170 -9.796 -4.954 1.00 0.00 C ATOM 201 C LEU A 17 8.898 -9.101 -4.479 1.00 0.00 C ATOM 202 O LEU A 17 8.863 -7.879 -4.330 1.00 0.00 O ATOM 203 CB LEU A 17 9.945 -10.408 -6.337 1.00 0.00 C ATOM 204 CG LEU A 17 9.049 -9.610 -7.286 1.00 0.00 C ATOM 205 CD1 LEU A 17 9.830 -8.478 -7.933 1.00 0.00 C ATOM 206 CD2 LEU A 17 8.450 -10.523 -8.347 1.00 0.00 C ATOM 0 H LEU A 17 10.622 -11.767 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 17 10.965 -9.053 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.915 -10.544 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.511 -11.400 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 17 8.234 -9.176 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.176 -7.922 -8.604 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.209 -7.810 -7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.666 -8.890 -8.499 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.815 -9.939 -9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.251 -10.986 -8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.854 -11.298 -7.866 1.00 0.00 H new ATOM 218 N LEU A 18 7.855 -9.888 -4.240 1.00 0.00 N ATOM 219 CA LEU A 18 6.580 -9.350 -3.779 1.00 0.00 C ATOM 220 C LEU A 18 6.764 -8.523 -2.510 1.00 0.00 C ATOM 221 O LEU A 18 6.003 -7.593 -2.247 1.00 0.00 O ATOM 222 CB LEU A 18 5.587 -10.485 -3.522 1.00 0.00 C ATOM 223 CG LEU A 18 5.105 -11.248 -4.756 1.00 0.00 C ATOM 224 CD1 LEU A 18 4.536 -12.601 -4.359 1.00 0.00 C ATOM 225 CD2 LEU A 18 4.068 -10.433 -5.516 1.00 0.00 C ATOM 0 H LEU A 18 7.867 -10.901 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 18 6.185 -8.700 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.049 -11.196 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.717 -10.071 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 18 5.959 -11.415 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.198 -13.129 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.307 -13.188 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.694 -12.457 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.736 -10.992 -6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.215 -10.234 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.509 -9.489 -5.834 1.00 0.00 H new ATOM 237 N SER A 19 7.782 -8.869 -1.728 1.00 0.00 N ATOM 238 CA SER A 19 8.066 -8.160 -0.486 1.00 0.00 C ATOM 239 C SER A 19 9.197 -7.155 -0.680 1.00 0.00 C ATOM 240 O SER A 19 9.901 -6.806 0.266 1.00 0.00 O ATOM 241 CB SER A 19 8.434 -9.152 0.619 1.00 0.00 C ATOM 242 OG SER A 19 7.457 -10.172 0.736 1.00 0.00 O ATOM 0 H SER A 19 8.423 -9.635 -1.933 1.00 0.00 H new ATOM 0 HA SER A 19 7.168 -7.617 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.405 -9.598 0.403 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.529 -8.625 1.568 1.00 0.00 H new ATOM 0 HG SER A 19 7.824 -11.016 0.400 1.00 0.00 H new ATOM 248 N ASN A 20 9.365 -6.694 -1.915 1.00 0.00 N ATOM 249 CA ASN A 20 10.411 -5.730 -2.236 1.00 0.00 C ATOM 250 C ASN A 20 9.817 -4.470 -2.858 1.00 0.00 C ATOM 251 O ASN A 20 10.456 -3.809 -3.678 1.00 0.00 O ATOM 252 CB ASN A 20 11.432 -6.351 -3.191 1.00 0.00 C ATOM 253 CG ASN A 20 12.819 -5.766 -3.016 1.00 0.00 C ATOM 254 OD1 ASN A 20 13.047 -4.932 -2.139 1.00 0.00 O ATOM 255 ND2 ASN A 20 13.755 -6.201 -3.852 1.00 0.00 N ATOM 0 H ASN A 20 8.790 -6.973 -2.710 1.00 0.00 H new ATOM 0 HA ASN A 20 10.913 -5.455 -1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.472 -7.428 -3.026 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.103 -6.198 -4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.708 -5.843 -3.782 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.521 -6.893 -4.564 1.00 0.00 H new ATOM 262 N ILE A 21 8.592 -4.142 -2.462 1.00 0.00 N ATOM 263 CA ILE A 21 7.912 -2.961 -2.980 1.00 0.00 C ATOM 264 C ILE A 21 8.127 -1.759 -2.066 1.00 0.00 C ATOM 265 O ILE A 21 8.586 -1.902 -0.932 1.00 0.00 O ATOM 266 CB ILE A 21 6.400 -3.206 -3.140 1.00 0.00 C ATOM 267 CG1 ILE A 21 5.686 -3.022 -1.800 1.00 0.00 C ATOM 268 CG2 ILE A 21 6.146 -4.600 -3.695 1.00 0.00 C ATOM 269 CD1 ILE A 21 6.109 -4.022 -0.747 1.00 0.00 C ATOM 0 H ILE A 21 8.050 -4.677 -1.784 1.00 0.00 H new ATOM 0 HA ILE A 21 8.343 -2.753 -3.959 1.00 0.00 H new ATOM 0 HB ILE A 21 6.001 -2.477 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.878 -2.015 -1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.610 -3.104 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.073 -4.759 -3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.627 -4.697 -4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.556 -5.344 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.562 -3.831 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.891 -5.032 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.179 -3.925 -0.562 1.00 0.00 H new ATOM 281 N VAL A 22 7.789 -0.575 -2.566 1.00 0.00 N ATOM 282 CA VAL A 22 7.941 0.653 -1.793 1.00 0.00 C ATOM 283 C VAL A 22 6.616 1.079 -1.171 1.00 0.00 C ATOM 284 O VAL A 22 5.557 0.944 -1.785 1.00 0.00 O ATOM 285 CB VAL A 22 8.479 1.802 -2.666 1.00 0.00 C ATOM 286 CG1 VAL A 22 8.608 3.078 -1.849 1.00 0.00 C ATOM 287 CG2 VAL A 22 9.814 1.419 -3.287 1.00 0.00 C ATOM 0 H VAL A 22 7.408 -0.440 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 22 8.659 0.441 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 22 7.769 1.986 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.990 3.879 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.631 3.360 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.297 2.912 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.179 2.242 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.535 1.207 -2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.685 0.533 -3.908 1.00 0.00 H new ATOM 297 N LYS A 23 6.682 1.595 0.051 1.00 0.00 N ATOM 298 CA LYS A 23 5.488 2.043 0.758 1.00 0.00 C ATOM 299 C LYS A 23 4.691 3.028 -0.092 1.00 0.00 C ATOM 300 O LYS A 23 5.248 3.873 -0.793 1.00 0.00 O ATOM 301 CB LYS A 23 5.872 2.695 2.088 1.00 0.00 C ATOM 302 CG LYS A 23 6.411 4.107 1.940 1.00 0.00 C ATOM 303 CD LYS A 23 6.440 4.836 3.273 1.00 0.00 C ATOM 304 CE LYS A 23 6.938 6.265 3.116 1.00 0.00 C ATOM 305 NZ LYS A 23 6.570 7.112 4.284 1.00 0.00 N ATOM 0 H LYS A 23 7.550 1.714 0.573 1.00 0.00 H new ATOM 0 HA LYS A 23 4.864 1.171 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.998 2.715 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.623 2.078 2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.417 4.071 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.792 4.661 1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.440 4.844 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.085 4.299 3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.022 6.261 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.519 6.698 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.564 8.112 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.625 6.843 4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.264 6.973 5.046 1.00 0.00 H new ATOM 319 N PRO A 24 3.355 2.920 -0.028 1.00 0.00 N ATOM 320 CA PRO A 24 2.453 3.795 -0.784 1.00 0.00 C ATOM 321 C PRO A 24 2.461 5.227 -0.260 1.00 0.00 C ATOM 322 O PRO A 24 2.453 5.456 0.950 1.00 0.00 O ATOM 323 CB PRO A 24 1.079 3.155 -0.572 1.00 0.00 C ATOM 324 CG PRO A 24 1.199 2.416 0.716 1.00 0.00 C ATOM 325 CD PRO A 24 2.623 1.936 0.787 1.00 0.00 C ATOM 0 HA PRO A 24 2.744 3.874 -1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.294 3.910 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.825 2.483 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.963 3.063 1.561 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.503 1.578 0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.989 1.913 1.814 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.727 0.927 0.389 1.00 0.00 H new ATOM 333 N VAL A 25 2.475 6.188 -1.178 1.00 0.00 N ATOM 334 CA VAL A 25 2.481 7.598 -0.808 1.00 0.00 C ATOM 335 C VAL A 25 1.087 8.203 -0.923 1.00 0.00 C ATOM 336 O VAL A 25 0.478 8.186 -1.992 1.00 0.00 O ATOM 337 CB VAL A 25 3.453 8.405 -1.689 1.00 0.00 C ATOM 338 CG1 VAL A 25 3.401 9.882 -1.329 1.00 0.00 C ATOM 339 CG2 VAL A 25 4.869 7.864 -1.554 1.00 0.00 C ATOM 0 H VAL A 25 2.482 6.016 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 25 2.812 7.651 0.229 1.00 0.00 H new ATOM 0 HB VAL A 25 3.146 8.299 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.095 10.435 -1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.390 10.259 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.681 10.012 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.542 8.446 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.189 7.938 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.891 6.820 -1.867 1.00 0.00 H new ATOM 349 N ALA A 26 0.586 8.738 0.186 1.00 0.00 N ATOM 350 CA ALA A 26 -0.736 9.351 0.209 1.00 0.00 C ATOM 351 C ALA A 26 -0.690 10.776 -0.331 1.00 0.00 C ATOM 352 O ALA A 26 0.067 11.613 0.162 1.00 0.00 O ATOM 353 CB ALA A 26 -1.299 9.338 1.623 1.00 0.00 C ATOM 0 H ALA A 26 1.076 8.759 1.080 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.392 8.767 -0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.287 9.799 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.378 8.309 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.636 9.897 2.284 1.00 0.00 H new ATOM 359 N SER A 27 -1.503 11.046 -1.347 1.00 0.00 N ATOM 360 CA SER A 27 -1.552 12.369 -1.957 1.00 0.00 C ATOM 361 C SER A 27 -2.995 12.821 -2.160 1.00 0.00 C ATOM 362 O SER A 27 -3.935 12.078 -1.880 1.00 0.00 O ATOM 363 CB SER A 27 -0.814 12.363 -3.297 1.00 0.00 C ATOM 364 OG SER A 27 0.569 12.113 -3.117 1.00 0.00 O ATOM 0 H SER A 27 -2.137 10.365 -1.765 1.00 0.00 H new ATOM 0 HA SER A 27 -1.061 13.071 -1.283 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.243 11.601 -3.948 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.951 13.323 -3.796 1.00 0.00 H new ATOM 0 HG SER A 27 1.018 12.113 -3.988 1.00 0.00 H new ATOM 370 N ASP A 28 -3.161 14.045 -2.648 1.00 0.00 N ATOM 371 CA ASP A 28 -4.489 14.598 -2.890 1.00 0.00 C ATOM 372 C ASP A 28 -5.489 14.077 -1.864 1.00 0.00 C ATOM 373 O ASP A 28 -6.635 13.774 -2.198 1.00 0.00 O ATOM 374 CB ASP A 28 -4.960 14.249 -4.303 1.00 0.00 C ATOM 375 CG ASP A 28 -4.561 15.298 -5.322 1.00 0.00 C ATOM 376 OD1 ASP A 28 -4.315 16.454 -4.919 1.00 0.00 O ATOM 377 OD2 ASP A 28 -4.494 14.962 -6.523 1.00 0.00 O ATOM 0 H ASP A 28 -2.393 14.673 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.428 15.682 -2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.542 13.286 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.044 14.139 -4.305 1.00 0.00 H new ATOM 382 N ILE A 29 -5.049 13.975 -0.614 1.00 0.00 N ATOM 383 CA ILE A 29 -5.906 13.491 0.461 1.00 0.00 C ATOM 384 C ILE A 29 -7.144 14.368 0.614 1.00 0.00 C ATOM 385 O ILE A 29 -7.040 15.588 0.737 1.00 0.00 O ATOM 386 CB ILE A 29 -5.153 13.446 1.804 1.00 0.00 C ATOM 387 CG1 ILE A 29 -3.948 12.508 1.707 1.00 0.00 C ATOM 388 CG2 ILE A 29 -6.088 13.003 2.920 1.00 0.00 C ATOM 389 CD1 ILE A 29 -2.804 12.900 2.615 1.00 0.00 C ATOM 0 H ILE A 29 -4.104 14.221 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.211 12.480 0.191 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.791 14.448 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.266 11.495 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.594 12.490 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.542 12.976 3.863 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.917 13.706 3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.476 12.009 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.984 12.192 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.460 13.901 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.142 12.890 3.651 1.00 0.00 H new ATOM 401 N GLN A 30 -8.314 13.737 0.606 1.00 0.00 N ATOM 402 CA GLN A 30 -9.572 14.461 0.745 1.00 0.00 C ATOM 403 C GLN A 30 -10.285 14.069 2.036 1.00 0.00 C ATOM 404 O GLN A 30 -9.752 13.312 2.846 1.00 0.00 O ATOM 405 CB GLN A 30 -10.479 14.185 -0.456 1.00 0.00 C ATOM 406 CG GLN A 30 -10.326 15.198 -1.578 1.00 0.00 C ATOM 407 CD GLN A 30 -10.594 14.600 -2.945 1.00 0.00 C ATOM 408 OE1 GLN A 30 -11.738 14.540 -3.396 1.00 0.00 O ATOM 409 NE2 GLN A 30 -9.537 14.153 -3.614 1.00 0.00 N ATOM 0 H GLN A 30 -8.417 12.727 0.505 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.347 15.527 0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.262 13.190 -0.844 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.517 14.178 -0.123 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.011 16.029 -1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.316 15.608 -1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.606 14.222 -3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.656 13.740 -4.539 1.00 0.00 H new ATOM 418 N ALA A 31 -11.493 14.591 2.220 1.00 0.00 N ATOM 419 CA ALA A 31 -12.280 14.296 3.411 1.00 0.00 C ATOM 420 C ALA A 31 -12.126 12.835 3.821 1.00 0.00 C ATOM 421 O ALA A 31 -11.454 12.524 4.805 1.00 0.00 O ATOM 422 CB ALA A 31 -13.745 14.627 3.172 1.00 0.00 C ATOM 0 H ALA A 31 -11.948 15.221 1.559 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.908 14.917 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.320 14.401 4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.845 15.686 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.122 14.031 2.341 1.00 0.00 H new ATOM 428 N ARG A 32 -12.753 11.943 3.062 1.00 0.00 N ATOM 429 CA ARG A 32 -12.687 10.515 3.348 1.00 0.00 C ATOM 430 C ARG A 32 -11.904 9.779 2.265 1.00 0.00 C ATOM 431 O ARG A 32 -11.314 8.727 2.516 1.00 0.00 O ATOM 432 CB ARG A 32 -14.097 9.930 3.460 1.00 0.00 C ATOM 433 CG ARG A 32 -15.143 10.942 3.898 1.00 0.00 C ATOM 434 CD ARG A 32 -15.871 11.542 2.705 1.00 0.00 C ATOM 435 NE ARG A 32 -17.283 11.782 2.990 1.00 0.00 N ATOM 436 CZ ARG A 32 -17.712 12.640 3.908 1.00 0.00 C ATOM 437 NH1 ARG A 32 -16.843 13.337 4.627 1.00 0.00 N ATOM 438 NH2 ARG A 32 -19.014 12.803 4.109 1.00 0.00 N ATOM 0 H ARG A 32 -13.313 12.184 2.244 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.170 10.384 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.387 9.515 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.083 9.104 4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.862 10.460 4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.665 11.736 4.471 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.393 12.480 2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.783 10.870 1.851 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.978 11.262 2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.842 13.215 4.476 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.176 13.995 5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.686 12.269 3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.343 13.462 4.814 1.00 0.00 H new ATOM 452 N THR A 33 -11.904 10.337 1.059 1.00 0.00 N ATOM 453 CA THR A 33 -11.195 9.734 -0.062 1.00 0.00 C ATOM 454 C THR A 33 -9.782 10.292 -0.185 1.00 0.00 C ATOM 455 O THR A 33 -9.527 11.446 0.163 1.00 0.00 O ATOM 456 CB THR A 33 -11.943 9.965 -1.389 1.00 0.00 C ATOM 457 OG1 THR A 33 -12.187 11.363 -1.577 1.00 0.00 O ATOM 458 CG2 THR A 33 -13.263 9.208 -1.406 1.00 0.00 C ATOM 0 H THR A 33 -12.388 11.206 0.834 1.00 0.00 H new ATOM 0 HA THR A 33 -11.143 8.664 0.137 1.00 0.00 H new ATOM 0 HB THR A 33 -11.319 9.593 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.661 11.501 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.773 9.387 -2.353 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.072 8.141 -1.293 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.891 9.553 -0.585 1.00 0.00 H new ATOM 466 N VAL A 34 -8.866 9.468 -0.681 1.00 0.00 N ATOM 467 CA VAL A 34 -7.478 9.880 -0.852 1.00 0.00 C ATOM 468 C VAL A 34 -6.859 9.233 -2.085 1.00 0.00 C ATOM 469 O VAL A 34 -7.459 8.354 -2.706 1.00 0.00 O ATOM 470 CB VAL A 34 -6.630 9.520 0.383 1.00 0.00 C ATOM 471 CG1 VAL A 34 -7.409 9.785 1.662 1.00 0.00 C ATOM 472 CG2 VAL A 34 -6.179 8.069 0.315 1.00 0.00 C ATOM 0 H VAL A 34 -9.060 8.510 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.483 10.963 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.742 10.153 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.794 9.525 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.677 10.840 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.316 9.180 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.581 7.832 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.052 7.418 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.580 7.916 -0.582 1.00 0.00 H new ATOM 482 N VAL A 35 -5.655 9.673 -2.437 1.00 0.00 N ATOM 483 CA VAL A 35 -4.953 9.135 -3.596 1.00 0.00 C ATOM 484 C VAL A 35 -3.702 8.372 -3.176 1.00 0.00 C ATOM 485 O VAL A 35 -2.666 8.969 -2.883 1.00 0.00 O ATOM 486 CB VAL A 35 -4.554 10.252 -4.578 1.00 0.00 C ATOM 487 CG1 VAL A 35 -3.638 9.707 -5.664 1.00 0.00 C ATOM 488 CG2 VAL A 35 -5.792 10.894 -5.186 1.00 0.00 C ATOM 0 H VAL A 35 -5.145 10.401 -1.936 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.641 8.452 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.009 11.018 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.367 10.511 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.736 9.299 -5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.154 8.921 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.491 11.681 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.367 10.139 -5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.406 11.322 -4.394 1.00 0.00 H new ATOM 498 N LEU A 36 -3.805 7.047 -3.150 1.00 0.00 N ATOM 499 CA LEU A 36 -2.681 6.200 -2.766 1.00 0.00 C ATOM 500 C LEU A 36 -1.915 5.722 -3.995 1.00 0.00 C ATOM 501 O LEU A 36 -2.420 4.922 -4.783 1.00 0.00 O ATOM 502 CB LEU A 36 -3.175 4.998 -1.959 1.00 0.00 C ATOM 503 CG LEU A 36 -2.130 4.297 -1.091 1.00 0.00 C ATOM 504 CD1 LEU A 36 -1.623 5.233 -0.005 1.00 0.00 C ATOM 505 CD2 LEU A 36 -2.709 3.030 -0.478 1.00 0.00 C ATOM 0 H LEU A 36 -4.655 6.537 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.006 6.792 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.990 5.328 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.592 4.267 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.288 4.018 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.880 4.717 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.169 6.111 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.456 5.543 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.951 2.544 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.569 3.285 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.022 2.352 -1.272 1.00 0.00 H new ATOM 517 N THR A 37 -0.691 6.215 -4.153 1.00 0.00 N ATOM 518 CA THR A 37 0.146 5.838 -5.285 1.00 0.00 C ATOM 519 C THR A 37 1.425 5.153 -4.819 1.00 0.00 C ATOM 520 O THR A 37 2.211 5.730 -4.067 1.00 0.00 O ATOM 521 CB THR A 37 0.516 7.063 -6.143 1.00 0.00 C ATOM 522 OG1 THR A 37 -0.658 7.827 -6.437 1.00 0.00 O ATOM 523 CG2 THR A 37 1.186 6.633 -7.439 1.00 0.00 C ATOM 0 H THR A 37 -0.257 6.877 -3.510 1.00 0.00 H new ATOM 0 HA THR A 37 -0.436 5.142 -5.890 1.00 0.00 H new ATOM 0 HB THR A 37 1.216 7.678 -5.577 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.414 8.605 -6.981 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.438 7.515 -8.028 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.095 6.077 -7.211 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.505 5.999 -8.008 1.00 0.00 H new ATOM 531 N TRP A 38 1.629 3.921 -5.270 1.00 0.00 N ATOM 532 CA TRP A 38 2.815 3.157 -4.899 1.00 0.00 C ATOM 533 C TRP A 38 3.516 2.605 -6.135 1.00 0.00 C ATOM 534 O TRP A 38 2.950 2.596 -7.228 1.00 0.00 O ATOM 535 CB TRP A 38 2.436 2.012 -3.958 1.00 0.00 C ATOM 536 CG TRP A 38 1.515 1.009 -4.583 1.00 0.00 C ATOM 537 CD1 TRP A 38 1.872 -0.089 -5.312 1.00 0.00 C ATOM 538 CD2 TRP A 38 0.084 1.014 -4.537 1.00 0.00 C ATOM 539 NE1 TRP A 38 0.749 -0.767 -5.722 1.00 0.00 N ATOM 540 CE2 TRP A 38 -0.360 -0.111 -5.259 1.00 0.00 C ATOM 541 CE3 TRP A 38 -0.865 1.859 -3.955 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.711 -0.411 -5.413 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -2.206 1.560 -4.109 1.00 0.00 C ATOM 544 CH2 TRP A 38 -2.619 0.433 -4.832 1.00 0.00 C ATOM 0 H TRP A 38 0.989 3.429 -5.893 1.00 0.00 H new ATOM 0 HA TRP A 38 3.502 3.828 -4.384 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.344 1.506 -3.630 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.961 2.425 -3.068 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.888 -0.382 -5.534 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.743 -1.620 -6.281 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.556 2.730 -3.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.031 -1.279 -5.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.948 2.206 -3.664 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.674 0.226 -4.933 1.00 0.00 H new ATOM 555 N SER A 39 4.750 2.144 -5.955 1.00 0.00 N ATOM 556 CA SER A 39 5.529 1.593 -7.057 1.00 0.00 C ATOM 557 C SER A 39 5.679 0.082 -6.914 1.00 0.00 C ATOM 558 O SER A 39 5.570 -0.478 -5.823 1.00 0.00 O ATOM 559 CB SER A 39 6.908 2.252 -7.114 1.00 0.00 C ATOM 560 OG SER A 39 6.858 3.482 -7.815 1.00 0.00 O ATOM 0 H SER A 39 5.232 2.141 -5.056 1.00 0.00 H new ATOM 0 HA SER A 39 4.997 1.801 -7.985 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.275 2.422 -6.102 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.615 1.581 -7.601 1.00 0.00 H new ATOM 0 HG SER A 39 7.752 3.883 -7.835 1.00 0.00 H new ATOM 566 N PRO A 40 5.936 -0.596 -8.042 1.00 0.00 N ATOM 567 CA PRO A 40 6.108 -2.052 -8.070 1.00 0.00 C ATOM 568 C PRO A 40 7.401 -2.496 -7.393 1.00 0.00 C ATOM 569 O PRO A 40 8.312 -1.701 -7.159 1.00 0.00 O ATOM 570 CB PRO A 40 6.149 -2.376 -9.565 1.00 0.00 C ATOM 571 CG PRO A 40 6.624 -1.121 -10.212 1.00 0.00 C ATOM 572 CD PRO A 40 6.079 0.006 -9.378 1.00 0.00 C ATOM 0 HA PRO A 40 5.313 -2.567 -7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.823 -3.207 -9.771 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.165 -2.664 -9.935 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.713 -1.089 -10.248 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.269 -1.053 -11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.757 0.859 -9.364 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.124 0.364 -9.762 1.00 0.00 H new ATOM 580 N PRO A 41 7.484 -3.795 -7.069 1.00 0.00 N ATOM 581 CA PRO A 41 8.662 -4.373 -6.415 1.00 0.00 C ATOM 582 C PRO A 41 9.872 -4.425 -7.341 1.00 0.00 C ATOM 583 O PRO A 41 9.731 -4.556 -8.557 1.00 0.00 O ATOM 584 CB PRO A 41 8.206 -5.789 -6.052 1.00 0.00 C ATOM 585 CG PRO A 41 7.128 -6.103 -7.031 1.00 0.00 C ATOM 586 CD PRO A 41 6.436 -4.799 -7.318 1.00 0.00 C ATOM 0 HA PRO A 41 8.985 -3.781 -5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.028 -6.501 -6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.836 -5.835 -5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.542 -6.534 -7.943 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.430 -6.833 -6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.072 -4.754 -8.345 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.574 -4.650 -6.668 1.00 0.00 H new ATOM 594 N SER A 42 11.062 -4.321 -6.758 1.00 0.00 N ATOM 595 CA SER A 42 12.298 -4.353 -7.532 1.00 0.00 C ATOM 596 C SER A 42 12.853 -5.771 -7.611 1.00 0.00 C ATOM 597 O SER A 42 13.339 -6.316 -6.620 1.00 0.00 O ATOM 598 CB SER A 42 13.338 -3.420 -6.909 1.00 0.00 C ATOM 599 OG SER A 42 13.000 -2.061 -7.125 1.00 0.00 O ATOM 0 H SER A 42 11.197 -4.214 -5.753 1.00 0.00 H new ATOM 0 HA SER A 42 12.074 -4.013 -8.543 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.410 -3.614 -5.839 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.319 -3.626 -7.337 1.00 0.00 H new ATOM 0 HG SER A 42 13.680 -1.486 -6.716 1.00 0.00 H new ATOM 605 N SER A 43 12.777 -6.364 -8.798 1.00 0.00 N ATOM 606 CA SER A 43 13.268 -7.721 -9.008 1.00 0.00 C ATOM 607 C SER A 43 14.780 -7.788 -8.813 1.00 0.00 C ATOM 608 O SER A 43 15.544 -7.207 -9.585 1.00 0.00 O ATOM 609 CB SER A 43 12.901 -8.208 -10.411 1.00 0.00 C ATOM 610 OG SER A 43 13.380 -7.315 -11.402 1.00 0.00 O ATOM 0 H SER A 43 12.380 -5.926 -9.629 1.00 0.00 H new ATOM 0 HA SER A 43 12.795 -8.370 -8.271 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.322 -9.200 -10.577 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.818 -8.303 -10.495 1.00 0.00 H new ATOM 0 HG SER A 43 14.266 -6.986 -11.145 1.00 0.00 H new ATOM 616 N LEU A 44 15.205 -8.501 -7.776 1.00 0.00 N ATOM 617 CA LEU A 44 16.626 -8.645 -7.478 1.00 0.00 C ATOM 618 C LEU A 44 17.243 -9.774 -8.298 1.00 0.00 C ATOM 619 O LEU A 44 18.345 -10.237 -8.004 1.00 0.00 O ATOM 620 CB LEU A 44 16.830 -8.914 -5.986 1.00 0.00 C ATOM 621 CG LEU A 44 16.129 -7.949 -5.029 1.00 0.00 C ATOM 622 CD1 LEU A 44 16.156 -8.493 -3.609 1.00 0.00 C ATOM 623 CD2 LEU A 44 16.778 -6.574 -5.088 1.00 0.00 C ATOM 0 H LEU A 44 14.587 -8.988 -7.128 1.00 0.00 H new ATOM 0 HA LEU A 44 17.124 -7.713 -7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.485 -9.925 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.899 -8.890 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 44 15.089 -7.851 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.653 -7.793 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.645 -9.455 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.190 -8.621 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.266 -5.900 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 44 17.827 -6.654 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 44 16.706 -6.181 -6.102 1.00 0.00 H new ATOM 635 N ILE A 45 16.525 -10.210 -9.328 1.00 0.00 N ATOM 636 CA ILE A 45 17.004 -11.281 -10.193 1.00 0.00 C ATOM 637 C ILE A 45 18.343 -10.920 -10.826 1.00 0.00 C ATOM 638 O ILE A 45 19.009 -11.767 -11.420 1.00 0.00 O ATOM 639 CB ILE A 45 15.990 -11.600 -11.308 1.00 0.00 C ATOM 640 CG1 ILE A 45 14.686 -12.128 -10.706 1.00 0.00 C ATOM 641 CG2 ILE A 45 16.577 -12.609 -12.284 1.00 0.00 C ATOM 642 CD1 ILE A 45 13.520 -12.095 -11.669 1.00 0.00 C ATOM 0 H ILE A 45 15.610 -9.838 -9.583 1.00 0.00 H new ATOM 0 HA ILE A 45 17.129 -12.162 -9.564 1.00 0.00 H new ATOM 0 HB ILE A 45 15.770 -10.682 -11.853 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.840 -13.153 -10.369 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.436 -11.537 -9.825 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.849 -12.825 -13.066 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.481 -12.197 -12.733 1.00 0.00 H new ATOM 0 HG23 ILE A 45 16.822 -13.529 -11.753 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.629 -12.483 -11.175 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.340 -11.068 -11.987 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.750 -12.710 -12.539 1.00 0.00 H new ATOM 654 N ASN A 46 18.732 -9.656 -10.694 1.00 0.00 N ATOM 655 CA ASN A 46 19.993 -9.182 -11.252 1.00 0.00 C ATOM 656 C ASN A 46 19.894 -9.027 -12.766 1.00 0.00 C ATOM 657 O ASN A 46 20.891 -9.131 -13.479 1.00 0.00 O ATOM 658 CB ASN A 46 21.126 -10.149 -10.901 1.00 0.00 C ATOM 659 CG ASN A 46 21.001 -10.699 -9.493 1.00 0.00 C ATOM 660 OD1 ASN A 46 20.977 -9.946 -8.520 1.00 0.00 O ATOM 661 ND2 ASN A 46 20.921 -12.020 -9.379 1.00 0.00 N ATOM 0 H ASN A 46 18.192 -8.942 -10.205 1.00 0.00 H new ATOM 0 HA ASN A 46 20.209 -8.206 -10.818 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.128 -10.975 -11.612 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.083 -9.637 -11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 46 20.836 -12.448 -8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 46 20.945 -12.606 -10.213 1.00 0.00 H new ATOM 668 N GLY A 47 18.681 -8.777 -13.252 1.00 0.00 N ATOM 669 CA GLY A 47 18.473 -8.611 -14.678 1.00 0.00 C ATOM 670 C GLY A 47 18.347 -9.935 -15.404 1.00 0.00 C ATOM 671 O GLY A 47 17.762 -10.005 -16.484 1.00 0.00 O ATOM 0 H GLY A 47 17.839 -8.687 -12.683 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.571 -8.022 -14.844 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.305 -8.047 -15.100 1.00 0.00 H new ATOM 675 N GLU A 48 18.899 -10.989 -14.810 1.00 0.00 N ATOM 676 CA GLU A 48 18.847 -12.317 -15.409 1.00 0.00 C ATOM 677 C GLU A 48 17.469 -12.592 -16.005 1.00 0.00 C ATOM 678 O GLU A 48 17.325 -13.408 -16.916 1.00 0.00 O ATOM 679 CB GLU A 48 19.185 -13.385 -14.366 1.00 0.00 C ATOM 680 CG GLU A 48 19.642 -14.702 -14.970 1.00 0.00 C ATOM 681 CD GLU A 48 20.262 -15.631 -13.944 1.00 0.00 C ATOM 682 OE1 GLU A 48 21.451 -15.438 -13.612 1.00 0.00 O ATOM 683 OE2 GLU A 48 19.560 -16.550 -13.474 1.00 0.00 O ATOM 0 H GLU A 48 19.387 -10.948 -13.915 1.00 0.00 H new ATOM 0 HA GLU A 48 19.585 -12.355 -16.210 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.968 -13.005 -13.710 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.308 -13.565 -13.745 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.791 -15.198 -15.436 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.367 -14.503 -15.759 1.00 0.00 H new ATOM 690 N THR A 49 16.457 -11.904 -15.484 1.00 0.00 N ATOM 691 CA THR A 49 15.091 -12.074 -15.962 1.00 0.00 C ATOM 692 C THR A 49 14.851 -11.274 -17.237 1.00 0.00 C ATOM 693 O THR A 49 15.467 -10.229 -17.451 1.00 0.00 O ATOM 694 CB THR A 49 14.066 -11.642 -14.898 1.00 0.00 C ATOM 695 OG1 THR A 49 12.737 -11.897 -15.365 1.00 0.00 O ATOM 696 CG2 THR A 49 14.217 -10.164 -14.568 1.00 0.00 C ATOM 0 H THR A 49 16.559 -11.224 -14.731 1.00 0.00 H new ATOM 0 HA THR A 49 14.960 -13.135 -16.172 1.00 0.00 H new ATOM 0 HB THR A 49 14.250 -12.221 -13.993 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.102 -11.773 -14.629 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.482 -9.883 -13.814 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.220 -9.977 -14.184 1.00 0.00 H new ATOM 0 HG23 THR A 49 14.057 -9.572 -15.469 1.00 0.00 H new ATOM 704 N ASP A 50 13.954 -11.770 -18.081 1.00 0.00 N ATOM 705 CA ASP A 50 13.631 -11.099 -19.335 1.00 0.00 C ATOM 706 C ASP A 50 12.728 -9.895 -19.091 1.00 0.00 C ATOM 707 O ASP A 50 11.909 -9.898 -18.172 1.00 0.00 O ATOM 708 CB ASP A 50 12.953 -12.074 -20.300 1.00 0.00 C ATOM 709 CG ASP A 50 13.234 -11.742 -21.752 1.00 0.00 C ATOM 710 OD1 ASP A 50 14.424 -11.654 -22.120 1.00 0.00 O ATOM 711 OD2 ASP A 50 12.265 -11.568 -22.520 1.00 0.00 O ATOM 0 H ASP A 50 13.437 -12.635 -17.920 1.00 0.00 H new ATOM 0 HA ASP A 50 14.562 -10.747 -19.780 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.296 -13.087 -20.089 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.877 -12.060 -20.129 1.00 0.00 H new ATOM 716 N GLU A 51 12.884 -8.866 -19.919 1.00 0.00 N ATOM 717 CA GLU A 51 12.083 -7.655 -19.790 1.00 0.00 C ATOM 718 C GLU A 51 10.595 -7.989 -19.734 1.00 0.00 C ATOM 719 O GLU A 51 9.856 -7.444 -18.914 1.00 0.00 O ATOM 720 CB GLU A 51 12.359 -6.707 -20.960 1.00 0.00 C ATOM 721 CG GLU A 51 13.577 -5.822 -20.751 1.00 0.00 C ATOM 722 CD GLU A 51 13.261 -4.576 -19.947 1.00 0.00 C ATOM 723 OE1 GLU A 51 12.270 -3.892 -20.277 1.00 0.00 O ATOM 724 OE2 GLU A 51 14.006 -4.285 -18.988 1.00 0.00 O ATOM 0 H GLU A 51 13.557 -8.847 -20.685 1.00 0.00 H new ATOM 0 HA GLU A 51 12.363 -7.164 -18.858 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.498 -7.294 -21.868 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.485 -6.076 -21.120 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.353 -6.392 -20.240 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.981 -5.531 -21.721 1.00 0.00 H new ATOM 731 N SER A 52 10.163 -8.889 -20.612 1.00 0.00 N ATOM 732 CA SER A 52 8.763 -9.294 -20.665 1.00 0.00 C ATOM 733 C SER A 52 8.512 -10.502 -19.768 1.00 0.00 C ATOM 734 O SER A 52 7.753 -11.405 -20.122 1.00 0.00 O ATOM 735 CB SER A 52 8.359 -9.620 -22.104 1.00 0.00 C ATOM 736 OG SER A 52 8.509 -8.488 -22.945 1.00 0.00 O ATOM 0 H SER A 52 10.762 -9.351 -21.296 1.00 0.00 H new ATOM 0 HA SER A 52 8.156 -8.464 -20.304 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.971 -10.440 -22.480 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.323 -9.959 -22.126 1.00 0.00 H new ATOM 0 HG SER A 52 8.246 -8.723 -23.859 1.00 0.00 H new ATOM 742 N SER A 53 9.156 -10.512 -18.605 1.00 0.00 N ATOM 743 CA SER A 53 9.006 -11.610 -17.658 1.00 0.00 C ATOM 744 C SER A 53 8.268 -11.151 -16.405 1.00 0.00 C ATOM 745 O SER A 53 7.116 -11.522 -16.178 1.00 0.00 O ATOM 746 CB SER A 53 10.377 -12.174 -17.278 1.00 0.00 C ATOM 747 OG SER A 53 10.249 -13.410 -16.598 1.00 0.00 O ATOM 0 H SER A 53 9.786 -9.772 -18.296 1.00 0.00 H new ATOM 0 HA SER A 53 8.418 -12.393 -18.138 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.979 -12.310 -18.176 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.905 -11.460 -16.645 1.00 0.00 H new ATOM 0 HG SER A 53 11.139 -13.750 -16.368 1.00 0.00 H new ATOM 753 N VAL A 54 8.939 -10.339 -15.594 1.00 0.00 N ATOM 754 CA VAL A 54 8.348 -9.827 -14.364 1.00 0.00 C ATOM 755 C VAL A 54 6.984 -9.199 -14.629 1.00 0.00 C ATOM 756 O VAL A 54 6.865 -8.174 -15.301 1.00 0.00 O ATOM 757 CB VAL A 54 9.261 -8.782 -13.695 1.00 0.00 C ATOM 758 CG1 VAL A 54 10.520 -9.441 -13.154 1.00 0.00 C ATOM 759 CG2 VAL A 54 9.609 -7.673 -14.677 1.00 0.00 C ATOM 0 H VAL A 54 9.893 -10.022 -15.767 1.00 0.00 H new ATOM 0 HA VAL A 54 8.229 -10.677 -13.693 1.00 0.00 H new ATOM 0 HB VAL A 54 8.724 -8.339 -12.857 1.00 0.00 H new ATOM 0 HG11 VAL A 54 11.153 -8.687 -12.685 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.247 -10.196 -12.416 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.064 -9.913 -13.972 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.254 -6.943 -14.188 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.127 -8.098 -15.537 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.695 -7.182 -15.011 1.00 0.00 H new ATOM 769 N PRO A 55 5.929 -9.827 -14.090 1.00 0.00 N ATOM 770 CA PRO A 55 4.553 -9.347 -14.255 1.00 0.00 C ATOM 771 C PRO A 55 4.297 -8.052 -13.492 1.00 0.00 C ATOM 772 O PRO A 55 5.045 -7.699 -12.581 1.00 0.00 O ATOM 773 CB PRO A 55 3.709 -10.485 -13.676 1.00 0.00 C ATOM 774 CG PRO A 55 4.610 -11.171 -12.708 1.00 0.00 C ATOM 775 CD PRO A 55 5.997 -11.054 -13.279 1.00 0.00 C ATOM 0 HA PRO A 55 4.323 -9.115 -15.295 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.815 -10.103 -13.183 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.375 -11.167 -14.458 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.552 -10.706 -11.724 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.326 -12.216 -12.584 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.749 -10.976 -12.494 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.257 -11.922 -13.885 1.00 0.00 H new ATOM 783 N GLU A 56 3.234 -7.348 -13.870 1.00 0.00 N ATOM 784 CA GLU A 56 2.880 -6.092 -13.221 1.00 0.00 C ATOM 785 C GLU A 56 1.457 -6.144 -12.674 1.00 0.00 C ATOM 786 O GLU A 56 0.777 -5.121 -12.581 1.00 0.00 O ATOM 787 CB GLU A 56 3.018 -4.927 -14.204 1.00 0.00 C ATOM 788 CG GLU A 56 1.972 -4.934 -15.306 1.00 0.00 C ATOM 789 CD GLU A 56 2.238 -3.886 -16.369 1.00 0.00 C ATOM 790 OE1 GLU A 56 1.846 -2.719 -16.163 1.00 0.00 O ATOM 791 OE2 GLU A 56 2.838 -4.234 -17.407 1.00 0.00 O ATOM 0 H GLU A 56 2.604 -7.627 -14.622 1.00 0.00 H new ATOM 0 HA GLU A 56 3.566 -5.938 -12.388 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.948 -3.988 -13.654 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.010 -4.959 -14.655 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.946 -5.919 -15.771 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.988 -4.762 -14.869 1.00 0.00 H new ATOM 798 N LEU A 57 1.012 -7.343 -12.313 1.00 0.00 N ATOM 799 CA LEU A 57 -0.331 -7.530 -11.775 1.00 0.00 C ATOM 800 C LEU A 57 -0.277 -7.960 -10.313 1.00 0.00 C ATOM 801 O LEU A 57 -1.209 -8.583 -9.803 1.00 0.00 O ATOM 802 CB LEU A 57 -1.090 -8.574 -12.597 1.00 0.00 C ATOM 803 CG LEU A 57 -1.449 -8.169 -14.028 1.00 0.00 C ATOM 804 CD1 LEU A 57 -2.091 -6.791 -14.048 1.00 0.00 C ATOM 805 CD2 LEU A 57 -0.214 -8.198 -14.916 1.00 0.00 C ATOM 0 H LEU A 57 1.561 -8.200 -12.383 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.856 -6.576 -11.835 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.489 -9.483 -12.638 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.011 -8.824 -12.069 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.169 -8.888 -14.419 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.339 -6.520 -15.074 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.000 -6.804 -13.446 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.395 -6.059 -13.638 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.488 -7.907 -15.930 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.530 -7.502 -14.528 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.202 -9.205 -14.927 1.00 0.00 H new ATOM 817 N TYR A 58 0.819 -7.622 -9.642 1.00 0.00 N ATOM 818 CA TYR A 58 0.994 -7.972 -8.238 1.00 0.00 C ATOM 819 C TYR A 58 -0.154 -7.429 -7.393 1.00 0.00 C ATOM 820 O TYR A 58 -0.221 -6.234 -7.111 1.00 0.00 O ATOM 821 CB TYR A 58 2.327 -7.430 -7.718 1.00 0.00 C ATOM 822 CG TYR A 58 3.510 -7.798 -8.584 1.00 0.00 C ATOM 823 CD1 TYR A 58 3.851 -9.127 -8.801 1.00 0.00 C ATOM 824 CD2 TYR A 58 4.287 -6.816 -9.187 1.00 0.00 C ATOM 825 CE1 TYR A 58 4.931 -9.467 -9.591 1.00 0.00 C ATOM 826 CE2 TYR A 58 5.369 -7.147 -9.979 1.00 0.00 C ATOM 827 CZ TYR A 58 5.687 -8.474 -10.178 1.00 0.00 C ATOM 828 OH TYR A 58 6.764 -8.809 -10.967 1.00 0.00 O ATOM 0 H TYR A 58 1.599 -7.106 -10.048 1.00 0.00 H new ATOM 0 HA TYR A 58 0.996 -9.059 -8.159 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.264 -6.344 -7.645 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.494 -7.808 -6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.261 -9.908 -8.344 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.040 -5.776 -9.034 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.183 -10.505 -9.749 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.962 -6.371 -10.440 1.00 0.00 H new ATOM 0 HH TYR A 58 6.561 -8.602 -11.903 1.00 0.00 H new ATOM 838 N GLY A 59 -1.056 -8.319 -6.990 1.00 0.00 N ATOM 839 CA GLY A 59 -2.190 -7.911 -6.181 1.00 0.00 C ATOM 840 C GLY A 59 -1.779 -7.063 -4.994 1.00 0.00 C ATOM 841 O GLY A 59 -1.217 -7.571 -4.023 1.00 0.00 O ATOM 0 H GLY A 59 -1.022 -9.315 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.891 -7.350 -6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.717 -8.797 -5.826 1.00 0.00 H new ATOM 845 N TYR A 60 -2.059 -5.767 -5.070 1.00 0.00 N ATOM 846 CA TYR A 60 -1.711 -4.845 -3.995 1.00 0.00 C ATOM 847 C TYR A 60 -2.881 -4.665 -3.032 1.00 0.00 C ATOM 848 O TYR A 60 -3.921 -4.118 -3.398 1.00 0.00 O ATOM 849 CB TYR A 60 -1.297 -3.490 -4.571 1.00 0.00 C ATOM 850 CG TYR A 60 -0.207 -3.583 -5.615 1.00 0.00 C ATOM 851 CD1 TYR A 60 1.098 -3.903 -5.259 1.00 0.00 C ATOM 852 CD2 TYR A 60 -0.481 -3.350 -6.957 1.00 0.00 C ATOM 853 CE1 TYR A 60 2.097 -3.989 -6.209 1.00 0.00 C ATOM 854 CE2 TYR A 60 0.512 -3.435 -7.914 1.00 0.00 C ATOM 855 CZ TYR A 60 1.799 -3.755 -7.535 1.00 0.00 C ATOM 856 OH TYR A 60 2.791 -3.839 -8.485 1.00 0.00 O ATOM 0 H TYR A 60 -2.526 -5.331 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.872 -5.270 -3.444 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.171 -3.010 -5.012 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.956 -2.848 -3.759 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.335 -4.088 -4.222 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.487 -3.098 -7.257 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.106 -4.238 -5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.282 -3.252 -8.953 1.00 0.00 H new ATOM 0 HH TYR A 60 2.414 -3.647 -9.369 1.00 0.00 H new ATOM 866 N GLU A 61 -2.701 -5.128 -1.799 1.00 0.00 N ATOM 867 CA GLU A 61 -3.741 -5.019 -0.783 1.00 0.00 C ATOM 868 C GLU A 61 -3.475 -3.835 0.142 1.00 0.00 C ATOM 869 O GLU A 61 -2.435 -3.765 0.796 1.00 0.00 O ATOM 870 CB GLU A 61 -3.825 -6.310 0.034 1.00 0.00 C ATOM 871 CG GLU A 61 -5.117 -6.449 0.821 1.00 0.00 C ATOM 872 CD GLU A 61 -5.712 -5.109 1.207 1.00 0.00 C ATOM 873 OE1 GLU A 61 -5.183 -4.473 2.143 1.00 0.00 O ATOM 874 OE2 GLU A 61 -6.706 -4.695 0.574 1.00 0.00 O ATOM 0 H GLU A 61 -1.845 -5.582 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.692 -4.856 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.725 -7.162 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.983 -6.348 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.841 -7.006 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.928 -7.032 1.723 1.00 0.00 H new ATOM 881 N VAL A 62 -4.423 -2.904 0.190 1.00 0.00 N ATOM 882 CA VAL A 62 -4.293 -1.723 1.035 1.00 0.00 C ATOM 883 C VAL A 62 -4.836 -1.986 2.435 1.00 0.00 C ATOM 884 O VAL A 62 -6.032 -2.220 2.615 1.00 0.00 O ATOM 885 CB VAL A 62 -5.031 -0.515 0.428 1.00 0.00 C ATOM 886 CG1 VAL A 62 -4.831 0.722 1.291 1.00 0.00 C ATOM 887 CG2 VAL A 62 -4.559 -0.263 -0.996 1.00 0.00 C ATOM 0 H VAL A 62 -5.289 -2.945 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.229 -1.495 1.099 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.097 -0.740 0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.360 1.565 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.222 0.535 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.768 0.953 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.091 0.594 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.488 -0.059 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.759 -1.143 -1.607 1.00 0.00 H new ATOM 897 N LEU A 63 -3.950 -1.945 3.424 1.00 0.00 N ATOM 898 CA LEU A 63 -4.341 -2.179 4.810 1.00 0.00 C ATOM 899 C LEU A 63 -4.176 -0.911 5.643 1.00 0.00 C ATOM 900 O LEU A 63 -3.180 -0.198 5.516 1.00 0.00 O ATOM 901 CB LEU A 63 -3.505 -3.310 5.412 1.00 0.00 C ATOM 902 CG LEU A 63 -3.450 -4.607 4.604 1.00 0.00 C ATOM 903 CD1 LEU A 63 -2.262 -5.453 5.033 1.00 0.00 C ATOM 904 CD2 LEU A 63 -4.747 -5.388 4.760 1.00 0.00 C ATOM 0 H LEU A 63 -2.957 -1.752 3.292 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.392 -2.466 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.486 -2.948 5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.899 -3.539 6.402 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.327 -4.352 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.239 -6.372 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.340 -4.895 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.354 -5.699 6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.690 -6.308 4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.900 -5.632 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.581 -4.784 4.403 1.00 0.00 H new ATOM 916 N ILE A 64 -5.158 -0.638 6.496 1.00 0.00 N ATOM 917 CA ILE A 64 -5.120 0.541 7.351 1.00 0.00 C ATOM 918 C ILE A 64 -5.568 0.206 8.770 1.00 0.00 C ATOM 919 O ILE A 64 -6.219 -0.813 9.002 1.00 0.00 O ATOM 920 CB ILE A 64 -6.011 1.668 6.797 1.00 0.00 C ATOM 921 CG1 ILE A 64 -7.476 1.228 6.779 1.00 0.00 C ATOM 922 CG2 ILE A 64 -5.555 2.066 5.401 1.00 0.00 C ATOM 923 CD1 ILE A 64 -8.447 2.366 6.558 1.00 0.00 C ATOM 0 H ILE A 64 -5.989 -1.218 6.613 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.085 0.883 7.370 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.920 2.536 7.449 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.614 0.486 5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.711 0.739 7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.195 2.864 5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.524 2.416 5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.620 1.204 4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.466 1.980 6.557 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.337 3.098 7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.238 2.841 5.600 1.00 0.00 H new ATOM 935 N SER A 65 -5.215 1.070 9.716 1.00 0.00 N ATOM 936 CA SER A 65 -5.579 0.865 11.113 1.00 0.00 C ATOM 937 C SER A 65 -5.869 2.196 11.800 1.00 0.00 C ATOM 938 O SER A 65 -4.957 2.971 12.088 1.00 0.00 O ATOM 939 CB SER A 65 -4.458 0.131 11.851 1.00 0.00 C ATOM 940 OG SER A 65 -3.252 0.875 11.818 1.00 0.00 O ATOM 0 H SER A 65 -4.677 1.919 9.541 1.00 0.00 H new ATOM 0 HA SER A 65 -6.483 0.257 11.142 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.753 -0.043 12.886 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.298 -0.847 11.396 1.00 0.00 H new ATOM 0 HG SER A 65 -3.459 1.832 11.770 1.00 0.00 H new ATOM 946 N SER A 66 -7.147 2.454 12.059 1.00 0.00 N ATOM 947 CA SER A 66 -7.560 3.693 12.709 1.00 0.00 C ATOM 948 C SER A 66 -7.095 3.726 14.162 1.00 0.00 C ATOM 949 O SER A 66 -6.777 4.786 14.701 1.00 0.00 O ATOM 950 CB SER A 66 -9.081 3.845 12.645 1.00 0.00 C ATOM 951 OG SER A 66 -9.725 2.871 13.447 1.00 0.00 O ATOM 0 H SER A 66 -7.914 1.822 11.829 1.00 0.00 H new ATOM 0 HA SER A 66 -7.096 4.524 12.178 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.364 4.842 12.981 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.416 3.749 11.612 1.00 0.00 H new ATOM 0 HG SER A 66 -10.696 2.991 13.390 1.00 0.00 H new ATOM 957 N THR A 67 -7.058 2.555 14.791 1.00 0.00 N ATOM 958 CA THR A 67 -6.634 2.448 16.181 1.00 0.00 C ATOM 959 C THR A 67 -5.114 2.427 16.292 1.00 0.00 C ATOM 960 O THR A 67 -4.534 1.486 16.832 1.00 0.00 O ATOM 961 CB THR A 67 -7.203 1.180 16.846 1.00 0.00 C ATOM 962 OG1 THR A 67 -8.536 0.939 16.381 1.00 0.00 O ATOM 963 CG2 THR A 67 -7.207 1.319 18.361 1.00 0.00 C ATOM 0 H THR A 67 -7.317 1.668 14.359 1.00 0.00 H new ATOM 0 HA THR A 67 -7.022 3.326 16.698 1.00 0.00 H new ATOM 0 HB THR A 67 -6.566 0.338 16.576 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.890 0.130 16.807 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.613 0.412 18.809 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.188 1.473 18.715 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.823 2.172 18.647 1.00 0.00 H new ATOM 971 N GLY A 68 -4.473 3.473 15.778 1.00 0.00 N ATOM 972 CA GLY A 68 -3.025 3.554 15.831 1.00 0.00 C ATOM 973 C GLY A 68 -2.353 2.460 15.026 1.00 0.00 C ATOM 974 O GLY A 68 -2.967 1.438 14.718 1.00 0.00 O ATOM 0 H GLY A 68 -4.931 4.265 15.326 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.705 4.526 15.456 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.698 3.490 16.869 1.00 0.00 H new ATOM 978 N LYS A 69 -1.087 2.672 14.683 1.00 0.00 N ATOM 979 CA LYS A 69 -0.330 1.696 13.908 1.00 0.00 C ATOM 980 C LYS A 69 -0.243 0.364 14.647 1.00 0.00 C ATOM 981 O LYS A 69 -0.342 -0.701 14.039 1.00 0.00 O ATOM 982 CB LYS A 69 1.077 2.224 13.620 1.00 0.00 C ATOM 983 CG LYS A 69 1.985 1.205 12.952 1.00 0.00 C ATOM 984 CD LYS A 69 3.092 1.879 12.159 1.00 0.00 C ATOM 985 CE LYS A 69 4.144 2.484 13.075 1.00 0.00 C ATOM 986 NZ LYS A 69 5.153 1.476 13.504 1.00 0.00 N ATOM 0 H LYS A 69 -0.563 3.512 14.930 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.851 1.535 12.964 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.002 3.105 12.982 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.533 2.546 14.556 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.423 0.555 13.709 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.396 0.571 12.289 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.560 1.152 11.496 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.666 2.659 11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.646 3.303 12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.659 2.909 13.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.852 1.928 14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.678 0.706 14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.634 1.089 12.667 1.00 0.00 H new ATOM 1000 N ASP A 70 -0.059 0.433 15.961 1.00 0.00 N ATOM 1001 CA ASP A 70 0.039 -0.767 16.783 1.00 0.00 C ATOM 1002 C ASP A 70 -1.345 -1.340 17.075 1.00 0.00 C ATOM 1003 O ASP A 70 -1.659 -1.681 18.214 1.00 0.00 O ATOM 1004 CB ASP A 70 0.762 -0.456 18.095 1.00 0.00 C ATOM 1005 CG ASP A 70 -0.154 0.175 19.125 1.00 0.00 C ATOM 1006 OD1 ASP A 70 -1.145 0.820 18.723 1.00 0.00 O ATOM 1007 OD2 ASP A 70 0.120 0.024 20.335 1.00 0.00 O ATOM 0 H ASP A 70 0.025 1.307 16.479 1.00 0.00 H new ATOM 0 HA ASP A 70 0.612 -1.511 16.229 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.182 -1.376 18.502 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.597 0.215 17.896 1.00 0.00 H new ATOM 1012 N GLY A 71 -2.168 -1.442 16.036 1.00 0.00 N ATOM 1013 CA GLY A 71 -3.509 -1.973 16.201 1.00 0.00 C ATOM 1014 C GLY A 71 -3.822 -3.076 15.210 1.00 0.00 C ATOM 1015 O GLY A 71 -2.937 -3.833 14.810 1.00 0.00 O ATOM 0 H GLY A 71 -1.930 -1.167 15.083 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.622 -2.357 17.215 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.233 -1.167 16.083 1.00 0.00 H new ATOM 1019 N LYS A 72 -5.087 -3.170 14.812 1.00 0.00 N ATOM 1020 CA LYS A 72 -5.516 -4.188 13.861 1.00 0.00 C ATOM 1021 C LYS A 72 -5.649 -3.603 12.459 1.00 0.00 C ATOM 1022 O LYS A 72 -6.198 -2.516 12.279 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.851 -4.794 14.300 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.422 -5.793 13.308 1.00 0.00 C ATOM 1025 CD LYS A 72 -8.307 -5.111 12.278 1.00 0.00 C ATOM 1026 CE LYS A 72 -9.666 -4.754 12.860 1.00 0.00 C ATOM 1027 NZ LYS A 72 -10.598 -4.241 11.818 1.00 0.00 N ATOM 0 H LYS A 72 -5.833 -2.553 15.134 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.757 -4.970 13.838 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.717 -5.287 15.263 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.573 -3.991 14.450 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.607 -6.312 12.803 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.999 -6.548 13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.816 -4.207 11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.439 -5.768 11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.100 -5.634 13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.541 -4.001 13.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.579 -4.344 12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.397 -3.237 11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.470 -4.784 10.940 1.00 0.00 H new ATOM 1041 N TYR A 73 -5.143 -4.330 11.469 1.00 0.00 N ATOM 1042 CA TYR A 73 -5.205 -3.882 10.083 1.00 0.00 C ATOM 1043 C TYR A 73 -6.291 -4.629 9.316 1.00 0.00 C ATOM 1044 O TYR A 73 -6.527 -5.815 9.547 1.00 0.00 O ATOM 1045 CB TYR A 73 -3.851 -4.084 9.399 1.00 0.00 C ATOM 1046 CG TYR A 73 -2.838 -3.013 9.734 1.00 0.00 C ATOM 1047 CD1 TYR A 73 -2.225 -2.975 10.981 1.00 0.00 C ATOM 1048 CD2 TYR A 73 -2.494 -2.039 8.805 1.00 0.00 C ATOM 1049 CE1 TYR A 73 -1.299 -1.998 11.292 1.00 0.00 C ATOM 1050 CE2 TYR A 73 -1.568 -1.059 9.107 1.00 0.00 C ATOM 1051 CZ TYR A 73 -0.973 -1.043 10.351 1.00 0.00 C ATOM 1052 OH TYR A 73 -0.051 -0.068 10.656 1.00 0.00 O ATOM 0 H TYR A 73 -4.685 -5.232 11.601 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.451 -2.820 10.082 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.449 -5.055 9.687 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.999 -4.108 8.319 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.477 -3.722 11.719 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.958 -2.048 7.830 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.833 -1.982 12.266 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.312 -0.310 8.373 1.00 0.00 H new ATOM 0 HH TYR A 73 0.066 0.525 9.884 1.00 0.00 H new ATOM 1062 N LYS A 74 -6.951 -3.926 8.401 1.00 0.00 N ATOM 1063 CA LYS A 74 -8.012 -4.521 7.597 1.00 0.00 C ATOM 1064 C LYS A 74 -7.884 -4.106 6.135 1.00 0.00 C ATOM 1065 O LYS A 74 -7.390 -3.021 5.829 1.00 0.00 O ATOM 1066 CB LYS A 74 -9.382 -4.107 8.138 1.00 0.00 C ATOM 1067 CG LYS A 74 -9.791 -2.698 7.745 1.00 0.00 C ATOM 1068 CD LYS A 74 -10.834 -2.134 8.695 1.00 0.00 C ATOM 1069 CE LYS A 74 -10.997 -0.633 8.518 1.00 0.00 C ATOM 1070 NZ LYS A 74 -10.069 0.134 9.395 1.00 0.00 N ATOM 0 H LYS A 74 -6.769 -2.943 8.198 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.916 -5.605 7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.133 -4.809 7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.372 -4.183 9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.914 -2.051 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.187 -2.703 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.790 -2.628 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.546 -2.351 9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.814 -0.368 7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.025 -0.351 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.212 1.153 9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.260 -0.099 10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.086 -0.116 9.163 1.00 0.00 H new ATOM 1084 N SER A 75 -8.333 -4.976 5.236 1.00 0.00 N ATOM 1085 CA SER A 75 -8.266 -4.701 3.806 1.00 0.00 C ATOM 1086 C SER A 75 -9.408 -3.786 3.375 1.00 0.00 C ATOM 1087 O SER A 75 -10.566 -4.009 3.731 1.00 0.00 O ATOM 1088 CB SER A 75 -8.315 -6.007 3.010 1.00 0.00 C ATOM 1089 OG SER A 75 -9.558 -6.664 3.186 1.00 0.00 O ATOM 0 H SER A 75 -8.747 -5.877 5.473 1.00 0.00 H new ATOM 0 HA SER A 75 -7.322 -4.196 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.157 -5.798 1.952 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.505 -6.662 3.330 1.00 0.00 H new ATOM 0 HG SER A 75 -10.217 -6.029 3.537 1.00 0.00 H new ATOM 1095 N VAL A 76 -9.075 -2.755 2.605 1.00 0.00 N ATOM 1096 CA VAL A 76 -10.072 -1.807 2.123 1.00 0.00 C ATOM 1097 C VAL A 76 -10.238 -1.904 0.611 1.00 0.00 C ATOM 1098 O VAL A 76 -11.328 -1.689 0.080 1.00 0.00 O ATOM 1099 CB VAL A 76 -9.696 -0.360 2.495 1.00 0.00 C ATOM 1100 CG1 VAL A 76 -9.787 -0.155 4.000 1.00 0.00 C ATOM 1101 CG2 VAL A 76 -8.302 -0.025 1.986 1.00 0.00 C ATOM 0 H VAL A 76 -8.122 -2.555 2.302 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.014 -2.066 2.606 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.405 0.316 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.518 0.873 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.806 -0.352 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.102 -0.838 4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.052 1.001 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.578 -0.705 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.276 -0.130 0.901 1.00 0.00 H new ATOM 1111 N TYR A 77 -9.150 -2.230 -0.078 1.00 0.00 N ATOM 1112 CA TYR A 77 -9.174 -2.354 -1.531 1.00 0.00 C ATOM 1113 C TYR A 77 -8.160 -3.391 -2.006 1.00 0.00 C ATOM 1114 O TYR A 77 -7.035 -3.449 -1.509 1.00 0.00 O ATOM 1115 CB TYR A 77 -8.881 -1.002 -2.184 1.00 0.00 C ATOM 1116 CG TYR A 77 -8.533 -1.102 -3.652 1.00 0.00 C ATOM 1117 CD1 TYR A 77 -7.276 -1.530 -4.061 1.00 0.00 C ATOM 1118 CD2 TYR A 77 -9.462 -0.768 -4.631 1.00 0.00 C ATOM 1119 CE1 TYR A 77 -6.954 -1.622 -5.401 1.00 0.00 C ATOM 1120 CE2 TYR A 77 -9.148 -0.859 -5.973 1.00 0.00 C ATOM 1121 CZ TYR A 77 -7.893 -1.285 -6.353 1.00 0.00 C ATOM 1122 OH TYR A 77 -7.576 -1.377 -7.689 1.00 0.00 O ATOM 0 H TYR A 77 -8.241 -2.413 0.346 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.170 -2.684 -1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.751 -0.356 -2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.056 -0.524 -1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.538 -1.795 -3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.445 -0.432 -4.337 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.972 -1.956 -5.702 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.882 -0.598 -6.721 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.348 -1.104 -8.228 1.00 0.00 H new ATOM 1132 N VAL A 78 -8.568 -4.208 -2.972 1.00 0.00 N ATOM 1133 CA VAL A 78 -7.696 -5.242 -3.517 1.00 0.00 C ATOM 1134 C VAL A 78 -7.741 -5.252 -5.040 1.00 0.00 C ATOM 1135 O VAL A 78 -8.742 -5.641 -5.640 1.00 0.00 O ATOM 1136 CB VAL A 78 -8.087 -6.638 -2.994 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -7.120 -7.691 -3.512 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -8.130 -6.643 -1.473 1.00 0.00 C ATOM 0 H VAL A 78 -9.496 -4.174 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.683 -5.008 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.083 -6.881 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.411 -8.670 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.144 -7.702 -4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.111 -7.456 -3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.408 -7.636 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.148 -6.380 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.865 -5.916 -1.127 1.00 0.00 H new ATOM 1148 N GLY A 79 -6.647 -4.820 -5.662 1.00 0.00 N ATOM 1149 CA GLY A 79 -6.582 -4.788 -7.111 1.00 0.00 C ATOM 1150 C GLY A 79 -5.180 -5.035 -7.634 1.00 0.00 C ATOM 1151 O GLY A 79 -4.335 -5.582 -6.926 1.00 0.00 O ATOM 0 H GLY A 79 -5.806 -4.492 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.256 -5.541 -7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.934 -3.819 -7.466 1.00 0.00 H new ATOM 1155 N GLU A 80 -4.934 -4.632 -8.877 1.00 0.00 N ATOM 1156 CA GLU A 80 -3.626 -4.817 -9.494 1.00 0.00 C ATOM 1157 C GLU A 80 -2.977 -3.471 -9.805 1.00 0.00 C ATOM 1158 O GLU A 80 -1.755 -3.334 -9.755 1.00 0.00 O ATOM 1159 CB GLU A 80 -3.753 -5.642 -10.775 1.00 0.00 C ATOM 1160 CG GLU A 80 -4.286 -7.047 -10.544 1.00 0.00 C ATOM 1161 CD GLU A 80 -5.729 -7.054 -10.078 1.00 0.00 C ATOM 1162 OE1 GLU A 80 -6.433 -6.049 -10.314 1.00 0.00 O ATOM 1163 OE2 GLU A 80 -6.154 -8.062 -9.477 1.00 0.00 O ATOM 0 H GLU A 80 -5.623 -4.176 -9.476 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.992 -5.353 -8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.413 -5.121 -11.468 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.776 -5.707 -11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.204 -7.619 -11.468 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.666 -7.549 -9.802 1.00 0.00 H new ATOM 1170 N GLU A 81 -3.805 -2.482 -10.127 1.00 0.00 N ATOM 1171 CA GLU A 81 -3.311 -1.148 -10.448 1.00 0.00 C ATOM 1172 C GLU A 81 -2.317 -0.667 -9.395 1.00 0.00 C ATOM 1173 O GLU A 81 -2.268 -1.195 -8.284 1.00 0.00 O ATOM 1174 CB GLU A 81 -4.476 -0.161 -10.554 1.00 0.00 C ATOM 1175 CG GLU A 81 -5.048 -0.042 -11.957 1.00 0.00 C ATOM 1176 CD GLU A 81 -4.236 0.884 -12.841 1.00 0.00 C ATOM 1177 OE1 GLU A 81 -3.028 1.050 -12.576 1.00 0.00 O ATOM 1178 OE2 GLU A 81 -4.811 1.442 -13.800 1.00 0.00 O ATOM 0 H GLU A 81 -4.819 -2.579 -10.172 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.799 -1.200 -11.409 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.268 -0.473 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.140 0.822 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.089 -1.031 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.073 0.324 -11.898 1.00 0.00 H new ATOM 1185 N THR A 82 -1.524 0.338 -9.753 1.00 0.00 N ATOM 1186 CA THR A 82 -0.530 0.889 -8.841 1.00 0.00 C ATOM 1187 C THR A 82 -1.134 1.978 -7.961 1.00 0.00 C ATOM 1188 O THR A 82 -0.830 2.069 -6.773 1.00 0.00 O ATOM 1189 CB THR A 82 0.672 1.473 -9.607 1.00 0.00 C ATOM 1190 OG1 THR A 82 0.213 2.290 -10.690 1.00 0.00 O ATOM 1191 CG2 THR A 82 1.562 0.363 -10.145 1.00 0.00 C ATOM 0 H THR A 82 -1.551 0.787 -10.669 1.00 0.00 H new ATOM 0 HA THR A 82 -0.187 0.067 -8.213 1.00 0.00 H new ATOM 0 HB THR A 82 1.255 2.081 -8.915 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.983 2.659 -11.171 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.404 0.800 -10.682 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.934 -0.239 -9.316 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.987 -0.268 -10.823 1.00 0.00 H new ATOM 1199 N ASN A 83 -1.994 2.801 -8.553 1.00 0.00 N ATOM 1200 CA ASN A 83 -2.641 3.884 -7.822 1.00 0.00 C ATOM 1201 C ASN A 83 -4.140 3.633 -7.692 1.00 0.00 C ATOM 1202 O ASN A 83 -4.776 3.121 -8.614 1.00 0.00 O ATOM 1203 CB ASN A 83 -2.396 5.221 -8.525 1.00 0.00 C ATOM 1204 CG ASN A 83 -3.020 6.387 -7.784 1.00 0.00 C ATOM 1205 OD1 ASN A 83 -2.997 6.440 -6.554 1.00 0.00 O ATOM 1206 ND2 ASN A 83 -3.583 7.330 -8.531 1.00 0.00 N ATOM 0 H ASN A 83 -2.259 2.738 -9.536 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.208 3.922 -6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.323 5.387 -8.620 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.802 5.177 -9.535 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.019 8.139 -8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.579 7.245 -9.547 1.00 0.00 H new ATOM 1213 N ILE A 84 -4.698 3.995 -6.542 1.00 0.00 N ATOM 1214 CA ILE A 84 -6.122 3.811 -6.292 1.00 0.00 C ATOM 1215 C ILE A 84 -6.647 4.849 -5.306 1.00 0.00 C ATOM 1216 O ILE A 84 -5.873 5.502 -4.604 1.00 0.00 O ATOM 1217 CB ILE A 84 -6.419 2.402 -5.744 1.00 0.00 C ATOM 1218 CG1 ILE A 84 -5.854 2.251 -4.330 1.00 0.00 C ATOM 1219 CG2 ILE A 84 -5.841 1.341 -6.668 1.00 0.00 C ATOM 1220 CD1 ILE A 84 -6.828 2.651 -3.244 1.00 0.00 C ATOM 0 H ILE A 84 -4.185 4.418 -5.768 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.629 3.935 -7.249 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.500 2.266 -5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.556 1.214 -4.175 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.953 2.858 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.059 0.351 -6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.287 1.438 -7.658 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.762 1.472 -6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.360 2.518 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.107 3.697 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.719 2.027 -3.307 1.00 0.00 H new ATOM 1232 N THR A 85 -7.967 4.995 -5.255 1.00 0.00 N ATOM 1233 CA THR A 85 -8.596 5.953 -4.354 1.00 0.00 C ATOM 1234 C THR A 85 -9.342 5.243 -3.231 1.00 0.00 C ATOM 1235 O THR A 85 -10.265 4.466 -3.479 1.00 0.00 O ATOM 1236 CB THR A 85 -9.577 6.871 -5.107 1.00 0.00 C ATOM 1237 OG1 THR A 85 -8.888 7.582 -6.141 1.00 0.00 O ATOM 1238 CG2 THR A 85 -10.232 7.860 -4.155 1.00 0.00 C ATOM 0 H THR A 85 -8.622 4.462 -5.827 1.00 0.00 H new ATOM 0 HA THR A 85 -7.796 6.559 -3.928 1.00 0.00 H new ATOM 0 HB THR A 85 -10.354 6.248 -5.551 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.519 8.162 -6.616 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.920 8.498 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.781 7.316 -3.386 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.465 8.476 -3.686 1.00 0.00 H new ATOM 1246 N LEU A 86 -8.939 5.514 -1.995 1.00 0.00 N ATOM 1247 CA LEU A 86 -9.570 4.901 -0.831 1.00 0.00 C ATOM 1248 C LEU A 86 -10.959 5.486 -0.595 1.00 0.00 C ATOM 1249 O LEU A 86 -11.252 6.604 -1.016 1.00 0.00 O ATOM 1250 CB LEU A 86 -8.701 5.103 0.411 1.00 0.00 C ATOM 1251 CG LEU A 86 -7.344 4.399 0.402 1.00 0.00 C ATOM 1252 CD1 LEU A 86 -6.429 4.989 1.463 1.00 0.00 C ATOM 1253 CD2 LEU A 86 -7.518 2.902 0.617 1.00 0.00 C ATOM 0 H LEU A 86 -8.177 6.155 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.673 3.833 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.532 6.172 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.260 4.759 1.281 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.882 4.554 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.468 4.475 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.278 6.050 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.884 4.866 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.542 2.417 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.001 2.726 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.136 2.489 -0.181 1.00 0.00 H new ATOM 1265 N ASN A 87 -11.809 4.723 0.085 1.00 0.00 N ATOM 1266 CA ASN A 87 -13.167 5.167 0.380 1.00 0.00 C ATOM 1267 C ASN A 87 -13.663 4.565 1.691 1.00 0.00 C ATOM 1268 O ASN A 87 -13.064 3.630 2.223 1.00 0.00 O ATOM 1269 CB ASN A 87 -14.111 4.781 -0.761 1.00 0.00 C ATOM 1270 CG ASN A 87 -13.988 5.711 -1.952 1.00 0.00 C ATOM 1271 OD1 ASN A 87 -14.696 6.714 -2.047 1.00 0.00 O ATOM 1272 ND2 ASN A 87 -13.086 5.382 -2.870 1.00 0.00 N ATOM 0 H ASN A 87 -11.582 3.795 0.442 1.00 0.00 H new ATOM 0 HA ASN A 87 -13.154 6.252 0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -13.896 3.760 -1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -15.139 4.793 -0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.959 5.970 -3.694 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.520 4.542 -2.751 1.00 0.00 H new ATOM 1279 N ASP A 88 -14.761 5.107 2.206 1.00 0.00 N ATOM 1280 CA ASP A 88 -15.339 4.624 3.454 1.00 0.00 C ATOM 1281 C ASP A 88 -14.365 4.813 4.614 1.00 0.00 C ATOM 1282 O ASP A 88 -14.320 4.001 5.539 1.00 0.00 O ATOM 1283 CB ASP A 88 -15.719 3.148 3.327 1.00 0.00 C ATOM 1284 CG ASP A 88 -16.924 2.935 2.432 1.00 0.00 C ATOM 1285 OD1 ASP A 88 -17.756 3.861 2.327 1.00 0.00 O ATOM 1286 OD2 ASP A 88 -17.035 1.844 1.836 1.00 0.00 O ATOM 0 H ASP A 88 -15.269 5.881 1.778 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.237 5.207 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.871 2.591 2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.929 2.744 4.317 1.00 0.00 H new ATOM 1291 N LEU A 89 -13.587 5.888 4.557 1.00 0.00 N ATOM 1292 CA LEU A 89 -12.613 6.183 5.601 1.00 0.00 C ATOM 1293 C LEU A 89 -13.190 7.157 6.624 1.00 0.00 C ATOM 1294 O LEU A 89 -14.342 7.578 6.516 1.00 0.00 O ATOM 1295 CB LEU A 89 -11.339 6.767 4.988 1.00 0.00 C ATOM 1296 CG LEU A 89 -10.530 5.823 4.098 1.00 0.00 C ATOM 1297 CD1 LEU A 89 -9.328 6.544 3.508 1.00 0.00 C ATOM 1298 CD2 LEU A 89 -10.086 4.598 4.884 1.00 0.00 C ATOM 0 H LEU A 89 -13.612 6.570 3.799 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.370 5.250 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.611 7.644 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.695 7.112 5.797 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.168 5.493 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.764 5.856 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.668 7.389 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.688 6.905 4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.512 3.937 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.466 4.910 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.962 4.068 5.257 1.00 0.00 H new ATOM 1310 N LYS A 90 -12.382 7.512 7.617 1.00 0.00 N ATOM 1311 CA LYS A 90 -12.809 8.439 8.658 1.00 0.00 C ATOM 1312 C LYS A 90 -12.095 9.780 8.520 1.00 0.00 C ATOM 1313 O LYS A 90 -10.880 9.884 8.693 1.00 0.00 O ATOM 1314 CB LYS A 90 -12.537 7.844 10.042 1.00 0.00 C ATOM 1315 CG LYS A 90 -13.653 6.947 10.548 1.00 0.00 C ATOM 1316 CD LYS A 90 -13.351 6.413 11.939 1.00 0.00 C ATOM 1317 CE LYS A 90 -14.448 5.480 12.427 1.00 0.00 C ATOM 1318 NZ LYS A 90 -14.527 5.447 13.914 1.00 0.00 N ATOM 0 H LYS A 90 -11.426 7.171 7.723 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.880 8.605 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.610 7.272 10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.384 8.655 10.753 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.589 7.505 10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.792 6.114 9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.399 5.882 11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.244 7.246 12.634 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.406 5.802 12.019 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.263 4.474 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.287 4.800 14.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.621 5.116 14.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.729 6.402 14.272 1.00 0.00 H new ATOM 1332 N PRO A 91 -12.864 10.831 8.202 1.00 0.00 N ATOM 1333 CA PRO A 91 -12.326 12.185 8.036 1.00 0.00 C ATOM 1334 C PRO A 91 -11.870 12.793 9.358 1.00 0.00 C ATOM 1335 O PRO A 91 -12.343 12.407 10.426 1.00 0.00 O ATOM 1336 CB PRO A 91 -13.511 12.970 7.466 1.00 0.00 C ATOM 1337 CG PRO A 91 -14.716 12.230 7.935 1.00 0.00 C ATOM 1338 CD PRO A 91 -14.320 10.780 7.982 1.00 0.00 C ATOM 0 HA PRO A 91 -11.442 12.198 7.398 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.514 13.999 7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.471 13.012 6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.031 12.580 8.918 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.556 12.383 7.258 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -14.830 10.250 8.787 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.568 10.265 7.054 1.00 0.00 H new ATOM 1346 N ALA A 92 -10.949 13.748 9.277 1.00 0.00 N ATOM 1347 CA ALA A 92 -10.431 14.411 10.467 1.00 0.00 C ATOM 1348 C ALA A 92 -9.703 13.424 11.374 1.00 0.00 C ATOM 1349 O ALA A 92 -9.800 13.504 12.598 1.00 0.00 O ATOM 1350 CB ALA A 92 -11.560 15.093 11.225 1.00 0.00 C ATOM 0 H ALA A 92 -10.547 14.079 8.400 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.714 15.167 10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.158 15.584 12.111 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.034 15.835 10.582 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.298 14.349 11.525 1.00 0.00 H new ATOM 1356 N MET A 93 -8.975 12.494 10.764 1.00 0.00 N ATOM 1357 CA MET A 93 -8.230 11.492 11.517 1.00 0.00 C ATOM 1358 C MET A 93 -6.931 11.130 10.804 1.00 0.00 C ATOM 1359 O MET A 93 -6.784 11.367 9.605 1.00 0.00 O ATOM 1360 CB MET A 93 -9.082 10.237 11.718 1.00 0.00 C ATOM 1361 CG MET A 93 -8.795 9.510 13.021 1.00 0.00 C ATOM 1362 SD MET A 93 -9.066 7.731 12.899 1.00 0.00 S ATOM 1363 CE MET A 93 -10.806 7.625 13.311 1.00 0.00 C ATOM 0 H MET A 93 -8.885 12.414 9.751 1.00 0.00 H new ATOM 0 HA MET A 93 -7.983 11.915 12.491 1.00 0.00 H new ATOM 0 HB2 MET A 93 -10.136 10.515 11.691 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.911 9.555 10.885 1.00 0.00 H new ATOM 0 HG2 MET A 93 -7.763 9.697 13.317 1.00 0.00 H new ATOM 0 HG3 MET A 93 -9.431 9.917 13.807 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.100 6.578 13.383 1.00 0.00 H new ATOM 0 HE2 MET A 93 -10.984 8.118 14.266 1.00 0.00 H new ATOM 0 HE3 MET A 93 -11.394 8.114 12.535 1.00 0.00 H new ATOM 1373 N ASP A 94 -5.993 10.556 11.549 1.00 0.00 N ATOM 1374 CA ASP A 94 -4.706 10.161 10.988 1.00 0.00 C ATOM 1375 C ASP A 94 -4.413 8.693 11.281 1.00 0.00 C ATOM 1376 O ASP A 94 -4.481 8.253 12.429 1.00 0.00 O ATOM 1377 CB ASP A 94 -3.588 11.040 11.551 1.00 0.00 C ATOM 1378 CG ASP A 94 -3.339 10.786 13.025 1.00 0.00 C ATOM 1379 OD1 ASP A 94 -4.262 10.289 13.705 1.00 0.00 O ATOM 1380 OD2 ASP A 94 -2.223 11.084 13.499 1.00 0.00 O ATOM 0 H ASP A 94 -6.100 10.354 12.543 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.752 10.295 9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.670 10.856 10.993 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.846 12.089 11.404 1.00 0.00 H new ATOM 1385 N TYR A 95 -4.088 7.940 10.236 1.00 0.00 N ATOM 1386 CA TYR A 95 -3.788 6.521 10.380 1.00 0.00 C ATOM 1387 C TYR A 95 -2.751 6.076 9.354 1.00 0.00 C ATOM 1388 O TYR A 95 -2.536 6.744 8.342 1.00 0.00 O ATOM 1389 CB TYR A 95 -5.063 5.690 10.227 1.00 0.00 C ATOM 1390 CG TYR A 95 -6.072 6.300 9.280 1.00 0.00 C ATOM 1391 CD1 TYR A 95 -6.900 7.339 9.689 1.00 0.00 C ATOM 1392 CD2 TYR A 95 -6.198 5.838 7.975 1.00 0.00 C ATOM 1393 CE1 TYR A 95 -7.823 7.898 8.827 1.00 0.00 C ATOM 1394 CE2 TYR A 95 -7.118 6.392 7.106 1.00 0.00 C ATOM 1395 CZ TYR A 95 -7.928 7.421 7.537 1.00 0.00 C ATOM 1396 OH TYR A 95 -8.846 7.977 6.676 1.00 0.00 O ATOM 0 H TYR A 95 -4.026 8.289 9.280 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.377 6.363 11.377 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.798 4.695 9.870 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.525 5.565 11.206 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.820 7.716 10.698 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.565 5.032 7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.459 8.704 9.161 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.202 6.021 6.095 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.336 8.690 7.136 1.00 0.00 H new ATOM 1406 N HIS A 96 -2.111 4.942 9.622 1.00 0.00 N ATOM 1407 CA HIS A 96 -1.097 4.405 8.722 1.00 0.00 C ATOM 1408 C HIS A 96 -1.730 3.509 7.662 1.00 0.00 C ATOM 1409 O HIS A 96 -2.850 3.028 7.831 1.00 0.00 O ATOM 1410 CB HIS A 96 -0.049 3.620 9.511 1.00 0.00 C ATOM 1411 CG HIS A 96 0.545 4.390 10.650 1.00 0.00 C ATOM 1412 ND1 HIS A 96 -0.172 4.746 11.772 1.00 0.00 N ATOM 1413 CD2 HIS A 96 1.797 4.871 10.836 1.00 0.00 C ATOM 1414 CE1 HIS A 96 0.612 5.415 12.599 1.00 0.00 C ATOM 1415 NE2 HIS A 96 1.812 5.503 12.055 1.00 0.00 N ATOM 0 H HIS A 96 -2.277 4.377 10.455 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.611 5.242 8.221 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.505 2.709 9.898 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.749 3.314 8.835 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.628 4.775 10.153 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.321 5.821 13.557 1.00 0.00 H new ATOM 0 HE2 HIS A 96 2.619 5.966 12.473 1.00 0.00 H new ATOM 1424 N ALA A 97 -1.006 3.290 6.570 1.00 0.00 N ATOM 1425 CA ALA A 97 -1.497 2.451 5.483 1.00 0.00 C ATOM 1426 C ALA A 97 -0.352 1.707 4.804 1.00 0.00 C ATOM 1427 O ALA A 97 0.663 2.303 4.444 1.00 0.00 O ATOM 1428 CB ALA A 97 -2.258 3.292 4.469 1.00 0.00 C ATOM 0 H ALA A 97 -0.077 3.682 6.414 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.176 1.711 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.619 2.652 3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.105 3.773 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.596 4.054 4.058 1.00 0.00 H new ATOM 1434 N LYS A 98 -0.521 0.400 4.633 1.00 0.00 N ATOM 1435 CA LYS A 98 0.497 -0.427 3.996 1.00 0.00 C ATOM 1436 C LYS A 98 -0.047 -1.082 2.731 1.00 0.00 C ATOM 1437 O LYS A 98 -1.246 -1.028 2.458 1.00 0.00 O ATOM 1438 CB LYS A 98 0.992 -1.501 4.968 1.00 0.00 C ATOM 1439 CG LYS A 98 1.585 -0.937 6.247 1.00 0.00 C ATOM 1440 CD LYS A 98 1.922 -2.039 7.238 1.00 0.00 C ATOM 1441 CE LYS A 98 2.081 -1.490 8.648 1.00 0.00 C ATOM 1442 NZ LYS A 98 2.658 -2.503 9.575 1.00 0.00 N ATOM 0 H LYS A 98 -1.354 -0.110 4.927 1.00 0.00 H new ATOM 0 HA LYS A 98 1.332 0.217 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.162 -2.160 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.743 -2.113 4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.485 -0.369 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.879 -0.242 6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.135 -2.793 7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.844 -2.535 6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.724 -0.610 8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.110 -1.165 9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.751 -2.091 10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.032 -3.332 9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.595 -2.794 9.231 1.00 0.00 H new ATOM 1456 N VAL A 99 0.842 -1.703 1.962 1.00 0.00 N ATOM 1457 CA VAL A 99 0.451 -2.371 0.727 1.00 0.00 C ATOM 1458 C VAL A 99 1.146 -3.721 0.588 1.00 0.00 C ATOM 1459 O VAL A 99 2.374 -3.797 0.557 1.00 0.00 O ATOM 1460 CB VAL A 99 0.778 -1.509 -0.506 1.00 0.00 C ATOM 1461 CG1 VAL A 99 2.250 -1.631 -0.869 1.00 0.00 C ATOM 1462 CG2 VAL A 99 -0.104 -1.904 -1.681 1.00 0.00 C ATOM 0 H VAL A 99 1.838 -1.757 2.173 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.627 -2.524 0.778 1.00 0.00 H new ATOM 0 HB VAL A 99 0.574 -0.466 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.462 -1.015 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.860 -1.294 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.484 -2.672 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.141 -1.285 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.066 -2.952 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.151 -1.758 -1.415 1.00 0.00 H new ATOM 1472 N GLN A 100 0.352 -4.784 0.505 1.00 0.00 N ATOM 1473 CA GLN A 100 0.893 -6.131 0.370 1.00 0.00 C ATOM 1474 C GLN A 100 0.746 -6.635 -1.062 1.00 0.00 C ATOM 1475 O GLN A 100 -0.302 -6.469 -1.685 1.00 0.00 O ATOM 1476 CB GLN A 100 0.186 -7.086 1.333 1.00 0.00 C ATOM 1477 CG GLN A 100 0.904 -8.414 1.510 1.00 0.00 C ATOM 1478 CD GLN A 100 0.167 -9.357 2.441 1.00 0.00 C ATOM 1479 OE1 GLN A 100 -1.028 -9.194 2.691 1.00 0.00 O ATOM 1480 NE2 GLN A 100 0.877 -10.351 2.962 1.00 0.00 N ATOM 0 H GLN A 100 -0.667 -4.738 0.529 1.00 0.00 H new ATOM 0 HA GLN A 100 1.954 -6.096 0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.089 -6.603 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.824 -7.274 0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.024 -8.890 0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.905 -8.232 1.901 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.865 -10.449 2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.434 -11.016 3.596 1.00 0.00 H new ATOM 1489 N ALA A 101 1.805 -7.250 -1.579 1.00 0.00 N ATOM 1490 CA ALA A 101 1.794 -7.780 -2.937 1.00 0.00 C ATOM 1491 C ALA A 101 1.551 -9.285 -2.938 1.00 0.00 C ATOM 1492 O ALA A 101 2.211 -10.029 -2.213 1.00 0.00 O ATOM 1493 CB ALA A 101 3.103 -7.454 -3.641 1.00 0.00 C ATOM 0 H ALA A 101 2.682 -7.393 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 101 0.975 -7.307 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.081 -7.856 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.235 -6.373 -3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.932 -7.900 -3.092 1.00 0.00 H new ATOM 1499 N GLU A 102 0.599 -9.726 -3.754 1.00 0.00 N ATOM 1500 CA GLU A 102 0.268 -11.143 -3.846 1.00 0.00 C ATOM 1501 C GLU A 102 0.213 -11.595 -5.303 1.00 0.00 C ATOM 1502 O GLU A 102 -0.512 -11.020 -6.116 1.00 0.00 O ATOM 1503 CB GLU A 102 -1.072 -11.423 -3.163 1.00 0.00 C ATOM 1504 CG GLU A 102 -1.779 -12.659 -3.693 1.00 0.00 C ATOM 1505 CD GLU A 102 -2.625 -12.367 -4.917 1.00 0.00 C ATOM 1506 OE1 GLU A 102 -3.717 -11.781 -4.759 1.00 0.00 O ATOM 1507 OE2 GLU A 102 -2.195 -12.724 -6.034 1.00 0.00 O ATOM 0 H GLU A 102 0.044 -9.123 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 102 1.051 -11.706 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.907 -11.541 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.724 -10.559 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.038 -13.419 -3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.412 -13.075 -2.909 1.00 0.00 H new ATOM 1514 N TYR A 103 0.984 -12.627 -5.625 1.00 0.00 N ATOM 1515 CA TYR A 103 1.026 -13.155 -6.984 1.00 0.00 C ATOM 1516 C TYR A 103 1.357 -14.645 -6.980 1.00 0.00 C ATOM 1517 O TYR A 103 2.301 -15.080 -6.322 1.00 0.00 O ATOM 1518 CB TYR A 103 2.058 -12.395 -7.817 1.00 0.00 C ATOM 1519 CG TYR A 103 1.792 -12.445 -9.305 1.00 0.00 C ATOM 1520 CD1 TYR A 103 1.704 -13.659 -9.974 1.00 0.00 C ATOM 1521 CD2 TYR A 103 1.627 -11.278 -10.041 1.00 0.00 C ATOM 1522 CE1 TYR A 103 1.461 -13.710 -11.333 1.00 0.00 C ATOM 1523 CE2 TYR A 103 1.382 -11.319 -11.400 1.00 0.00 C ATOM 1524 CZ TYR A 103 1.301 -12.537 -12.042 1.00 0.00 C ATOM 1525 OH TYR A 103 1.057 -12.583 -13.395 1.00 0.00 O ATOM 0 H TYR A 103 1.589 -13.115 -4.964 1.00 0.00 H new ATOM 0 HA TYR A 103 0.040 -13.021 -7.429 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.077 -11.354 -7.495 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.047 -12.808 -7.619 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.828 -14.579 -9.422 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.691 -10.322 -9.542 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.397 -14.663 -11.838 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.255 -10.402 -11.957 1.00 0.00 H new ATOM 0 HH TYR A 103 0.968 -11.671 -13.743 1.00 0.00 H new ATOM 1535 N ASN A 104 0.571 -15.421 -7.720 1.00 0.00 N ATOM 1536 CA ASN A 104 0.780 -16.862 -7.803 1.00 0.00 C ATOM 1537 C ASN A 104 0.494 -17.530 -6.461 1.00 0.00 C ATOM 1538 O ASN A 104 1.143 -18.510 -6.094 1.00 0.00 O ATOM 1539 CB ASN A 104 2.213 -17.166 -8.242 1.00 0.00 C ATOM 1540 CG ASN A 104 2.323 -18.484 -8.985 1.00 0.00 C ATOM 1541 OD1 ASN A 104 1.968 -19.538 -8.456 1.00 0.00 O ATOM 1542 ND2 ASN A 104 2.815 -18.430 -10.216 1.00 0.00 N ATOM 0 H ASN A 104 -0.216 -15.076 -8.270 1.00 0.00 H new ATOM 0 HA ASN A 104 0.088 -17.263 -8.544 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.573 -16.360 -8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.861 -17.191 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.912 -19.285 -10.764 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.096 -17.534 -10.614 1.00 0.00 H new ATOM 1549 N SER A 105 -0.481 -16.994 -5.735 1.00 0.00 N ATOM 1550 CA SER A 105 -0.851 -17.537 -4.433 1.00 0.00 C ATOM 1551 C SER A 105 0.309 -17.427 -3.449 1.00 0.00 C ATOM 1552 O SER A 105 0.487 -18.285 -2.584 1.00 0.00 O ATOM 1553 CB SER A 105 -1.282 -18.999 -4.570 1.00 0.00 C ATOM 1554 OG SER A 105 -2.668 -19.098 -4.850 1.00 0.00 O ATOM 0 H SER A 105 -1.029 -16.184 -6.026 1.00 0.00 H new ATOM 0 HA SER A 105 -1.688 -16.954 -4.048 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.712 -19.476 -5.367 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.054 -19.536 -3.649 1.00 0.00 H new ATOM 0 HG SER A 105 -2.918 -20.042 -4.935 1.00 0.00 H new ATOM 1560 N ILE A 106 1.096 -16.365 -3.588 1.00 0.00 N ATOM 1561 CA ILE A 106 2.239 -16.142 -2.712 1.00 0.00 C ATOM 1562 C ILE A 106 2.116 -14.811 -1.977 1.00 0.00 C ATOM 1563 O ILE A 106 2.371 -13.749 -2.545 1.00 0.00 O ATOM 1564 CB ILE A 106 3.563 -16.161 -3.497 1.00 0.00 C ATOM 1565 CG1 ILE A 106 3.686 -17.458 -4.300 1.00 0.00 C ATOM 1566 CG2 ILE A 106 4.744 -16.005 -2.550 1.00 0.00 C ATOM 1567 CD1 ILE A 106 4.766 -17.413 -5.359 1.00 0.00 C ATOM 0 H ILE A 106 0.963 -15.646 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 106 2.245 -16.956 -1.987 1.00 0.00 H new ATOM 0 HB ILE A 106 3.567 -15.322 -4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.893 -18.281 -3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.730 -17.673 -4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.673 -16.020 -3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.661 -15.057 -2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.746 -16.825 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.796 -18.365 -5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.550 -16.612 -6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.731 -17.230 -4.887 1.00 0.00 H new ATOM 1579 N LYS A 107 1.726 -14.876 -0.708 1.00 0.00 N ATOM 1580 CA LYS A 107 1.572 -13.678 0.107 1.00 0.00 C ATOM 1581 C LYS A 107 2.887 -13.309 0.787 1.00 0.00 C ATOM 1582 O LYS A 107 3.455 -14.105 1.534 1.00 0.00 O ATOM 1583 CB LYS A 107 0.483 -13.889 1.161 1.00 0.00 C ATOM 1584 CG LYS A 107 -0.925 -13.676 0.633 1.00 0.00 C ATOM 1585 CD LYS A 107 -1.312 -12.207 0.656 1.00 0.00 C ATOM 1586 CE LYS A 107 -2.803 -12.020 0.419 1.00 0.00 C ATOM 1587 NZ LYS A 107 -3.152 -10.591 0.184 1.00 0.00 N ATOM 0 H LYS A 107 1.511 -15.747 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 107 1.280 -12.858 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.564 -14.901 1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.657 -13.206 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.994 -14.055 -0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.631 -14.249 1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.038 -11.772 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.751 -11.670 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.112 -12.615 -0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.357 -12.392 1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.176 -10.505 0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.881 -10.026 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.643 -10.242 -0.653 1.00 0.00 H new ATOM 1601 N GLY A 108 3.366 -12.097 0.523 1.00 0.00 N ATOM 1602 CA GLY A 108 4.609 -11.645 1.118 1.00 0.00 C ATOM 1603 C GLY A 108 4.386 -10.801 2.357 1.00 0.00 C ATOM 1604 O GLY A 108 3.615 -11.174 3.242 1.00 0.00 O ATOM 0 H GLY A 108 2.915 -11.420 -0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.220 -12.510 1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.170 -11.066 0.384 1.00 0.00 H new ATOM 1608 N THR A 109 5.063 -9.659 2.424 1.00 0.00 N ATOM 1609 CA THR A 109 4.938 -8.761 3.565 1.00 0.00 C ATOM 1610 C THR A 109 4.564 -7.352 3.118 1.00 0.00 C ATOM 1611 O THR A 109 5.072 -6.836 2.122 1.00 0.00 O ATOM 1612 CB THR A 109 6.244 -8.700 4.378 1.00 0.00 C ATOM 1613 OG1 THR A 109 6.551 -9.994 4.910 1.00 0.00 O ATOM 1614 CG2 THR A 109 6.128 -7.694 5.514 1.00 0.00 C ATOM 0 H THR A 109 5.704 -9.334 1.700 1.00 0.00 H new ATOM 0 HA THR A 109 4.145 -9.161 4.196 1.00 0.00 H new ATOM 0 HB THR A 109 7.046 -8.382 3.712 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.384 -9.947 5.424 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.063 -7.668 6.074 1.00 0.00 H new ATOM 0 HG22 THR A 109 5.923 -6.705 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.315 -7.987 6.178 1.00 0.00 H new ATOM 1622 N PRO A 110 3.656 -6.713 3.869 1.00 0.00 N ATOM 1623 CA PRO A 110 3.196 -5.354 3.570 1.00 0.00 C ATOM 1624 C PRO A 110 4.278 -4.308 3.814 1.00 0.00 C ATOM 1625 O PRO A 110 4.913 -4.293 4.868 1.00 0.00 O ATOM 1626 CB PRO A 110 2.029 -5.153 4.540 1.00 0.00 C ATOM 1627 CG PRO A 110 2.314 -6.077 5.672 1.00 0.00 C ATOM 1628 CD PRO A 110 3.009 -7.267 5.070 1.00 0.00 C ATOM 0 HA PRO A 110 2.922 -5.239 2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.969 -4.119 4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.076 -5.389 4.067 1.00 0.00 H new ATOM 0 HG2 PRO A 110 2.943 -5.595 6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 110 1.393 -6.375 6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 110 3.738 -7.697 5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 110 2.304 -8.059 4.817 1.00 0.00 H new ATOM 1636 N SER A 111 4.483 -3.435 2.833 1.00 0.00 N ATOM 1637 CA SER A 111 5.492 -2.387 2.941 1.00 0.00 C ATOM 1638 C SER A 111 5.331 -1.610 4.244 1.00 0.00 C ATOM 1639 O SER A 111 4.488 -1.942 5.076 1.00 0.00 O ATOM 1640 CB SER A 111 5.395 -1.433 1.749 1.00 0.00 C ATOM 1641 OG SER A 111 4.128 -0.800 1.704 1.00 0.00 O ATOM 0 H SER A 111 3.964 -3.432 1.955 1.00 0.00 H new ATOM 0 HA SER A 111 6.474 -2.860 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.179 -0.679 1.818 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.563 -1.984 0.824 1.00 0.00 H new ATOM 0 HG SER A 111 4.077 -0.120 2.408 1.00 0.00 H new ATOM 1647 N GLU A 112 6.147 -0.574 4.412 1.00 0.00 N ATOM 1648 CA GLU A 112 6.096 0.250 5.614 1.00 0.00 C ATOM 1649 C GLU A 112 4.731 0.918 5.758 1.00 0.00 C ATOM 1650 O GLU A 112 3.895 0.845 4.859 1.00 0.00 O ATOM 1651 CB GLU A 112 7.195 1.314 5.577 1.00 0.00 C ATOM 1652 CG GLU A 112 8.583 0.765 5.863 1.00 0.00 C ATOM 1653 CD GLU A 112 9.679 1.774 5.579 1.00 0.00 C ATOM 1654 OE1 GLU A 112 9.394 2.989 5.630 1.00 0.00 O ATOM 1655 OE2 GLU A 112 10.821 1.349 5.306 1.00 0.00 O ATOM 0 H GLU A 112 6.850 -0.286 3.732 1.00 0.00 H new ATOM 0 HA GLU A 112 6.257 -0.398 6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.196 1.789 4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.963 2.090 6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.640 0.457 6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.749 -0.126 5.258 1.00 0.00 H new ATOM 1662 N ALA A 113 4.515 1.568 6.897 1.00 0.00 N ATOM 1663 CA ALA A 113 3.254 2.251 7.159 1.00 0.00 C ATOM 1664 C ALA A 113 3.329 3.719 6.754 1.00 0.00 C ATOM 1665 O ALA A 113 4.232 4.442 7.174 1.00 0.00 O ATOM 1666 CB ALA A 113 2.882 2.125 8.629 1.00 0.00 C ATOM 0 H ALA A 113 5.197 1.636 7.653 1.00 0.00 H new ATOM 0 HA ALA A 113 2.480 1.775 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.938 2.639 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.777 1.072 8.889 1.00 0.00 H new ATOM 0 HB3 ALA A 113 3.664 2.574 9.242 1.00 0.00 H new ATOM 1672 N GLU A 114 2.375 4.152 5.936 1.00 0.00 N ATOM 1673 CA GLU A 114 2.336 5.534 5.473 1.00 0.00 C ATOM 1674 C GLU A 114 1.161 6.283 6.096 1.00 0.00 C ATOM 1675 O GLU A 114 0.017 6.131 5.665 1.00 0.00 O ATOM 1676 CB GLU A 114 2.235 5.583 3.947 1.00 0.00 C ATOM 1677 CG GLU A 114 2.092 6.989 3.391 1.00 0.00 C ATOM 1678 CD GLU A 114 3.411 7.736 3.346 1.00 0.00 C ATOM 1679 OE1 GLU A 114 4.190 7.507 2.397 1.00 0.00 O ATOM 1680 OE2 GLU A 114 3.665 8.549 4.259 1.00 0.00 O ATOM 0 H GLU A 114 1.619 3.566 5.581 1.00 0.00 H new ATOM 0 HA GLU A 114 3.261 6.020 5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.124 5.120 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.380 4.987 3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.674 6.937 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.383 7.547 4.003 1.00 0.00 H new ATOM 1687 N ILE A 115 1.452 7.090 7.110 1.00 0.00 N ATOM 1688 CA ILE A 115 0.420 7.862 7.791 1.00 0.00 C ATOM 1689 C ILE A 115 -0.038 9.041 6.938 1.00 0.00 C ATOM 1690 O ILE A 115 0.754 9.636 6.207 1.00 0.00 O ATOM 1691 CB ILE A 115 0.916 8.389 9.151 1.00 0.00 C ATOM 1692 CG1 ILE A 115 -0.235 9.038 9.922 1.00 0.00 C ATOM 1693 CG2 ILE A 115 2.052 9.381 8.951 1.00 0.00 C ATOM 1694 CD1 ILE A 115 0.020 9.146 11.409 1.00 0.00 C ATOM 0 H ILE A 115 2.393 7.226 7.478 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.420 7.188 7.956 1.00 0.00 H new ATOM 0 HB ILE A 115 1.291 7.549 9.735 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.415 10.035 9.519 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.144 8.459 9.758 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.392 9.745 9.921 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.878 8.889 8.438 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.701 10.221 8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.837 9.615 11.892 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.171 8.150 11.826 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.910 9.750 11.583 1.00 0.00 H new ATOM 1706 N PHE A 116 -1.320 9.374 7.039 1.00 0.00 N ATOM 1707 CA PHE A 116 -1.884 10.482 6.277 1.00 0.00 C ATOM 1708 C PHE A 116 -3.146 11.017 6.948 1.00 0.00 C ATOM 1709 O PHE A 116 -4.149 10.312 7.064 1.00 0.00 O ATOM 1710 CB PHE A 116 -2.202 10.037 4.848 1.00 0.00 C ATOM 1711 CG PHE A 116 -3.226 8.941 4.776 1.00 0.00 C ATOM 1712 CD1 PHE A 116 -4.580 9.237 4.779 1.00 0.00 C ATOM 1713 CD2 PHE A 116 -2.835 7.613 4.704 1.00 0.00 C ATOM 1714 CE1 PHE A 116 -5.523 8.229 4.714 1.00 0.00 C ATOM 1715 CE2 PHE A 116 -3.774 6.601 4.638 1.00 0.00 C ATOM 1716 CZ PHE A 116 -5.120 6.910 4.642 1.00 0.00 C ATOM 0 H PHE A 116 -1.988 8.893 7.641 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.144 11.282 6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.560 10.896 4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.284 9.698 4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.902 10.267 4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.784 7.366 4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.575 8.473 4.720 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.456 5.570 4.583 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.856 6.122 4.589 1.00 0.00 H new ATOM 1726 N THR A 117 -3.088 12.270 7.390 1.00 0.00 N ATOM 1727 CA THR A 117 -4.224 12.900 8.052 1.00 0.00 C ATOM 1728 C THR A 117 -5.238 13.411 7.035 1.00 0.00 C ATOM 1729 O THR A 117 -4.930 14.282 6.219 1.00 0.00 O ATOM 1730 CB THR A 117 -3.775 14.071 8.946 1.00 0.00 C ATOM 1731 OG1 THR A 117 -2.751 13.635 9.847 1.00 0.00 O ATOM 1732 CG2 THR A 117 -4.948 14.630 9.735 1.00 0.00 C ATOM 0 H THR A 117 -2.267 12.868 7.301 1.00 0.00 H new ATOM 0 HA THR A 117 -4.691 12.136 8.674 1.00 0.00 H new ATOM 0 HB THR A 117 -3.381 14.859 8.304 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.470 14.386 10.411 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.606 15.456 10.359 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.713 14.988 9.046 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.367 13.847 10.367 1.00 0.00 H new ATOM 1740 N THR A 118 -6.449 12.866 7.088 1.00 0.00 N ATOM 1741 CA THR A 118 -7.509 13.267 6.171 1.00 0.00 C ATOM 1742 C THR A 118 -8.260 14.484 6.698 1.00 0.00 C ATOM 1743 O THR A 118 -8.421 14.652 7.908 1.00 0.00 O ATOM 1744 CB THR A 118 -8.511 12.122 5.935 1.00 0.00 C ATOM 1745 OG1 THR A 118 -9.069 11.694 7.182 1.00 0.00 O ATOM 1746 CG2 THR A 118 -7.836 10.946 5.245 1.00 0.00 C ATOM 0 H THR A 118 -6.720 12.145 7.757 1.00 0.00 H new ATOM 0 HA THR A 118 -7.030 13.520 5.225 1.00 0.00 H new ATOM 0 HB THR A 118 -9.307 12.493 5.290 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.283 10.739 7.134 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.563 10.149 5.089 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.438 11.268 4.283 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.022 10.577 5.869 1.00 0.00 H new ATOM 1754 N LEU A 119 -8.720 15.331 5.784 1.00 0.00 N ATOM 1755 CA LEU A 119 -9.457 16.534 6.157 1.00 0.00 C ATOM 1756 C LEU A 119 -10.846 16.182 6.678 1.00 0.00 C ATOM 1757 O LEU A 119 -11.345 15.079 6.450 1.00 0.00 O ATOM 1758 CB LEU A 119 -9.574 17.477 4.958 1.00 0.00 C ATOM 1759 CG LEU A 119 -9.612 16.811 3.582 1.00 0.00 C ATOM 1760 CD1 LEU A 119 -10.400 17.662 2.598 1.00 0.00 C ATOM 1761 CD2 LEU A 119 -8.200 16.568 3.067 1.00 0.00 C ATOM 0 H LEU A 119 -8.596 15.207 4.779 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.906 17.035 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -10.479 18.073 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.732 18.169 4.982 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.113 15.848 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.416 17.172 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.421 17.785 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.928 18.640 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.247 16.093 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.674 17.519 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.667 15.917 3.760 1.00 0.00 H new ATOM 1773 N SER A 120 -11.467 17.126 7.377 1.00 0.00 N ATOM 1774 CA SER A 120 -12.799 16.915 7.933 1.00 0.00 C ATOM 1775 C SER A 120 -13.876 17.284 6.917 1.00 0.00 C ATOM 1776 O SER A 120 -13.647 18.098 6.021 1.00 0.00 O ATOM 1777 CB SER A 120 -12.980 17.741 9.208 1.00 0.00 C ATOM 1778 OG SER A 120 -14.096 17.290 9.954 1.00 0.00 O ATOM 0 H SER A 120 -11.069 18.045 7.572 1.00 0.00 H new ATOM 0 HA SER A 120 -12.901 15.857 8.177 1.00 0.00 H new ATOM 0 HB2 SER A 120 -12.080 17.675 9.819 1.00 0.00 H new ATOM 0 HB3 SER A 120 -13.113 18.791 8.949 1.00 0.00 H new ATOM 0 HG SER A 120 -14.189 17.833 10.765 1.00 0.00 H new ATOM 1784 N CYS A 121 -15.050 16.679 7.063 1.00 0.00 N ATOM 1785 CA CYS A 121 -16.163 16.943 6.158 1.00 0.00 C ATOM 1786 C CYS A 121 -16.263 18.430 5.837 1.00 0.00 C ATOM 1787 O CYS A 121 -16.783 18.815 4.791 1.00 0.00 O ATOM 1788 CB CYS A 121 -17.475 16.453 6.774 1.00 0.00 C ATOM 1789 SG CYS A 121 -18.930 16.748 5.743 1.00 0.00 S ATOM 0 H CYS A 121 -15.255 16.003 7.799 1.00 0.00 H new ATOM 0 HA CYS A 121 -15.980 16.401 5.230 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -17.394 15.384 6.972 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -17.619 16.945 7.736 1.00 0.00 H new ATOM 0 HG CYS A 121 -18.691 17.732 4.927 1.00 0.00 H new