USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 817 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 118 GLN :FLIP amide:sc= 0.394 F(o=0.41,f=1.1) USER MOD Set 1.2: A 120 THR OG1 : rot 180:sc= 0.756 USER MOD Set 2.1: A 23 CYS SG : rot 159:sc= -0.0304 USER MOD Set 2.2: A 97 CYS SG : rot 35:sc= 0.595 USER MOD Set 3.1: A 72 SER OG : rot -170:sc= 0.249 USER MOD Set 3.2: A 83 GLN : amide:sc= -0.0394 K(o=0.21,f=-4.2!) USER MOD Set 4.1: A 53 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.1!) USER MOD Set 4.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 33 TYR OH : rot 180:sc= 0.012 USER MOD Set 5.2: A 112 TYR OH : rot 5:sc= -0.706 USER MOD Set 6.1: A 31 SER OG : rot 180:sc= -0.0417 USER MOD Set 6.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.458 K(o=-0.46,f=-4.4!) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0166 F(o=-0.89,f=-0.017) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 31:sc= 0.504 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 48:sc= 0.766 USER MOD Single : A 35 MET CE :methyl 134:sc= -1.07 (180deg=-2.63!) USER MOD Single : A 40 GLN : amide:sc= -1.09 X(o=-1.1,f=-1) USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= 0.53 (180deg=0.28) USER MOD Single : A 55 SER OG : rot 68:sc= 0.634 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 90:sc= -1.08 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN :FLIP amide:sc=-0.00384 F(o=-1.6!,f=-0.0038) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 174:sc= 0 (180deg=-0.0359) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= 0.166 (180deg=0.0317) USER MOD Single : A 92 THR OG1 : rot 96:sc= 0.25 USER MOD Single : A 95 TYR OH : rot 166:sc= 0.593 USER MOD Single : A 96 ASN : amide:sc= -0.0672 K(o=-0.067,f=-1.5!) USER MOD Single : A 115 GLN : amide:sc= -0.091 X(o=-0.091,f=-0.19) USER MOD Single : A 117 THR OG1 : rot 160:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 44:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 2.461 -2.276 -7.843 1.00 0.00 N ATOM 38 CA LEU A 3 3.504 -2.932 -8.637 1.00 0.00 C ATOM 39 C LEU A 3 3.570 -2.207 -9.984 1.00 0.00 C ATOM 40 O LEU A 3 2.599 -2.241 -10.756 1.00 0.00 O ATOM 41 CB LEU A 3 3.167 -4.434 -8.824 1.00 0.00 C ATOM 42 CG LEU A 3 4.138 -5.294 -9.686 1.00 0.00 C ATOM 43 CD1 LEU A 3 5.561 -5.328 -9.099 1.00 0.00 C ATOM 44 CD2 LEU A 3 3.577 -6.723 -9.881 1.00 0.00 C ATOM 0 HA LEU A 3 4.471 -2.880 -8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.105 -4.889 -7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.174 -4.502 -9.269 1.00 0.00 H new ATOM 0 HG LEU A 3 4.213 -4.818 -10.664 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.202 -5.939 -9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.959 -4.314 -9.051 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.531 -5.754 -8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.271 -7.307 -10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.452 -7.201 -8.909 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.612 -6.669 -10.385 1.00 0.00 H new ATOM 56 N GLN A 4 4.689 -1.515 -10.234 1.00 0.00 N ATOM 57 CA GLN A 4 4.907 -0.780 -11.478 1.00 0.00 C ATOM 58 C GLN A 4 5.155 -1.778 -12.618 1.00 0.00 C ATOM 59 O GLN A 4 6.229 -2.367 -12.715 1.00 0.00 O ATOM 60 CB GLN A 4 6.104 0.205 -11.310 1.00 0.00 C ATOM 61 CG GLN A 4 6.485 1.035 -12.561 1.00 0.00 C ATOM 62 CD GLN A 4 5.417 2.038 -13.043 1.00 0.00 C ATOM 63 OE1 GLN A 4 4.208 1.834 -12.901 1.00 0.00 O ATOM 64 NE2 GLN A 4 5.862 3.140 -13.632 1.00 0.00 N ATOM 0 H GLN A 4 5.466 -1.451 -9.577 1.00 0.00 H new ATOM 0 HA GLN A 4 4.024 -0.190 -11.723 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.869 0.895 -10.499 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.978 -0.367 -10.999 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.402 1.583 -12.346 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.708 0.348 -13.377 1.00 0.00 H new ATOM 0 HE21 GLN A 4 6.865 3.291 -13.740 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.201 3.836 -13.977 1.00 0.00 H new ATOM 73 N LEU A 5 4.117 -1.988 -13.444 1.00 0.00 N ATOM 74 CA LEU A 5 4.173 -2.865 -14.622 1.00 0.00 C ATOM 75 C LEU A 5 4.041 -1.987 -15.869 1.00 0.00 C ATOM 76 O LEU A 5 2.939 -1.555 -16.206 1.00 0.00 O ATOM 77 CB LEU A 5 3.012 -3.905 -14.556 1.00 0.00 C ATOM 78 CG LEU A 5 3.081 -4.920 -13.377 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.783 -5.746 -13.254 1.00 0.00 C ATOM 80 CD2 LEU A 5 4.310 -5.840 -13.513 1.00 0.00 C ATOM 0 H LEU A 5 3.206 -1.548 -13.310 1.00 0.00 H new ATOM 0 HA LEU A 5 5.116 -3.412 -14.654 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.068 -3.364 -14.491 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.996 -4.464 -15.492 1.00 0.00 H new ATOM 0 HG LEU A 5 3.186 -4.343 -12.458 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.872 -6.442 -12.420 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.941 -5.076 -13.079 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.618 -6.304 -14.176 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.335 -6.539 -12.677 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.247 -6.395 -14.449 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.218 -5.237 -13.509 1.00 0.00 H new ATOM 92 N VAL A 6 5.170 -1.750 -16.558 1.00 0.00 N ATOM 93 CA VAL A 6 5.226 -0.848 -17.719 1.00 0.00 C ATOM 94 C VAL A 6 5.185 -1.705 -18.982 1.00 0.00 C ATOM 95 O VAL A 6 6.199 -2.251 -19.410 1.00 0.00 O ATOM 96 CB VAL A 6 6.544 0.023 -17.706 1.00 0.00 C ATOM 97 CG1 VAL A 6 6.607 0.989 -18.923 1.00 0.00 C ATOM 98 CG2 VAL A 6 6.684 0.788 -16.374 1.00 0.00 C ATOM 0 H VAL A 6 6.067 -2.177 -16.326 1.00 0.00 H new ATOM 0 HA VAL A 6 4.379 -0.162 -17.686 1.00 0.00 H new ATOM 0 HB VAL A 6 7.390 -0.658 -17.794 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.528 1.571 -18.879 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.587 0.412 -19.847 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.751 1.663 -18.897 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.599 1.380 -16.389 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.827 1.448 -16.242 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.726 0.077 -15.549 1.00 0.00 H new ATOM 108 N GLU A 7 4.001 -1.797 -19.575 1.00 0.00 N ATOM 109 CA GLU A 7 3.768 -2.628 -20.762 1.00 0.00 C ATOM 110 C GLU A 7 4.123 -1.843 -22.027 1.00 0.00 C ATOM 111 O GLU A 7 3.880 -0.629 -22.106 1.00 0.00 O ATOM 112 CB GLU A 7 2.303 -3.108 -20.772 1.00 0.00 C ATOM 113 CG GLU A 7 1.960 -4.052 -19.606 1.00 0.00 C ATOM 114 CD GLU A 7 0.484 -4.457 -19.564 1.00 0.00 C ATOM 115 OE1 GLU A 7 -0.008 -5.033 -20.552 1.00 0.00 O ATOM 116 OE2 GLU A 7 -0.185 -4.212 -18.537 1.00 0.00 O ATOM 0 H GLU A 7 3.172 -1.300 -19.251 1.00 0.00 H new ATOM 0 HA GLU A 7 4.410 -3.509 -20.734 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.644 -2.241 -20.733 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.102 -3.619 -21.714 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.573 -4.950 -19.683 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.223 -3.566 -18.666 1.00 0.00 H new ATOM 123 N SER A 8 4.703 -2.546 -23.010 1.00 0.00 N ATOM 124 CA SER A 8 5.219 -1.939 -24.233 1.00 0.00 C ATOM 125 C SER A 8 5.317 -2.995 -25.349 1.00 0.00 C ATOM 126 O SER A 8 5.123 -4.200 -25.113 1.00 0.00 O ATOM 127 CB SER A 8 6.597 -1.283 -23.953 1.00 0.00 C ATOM 128 OG SER A 8 7.067 -0.548 -25.071 1.00 0.00 O ATOM 0 H SER A 8 4.825 -3.558 -22.973 1.00 0.00 H new ATOM 0 HA SER A 8 4.534 -1.161 -24.569 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.516 -0.621 -23.091 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.322 -2.055 -23.695 1.00 0.00 H new ATOM 0 HG SER A 8 7.936 -0.148 -24.858 1.00 0.00 H new ATOM 134 N GLY A 9 5.626 -2.519 -26.565 1.00 0.00 N ATOM 135 CA GLY A 9 5.633 -3.352 -27.767 1.00 0.00 C ATOM 136 C GLY A 9 4.270 -3.376 -28.456 1.00 0.00 C ATOM 137 O GLY A 9 4.061 -4.144 -29.406 1.00 0.00 O ATOM 0 H GLY A 9 5.877 -1.546 -26.738 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.384 -2.978 -28.463 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.923 -4.369 -27.502 1.00 0.00 H new ATOM 141 N GLY A 10 3.335 -2.542 -27.958 1.00 0.00 N ATOM 142 CA GLY A 10 1.993 -2.437 -28.524 1.00 0.00 C ATOM 143 C GLY A 10 1.979 -1.547 -29.761 1.00 0.00 C ATOM 144 O GLY A 10 2.353 -0.375 -29.684 1.00 0.00 O ATOM 0 H GLY A 10 3.496 -1.930 -27.158 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.628 -3.430 -28.785 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.311 -2.033 -27.775 1.00 0.00 H new ATOM 148 N GLY A 11 1.578 -2.119 -30.902 1.00 0.00 N ATOM 149 CA GLY A 11 1.534 -1.399 -32.174 1.00 0.00 C ATOM 150 C GLY A 11 0.763 -2.174 -33.216 1.00 0.00 C ATOM 151 O GLY A 11 0.047 -3.129 -32.876 1.00 0.00 O ATOM 0 H GLY A 11 1.276 -3.091 -30.967 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.071 -0.423 -32.026 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.549 -1.220 -32.528 1.00 0.00 H new ATOM 155 N LEU A 12 0.914 -1.780 -34.494 1.00 0.00 N ATOM 156 CA LEU A 12 0.251 -2.475 -35.610 1.00 0.00 C ATOM 157 C LEU A 12 1.008 -3.769 -35.953 1.00 0.00 C ATOM 158 O LEU A 12 2.232 -3.848 -35.787 1.00 0.00 O ATOM 159 CB LEU A 12 0.064 -1.535 -36.850 1.00 0.00 C ATOM 160 CG LEU A 12 1.343 -0.930 -37.547 1.00 0.00 C ATOM 161 CD1 LEU A 12 2.038 -1.917 -38.517 1.00 0.00 C ATOM 162 CD2 LEU A 12 1.008 0.397 -38.274 1.00 0.00 C ATOM 0 H LEU A 12 1.488 -0.986 -34.778 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.754 -2.756 -35.297 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.491 -2.092 -37.605 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.568 -0.702 -36.540 1.00 0.00 H new ATOM 0 HG LEU A 12 2.053 -0.728 -36.745 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.910 -1.437 -38.962 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.353 -2.805 -37.969 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.341 -2.205 -39.304 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.908 0.791 -38.745 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.250 0.213 -39.036 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.629 1.121 -37.553 1.00 0.00 H new ATOM 174 N VAL A 13 0.254 -4.774 -36.387 1.00 0.00 N ATOM 175 CA VAL A 13 0.776 -6.077 -36.823 1.00 0.00 C ATOM 176 C VAL A 13 -0.189 -6.659 -37.874 1.00 0.00 C ATOM 177 O VAL A 13 -1.395 -6.448 -37.793 1.00 0.00 O ATOM 178 CB VAL A 13 1.000 -7.060 -35.598 1.00 0.00 C ATOM 179 CG1 VAL A 13 -0.253 -7.150 -34.708 1.00 0.00 C ATOM 180 CG2 VAL A 13 1.471 -8.472 -36.051 1.00 0.00 C ATOM 0 H VAL A 13 -0.762 -4.710 -36.449 1.00 0.00 H new ATOM 0 HA VAL A 13 1.759 -5.947 -37.276 1.00 0.00 H new ATOM 0 HB VAL A 13 1.805 -6.633 -35.000 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.063 -7.832 -33.879 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.493 -6.161 -34.316 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.092 -7.520 -35.297 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.610 -9.107 -35.176 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.719 -8.914 -36.705 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.414 -8.385 -36.590 1.00 0.00 H new ATOM 190 N GLN A 14 0.358 -7.342 -38.882 1.00 0.00 N ATOM 191 CA GLN A 14 -0.423 -7.922 -39.993 1.00 0.00 C ATOM 192 C GLN A 14 -1.357 -9.055 -39.494 1.00 0.00 C ATOM 193 O GLN A 14 -1.081 -9.694 -38.462 1.00 0.00 O ATOM 194 CB GLN A 14 0.556 -8.441 -41.081 1.00 0.00 C ATOM 195 CG GLN A 14 1.445 -9.615 -40.613 1.00 0.00 C ATOM 196 CD GLN A 14 2.638 -9.928 -41.512 1.00 0.00 C ATOM 197 OE1 GLN A 14 3.257 -8.902 -42.067 1.00 0.00 O flip ATOM 198 NE2 GLN A 14 3.029 -11.085 -41.666 1.00 0.00 N flip ATOM 0 H GLN A 14 1.361 -7.513 -38.957 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.063 -7.150 -40.422 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.018 -8.757 -41.952 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.196 -7.619 -41.402 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.814 -9.393 -39.612 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.826 -10.509 -40.534 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.528 -11.856 -41.224 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.854 -11.273 -42.236 1.00 0.00 H new ATOM 207 N ALA A 15 -2.471 -9.282 -40.218 1.00 0.00 N ATOM 208 CA ALA A 15 -3.438 -10.353 -39.898 1.00 0.00 C ATOM 209 C ALA A 15 -2.775 -11.736 -40.060 1.00 0.00 C ATOM 210 O ALA A 15 -2.440 -12.154 -41.173 1.00 0.00 O ATOM 211 CB ALA A 15 -4.687 -10.222 -40.785 1.00 0.00 C ATOM 0 H ALA A 15 -2.726 -8.731 -41.038 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.752 -10.252 -38.859 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.392 -11.016 -40.540 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.157 -9.254 -40.611 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.399 -10.303 -41.833 1.00 0.00 H new ATOM 217 N GLY A 16 -2.563 -12.412 -38.928 1.00 0.00 N ATOM 218 CA GLY A 16 -1.926 -13.730 -38.892 1.00 0.00 C ATOM 219 C GLY A 16 -0.423 -13.647 -38.674 1.00 0.00 C ATOM 220 O GLY A 16 0.281 -14.658 -38.799 1.00 0.00 O ATOM 0 H GLY A 16 -2.829 -12.059 -38.009 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.373 -14.324 -38.095 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.125 -14.252 -39.828 1.00 0.00 H new ATOM 224 N GLY A 17 0.060 -12.442 -38.333 1.00 0.00 N ATOM 225 CA GLY A 17 1.476 -12.210 -38.056 1.00 0.00 C ATOM 226 C GLY A 17 1.835 -12.405 -36.589 1.00 0.00 C ATOM 227 O GLY A 17 1.027 -12.904 -35.799 1.00 0.00 O ATOM 0 H GLY A 17 -0.521 -11.609 -38.243 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.075 -12.888 -38.664 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.738 -11.196 -38.357 1.00 0.00 H new ATOM 231 N SER A 18 3.055 -11.994 -36.222 1.00 0.00 N ATOM 232 CA SER A 18 3.602 -12.167 -34.868 1.00 0.00 C ATOM 233 C SER A 18 4.014 -10.813 -34.270 1.00 0.00 C ATOM 234 O SER A 18 4.434 -9.898 -34.998 1.00 0.00 O ATOM 235 CB SER A 18 4.806 -13.130 -34.926 1.00 0.00 C ATOM 236 OG SER A 18 5.760 -12.712 -35.895 1.00 0.00 O ATOM 0 H SER A 18 3.698 -11.527 -36.862 1.00 0.00 H new ATOM 0 HA SER A 18 2.834 -12.592 -34.222 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.280 -13.182 -33.946 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.459 -14.135 -35.165 1.00 0.00 H new ATOM 0 HG SER A 18 6.511 -13.341 -35.907 1.00 0.00 H new ATOM 242 N LEU A 19 3.900 -10.706 -32.938 1.00 0.00 N ATOM 243 CA LEU A 19 4.254 -9.497 -32.186 1.00 0.00 C ATOM 244 C LEU A 19 4.656 -9.913 -30.762 1.00 0.00 C ATOM 245 O LEU A 19 3.891 -10.590 -30.075 1.00 0.00 O ATOM 246 CB LEU A 19 3.053 -8.501 -32.159 1.00 0.00 C ATOM 247 CG LEU A 19 3.362 -7.073 -31.619 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.402 -6.360 -32.508 1.00 0.00 C ATOM 249 CD2 LEU A 19 2.073 -6.230 -31.473 1.00 0.00 C ATOM 0 H LEU A 19 3.556 -11.464 -32.349 1.00 0.00 H new ATOM 0 HA LEU A 19 5.089 -8.988 -32.667 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.661 -8.408 -33.172 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.261 -8.935 -31.549 1.00 0.00 H new ATOM 0 HG LEU A 19 3.792 -7.181 -30.623 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.600 -5.365 -32.109 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.327 -6.937 -32.520 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.015 -6.274 -33.523 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.327 -5.240 -31.094 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.589 -6.133 -32.445 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.394 -6.722 -30.777 1.00 0.00 H new ATOM 261 N ARG A 20 5.870 -9.540 -30.334 1.00 0.00 N ATOM 262 CA ARG A 20 6.386 -9.898 -28.998 1.00 0.00 C ATOM 263 C ARG A 20 6.218 -8.717 -28.024 1.00 0.00 C ATOM 264 O ARG A 20 6.872 -7.679 -28.162 1.00 0.00 O ATOM 265 CB ARG A 20 7.867 -10.346 -29.074 1.00 0.00 C ATOM 266 CG ARG A 20 8.409 -10.919 -27.740 1.00 0.00 C ATOM 267 CD ARG A 20 9.887 -11.320 -27.822 1.00 0.00 C ATOM 268 NE ARG A 20 10.363 -11.951 -26.577 1.00 0.00 N ATOM 269 CZ ARG A 20 11.634 -11.992 -26.171 1.00 0.00 C ATOM 270 NH1 ARG A 20 12.594 -11.388 -26.860 1.00 0.00 N ATOM 271 NH2 ARG A 20 11.937 -12.636 -25.059 1.00 0.00 N ATOM 0 H ARG A 20 6.519 -8.987 -30.894 1.00 0.00 H new ATOM 0 HA ARG A 20 5.805 -10.740 -28.622 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.970 -11.101 -29.853 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.481 -9.496 -29.371 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.282 -10.176 -26.953 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.817 -11.789 -27.456 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.029 -12.010 -28.654 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.490 -10.437 -28.033 1.00 0.00 H new ATOM 0 HE ARG A 20 9.665 -12.392 -25.978 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.366 -10.881 -27.716 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.560 -11.430 -26.534 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.203 -13.096 -24.520 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.905 -12.674 -24.739 1.00 0.00 H new ATOM 285 N LEU A 21 5.321 -8.891 -27.052 1.00 0.00 N ATOM 286 CA LEU A 21 5.037 -7.898 -26.008 1.00 0.00 C ATOM 287 C LEU A 21 6.023 -8.054 -24.840 1.00 0.00 C ATOM 288 O LEU A 21 6.642 -9.109 -24.673 1.00 0.00 O ATOM 289 CB LEU A 21 3.559 -8.033 -25.525 1.00 0.00 C ATOM 290 CG LEU A 21 2.459 -7.501 -26.503 1.00 0.00 C ATOM 291 CD1 LEU A 21 2.653 -6.006 -26.782 1.00 0.00 C ATOM 292 CD2 LEU A 21 2.393 -8.309 -27.817 1.00 0.00 C ATOM 0 H LEU A 21 4.761 -9.739 -26.964 1.00 0.00 H new ATOM 0 HA LEU A 21 5.166 -6.898 -26.423 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.359 -9.086 -25.325 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.459 -7.504 -24.577 1.00 0.00 H new ATOM 0 HG LEU A 21 1.499 -7.638 -26.005 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.877 -5.659 -27.464 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.589 -5.450 -25.847 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.632 -5.844 -27.234 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.614 -7.898 -28.458 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.353 -8.250 -28.329 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.165 -9.351 -27.592 1.00 0.00 H new ATOM 304 N SER A 22 6.193 -6.979 -24.066 1.00 0.00 N ATOM 305 CA SER A 22 7.095 -6.967 -22.908 1.00 0.00 C ATOM 306 C SER A 22 6.536 -6.044 -21.814 1.00 0.00 C ATOM 307 O SER A 22 5.729 -5.150 -22.097 1.00 0.00 O ATOM 308 CB SER A 22 8.519 -6.522 -23.336 1.00 0.00 C ATOM 309 OG SER A 22 9.436 -6.626 -22.257 1.00 0.00 O ATOM 0 H SER A 22 5.711 -6.094 -24.223 1.00 0.00 H new ATOM 0 HA SER A 22 7.165 -7.977 -22.503 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.861 -7.138 -24.168 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.489 -5.493 -23.693 1.00 0.00 H new ATOM 0 HG SER A 22 9.166 -7.361 -21.668 1.00 0.00 H new ATOM 315 N CYS A 23 6.973 -6.272 -20.566 1.00 0.00 N ATOM 316 CA CYS A 23 6.554 -5.476 -19.401 1.00 0.00 C ATOM 317 C CYS A 23 7.742 -5.284 -18.448 1.00 0.00 C ATOM 318 O CYS A 23 8.322 -6.258 -17.972 1.00 0.00 O ATOM 319 CB CYS A 23 5.381 -6.152 -18.657 1.00 0.00 C ATOM 320 SG CYS A 23 4.871 -5.298 -17.146 1.00 0.00 S ATOM 0 H CYS A 23 7.630 -7.017 -20.335 1.00 0.00 H new ATOM 0 HA CYS A 23 6.213 -4.503 -19.755 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.527 -6.216 -19.331 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.666 -7.174 -18.405 1.00 0.00 H new ATOM 0 HG CYS A 23 3.655 -5.642 -16.843 1.00 0.00 H new ATOM 326 N ALA A 24 8.107 -4.023 -18.190 1.00 0.00 N ATOM 327 CA ALA A 24 9.140 -3.660 -17.217 1.00 0.00 C ATOM 328 C ALA A 24 8.502 -3.586 -15.819 1.00 0.00 C ATOM 329 O ALA A 24 7.736 -2.664 -15.532 1.00 0.00 O ATOM 330 CB ALA A 24 9.788 -2.318 -17.612 1.00 0.00 C ATOM 0 H ALA A 24 7.688 -3.218 -18.657 1.00 0.00 H new ATOM 0 HA ALA A 24 9.927 -4.414 -17.204 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.555 -2.056 -16.883 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.242 -2.409 -18.599 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.026 -1.539 -17.634 1.00 0.00 H new ATOM 336 N ALA A 25 8.840 -4.548 -14.953 1.00 0.00 N ATOM 337 CA ALA A 25 8.220 -4.702 -13.629 1.00 0.00 C ATOM 338 C ALA A 25 9.166 -4.157 -12.560 1.00 0.00 C ATOM 339 O ALA A 25 10.383 -4.340 -12.641 1.00 0.00 O ATOM 340 CB ALA A 25 7.899 -6.185 -13.367 1.00 0.00 C ATOM 0 H ALA A 25 9.556 -5.247 -15.151 1.00 0.00 H new ATOM 0 HA ALA A 25 7.287 -4.140 -13.594 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.440 -6.290 -12.384 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.210 -6.548 -14.130 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.819 -6.768 -13.402 1.00 0.00 H new ATOM 346 N SER A 26 8.590 -3.459 -11.578 1.00 0.00 N ATOM 347 CA SER A 26 9.337 -2.790 -10.512 1.00 0.00 C ATOM 348 C SER A 26 8.419 -2.553 -9.300 1.00 0.00 C ATOM 349 O SER A 26 7.191 -2.539 -9.427 1.00 0.00 O ATOM 350 CB SER A 26 9.918 -1.450 -11.030 1.00 0.00 C ATOM 351 OG SER A 26 10.782 -0.860 -10.077 1.00 0.00 O ATOM 0 H SER A 26 7.580 -3.342 -11.501 1.00 0.00 H new ATOM 0 HA SER A 26 10.166 -3.426 -10.201 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.462 -1.622 -11.959 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.104 -0.763 -11.260 1.00 0.00 H new ATOM 0 HG SER A 26 11.134 -0.017 -10.432 1.00 0.00 H new ATOM 357 N GLY A 27 9.028 -2.369 -8.121 1.00 0.00 N ATOM 358 CA GLY A 27 8.293 -2.129 -6.876 1.00 0.00 C ATOM 359 C GLY A 27 8.303 -3.358 -5.983 1.00 0.00 C ATOM 360 O GLY A 27 9.250 -3.570 -5.221 1.00 0.00 O ATOM 0 H GLY A 27 10.041 -2.383 -8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.738 -1.287 -6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.264 -1.853 -7.106 1.00 0.00 H new ATOM 364 N ARG A 28 7.254 -4.186 -6.101 1.00 0.00 N ATOM 365 CA ARG A 28 7.077 -5.402 -5.273 1.00 0.00 C ATOM 366 C ARG A 28 7.710 -6.618 -5.999 1.00 0.00 C ATOM 367 O ARG A 28 7.823 -6.613 -7.236 1.00 0.00 O ATOM 368 CB ARG A 28 5.548 -5.628 -4.992 1.00 0.00 C ATOM 369 CG ARG A 28 5.179 -6.081 -3.551 1.00 0.00 C ATOM 370 CD ARG A 28 5.602 -7.517 -3.210 1.00 0.00 C ATOM 371 NE ARG A 28 5.150 -7.912 -1.859 1.00 0.00 N ATOM 372 CZ ARG A 28 5.820 -8.703 -1.004 1.00 0.00 C ATOM 373 NH1 ARG A 28 7.021 -9.183 -1.309 1.00 0.00 N ATOM 374 NH2 ARG A 28 5.283 -9.010 0.169 1.00 0.00 N ATOM 0 H ARG A 28 6.501 -4.037 -6.772 1.00 0.00 H new ATOM 0 HA ARG A 28 7.581 -5.281 -4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.019 -4.700 -5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.177 -6.376 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.644 -5.399 -2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.101 -5.992 -3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.188 -8.204 -3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.687 -7.601 -3.270 1.00 0.00 H new ATOM 0 HE ARG A 28 4.248 -7.552 -1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.450 -8.952 -2.205 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.514 -9.782 -0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.364 -8.646 0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.789 -9.610 0.820 1.00 0.00 H new ATOM 388 N THR A 29 8.125 -7.639 -5.235 1.00 0.00 N ATOM 389 CA THR A 29 8.661 -8.894 -5.791 1.00 0.00 C ATOM 390 C THR A 29 7.543 -9.716 -6.476 1.00 0.00 C ATOM 391 O THR A 29 6.926 -10.595 -5.868 1.00 0.00 O ATOM 392 CB THR A 29 9.376 -9.749 -4.682 1.00 0.00 C ATOM 393 OG1 THR A 29 8.482 -9.942 -3.572 1.00 0.00 O ATOM 394 CG2 THR A 29 10.671 -9.090 -4.183 1.00 0.00 C ATOM 0 H THR A 29 8.099 -7.620 -4.215 1.00 0.00 H new ATOM 0 HA THR A 29 9.404 -8.631 -6.544 1.00 0.00 H new ATOM 0 HB THR A 29 9.643 -10.707 -5.129 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.608 -10.235 -3.903 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.128 -9.718 -3.418 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.363 -8.971 -5.016 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.442 -8.112 -3.760 1.00 0.00 H new ATOM 402 N PHE A 30 7.278 -9.386 -7.763 1.00 0.00 N ATOM 403 CA PHE A 30 6.287 -10.095 -8.614 1.00 0.00 C ATOM 404 C PHE A 30 6.697 -11.576 -8.839 1.00 0.00 C ATOM 405 O PHE A 30 5.871 -12.406 -9.221 1.00 0.00 O ATOM 406 CB PHE A 30 6.129 -9.372 -9.985 1.00 0.00 C ATOM 407 CG PHE A 30 7.313 -9.558 -10.947 1.00 0.00 C ATOM 408 CD1 PHE A 30 7.179 -10.296 -12.128 1.00 0.00 C ATOM 409 CD2 PHE A 30 8.567 -9.026 -10.649 1.00 0.00 C ATOM 410 CE1 PHE A 30 8.256 -10.496 -12.973 1.00 0.00 C ATOM 411 CE2 PHE A 30 9.636 -9.222 -11.495 1.00 0.00 C ATOM 412 CZ PHE A 30 9.481 -9.958 -12.656 1.00 0.00 C ATOM 0 H PHE A 30 7.746 -8.618 -8.244 1.00 0.00 H new ATOM 0 HA PHE A 30 5.330 -10.081 -8.092 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.223 -9.735 -10.470 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.988 -8.306 -9.805 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.218 -10.717 -12.384 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.702 -8.453 -9.743 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.135 -11.073 -13.878 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.599 -8.799 -11.251 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.323 -10.110 -13.314 1.00 0.00 H new ATOM 422 N SER A 31 7.998 -11.846 -8.613 1.00 0.00 N ATOM 423 CA SER A 31 8.637 -13.169 -8.711 1.00 0.00 C ATOM 424 C SER A 31 7.869 -14.271 -7.952 1.00 0.00 C ATOM 425 O SER A 31 7.737 -15.394 -8.444 1.00 0.00 O ATOM 426 CB SER A 31 10.073 -13.045 -8.149 1.00 0.00 C ATOM 427 OG SER A 31 10.064 -12.488 -6.842 1.00 0.00 O ATOM 0 H SER A 31 8.658 -11.116 -8.346 1.00 0.00 H new ATOM 0 HA SER A 31 8.641 -13.469 -9.759 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.544 -14.028 -8.126 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.673 -12.420 -8.810 1.00 0.00 H new ATOM 0 HG SER A 31 10.983 -12.422 -6.508 1.00 0.00 H new ATOM 433 N SER A 32 7.366 -13.914 -6.760 1.00 0.00 N ATOM 434 CA SER A 32 6.635 -14.828 -5.863 1.00 0.00 C ATOM 435 C SER A 32 5.176 -15.054 -6.322 1.00 0.00 C ATOM 436 O SER A 32 4.555 -16.060 -5.964 1.00 0.00 O ATOM 437 CB SER A 32 6.659 -14.250 -4.433 1.00 0.00 C ATOM 438 OG SER A 32 7.989 -13.960 -4.026 1.00 0.00 O ATOM 0 H SER A 32 7.456 -12.970 -6.385 1.00 0.00 H new ATOM 0 HA SER A 32 7.130 -15.799 -5.888 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.056 -13.343 -4.393 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.210 -14.962 -3.741 1.00 0.00 H new ATOM 0 HG SER A 32 7.980 -13.593 -3.117 1.00 0.00 H new ATOM 444 N TYR A 33 4.641 -14.119 -7.118 1.00 0.00 N ATOM 445 CA TYR A 33 3.236 -14.144 -7.569 1.00 0.00 C ATOM 446 C TYR A 33 3.124 -14.763 -8.968 1.00 0.00 C ATOM 447 O TYR A 33 4.049 -14.658 -9.780 1.00 0.00 O ATOM 448 CB TYR A 33 2.654 -12.701 -7.584 1.00 0.00 C ATOM 449 CG TYR A 33 2.745 -11.995 -6.224 1.00 0.00 C ATOM 450 CD1 TYR A 33 3.807 -11.142 -5.924 1.00 0.00 C ATOM 451 CD2 TYR A 33 1.786 -12.210 -5.233 1.00 0.00 C ATOM 452 CE1 TYR A 33 3.906 -10.526 -4.697 1.00 0.00 C ATOM 453 CE2 TYR A 33 1.882 -11.590 -4.004 1.00 0.00 C ATOM 454 CZ TYR A 33 2.947 -10.752 -3.742 1.00 0.00 C ATOM 455 OH TYR A 33 3.045 -10.133 -2.525 1.00 0.00 O ATOM 0 H TYR A 33 5.169 -13.320 -7.470 1.00 0.00 H new ATOM 0 HA TYR A 33 2.664 -14.756 -6.872 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.187 -12.110 -8.329 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.610 -12.741 -7.896 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.567 -10.961 -6.670 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.956 -12.872 -5.431 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.736 -9.867 -4.487 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.127 -11.760 -3.250 1.00 0.00 H new ATOM 0 HH TYR A 33 2.287 -10.397 -1.962 1.00 0.00 H new ATOM 465 N ALA A 34 1.986 -15.428 -9.224 1.00 0.00 N ATOM 466 CA ALA A 34 1.577 -15.821 -10.577 1.00 0.00 C ATOM 467 C ALA A 34 1.045 -14.577 -11.320 1.00 0.00 C ATOM 468 O ALA A 34 0.621 -13.606 -10.684 1.00 0.00 O ATOM 469 CB ALA A 34 0.522 -16.941 -10.509 1.00 0.00 C ATOM 0 H ALA A 34 1.326 -15.707 -8.498 1.00 0.00 H new ATOM 0 HA ALA A 34 2.431 -16.215 -11.128 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.226 -17.224 -11.519 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.943 -17.807 -9.998 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.351 -16.586 -9.962 1.00 0.00 H new ATOM 475 N MET A 35 1.078 -14.607 -12.654 1.00 0.00 N ATOM 476 CA MET A 35 0.751 -13.437 -13.497 1.00 0.00 C ATOM 477 C MET A 35 -0.029 -13.882 -14.742 1.00 0.00 C ATOM 478 O MET A 35 0.295 -14.908 -15.336 1.00 0.00 O ATOM 479 CB MET A 35 2.067 -12.729 -13.918 1.00 0.00 C ATOM 480 CG MET A 35 1.895 -11.496 -14.834 1.00 0.00 C ATOM 481 SD MET A 35 3.380 -11.166 -15.801 1.00 0.00 S ATOM 482 CE MET A 35 3.502 -12.689 -16.747 1.00 0.00 C ATOM 0 H MET A 35 1.331 -15.439 -13.187 1.00 0.00 H new ATOM 0 HA MET A 35 0.130 -12.744 -12.929 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.597 -12.420 -13.017 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.702 -13.453 -14.428 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.052 -11.658 -15.506 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.655 -10.623 -14.227 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.702 -12.453 -17.792 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.314 -13.299 -16.351 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.565 -13.240 -16.672 1.00 0.00 H new ATOM 492 N GLY A 36 -1.029 -13.088 -15.151 1.00 0.00 N ATOM 493 CA GLY A 36 -1.845 -13.383 -16.331 1.00 0.00 C ATOM 494 C GLY A 36 -2.037 -12.166 -17.222 1.00 0.00 C ATOM 495 O GLY A 36 -2.168 -11.043 -16.731 1.00 0.00 O ATOM 0 H GLY A 36 -1.292 -12.226 -14.673 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.373 -14.180 -16.906 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.819 -13.754 -16.012 1.00 0.00 H new ATOM 499 N TRP A 37 -2.035 -12.402 -18.540 1.00 0.00 N ATOM 500 CA TRP A 37 -2.375 -11.406 -19.568 1.00 0.00 C ATOM 501 C TRP A 37 -3.846 -11.593 -19.978 1.00 0.00 C ATOM 502 O TRP A 37 -4.276 -12.721 -20.266 1.00 0.00 O ATOM 503 CB TRP A 37 -1.440 -11.558 -20.800 1.00 0.00 C ATOM 504 CG TRP A 37 0.010 -11.201 -20.528 1.00 0.00 C ATOM 505 CD1 TRP A 37 0.935 -11.935 -19.830 1.00 0.00 C ATOM 506 CD2 TRP A 37 0.691 -10.008 -20.953 1.00 0.00 C ATOM 507 NE1 TRP A 37 2.147 -11.286 -19.830 1.00 0.00 N ATOM 508 CE2 TRP A 37 2.019 -10.097 -20.500 1.00 0.00 C ATOM 509 CE3 TRP A 37 0.301 -8.873 -21.680 1.00 0.00 C ATOM 510 CZ2 TRP A 37 2.963 -9.097 -20.751 1.00 0.00 C ATOM 511 CZ3 TRP A 37 1.235 -7.882 -21.921 1.00 0.00 C ATOM 512 CH2 TRP A 37 2.554 -7.998 -21.458 1.00 0.00 C ATOM 0 H TRP A 37 -1.791 -13.312 -18.932 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.237 -10.403 -19.165 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.489 -12.588 -21.154 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.813 -10.926 -21.606 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.740 -12.883 -19.351 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.004 -11.634 -19.400 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.711 -8.775 -22.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.980 -9.188 -20.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.943 -7.003 -22.476 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.260 -7.206 -21.663 1.00 0.00 H new ATOM 523 N PHE A 38 -4.607 -10.485 -19.963 1.00 0.00 N ATOM 524 CA PHE A 38 -6.057 -10.463 -20.253 1.00 0.00 C ATOM 525 C PHE A 38 -6.364 -9.317 -21.241 1.00 0.00 C ATOM 526 O PHE A 38 -5.761 -8.247 -21.129 1.00 0.00 O ATOM 527 CB PHE A 38 -6.859 -10.256 -18.936 1.00 0.00 C ATOM 528 CG PHE A 38 -6.549 -11.244 -17.813 1.00 0.00 C ATOM 529 CD1 PHE A 38 -7.147 -12.501 -17.782 1.00 0.00 C ATOM 530 CD2 PHE A 38 -5.659 -10.913 -16.792 1.00 0.00 C ATOM 531 CE1 PHE A 38 -6.868 -13.395 -16.771 1.00 0.00 C ATOM 532 CE2 PHE A 38 -5.380 -11.809 -15.776 1.00 0.00 C ATOM 533 CZ PHE A 38 -5.981 -13.051 -15.770 1.00 0.00 C ATOM 0 H PHE A 38 -4.229 -9.563 -19.746 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.351 -11.414 -20.698 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.669 -9.247 -18.571 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.923 -10.317 -19.166 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.840 -12.780 -18.562 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.181 -9.944 -16.795 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.343 -14.365 -16.762 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.693 -11.537 -14.989 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.758 -13.755 -14.982 1.00 0.00 H new ATOM 543 N ARG A 39 -7.312 -9.522 -22.186 1.00 0.00 N ATOM 544 CA ARG A 39 -7.591 -8.529 -23.270 1.00 0.00 C ATOM 545 C ARG A 39 -9.073 -8.124 -23.321 1.00 0.00 C ATOM 546 O ARG A 39 -9.945 -8.885 -22.886 1.00 0.00 O ATOM 547 CB ARG A 39 -7.176 -9.096 -24.655 1.00 0.00 C ATOM 548 CG ARG A 39 -8.058 -10.266 -25.158 1.00 0.00 C ATOM 549 CD ARG A 39 -7.608 -10.820 -26.517 1.00 0.00 C ATOM 550 NE ARG A 39 -8.403 -11.988 -26.934 1.00 0.00 N ATOM 551 CZ ARG A 39 -8.034 -12.875 -27.864 1.00 0.00 C ATOM 552 NH1 ARG A 39 -6.838 -12.808 -28.437 1.00 0.00 N ATOM 553 NH2 ARG A 39 -8.861 -13.857 -28.185 1.00 0.00 N ATOM 0 H ARG A 39 -7.896 -10.357 -22.227 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.000 -7.643 -23.038 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.209 -8.290 -25.389 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.141 -9.435 -24.600 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.040 -11.069 -24.421 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.091 -9.927 -25.235 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.692 -10.038 -27.272 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.556 -11.100 -26.463 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.304 -12.131 -26.478 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.185 -12.072 -28.169 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.573 -13.493 -29.145 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.768 -13.931 -27.725 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.591 -14.540 -28.893 1.00 0.00 H new ATOM 567 N GLN A 40 -9.335 -6.918 -23.878 1.00 0.00 N ATOM 568 CA GLN A 40 -10.700 -6.433 -24.189 1.00 0.00 C ATOM 569 C GLN A 40 -10.652 -5.222 -25.134 1.00 0.00 C ATOM 570 O GLN A 40 -9.732 -4.412 -25.034 1.00 0.00 O ATOM 571 CB GLN A 40 -11.484 -6.109 -22.885 1.00 0.00 C ATOM 572 CG GLN A 40 -10.814 -5.135 -21.869 1.00 0.00 C ATOM 573 CD GLN A 40 -11.087 -3.644 -22.097 1.00 0.00 C ATOM 574 OE1 GLN A 40 -10.242 -2.801 -21.803 1.00 0.00 O ATOM 575 NE2 GLN A 40 -12.283 -3.305 -22.580 1.00 0.00 N ATOM 0 H GLN A 40 -8.603 -6.252 -24.125 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.235 -7.230 -24.705 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.449 -5.689 -23.168 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.684 -7.048 -22.370 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.151 -5.398 -20.866 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.736 -5.296 -21.896 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.962 -4.029 -22.814 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.518 -2.322 -22.715 1.00 0.00 H new ATOM 584 N ALA A 41 -11.652 -5.145 -26.053 1.00 0.00 N ATOM 585 CA ALA A 41 -11.832 -4.041 -27.040 1.00 0.00 C ATOM 586 C ALA A 41 -12.886 -4.404 -28.137 1.00 0.00 C ATOM 587 O ALA A 41 -13.781 -3.588 -28.383 1.00 0.00 O ATOM 588 CB ALA A 41 -10.535 -3.574 -27.739 1.00 0.00 C ATOM 0 H ALA A 41 -12.372 -5.863 -26.131 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.187 -3.210 -26.430 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.767 -2.770 -28.437 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.829 -3.213 -26.992 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.093 -4.410 -28.282 1.00 0.00 H new ATOM 594 N PRO A 42 -12.803 -5.616 -28.833 1.00 0.00 N ATOM 595 CA PRO A 42 -13.683 -5.936 -30.003 1.00 0.00 C ATOM 596 C PRO A 42 -15.106 -6.392 -29.588 1.00 0.00 C ATOM 597 O PRO A 42 -15.534 -7.516 -29.894 1.00 0.00 O ATOM 598 CB PRO A 42 -12.883 -7.060 -30.718 1.00 0.00 C ATOM 599 CG PRO A 42 -12.239 -7.812 -29.594 1.00 0.00 C ATOM 600 CD PRO A 42 -11.859 -6.758 -28.571 1.00 0.00 C ATOM 0 HA PRO A 42 -13.882 -5.071 -30.636 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.537 -7.703 -31.307 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.140 -6.649 -31.402 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.924 -8.545 -29.168 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.362 -8.359 -29.939 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.967 -7.136 -27.554 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.820 -6.448 -28.688 1.00 0.00 H new ATOM 608 N GLY A 43 -15.836 -5.488 -28.910 1.00 0.00 N ATOM 609 CA GLY A 43 -17.174 -5.785 -28.387 1.00 0.00 C ATOM 610 C GLY A 43 -17.176 -6.829 -27.277 1.00 0.00 C ATOM 611 O GLY A 43 -18.204 -7.456 -27.012 1.00 0.00 O ATOM 0 H GLY A 43 -15.515 -4.540 -28.713 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -17.620 -4.865 -28.010 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.805 -6.134 -29.204 1.00 0.00 H new ATOM 615 N LYS A 44 -16.014 -7.005 -26.624 1.00 0.00 N ATOM 616 CA LYS A 44 -15.792 -8.057 -25.611 1.00 0.00 C ATOM 617 C LYS A 44 -15.237 -7.454 -24.315 1.00 0.00 C ATOM 618 O LYS A 44 -14.528 -6.434 -24.338 1.00 0.00 O ATOM 619 CB LYS A 44 -14.806 -9.136 -26.150 1.00 0.00 C ATOM 620 CG LYS A 44 -15.276 -9.852 -27.442 1.00 0.00 C ATOM 621 CD LYS A 44 -14.388 -11.054 -27.826 1.00 0.00 C ATOM 622 CE LYS A 44 -14.450 -12.189 -26.780 1.00 0.00 C ATOM 623 NZ LYS A 44 -13.570 -13.328 -27.133 1.00 0.00 N ATOM 0 H LYS A 44 -15.195 -6.418 -26.784 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.753 -8.526 -25.399 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.842 -8.665 -26.342 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.647 -9.884 -25.373 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.302 -10.194 -27.308 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.284 -9.137 -28.264 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.703 -11.440 -28.796 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.356 -10.720 -27.935 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.160 -11.798 -25.805 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.478 -12.541 -26.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.198 -13.762 -26.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.114 -14.035 -27.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.779 -12.988 -27.716 1.00 0.00 H new ATOM 637 N GLU A 45 -15.561 -8.112 -23.190 1.00 0.00 N ATOM 638 CA GLU A 45 -15.055 -7.753 -21.858 1.00 0.00 C ATOM 639 C GLU A 45 -13.714 -8.461 -21.607 1.00 0.00 C ATOM 640 O GLU A 45 -13.279 -9.288 -22.422 1.00 0.00 O ATOM 641 CB GLU A 45 -16.100 -8.137 -20.785 1.00 0.00 C ATOM 642 CG GLU A 45 -17.483 -7.500 -21.015 1.00 0.00 C ATOM 643 CD GLU A 45 -18.532 -7.914 -19.967 1.00 0.00 C ATOM 644 OE1 GLU A 45 -18.836 -7.115 -19.053 1.00 0.00 O ATOM 645 OE2 GLU A 45 -19.043 -9.051 -20.053 1.00 0.00 O ATOM 0 H GLU A 45 -16.188 -8.916 -23.181 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.888 -6.677 -21.802 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.207 -9.222 -20.766 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.729 -7.836 -19.805 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.380 -6.415 -21.006 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.842 -7.778 -22.006 1.00 0.00 H new ATOM 652 N ARG A 46 -13.061 -8.120 -20.478 1.00 0.00 N ATOM 653 CA ARG A 46 -11.697 -8.592 -20.171 1.00 0.00 C ATOM 654 C ARG A 46 -11.688 -10.099 -19.876 1.00 0.00 C ATOM 655 O ARG A 46 -12.193 -10.555 -18.844 1.00 0.00 O ATOM 656 CB ARG A 46 -11.078 -7.773 -19.017 1.00 0.00 C ATOM 657 CG ARG A 46 -9.593 -8.100 -18.742 1.00 0.00 C ATOM 658 CD ARG A 46 -8.874 -7.011 -17.937 1.00 0.00 C ATOM 659 NE ARG A 46 -8.837 -5.733 -18.683 1.00 0.00 N ATOM 660 CZ ARG A 46 -9.425 -4.580 -18.305 1.00 0.00 C ATOM 661 NH1 ARG A 46 -10.140 -4.518 -17.183 1.00 0.00 N ATOM 662 NH2 ARG A 46 -9.304 -3.496 -19.065 1.00 0.00 N ATOM 0 H ARG A 46 -13.460 -7.515 -19.760 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.074 -8.434 -21.051 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.169 -6.712 -19.248 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.653 -7.952 -18.109 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.530 -9.044 -18.201 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.077 -8.241 -19.692 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.382 -6.864 -16.984 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.858 -7.333 -17.711 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.320 -5.724 -19.562 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.247 -5.348 -16.600 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.580 -3.640 -16.907 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.767 -3.538 -19.931 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.748 -2.622 -18.782 1.00 0.00 H new ATOM 676 N GLU A 47 -11.118 -10.853 -20.821 1.00 0.00 N ATOM 677 CA GLU A 47 -11.177 -12.317 -20.856 1.00 0.00 C ATOM 678 C GLU A 47 -9.794 -12.939 -20.602 1.00 0.00 C ATOM 679 O GLU A 47 -8.760 -12.287 -20.807 1.00 0.00 O ATOM 680 CB GLU A 47 -11.715 -12.772 -22.234 1.00 0.00 C ATOM 681 CG GLU A 47 -10.796 -12.429 -23.436 1.00 0.00 C ATOM 682 CD GLU A 47 -11.337 -12.912 -24.789 1.00 0.00 C ATOM 683 OE1 GLU A 47 -11.236 -12.169 -25.796 1.00 0.00 O ATOM 684 OE2 GLU A 47 -11.870 -14.040 -24.854 1.00 0.00 O ATOM 0 H GLU A 47 -10.592 -10.454 -21.599 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.845 -12.656 -20.064 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.871 -13.851 -22.210 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.690 -12.313 -22.397 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.655 -11.349 -23.477 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.814 -12.873 -23.269 1.00 0.00 H new ATOM 691 N PHE A 48 -9.808 -14.207 -20.157 1.00 0.00 N ATOM 692 CA PHE A 48 -8.600 -15.033 -20.008 1.00 0.00 C ATOM 693 C PHE A 48 -7.931 -15.280 -21.375 1.00 0.00 C ATOM 694 O PHE A 48 -8.563 -15.812 -22.300 1.00 0.00 O ATOM 695 CB PHE A 48 -8.969 -16.377 -19.313 1.00 0.00 C ATOM 696 CG PHE A 48 -7.901 -17.478 -19.411 1.00 0.00 C ATOM 697 CD1 PHE A 48 -6.669 -17.352 -18.766 1.00 0.00 C ATOM 698 CD2 PHE A 48 -8.125 -18.627 -20.174 1.00 0.00 C ATOM 699 CE1 PHE A 48 -5.709 -18.343 -18.876 1.00 0.00 C ATOM 700 CE2 PHE A 48 -7.165 -19.611 -20.275 1.00 0.00 C ATOM 701 CZ PHE A 48 -5.955 -19.465 -19.633 1.00 0.00 C ATOM 0 H PHE A 48 -10.665 -14.690 -19.889 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.881 -14.501 -19.384 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -9.170 -16.180 -18.260 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.895 -16.751 -19.749 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.463 -16.472 -18.175 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.065 -18.746 -20.693 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.763 -18.235 -18.366 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.362 -20.498 -20.859 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.199 -20.231 -19.724 1.00 0.00 H new ATOM 711 N VAL A 49 -6.656 -14.869 -21.487 1.00 0.00 N ATOM 712 CA VAL A 49 -5.807 -15.175 -22.648 1.00 0.00 C ATOM 713 C VAL A 49 -4.781 -16.236 -22.235 1.00 0.00 C ATOM 714 O VAL A 49 -4.853 -17.382 -22.679 1.00 0.00 O ATOM 715 CB VAL A 49 -5.065 -13.896 -23.191 1.00 0.00 C ATOM 716 CG1 VAL A 49 -4.200 -14.215 -24.439 1.00 0.00 C ATOM 717 CG2 VAL A 49 -6.072 -12.766 -23.472 1.00 0.00 C ATOM 0 H VAL A 49 -6.185 -14.314 -20.772 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.442 -15.545 -23.453 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.380 -13.554 -22.416 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.706 -13.306 -24.781 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.449 -14.961 -24.180 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.837 -14.603 -25.234 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.541 -11.891 -23.846 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.794 -13.099 -24.218 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.595 -12.507 -22.551 1.00 0.00 H new ATOM 727 N ALA A 50 -3.862 -15.849 -21.332 1.00 0.00 N ATOM 728 CA ALA A 50 -2.744 -16.707 -20.916 1.00 0.00 C ATOM 729 C ALA A 50 -2.276 -16.335 -19.501 1.00 0.00 C ATOM 730 O ALA A 50 -2.112 -15.163 -19.195 1.00 0.00 O ATOM 731 CB ALA A 50 -1.596 -16.584 -21.935 1.00 0.00 C ATOM 0 H ALA A 50 -3.875 -14.938 -20.874 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.075 -17.745 -20.889 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.766 -17.220 -21.627 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.947 -16.897 -22.918 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.261 -15.548 -21.982 1.00 0.00 H new ATOM 737 N VAL A 51 -2.068 -17.350 -18.649 1.00 0.00 N ATOM 738 CA VAL A 51 -1.564 -17.185 -17.261 1.00 0.00 C ATOM 739 C VAL A 51 -0.271 -18.008 -17.107 1.00 0.00 C ATOM 740 O VAL A 51 -0.033 -18.941 -17.862 1.00 0.00 O ATOM 741 CB VAL A 51 -2.666 -17.614 -16.188 1.00 0.00 C ATOM 742 CG1 VAL A 51 -2.124 -17.647 -14.731 1.00 0.00 C ATOM 743 CG2 VAL A 51 -3.905 -16.685 -16.267 1.00 0.00 C ATOM 0 H VAL A 51 -2.245 -18.323 -18.899 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.345 -16.134 -17.074 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.954 -18.633 -16.446 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.923 -17.946 -14.052 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.304 -18.362 -14.664 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.764 -16.656 -14.454 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.642 -16.997 -15.527 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.602 -15.657 -16.067 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.343 -16.747 -17.263 1.00 0.00 H new ATOM 753 N VAL A 52 0.581 -17.622 -16.161 1.00 0.00 N ATOM 754 CA VAL A 52 1.807 -18.351 -15.814 1.00 0.00 C ATOM 755 C VAL A 52 1.930 -18.386 -14.285 1.00 0.00 C ATOM 756 O VAL A 52 1.426 -17.489 -13.602 1.00 0.00 O ATOM 757 CB VAL A 52 3.089 -17.679 -16.455 1.00 0.00 C ATOM 758 CG1 VAL A 52 3.423 -16.315 -15.792 1.00 0.00 C ATOM 759 CG2 VAL A 52 4.317 -18.633 -16.442 1.00 0.00 C ATOM 0 H VAL A 52 0.440 -16.780 -15.602 1.00 0.00 H new ATOM 0 HA VAL A 52 1.745 -19.363 -16.214 1.00 0.00 H new ATOM 0 HB VAL A 52 2.847 -17.481 -17.499 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.309 -15.889 -16.262 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.582 -15.633 -15.919 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.612 -16.464 -14.729 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.173 -18.130 -16.891 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.555 -18.906 -15.414 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.085 -19.533 -17.012 1.00 0.00 H new ATOM 769 N ASN A 53 2.555 -19.437 -13.756 1.00 0.00 N ATOM 770 CA ASN A 53 2.910 -19.520 -12.328 1.00 0.00 C ATOM 771 C ASN A 53 4.246 -18.803 -12.061 1.00 0.00 C ATOM 772 O ASN A 53 4.963 -18.426 -12.998 1.00 0.00 O ATOM 773 CB ASN A 53 2.932 -21.002 -11.868 1.00 0.00 C ATOM 774 CG ASN A 53 1.556 -21.508 -11.413 1.00 0.00 C ATOM 775 OD1 ASN A 53 0.678 -21.777 -12.227 1.00 0.00 O ATOM 776 ND2 ASN A 53 1.374 -21.674 -10.110 1.00 0.00 N ATOM 0 H ASN A 53 2.832 -20.256 -14.298 1.00 0.00 H new ATOM 0 HA ASN A 53 2.151 -19.007 -11.737 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.290 -21.626 -12.687 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.643 -21.112 -11.049 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.486 -22.034 -9.761 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.122 -21.442 -9.457 1.00 0.00 H new ATOM 783 N TRP A 54 4.564 -18.637 -10.774 1.00 0.00 N ATOM 784 CA TRP A 54 5.683 -17.800 -10.302 1.00 0.00 C ATOM 785 C TRP A 54 7.066 -18.256 -10.826 1.00 0.00 C ATOM 786 O TRP A 54 7.881 -17.425 -11.245 1.00 0.00 O ATOM 787 CB TRP A 54 5.649 -17.716 -8.755 1.00 0.00 C ATOM 788 CG TRP A 54 5.541 -19.042 -8.029 1.00 0.00 C ATOM 789 CD1 TRP A 54 6.563 -19.846 -7.619 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.332 -19.698 -7.615 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.071 -20.962 -7.001 1.00 0.00 N ATOM 792 CE2 TRP A 54 4.708 -20.893 -6.977 1.00 0.00 C ATOM 793 CE3 TRP A 54 2.970 -19.384 -7.717 1.00 0.00 C ATOM 794 CZ2 TRP A 54 3.774 -21.788 -6.457 1.00 0.00 C ATOM 795 CZ3 TRP A 54 2.043 -20.268 -7.195 1.00 0.00 C ATOM 796 CH2 TRP A 54 2.449 -21.459 -6.567 1.00 0.00 C ATOM 0 H TRP A 54 4.048 -19.084 -10.016 1.00 0.00 H new ATOM 0 HA TRP A 54 5.544 -16.803 -10.721 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.553 -17.210 -8.417 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.805 -17.092 -8.461 1.00 0.00 H new ATOM 0 HD1 TRP A 54 7.612 -19.632 -7.762 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.632 -21.723 -6.619 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.650 -18.469 -8.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 4.084 -22.708 -5.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.990 -20.040 -7.271 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.702 -22.127 -6.164 1.00 0.00 H new ATOM 807 N SER A 55 7.306 -19.572 -10.808 1.00 0.00 N ATOM 808 CA SER A 55 8.564 -20.171 -11.310 1.00 0.00 C ATOM 809 C SER A 55 8.485 -20.496 -12.818 1.00 0.00 C ATOM 810 O SER A 55 9.469 -20.960 -13.408 1.00 0.00 O ATOM 811 CB SER A 55 8.894 -21.445 -10.496 1.00 0.00 C ATOM 812 OG SER A 55 9.030 -21.147 -9.117 1.00 0.00 O ATOM 0 H SER A 55 6.641 -20.256 -10.448 1.00 0.00 H new ATOM 0 HA SER A 55 9.362 -19.440 -11.181 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.105 -22.184 -10.636 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.817 -21.889 -10.868 1.00 0.00 H new ATOM 0 HG SER A 55 8.159 -20.886 -8.751 1.00 0.00 H new ATOM 818 N GLY A 56 7.315 -20.241 -13.429 1.00 0.00 N ATOM 819 CA GLY A 56 7.068 -20.560 -14.841 1.00 0.00 C ATOM 820 C GLY A 56 6.797 -22.044 -15.081 1.00 0.00 C ATOM 821 O GLY A 56 6.769 -22.493 -16.228 1.00 0.00 O ATOM 0 H GLY A 56 6.519 -19.810 -12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.216 -19.979 -15.195 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.931 -20.254 -15.433 1.00 0.00 H new ATOM 825 N ARG A 57 6.575 -22.791 -13.980 1.00 0.00 N ATOM 826 CA ARG A 57 6.356 -24.254 -13.998 1.00 0.00 C ATOM 827 C ARG A 57 5.083 -24.620 -14.783 1.00 0.00 C ATOM 828 O ARG A 57 5.056 -25.608 -15.525 1.00 0.00 O ATOM 829 CB ARG A 57 6.285 -24.781 -12.540 1.00 0.00 C ATOM 830 CG ARG A 57 6.065 -26.308 -12.400 1.00 0.00 C ATOM 831 CD ARG A 57 6.143 -26.789 -10.941 1.00 0.00 C ATOM 832 NE ARG A 57 5.889 -28.237 -10.820 1.00 0.00 N ATOM 833 CZ ARG A 57 5.979 -28.959 -9.688 1.00 0.00 C ATOM 834 NH1 ARG A 57 6.372 -28.404 -8.545 1.00 0.00 N ATOM 835 NH2 ARG A 57 5.681 -30.248 -9.720 1.00 0.00 N ATOM 0 H ARG A 57 6.542 -22.392 -13.042 1.00 0.00 H new ATOM 0 HA ARG A 57 7.193 -24.730 -14.509 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.211 -24.515 -12.029 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.476 -24.265 -12.023 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.091 -26.570 -12.813 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.814 -26.834 -12.992 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.129 -26.559 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.416 -26.242 -10.340 1.00 0.00 H new ATOM 0 HE ARG A 57 5.622 -28.735 -11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.612 -27.413 -8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.433 -28.969 -7.698 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.388 -30.682 -10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.745 -30.807 -8.870 1.00 0.00 H new ATOM 849 N ARG A 58 4.037 -23.803 -14.610 1.00 0.00 N ATOM 850 CA ARG A 58 2.747 -23.985 -15.299 1.00 0.00 C ATOM 851 C ARG A 58 2.488 -22.799 -16.228 1.00 0.00 C ATOM 852 O ARG A 58 2.701 -21.648 -15.832 1.00 0.00 O ATOM 853 CB ARG A 58 1.595 -24.094 -14.278 1.00 0.00 C ATOM 854 CG ARG A 58 1.791 -25.157 -13.181 1.00 0.00 C ATOM 855 CD ARG A 58 0.611 -25.201 -12.202 1.00 0.00 C ATOM 856 NE ARG A 58 0.849 -26.154 -11.109 1.00 0.00 N ATOM 857 CZ ARG A 58 -0.033 -26.480 -10.165 1.00 0.00 C ATOM 858 NH1 ARG A 58 -1.263 -25.973 -10.172 1.00 0.00 N ATOM 859 NH2 ARG A 58 0.322 -27.318 -9.203 1.00 0.00 N ATOM 0 H ARG A 58 4.058 -22.995 -13.988 1.00 0.00 H new ATOM 0 HA ARG A 58 2.792 -24.907 -15.879 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.460 -23.123 -13.801 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.673 -24.316 -14.816 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.914 -26.136 -13.644 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.709 -24.946 -12.632 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.444 -24.207 -11.788 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.296 -25.480 -12.738 1.00 0.00 H new ATOM 0 HE ARG A 58 1.764 -26.603 -11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.543 -25.324 -10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.926 -26.233 -9.442 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.264 -27.708 -9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.347 -27.573 -8.476 1.00 0.00 H new ATOM 873 N THR A 59 2.044 -23.088 -17.454 1.00 0.00 N ATOM 874 CA THR A 59 1.556 -22.081 -18.398 1.00 0.00 C ATOM 875 C THR A 59 0.137 -22.477 -18.854 1.00 0.00 C ATOM 876 O THR A 59 -0.102 -23.622 -19.267 1.00 0.00 O ATOM 877 CB THR A 59 2.513 -21.928 -19.631 1.00 0.00 C ATOM 878 OG1 THR A 59 2.762 -23.210 -20.235 1.00 0.00 O ATOM 879 CG2 THR A 59 3.855 -21.271 -19.251 1.00 0.00 C ATOM 0 H THR A 59 2.013 -24.039 -17.823 1.00 0.00 H new ATOM 0 HA THR A 59 1.529 -21.113 -17.898 1.00 0.00 H new ATOM 0 HB THR A 59 2.009 -21.274 -20.343 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.359 -23.099 -21.004 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.483 -21.187 -20.138 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.671 -20.278 -18.841 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.361 -21.883 -18.505 1.00 0.00 H new ATOM 887 N TYR A 60 -0.781 -21.519 -18.760 1.00 0.00 N ATOM 888 CA TYR A 60 -2.202 -21.667 -19.092 1.00 0.00 C ATOM 889 C TYR A 60 -2.479 -20.883 -20.374 1.00 0.00 C ATOM 890 O TYR A 60 -1.917 -19.801 -20.565 1.00 0.00 O ATOM 891 CB TYR A 60 -3.082 -21.119 -17.935 1.00 0.00 C ATOM 892 CG TYR A 60 -2.869 -21.813 -16.584 1.00 0.00 C ATOM 893 CD1 TYR A 60 -1.813 -21.455 -15.743 1.00 0.00 C ATOM 894 CD2 TYR A 60 -3.727 -22.827 -16.156 1.00 0.00 C ATOM 895 CE1 TYR A 60 -1.621 -22.083 -14.529 1.00 0.00 C ATOM 896 CE2 TYR A 60 -3.540 -23.453 -14.945 1.00 0.00 C ATOM 897 CZ TYR A 60 -2.487 -23.084 -14.134 1.00 0.00 C ATOM 898 OH TYR A 60 -2.300 -23.726 -12.923 1.00 0.00 O ATOM 0 H TYR A 60 -0.550 -20.579 -18.438 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.443 -22.720 -19.236 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.881 -20.054 -17.817 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.130 -21.216 -18.217 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.134 -20.672 -16.048 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.552 -23.125 -16.786 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.799 -21.793 -13.892 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.217 -24.233 -14.630 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.998 -24.402 -12.800 1.00 0.00 H new ATOM 908 N TYR A 61 -3.329 -21.434 -21.252 1.00 0.00 N ATOM 909 CA TYR A 61 -3.663 -20.820 -22.548 1.00 0.00 C ATOM 910 C TYR A 61 -5.149 -21.024 -22.855 1.00 0.00 C ATOM 911 O TYR A 61 -5.734 -22.045 -22.476 1.00 0.00 O ATOM 912 CB TYR A 61 -2.830 -21.452 -23.695 1.00 0.00 C ATOM 913 CG TYR A 61 -1.305 -21.272 -23.582 1.00 0.00 C ATOM 914 CD1 TYR A 61 -0.495 -22.251 -22.991 1.00 0.00 C ATOM 915 CD2 TYR A 61 -0.677 -20.112 -24.050 1.00 0.00 C ATOM 916 CE1 TYR A 61 0.871 -22.082 -22.881 1.00 0.00 C ATOM 917 CE2 TYR A 61 0.690 -19.949 -23.943 1.00 0.00 C ATOM 918 CZ TYR A 61 1.459 -20.932 -23.353 1.00 0.00 C ATOM 919 OH TYR A 61 2.825 -20.759 -23.232 1.00 0.00 O ATOM 0 H TYR A 61 -3.806 -22.320 -21.084 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.433 -19.757 -22.482 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.051 -22.519 -23.736 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.160 -21.022 -24.640 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.948 -23.156 -22.614 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.271 -19.332 -24.502 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.476 -22.851 -22.425 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.158 -19.052 -24.321 1.00 0.00 H new ATOM 0 HH TYR A 61 3.272 -21.120 -24.026 1.00 0.00 H new ATOM 929 N ALA A 62 -5.753 -20.039 -23.522 1.00 0.00 N ATOM 930 CA ALA A 62 -7.050 -20.202 -24.188 1.00 0.00 C ATOM 931 C ALA A 62 -6.837 -21.039 -25.468 1.00 0.00 C ATOM 932 O ALA A 62 -5.761 -20.967 -26.067 1.00 0.00 O ATOM 933 CB ALA A 62 -7.660 -18.824 -24.519 1.00 0.00 C ATOM 0 H ALA A 62 -5.357 -19.104 -23.617 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.749 -20.718 -23.530 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.622 -18.961 -25.013 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.802 -18.258 -23.598 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.987 -18.278 -25.180 1.00 0.00 H new ATOM 939 N ASP A 63 -7.868 -21.786 -25.894 1.00 0.00 N ATOM 940 CA ASP A 63 -7.793 -22.742 -27.038 1.00 0.00 C ATOM 941 C ASP A 63 -7.234 -22.096 -28.330 1.00 0.00 C ATOM 942 O ASP A 63 -6.541 -22.753 -29.126 1.00 0.00 O ATOM 943 CB ASP A 63 -9.203 -23.321 -27.316 1.00 0.00 C ATOM 944 CG ASP A 63 -10.228 -22.249 -27.758 1.00 0.00 C ATOM 945 OD1 ASP A 63 -10.486 -22.117 -28.978 1.00 0.00 O ATOM 946 OD2 ASP A 63 -10.726 -21.506 -26.887 1.00 0.00 O ATOM 0 H ASP A 63 -8.790 -21.752 -25.458 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.100 -23.533 -26.752 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.129 -24.084 -28.091 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.569 -23.815 -26.416 1.00 0.00 H new ATOM 951 N SER A 64 -7.556 -20.805 -28.504 1.00 0.00 N ATOM 952 CA SER A 64 -7.181 -20.013 -29.685 1.00 0.00 C ATOM 953 C SER A 64 -5.697 -19.617 -29.637 1.00 0.00 C ATOM 954 O SER A 64 -4.992 -19.706 -30.642 1.00 0.00 O ATOM 955 CB SER A 64 -8.081 -18.761 -29.767 1.00 0.00 C ATOM 956 OG SER A 64 -9.451 -19.134 -29.709 1.00 0.00 O ATOM 0 H SER A 64 -8.092 -20.274 -27.818 1.00 0.00 H new ATOM 0 HA SER A 64 -7.327 -20.619 -30.579 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.847 -18.082 -28.947 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.883 -18.222 -30.694 1.00 0.00 H new ATOM 0 HG SER A 64 -10.011 -18.331 -29.760 1.00 0.00 H new ATOM 962 N VAL A 65 -5.232 -19.218 -28.443 1.00 0.00 N ATOM 963 CA VAL A 65 -3.862 -18.708 -28.234 1.00 0.00 C ATOM 964 C VAL A 65 -2.894 -19.848 -27.834 1.00 0.00 C ATOM 965 O VAL A 65 -1.688 -19.629 -27.702 1.00 0.00 O ATOM 966 CB VAL A 65 -3.846 -17.560 -27.158 1.00 0.00 C ATOM 967 CG1 VAL A 65 -4.898 -16.468 -27.491 1.00 0.00 C ATOM 968 CG2 VAL A 65 -4.019 -18.102 -25.717 1.00 0.00 C ATOM 0 H VAL A 65 -5.794 -19.239 -27.592 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.517 -18.292 -29.180 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.860 -17.096 -27.197 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.865 -15.687 -26.731 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.676 -16.035 -28.466 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.892 -16.914 -27.510 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.001 -17.271 -25.011 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.972 -18.626 -25.637 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.206 -18.791 -25.487 1.00 0.00 H new ATOM 978 N LYS A 66 -3.447 -21.060 -27.646 1.00 0.00 N ATOM 979 CA LYS A 66 -2.679 -22.254 -27.259 1.00 0.00 C ATOM 980 C LYS A 66 -1.726 -22.679 -28.390 1.00 0.00 C ATOM 981 O LYS A 66 -2.146 -22.778 -29.551 1.00 0.00 O ATOM 982 CB LYS A 66 -3.654 -23.416 -26.919 1.00 0.00 C ATOM 983 CG LYS A 66 -2.977 -24.748 -26.505 1.00 0.00 C ATOM 984 CD LYS A 66 -3.993 -25.891 -26.282 1.00 0.00 C ATOM 985 CE LYS A 66 -4.851 -26.187 -27.532 1.00 0.00 C ATOM 986 NZ LYS A 66 -5.776 -27.324 -27.315 1.00 0.00 N ATOM 0 H LYS A 66 -4.445 -21.238 -27.759 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.081 -22.014 -26.380 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.309 -23.094 -26.110 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.287 -23.603 -27.787 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.267 -25.045 -27.277 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.406 -24.591 -25.590 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.457 -26.795 -25.993 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.649 -25.630 -25.451 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.425 -25.299 -27.796 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.198 -26.407 -28.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.332 -27.488 -28.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.228 -28.179 -27.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.417 -27.104 -26.526 1.00 0.00 H new ATOM 1000 N GLY A 67 -0.441 -22.877 -28.039 1.00 0.00 N ATOM 1001 CA GLY A 67 0.589 -23.362 -28.968 1.00 0.00 C ATOM 1002 C GLY A 67 1.251 -22.258 -29.789 1.00 0.00 C ATOM 1003 O GLY A 67 2.399 -22.414 -30.220 1.00 0.00 O ATOM 0 H GLY A 67 -0.090 -22.703 -27.097 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.356 -23.889 -28.401 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.140 -24.087 -29.647 1.00 0.00 H new ATOM 1007 N ARG A 68 0.534 -21.136 -29.992 1.00 0.00 N ATOM 1008 CA ARG A 68 1.017 -19.992 -30.795 1.00 0.00 C ATOM 1009 C ARG A 68 1.501 -18.840 -29.884 1.00 0.00 C ATOM 1010 O ARG A 68 2.319 -18.019 -30.303 1.00 0.00 O ATOM 1011 CB ARG A 68 -0.091 -19.527 -31.781 1.00 0.00 C ATOM 1012 CG ARG A 68 -1.361 -18.955 -31.115 1.00 0.00 C ATOM 1013 CD ARG A 68 -2.420 -18.487 -32.133 1.00 0.00 C ATOM 1014 NE ARG A 68 -3.010 -19.615 -32.884 1.00 0.00 N ATOM 1015 CZ ARG A 68 -3.770 -19.504 -33.979 1.00 0.00 C ATOM 1016 NH1 ARG A 68 -4.031 -18.321 -34.516 1.00 0.00 N ATOM 1017 NH2 ARG A 68 -4.277 -20.592 -34.529 1.00 0.00 N ATOM 0 H ARG A 68 -0.399 -20.995 -29.604 1.00 0.00 H new ATOM 0 HA ARG A 68 1.877 -20.312 -31.384 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.327 -18.768 -32.442 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.377 -20.372 -32.407 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.799 -19.715 -30.468 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.083 -18.116 -30.477 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.210 -17.948 -31.611 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.964 -17.786 -32.832 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.822 -20.556 -32.539 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.650 -17.474 -34.094 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.613 -18.257 -35.351 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.088 -21.506 -34.119 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.858 -20.518 -35.364 1.00 0.00 H new ATOM 1031 N PHE A 69 0.984 -18.779 -28.641 1.00 0.00 N ATOM 1032 CA PHE A 69 1.480 -17.842 -27.608 1.00 0.00 C ATOM 1033 C PHE A 69 2.464 -18.572 -26.679 1.00 0.00 C ATOM 1034 O PHE A 69 2.500 -19.811 -26.635 1.00 0.00 O ATOM 1035 CB PHE A 69 0.307 -17.230 -26.770 1.00 0.00 C ATOM 1036 CG PHE A 69 -0.514 -16.124 -27.445 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -1.055 -15.076 -26.686 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -0.765 -16.124 -28.816 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -1.816 -14.083 -27.277 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -1.522 -15.130 -29.405 1.00 0.00 C ATOM 1041 CZ PHE A 69 -2.047 -14.110 -28.633 1.00 0.00 C ATOM 0 H PHE A 69 0.217 -19.372 -28.324 1.00 0.00 H new ATOM 0 HA PHE A 69 1.989 -17.021 -28.113 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.371 -18.037 -26.493 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.722 -16.830 -25.845 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.874 -15.044 -25.622 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.360 -16.916 -29.429 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.228 -13.287 -26.674 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.704 -15.150 -30.469 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.639 -13.334 -29.095 1.00 0.00 H new ATOM 1051 N THR A 70 3.272 -17.783 -25.962 1.00 0.00 N ATOM 1052 CA THR A 70 4.169 -18.254 -24.898 1.00 0.00 C ATOM 1053 C THR A 70 4.303 -17.149 -23.841 1.00 0.00 C ATOM 1054 O THR A 70 4.460 -15.972 -24.196 1.00 0.00 O ATOM 1055 CB THR A 70 5.591 -18.632 -25.456 1.00 0.00 C ATOM 1056 OG1 THR A 70 5.479 -19.688 -26.427 1.00 0.00 O ATOM 1057 CG2 THR A 70 6.555 -19.083 -24.339 1.00 0.00 C ATOM 0 H THR A 70 3.322 -16.775 -26.108 1.00 0.00 H new ATOM 0 HA THR A 70 3.741 -19.155 -24.459 1.00 0.00 H new ATOM 0 HB THR A 70 5.999 -17.733 -25.918 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.369 -19.914 -26.769 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.523 -19.333 -24.773 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.679 -18.276 -23.617 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.145 -19.959 -23.837 1.00 0.00 H new ATOM 1065 N ILE A 71 4.229 -17.523 -22.542 1.00 0.00 N ATOM 1066 CA ILE A 71 4.482 -16.584 -21.433 1.00 0.00 C ATOM 1067 C ILE A 71 5.904 -16.825 -20.908 1.00 0.00 C ATOM 1068 O ILE A 71 6.349 -17.972 -20.803 1.00 0.00 O ATOM 1069 CB ILE A 71 3.473 -16.683 -20.210 1.00 0.00 C ATOM 1070 CG1 ILE A 71 1.983 -16.900 -20.653 1.00 0.00 C ATOM 1071 CG2 ILE A 71 3.591 -15.409 -19.330 1.00 0.00 C ATOM 1072 CD1 ILE A 71 1.599 -18.345 -20.897 1.00 0.00 C ATOM 0 H ILE A 71 3.996 -18.469 -22.240 1.00 0.00 H new ATOM 0 HA ILE A 71 4.343 -15.588 -21.852 1.00 0.00 H new ATOM 0 HB ILE A 71 3.755 -17.565 -19.635 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.327 -16.488 -19.886 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.803 -16.331 -21.565 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.898 -15.480 -18.492 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.609 -15.321 -18.952 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.349 -14.530 -19.928 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.553 -18.398 -21.199 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.226 -18.760 -21.687 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.742 -18.919 -19.981 1.00 0.00 H new ATOM 1084 N SER A 72 6.608 -15.734 -20.602 1.00 0.00 N ATOM 1085 CA SER A 72 7.954 -15.758 -20.025 1.00 0.00 C ATOM 1086 C SER A 72 8.083 -14.621 -19.002 1.00 0.00 C ATOM 1087 O SER A 72 7.427 -13.580 -19.138 1.00 0.00 O ATOM 1088 CB SER A 72 9.011 -15.611 -21.143 1.00 0.00 C ATOM 1089 OG SER A 72 8.878 -16.646 -22.106 1.00 0.00 O ATOM 0 H SER A 72 6.252 -14.790 -20.751 1.00 0.00 H new ATOM 0 HA SER A 72 8.123 -16.710 -19.521 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.900 -14.641 -21.628 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.011 -15.638 -20.710 1.00 0.00 H new ATOM 0 HG SER A 72 9.647 -16.628 -22.713 1.00 0.00 H new ATOM 1095 N ARG A 73 8.901 -14.838 -17.966 1.00 0.00 N ATOM 1096 CA ARG A 73 9.182 -13.824 -16.946 1.00 0.00 C ATOM 1097 C ARG A 73 10.604 -14.040 -16.411 1.00 0.00 C ATOM 1098 O ARG A 73 11.027 -15.183 -16.184 1.00 0.00 O ATOM 1099 CB ARG A 73 8.117 -13.901 -15.808 1.00 0.00 C ATOM 1100 CG ARG A 73 8.202 -15.158 -14.900 1.00 0.00 C ATOM 1101 CD ARG A 73 6.891 -15.463 -14.145 1.00 0.00 C ATOM 1102 NE ARG A 73 6.263 -14.249 -13.574 1.00 0.00 N ATOM 1103 CZ ARG A 73 6.043 -14.015 -12.268 1.00 0.00 C ATOM 1104 NH1 ARG A 73 6.567 -14.793 -11.325 1.00 0.00 N ATOM 1105 NH2 ARG A 73 5.323 -12.963 -11.911 1.00 0.00 N ATOM 0 H ARG A 73 9.386 -15.722 -17.812 1.00 0.00 H new ATOM 0 HA ARG A 73 9.123 -12.825 -17.378 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.214 -13.014 -15.182 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.125 -13.866 -16.259 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.469 -16.020 -15.511 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.005 -15.020 -14.176 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.189 -15.944 -14.825 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.095 -16.173 -13.343 1.00 0.00 H new ATOM 0 HE ARG A 73 5.971 -13.525 -14.231 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.150 -15.588 -11.586 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.385 -14.595 -10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.942 -12.340 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.149 -12.775 -10.924 1.00 0.00 H new ATOM 1119 N ASP A 74 11.354 -12.946 -16.244 1.00 0.00 N ATOM 1120 CA ASP A 74 12.712 -12.979 -15.691 1.00 0.00 C ATOM 1121 C ASP A 74 12.705 -12.179 -14.390 1.00 0.00 C ATOM 1122 O ASP A 74 12.437 -10.976 -14.396 1.00 0.00 O ATOM 1123 CB ASP A 74 13.745 -12.404 -16.700 1.00 0.00 C ATOM 1124 CG ASP A 74 15.192 -12.789 -16.339 1.00 0.00 C ATOM 1125 OD1 ASP A 74 15.774 -13.662 -17.013 1.00 0.00 O ATOM 1126 OD2 ASP A 74 15.740 -12.260 -15.353 1.00 0.00 O ATOM 0 H ASP A 74 11.035 -12.009 -16.490 1.00 0.00 H new ATOM 0 HA ASP A 74 13.011 -14.009 -15.495 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.513 -12.768 -17.701 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.657 -11.318 -16.728 1.00 0.00 H new ATOM 1131 N ASN A 75 13.003 -12.859 -13.283 1.00 0.00 N ATOM 1132 CA ASN A 75 12.878 -12.304 -11.926 1.00 0.00 C ATOM 1133 C ASN A 75 14.135 -11.509 -11.510 1.00 0.00 C ATOM 1134 O ASN A 75 14.103 -10.760 -10.523 1.00 0.00 O ATOM 1135 CB ASN A 75 12.602 -13.458 -10.923 1.00 0.00 C ATOM 1136 CG ASN A 75 11.335 -14.277 -11.249 1.00 0.00 C ATOM 1137 OD1 ASN A 75 10.385 -13.771 -11.851 1.00 0.00 O ATOM 1138 ND2 ASN A 75 11.306 -15.538 -10.816 1.00 0.00 N ATOM 0 H ASN A 75 13.342 -13.821 -13.298 1.00 0.00 H new ATOM 0 HA ASN A 75 12.043 -11.603 -11.918 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.462 -14.127 -10.908 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.506 -13.041 -9.921 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.481 -16.115 -10.980 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.109 -15.926 -10.321 1.00 0.00 H new ATOM 1145 N ALA A 76 15.237 -11.682 -12.267 1.00 0.00 N ATOM 1146 CA ALA A 76 16.511 -10.971 -12.020 1.00 0.00 C ATOM 1147 C ALA A 76 16.504 -9.606 -12.726 1.00 0.00 C ATOM 1148 O ALA A 76 16.848 -8.585 -12.129 1.00 0.00 O ATOM 1149 CB ALA A 76 17.695 -11.829 -12.491 1.00 0.00 C ATOM 0 H ALA A 76 15.271 -12.316 -13.065 1.00 0.00 H new ATOM 0 HA ALA A 76 16.620 -10.798 -10.949 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.627 -11.296 -12.304 1.00 0.00 H new ATOM 0 HB2 ALA A 76 17.701 -12.772 -11.945 1.00 0.00 H new ATOM 0 HB3 ALA A 76 17.598 -12.028 -13.558 1.00 0.00 H new ATOM 1155 N LYS A 77 16.068 -9.613 -13.998 1.00 0.00 N ATOM 1156 CA LYS A 77 15.901 -8.396 -14.820 1.00 0.00 C ATOM 1157 C LYS A 77 14.623 -7.651 -14.420 1.00 0.00 C ATOM 1158 O LYS A 77 14.474 -6.455 -14.716 1.00 0.00 O ATOM 1159 CB LYS A 77 15.829 -8.763 -16.330 1.00 0.00 C ATOM 1160 CG LYS A 77 17.067 -9.502 -16.875 1.00 0.00 C ATOM 1161 CD LYS A 77 18.364 -8.687 -16.703 1.00 0.00 C ATOM 1162 CE LYS A 77 19.614 -9.444 -17.172 1.00 0.00 C ATOM 1163 NZ LYS A 77 20.839 -8.645 -16.959 1.00 0.00 N ATOM 0 H LYS A 77 15.819 -10.470 -14.491 1.00 0.00 H new ATOM 0 HA LYS A 77 16.763 -7.752 -14.647 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.949 -9.385 -16.497 1.00 0.00 H new ATOM 0 HB3 LYS A 77 15.687 -7.848 -16.905 1.00 0.00 H new ATOM 0 HG2 LYS A 77 17.171 -10.458 -16.361 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.918 -9.723 -17.932 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.278 -7.756 -17.263 1.00 0.00 H new ATOM 0 HD3 LYS A 77 18.481 -8.418 -15.653 1.00 0.00 H new ATOM 0 HE2 LYS A 77 19.694 -10.387 -16.632 1.00 0.00 H new ATOM 0 HE3 LYS A 77 19.517 -9.690 -18.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 21.666 -9.184 -17.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 20.771 -7.756 -17.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 20.943 -8.432 -15.946 1.00 0.00 H new ATOM 1177 N ASN A 78 13.710 -8.397 -13.761 1.00 0.00 N ATOM 1178 CA ASN A 78 12.378 -7.922 -13.366 1.00 0.00 C ATOM 1179 C ASN A 78 11.562 -7.556 -14.622 1.00 0.00 C ATOM 1180 O ASN A 78 10.827 -6.576 -14.631 1.00 0.00 O ATOM 1181 CB ASN A 78 12.453 -6.728 -12.350 1.00 0.00 C ATOM 1182 CG ASN A 78 12.983 -7.088 -10.956 1.00 0.00 C ATOM 1183 OD1 ASN A 78 13.992 -7.944 -10.874 1.00 0.00 O flip ATOM 1184 ND2 ASN A 78 12.514 -6.551 -9.946 1.00 0.00 N flip ATOM 0 H ASN A 78 13.887 -9.363 -13.486 1.00 0.00 H new ATOM 0 HA ASN A 78 11.868 -8.731 -12.843 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.089 -5.951 -12.774 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.456 -6.300 -12.243 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.737 -5.895 -10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.904 -6.764 -9.028 1.00 0.00 H new ATOM 1191 N THR A 79 11.696 -8.369 -15.686 1.00 0.00 N ATOM 1192 CA THR A 79 11.074 -8.087 -16.994 1.00 0.00 C ATOM 1193 C THR A 79 10.290 -9.312 -17.511 1.00 0.00 C ATOM 1194 O THR A 79 10.811 -10.423 -17.535 1.00 0.00 O ATOM 1195 CB THR A 79 12.154 -7.675 -18.053 1.00 0.00 C ATOM 1196 OG1 THR A 79 13.053 -6.712 -17.482 1.00 0.00 O ATOM 1197 CG2 THR A 79 11.512 -7.071 -19.315 1.00 0.00 C ATOM 0 H THR A 79 12.235 -9.235 -15.665 1.00 0.00 H new ATOM 0 HA THR A 79 10.382 -7.257 -16.851 1.00 0.00 H new ATOM 0 HB THR A 79 12.695 -8.577 -18.339 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.727 -6.459 -18.147 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.293 -6.798 -20.025 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.847 -7.804 -19.771 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.942 -6.183 -19.044 1.00 0.00 H new ATOM 1205 N VAL A 80 9.050 -9.065 -17.941 1.00 0.00 N ATOM 1206 CA VAL A 80 8.138 -10.061 -18.520 1.00 0.00 C ATOM 1207 C VAL A 80 8.181 -9.979 -20.060 1.00 0.00 C ATOM 1208 O VAL A 80 8.423 -8.908 -20.622 1.00 0.00 O ATOM 1209 CB VAL A 80 6.674 -9.803 -18.001 1.00 0.00 C ATOM 1210 CG1 VAL A 80 5.637 -10.725 -18.685 1.00 0.00 C ATOM 1211 CG2 VAL A 80 6.614 -9.934 -16.454 1.00 0.00 C ATOM 0 H VAL A 80 8.637 -8.134 -17.895 1.00 0.00 H new ATOM 0 HA VAL A 80 8.452 -11.059 -18.214 1.00 0.00 H new ATOM 0 HB VAL A 80 6.407 -8.782 -18.272 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.643 -10.508 -18.293 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.649 -10.551 -19.761 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.887 -11.767 -18.484 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.595 -9.753 -16.113 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.921 -10.938 -16.162 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.284 -9.203 -16.001 1.00 0.00 H new ATOM 1221 N TYR A 81 7.981 -11.127 -20.726 1.00 0.00 N ATOM 1222 CA TYR A 81 7.898 -11.225 -22.190 1.00 0.00 C ATOM 1223 C TYR A 81 6.696 -12.110 -22.568 1.00 0.00 C ATOM 1224 O TYR A 81 6.416 -13.101 -21.883 1.00 0.00 O ATOM 1225 CB TYR A 81 9.213 -11.809 -22.772 1.00 0.00 C ATOM 1226 CG TYR A 81 10.469 -10.977 -22.459 1.00 0.00 C ATOM 1227 CD1 TYR A 81 11.290 -11.282 -21.365 1.00 0.00 C ATOM 1228 CD2 TYR A 81 10.817 -9.871 -23.243 1.00 0.00 C ATOM 1229 CE1 TYR A 81 12.402 -10.519 -21.069 1.00 0.00 C ATOM 1230 CE2 TYR A 81 11.932 -9.112 -22.952 1.00 0.00 C ATOM 1231 CZ TYR A 81 12.718 -9.433 -21.865 1.00 0.00 C ATOM 1232 OH TYR A 81 13.822 -8.660 -21.567 1.00 0.00 O ATOM 0 H TYR A 81 7.871 -12.025 -20.255 1.00 0.00 H new ATOM 0 HA TYR A 81 7.760 -10.230 -22.613 1.00 0.00 H new ATOM 0 HB2 TYR A 81 9.353 -12.817 -22.382 1.00 0.00 H new ATOM 0 HB3 TYR A 81 9.110 -11.897 -23.854 1.00 0.00 H new ATOM 0 HD1 TYR A 81 11.048 -12.130 -20.742 1.00 0.00 H new ATOM 0 HD2 TYR A 81 10.202 -9.607 -24.091 1.00 0.00 H new ATOM 0 HE1 TYR A 81 13.022 -10.769 -20.220 1.00 0.00 H new ATOM 0 HE2 TYR A 81 12.189 -8.268 -23.575 1.00 0.00 H new ATOM 0 HH TYR A 81 13.903 -7.938 -22.225 1.00 0.00 H new ATOM 1242 N LEU A 82 5.981 -11.743 -23.642 1.00 0.00 N ATOM 1243 CA LEU A 82 4.825 -12.501 -24.146 1.00 0.00 C ATOM 1244 C LEU A 82 4.983 -12.641 -25.672 1.00 0.00 C ATOM 1245 O LEU A 82 4.797 -11.671 -26.411 1.00 0.00 O ATOM 1246 CB LEU A 82 3.480 -11.787 -23.767 1.00 0.00 C ATOM 1247 CG LEU A 82 2.196 -12.681 -23.632 1.00 0.00 C ATOM 1248 CD1 LEU A 82 1.792 -13.367 -24.944 1.00 0.00 C ATOM 1249 CD2 LEU A 82 2.370 -13.711 -22.512 1.00 0.00 C ATOM 0 H LEU A 82 6.189 -10.907 -24.189 1.00 0.00 H new ATOM 0 HA LEU A 82 4.790 -13.490 -23.689 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.630 -11.269 -22.820 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.281 -11.024 -24.520 1.00 0.00 H new ATOM 0 HG LEU A 82 1.378 -12.007 -23.375 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.898 -13.969 -24.780 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.586 -12.611 -25.702 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.604 -14.010 -25.284 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.469 -14.320 -22.435 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.223 -14.351 -22.736 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.541 -13.196 -21.567 1.00 0.00 H new ATOM 1261 N GLN A 83 5.357 -13.845 -26.119 1.00 0.00 N ATOM 1262 CA GLN A 83 5.573 -14.154 -27.540 1.00 0.00 C ATOM 1263 C GLN A 83 4.224 -14.507 -28.188 1.00 0.00 C ATOM 1264 O GLN A 83 3.670 -15.571 -27.912 1.00 0.00 O ATOM 1265 CB GLN A 83 6.594 -15.329 -27.698 1.00 0.00 C ATOM 1266 CG GLN A 83 8.048 -15.044 -27.240 1.00 0.00 C ATOM 1267 CD GLN A 83 8.204 -14.771 -25.739 1.00 0.00 C ATOM 1268 OE1 GLN A 83 8.177 -13.621 -25.302 1.00 0.00 O ATOM 1269 NE2 GLN A 83 8.312 -15.824 -24.939 1.00 0.00 N ATOM 0 H GLN A 83 5.520 -14.640 -25.501 1.00 0.00 H new ATOM 0 HA GLN A 83 5.993 -13.283 -28.042 1.00 0.00 H new ATOM 0 HB2 GLN A 83 6.220 -16.185 -27.136 1.00 0.00 H new ATOM 0 HB3 GLN A 83 6.618 -15.623 -28.747 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.673 -15.896 -27.507 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.427 -14.185 -27.793 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.331 -16.764 -25.334 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.376 -15.693 -23.929 1.00 0.00 H new ATOM 1278 N MET A 84 3.676 -13.591 -29.006 1.00 0.00 N ATOM 1279 CA MET A 84 2.413 -13.823 -29.733 1.00 0.00 C ATOM 1280 C MET A 84 2.719 -14.164 -31.193 1.00 0.00 C ATOM 1281 O MET A 84 3.479 -13.448 -31.851 1.00 0.00 O ATOM 1282 CB MET A 84 1.495 -12.576 -29.663 1.00 0.00 C ATOM 1283 CG MET A 84 1.167 -12.108 -28.249 1.00 0.00 C ATOM 1284 SD MET A 84 -0.031 -10.754 -28.214 1.00 0.00 S ATOM 1285 CE MET A 84 -0.209 -10.498 -26.449 1.00 0.00 C ATOM 0 H MET A 84 4.091 -12.676 -29.182 1.00 0.00 H new ATOM 0 HA MET A 84 1.890 -14.656 -29.264 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.974 -11.758 -30.201 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.563 -12.797 -30.184 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.775 -12.948 -27.676 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.085 -11.787 -27.756 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.835 -9.624 -26.269 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.674 -11.375 -25.999 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.773 -10.339 -26.004 1.00 0.00 H new ATOM 1295 N ASN A 85 2.146 -15.272 -31.686 1.00 0.00 N ATOM 1296 CA ASN A 85 2.268 -15.690 -33.097 1.00 0.00 C ATOM 1297 C ASN A 85 0.860 -15.948 -33.654 1.00 0.00 C ATOM 1298 O ASN A 85 -0.009 -16.420 -32.913 1.00 0.00 O ATOM 1299 CB ASN A 85 3.139 -16.970 -33.225 1.00 0.00 C ATOM 1300 CG ASN A 85 4.564 -16.816 -32.677 1.00 0.00 C ATOM 1301 OD1 ASN A 85 5.169 -15.746 -32.760 1.00 0.00 O ATOM 1302 ND2 ASN A 85 5.105 -17.880 -32.103 1.00 0.00 N ATOM 0 H ASN A 85 1.583 -15.907 -31.119 1.00 0.00 H new ATOM 0 HA ASN A 85 2.757 -14.900 -33.666 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.645 -17.787 -32.698 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.194 -17.255 -34.276 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.047 -17.827 -31.715 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.580 -18.753 -32.049 1.00 0.00 H new ATOM 1309 N SER A 86 0.646 -15.616 -34.949 1.00 0.00 N ATOM 1310 CA SER A 86 -0.632 -15.837 -35.664 1.00 0.00 C ATOM 1311 C SER A 86 -1.818 -15.139 -34.960 1.00 0.00 C ATOM 1312 O SER A 86 -2.735 -15.791 -34.438 1.00 0.00 O ATOM 1313 CB SER A 86 -0.890 -17.354 -35.891 1.00 0.00 C ATOM 1314 OG SER A 86 0.150 -17.943 -36.659 1.00 0.00 O ATOM 0 H SER A 86 1.363 -15.183 -35.532 1.00 0.00 H new ATOM 0 HA SER A 86 -0.545 -15.373 -36.646 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.967 -17.860 -34.929 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.844 -17.491 -36.400 1.00 0.00 H new ATOM 0 HG SER A 86 -0.036 -18.897 -36.785 1.00 0.00 H new ATOM 1320 N LEU A 87 -1.754 -13.800 -34.928 1.00 0.00 N ATOM 1321 CA LEU A 87 -2.803 -12.954 -34.340 1.00 0.00 C ATOM 1322 C LEU A 87 -3.994 -12.838 -35.307 1.00 0.00 C ATOM 1323 O LEU A 87 -3.834 -12.395 -36.443 1.00 0.00 O ATOM 1324 CB LEU A 87 -2.226 -11.551 -33.992 1.00 0.00 C ATOM 1325 CG LEU A 87 -1.142 -11.537 -32.870 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -0.590 -10.124 -32.621 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.698 -12.151 -31.569 1.00 0.00 C ATOM 0 H LEU A 87 -0.970 -13.271 -35.311 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.158 -13.414 -33.418 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.796 -11.119 -34.895 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.048 -10.903 -33.688 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.308 -12.150 -33.213 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.162 -10.161 -31.832 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.137 -9.744 -33.537 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.403 -9.464 -32.317 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.927 -12.132 -30.799 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.560 -11.574 -31.234 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.001 -13.182 -31.754 1.00 0.00 H new ATOM 1339 N LYS A 88 -5.176 -13.268 -34.851 1.00 0.00 N ATOM 1340 CA LYS A 88 -6.428 -13.140 -35.615 1.00 0.00 C ATOM 1341 C LYS A 88 -6.878 -11.669 -35.579 1.00 0.00 C ATOM 1342 O LYS A 88 -6.553 -10.994 -34.620 1.00 0.00 O ATOM 1343 CB LYS A 88 -7.519 -14.038 -34.985 1.00 0.00 C ATOM 1344 CG LYS A 88 -7.137 -15.524 -34.820 1.00 0.00 C ATOM 1345 CD LYS A 88 -8.230 -16.328 -34.081 1.00 0.00 C ATOM 1346 CE LYS A 88 -9.584 -16.304 -34.817 1.00 0.00 C ATOM 1347 NZ LYS A 88 -10.676 -16.890 -34.007 1.00 0.00 N ATOM 0 H LYS A 88 -5.294 -13.715 -33.942 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.268 -13.454 -36.647 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.776 -13.635 -34.005 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.416 -13.977 -35.601 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.965 -15.965 -35.802 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.199 -15.598 -34.269 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.901 -17.361 -33.967 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.359 -15.922 -33.078 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.837 -15.275 -35.073 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.495 -16.853 -35.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.582 -16.760 -34.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.499 -17.906 -33.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.714 -16.417 -33.082 1.00 0.00 H new ATOM 1361 N PRO A 89 -7.630 -11.147 -36.603 1.00 0.00 N ATOM 1362 CA PRO A 89 -8.147 -9.741 -36.607 1.00 0.00 C ATOM 1363 C PRO A 89 -8.862 -9.304 -35.292 1.00 0.00 C ATOM 1364 O PRO A 89 -8.873 -8.114 -34.942 1.00 0.00 O ATOM 1365 CB PRO A 89 -9.126 -9.747 -37.800 1.00 0.00 C ATOM 1366 CG PRO A 89 -8.538 -10.755 -38.745 1.00 0.00 C ATOM 1367 CD PRO A 89 -7.991 -11.860 -37.866 1.00 0.00 C ATOM 0 HA PRO A 89 -7.333 -9.020 -36.686 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.132 -10.030 -37.490 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -9.200 -8.762 -38.261 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.293 -11.137 -39.432 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.750 -10.310 -39.353 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.733 -12.639 -37.690 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.124 -12.342 -38.318 1.00 0.00 H new ATOM 1375 N GLU A 90 -9.432 -10.285 -34.568 1.00 0.00 N ATOM 1376 CA GLU A 90 -10.152 -10.064 -33.288 1.00 0.00 C ATOM 1377 C GLU A 90 -9.198 -9.747 -32.109 1.00 0.00 C ATOM 1378 O GLU A 90 -9.621 -9.148 -31.118 1.00 0.00 O ATOM 1379 CB GLU A 90 -11.011 -11.310 -32.954 1.00 0.00 C ATOM 1380 CG GLU A 90 -10.200 -12.621 -32.811 1.00 0.00 C ATOM 1381 CD GLU A 90 -11.056 -13.878 -32.606 1.00 0.00 C ATOM 1382 OE1 GLU A 90 -12.045 -14.053 -33.348 1.00 0.00 O ATOM 1383 OE2 GLU A 90 -10.712 -14.726 -31.753 1.00 0.00 O ATOM 0 H GLU A 90 -9.409 -11.264 -34.853 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.790 -9.190 -33.422 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.551 -11.127 -32.025 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.759 -11.442 -33.736 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.588 -12.755 -33.703 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.516 -12.521 -31.968 1.00 0.00 H new ATOM 1390 N ASP A 91 -7.917 -10.157 -32.225 1.00 0.00 N ATOM 1391 CA ASP A 91 -6.871 -9.891 -31.199 1.00 0.00 C ATOM 1392 C ASP A 91 -6.542 -8.384 -31.071 1.00 0.00 C ATOM 1393 O ASP A 91 -5.754 -8.001 -30.194 1.00 0.00 O ATOM 1394 CB ASP A 91 -5.572 -10.692 -31.512 1.00 0.00 C ATOM 1395 CG ASP A 91 -5.732 -12.219 -31.371 1.00 0.00 C ATOM 1396 OD1 ASP A 91 -6.600 -12.803 -32.056 1.00 0.00 O ATOM 1397 OD2 ASP A 91 -4.988 -12.848 -30.582 1.00 0.00 O ATOM 0 H ASP A 91 -7.573 -10.682 -33.029 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.278 -10.223 -30.244 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.251 -10.462 -32.528 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.779 -10.356 -30.843 1.00 0.00 H new ATOM 1402 N THR A 92 -7.118 -7.537 -31.972 1.00 0.00 N ATOM 1403 CA THR A 92 -7.067 -6.073 -31.839 1.00 0.00 C ATOM 1404 C THR A 92 -7.781 -5.684 -30.533 1.00 0.00 C ATOM 1405 O THR A 92 -9.022 -5.633 -30.468 1.00 0.00 O ATOM 1406 CB THR A 92 -7.729 -5.350 -33.066 1.00 0.00 C ATOM 1407 OG1 THR A 92 -7.054 -5.728 -34.273 1.00 0.00 O ATOM 1408 CG2 THR A 92 -7.690 -3.817 -32.933 1.00 0.00 C ATOM 0 H THR A 92 -7.623 -7.858 -32.798 1.00 0.00 H new ATOM 0 HA THR A 92 -6.025 -5.754 -31.813 1.00 0.00 H new ATOM 0 HB THR A 92 -8.774 -5.660 -33.095 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.534 -6.469 -34.698 1.00 0.00 H new ATOM 0 HG21 THR A 92 -8.160 -3.364 -33.806 1.00 0.00 H new ATOM 0 HG22 THR A 92 -8.228 -3.516 -32.034 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.654 -3.484 -32.864 1.00 0.00 H new ATOM 1416 N ALA A 93 -6.968 -5.454 -29.496 1.00 0.00 N ATOM 1417 CA ALA A 93 -7.442 -5.274 -28.125 1.00 0.00 C ATOM 1418 C ALA A 93 -6.314 -4.785 -27.231 1.00 0.00 C ATOM 1419 O ALA A 93 -5.130 -4.943 -27.558 1.00 0.00 O ATOM 1420 CB ALA A 93 -8.034 -6.590 -27.571 1.00 0.00 C ATOM 0 H ALA A 93 -5.954 -5.388 -29.589 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.230 -4.521 -28.135 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.380 -6.432 -26.550 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.872 -6.903 -28.194 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.268 -7.365 -27.578 1.00 0.00 H new ATOM 1426 N VAL A 94 -6.685 -4.176 -26.098 1.00 0.00 N ATOM 1427 CA VAL A 94 -5.722 -3.809 -25.064 1.00 0.00 C ATOM 1428 C VAL A 94 -5.506 -5.010 -24.122 1.00 0.00 C ATOM 1429 O VAL A 94 -6.442 -5.484 -23.466 1.00 0.00 O ATOM 1430 CB VAL A 94 -6.145 -2.499 -24.286 1.00 0.00 C ATOM 1431 CG1 VAL A 94 -7.543 -2.614 -23.648 1.00 0.00 C ATOM 1432 CG2 VAL A 94 -5.073 -2.098 -23.242 1.00 0.00 C ATOM 0 H VAL A 94 -7.650 -3.928 -25.878 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.772 -3.565 -25.540 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.210 -1.700 -25.025 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.782 -1.687 -23.127 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.284 -2.795 -24.426 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.552 -3.442 -22.939 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.391 -1.194 -22.723 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.947 -2.906 -22.521 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.125 -1.912 -23.747 1.00 0.00 H new ATOM 1442 N TYR A 95 -4.276 -5.542 -24.145 1.00 0.00 N ATOM 1443 CA TYR A 95 -3.822 -6.597 -23.230 1.00 0.00 C ATOM 1444 C TYR A 95 -3.300 -5.945 -21.951 1.00 0.00 C ATOM 1445 O TYR A 95 -2.804 -4.824 -21.993 1.00 0.00 O ATOM 1446 CB TYR A 95 -2.708 -7.456 -23.885 1.00 0.00 C ATOM 1447 CG TYR A 95 -3.207 -8.434 -24.965 1.00 0.00 C ATOM 1448 CD1 TYR A 95 -3.535 -7.999 -26.251 1.00 0.00 C ATOM 1449 CD2 TYR A 95 -3.340 -9.802 -24.691 1.00 0.00 C ATOM 1450 CE1 TYR A 95 -3.972 -8.889 -27.220 1.00 0.00 C ATOM 1451 CE2 TYR A 95 -3.775 -10.687 -25.658 1.00 0.00 C ATOM 1452 CZ TYR A 95 -4.089 -10.231 -26.918 1.00 0.00 C ATOM 1453 OH TYR A 95 -4.533 -11.120 -27.876 1.00 0.00 O ATOM 0 H TYR A 95 -3.560 -5.247 -24.809 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.658 -7.256 -22.998 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.968 -6.791 -24.329 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.199 -8.024 -23.106 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.447 -6.951 -26.495 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.098 -10.171 -23.705 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.220 -8.533 -28.209 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.869 -11.737 -25.425 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.341 -12.036 -27.586 1.00 0.00 H new ATOM 1463 N ASN A 96 -3.423 -6.652 -20.826 1.00 0.00 N ATOM 1464 CA ASN A 96 -3.011 -6.149 -19.507 1.00 0.00 C ATOM 1465 C ASN A 96 -2.409 -7.303 -18.704 1.00 0.00 C ATOM 1466 O ASN A 96 -3.075 -8.326 -18.489 1.00 0.00 O ATOM 1467 CB ASN A 96 -4.221 -5.529 -18.758 1.00 0.00 C ATOM 1468 CG ASN A 96 -3.830 -4.870 -17.425 1.00 0.00 C ATOM 1469 OD1 ASN A 96 -3.787 -5.521 -16.375 1.00 0.00 O ATOM 1470 ND2 ASN A 96 -3.562 -3.569 -17.449 1.00 0.00 N ATOM 0 H ASN A 96 -3.813 -7.594 -20.800 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.263 -5.366 -19.631 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -4.696 -4.786 -19.399 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.961 -6.306 -18.569 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.313 -3.084 -16.587 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.605 -3.056 -18.329 1.00 0.00 H new ATOM 1477 N CYS A 97 -1.149 -7.138 -18.284 1.00 0.00 N ATOM 1478 CA CYS A 97 -0.479 -8.077 -17.387 1.00 0.00 C ATOM 1479 C CYS A 97 -0.847 -7.697 -15.953 1.00 0.00 C ATOM 1480 O CYS A 97 -0.376 -6.693 -15.414 1.00 0.00 O ATOM 1481 CB CYS A 97 1.055 -8.046 -17.589 1.00 0.00 C ATOM 1482 SG CYS A 97 1.833 -6.463 -17.214 1.00 0.00 S ATOM 0 H CYS A 97 -0.567 -6.347 -18.559 1.00 0.00 H new ATOM 0 HA CYS A 97 -0.805 -9.094 -17.603 1.00 0.00 H new ATOM 0 HB2 CYS A 97 1.506 -8.815 -16.961 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.277 -8.308 -18.623 1.00 0.00 H new ATOM 0 HG CYS A 97 1.211 -5.898 -16.222 1.00 0.00 H new ATOM 1488 N ALA A 98 -1.768 -8.462 -15.378 1.00 0.00 N ATOM 1489 CA ALA A 98 -2.209 -8.311 -13.994 1.00 0.00 C ATOM 1490 C ALA A 98 -1.622 -9.461 -13.164 1.00 0.00 C ATOM 1491 O ALA A 98 -1.534 -10.592 -13.652 1.00 0.00 O ATOM 1492 CB ALA A 98 -3.740 -8.303 -13.962 1.00 0.00 C ATOM 0 H ALA A 98 -2.240 -9.221 -15.870 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.859 -7.371 -13.566 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.082 -8.191 -12.933 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.112 -7.472 -14.561 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.117 -9.241 -14.369 1.00 0.00 H new ATOM 1498 N ALA A 99 -1.225 -9.191 -11.904 1.00 0.00 N ATOM 1499 CA ALA A 99 -0.541 -10.201 -11.067 1.00 0.00 C ATOM 1500 C ALA A 99 -1.492 -10.723 -9.980 1.00 0.00 C ATOM 1501 O ALA A 99 -2.008 -9.951 -9.155 1.00 0.00 O ATOM 1502 CB ALA A 99 0.740 -9.617 -10.452 1.00 0.00 C ATOM 0 H ALA A 99 -1.364 -8.291 -11.446 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.253 -11.042 -11.698 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.228 -10.375 -9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.415 -9.303 -11.248 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.487 -8.758 -9.831 1.00 0.00 H new ATOM 1508 N GLY A 100 -1.700 -12.043 -10.008 1.00 0.00 N ATOM 1509 CA GLY A 100 -2.593 -12.740 -9.102 1.00 0.00 C ATOM 1510 C GLY A 100 -2.595 -14.231 -9.405 1.00 0.00 C ATOM 1511 O GLY A 100 -2.504 -14.626 -10.576 1.00 0.00 O ATOM 0 H GLY A 100 -1.240 -12.661 -10.677 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.280 -12.572 -8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.603 -12.341 -9.198 1.00 0.00 H new ATOM 1664 N ASP A 111 -4.231 -8.748 -7.296 1.00 0.00 N ATOM 1665 CA ASP A 111 -3.767 -7.821 -6.243 1.00 0.00 C ATOM 1666 C ASP A 111 -2.964 -6.659 -6.855 1.00 0.00 C ATOM 1667 O ASP A 111 -2.874 -5.572 -6.275 1.00 0.00 O ATOM 1668 CB ASP A 111 -2.928 -8.578 -5.182 1.00 0.00 C ATOM 1669 CG ASP A 111 -2.523 -7.687 -3.987 1.00 0.00 C ATOM 1670 OD1 ASP A 111 -1.364 -7.233 -3.929 1.00 0.00 O ATOM 1671 OD2 ASP A 111 -3.371 -7.423 -3.113 1.00 0.00 O ATOM 0 HA ASP A 111 -4.641 -7.400 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.499 -9.431 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.029 -8.975 -5.653 1.00 0.00 H new ATOM 1676 N TYR A 112 -2.382 -6.906 -8.035 1.00 0.00 N ATOM 1677 CA TYR A 112 -1.628 -5.899 -8.801 1.00 0.00 C ATOM 1678 C TYR A 112 -2.190 -5.810 -10.225 1.00 0.00 C ATOM 1679 O TYR A 112 -2.753 -6.782 -10.739 1.00 0.00 O ATOM 1680 CB TYR A 112 -0.128 -6.264 -8.848 1.00 0.00 C ATOM 1681 CG TYR A 112 0.508 -6.523 -7.475 1.00 0.00 C ATOM 1682 CD1 TYR A 112 0.830 -7.814 -7.056 1.00 0.00 C ATOM 1683 CD2 TYR A 112 0.779 -5.469 -6.595 1.00 0.00 C ATOM 1684 CE1 TYR A 112 1.400 -8.046 -5.824 1.00 0.00 C ATOM 1685 CE2 TYR A 112 1.353 -5.696 -5.365 1.00 0.00 C ATOM 1686 CZ TYR A 112 1.658 -6.988 -4.981 1.00 0.00 C ATOM 1687 OH TYR A 112 2.214 -7.222 -3.742 1.00 0.00 O ATOM 0 H TYR A 112 -2.420 -7.818 -8.491 1.00 0.00 H new ATOM 0 HA TYR A 112 -1.732 -4.932 -8.309 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.003 -7.153 -9.466 1.00 0.00 H new ATOM 0 HB3 TYR A 112 0.414 -5.456 -9.339 1.00 0.00 H new ATOM 0 HD1 TYR A 112 0.628 -8.649 -7.711 1.00 0.00 H new ATOM 0 HD2 TYR A 112 0.533 -4.459 -6.887 1.00 0.00 H new ATOM 0 HE1 TYR A 112 1.644 -9.053 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 112 1.564 -4.869 -4.703 1.00 0.00 H new ATOM 0 HH TYR A 112 2.429 -8.174 -3.654 1.00 0.00 H new ATOM 1697 N TRP A 113 -1.995 -4.653 -10.867 1.00 0.00 N ATOM 1698 CA TRP A 113 -2.555 -4.353 -12.192 1.00 0.00 C ATOM 1699 C TRP A 113 -1.485 -3.682 -13.075 1.00 0.00 C ATOM 1700 O TRP A 113 -0.619 -2.955 -12.566 1.00 0.00 O ATOM 1701 CB TRP A 113 -3.796 -3.436 -12.014 1.00 0.00 C ATOM 1702 CG TRP A 113 -4.697 -3.384 -13.224 1.00 0.00 C ATOM 1703 CD1 TRP A 113 -4.763 -2.409 -14.181 1.00 0.00 C ATOM 1704 CD2 TRP A 113 -5.669 -4.371 -13.592 1.00 0.00 C ATOM 1705 NE1 TRP A 113 -5.710 -2.736 -15.115 1.00 0.00 N ATOM 1706 CE2 TRP A 113 -6.279 -3.933 -14.776 1.00 0.00 C ATOM 1707 CE3 TRP A 113 -6.073 -5.590 -13.035 1.00 0.00 C ATOM 1708 CZ2 TRP A 113 -7.278 -4.659 -15.406 1.00 0.00 C ATOM 1709 CZ3 TRP A 113 -7.069 -6.311 -13.661 1.00 0.00 C ATOM 1710 CH2 TRP A 113 -7.657 -5.846 -14.839 1.00 0.00 C ATOM 0 H TRP A 113 -1.439 -3.891 -10.479 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.865 -5.273 -12.688 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.374 -3.785 -11.158 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.459 -2.426 -11.781 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -4.158 -1.514 -14.198 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.952 -2.176 -15.933 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.613 -5.960 -12.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.741 -4.300 -16.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.398 -7.247 -13.234 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.428 -6.436 -15.313 1.00 0.00 H new ATOM 1721 N GLY A 114 -1.551 -3.934 -14.395 1.00 0.00 N ATOM 1722 CA GLY A 114 -0.601 -3.361 -15.353 1.00 0.00 C ATOM 1723 C GLY A 114 -1.033 -2.008 -15.899 1.00 0.00 C ATOM 1724 O GLY A 114 -1.989 -1.404 -15.401 1.00 0.00 O ATOM 0 H GLY A 114 -2.258 -4.534 -14.819 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.371 -3.256 -14.871 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -0.471 -4.055 -16.184 1.00 0.00 H new ATOM 1728 N GLN A 115 -0.315 -1.527 -16.925 1.00 0.00 N ATOM 1729 CA GLN A 115 -0.658 -0.276 -17.639 1.00 0.00 C ATOM 1730 C GLN A 115 -1.679 -0.568 -18.746 1.00 0.00 C ATOM 1731 O GLN A 115 -2.611 0.218 -18.977 1.00 0.00 O ATOM 1732 CB GLN A 115 0.618 0.381 -18.243 1.00 0.00 C ATOM 1733 CG GLN A 115 1.571 1.011 -17.210 1.00 0.00 C ATOM 1734 CD GLN A 115 0.948 2.186 -16.455 1.00 0.00 C ATOM 1735 OE1 GLN A 115 0.319 2.011 -15.409 1.00 0.00 O ATOM 1736 NE2 GLN A 115 1.104 3.389 -16.989 1.00 0.00 N ATOM 0 H GLN A 115 0.519 -1.989 -17.287 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.097 0.422 -16.925 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.165 -0.373 -18.808 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.312 1.151 -18.951 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.876 0.248 -16.494 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.474 1.351 -17.718 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.631 3.498 -17.856 1.00 0.00 H new ATOM 0 HE22 GLN A 115 0.697 4.206 -16.533 1.00 0.00 H new ATOM 1745 N GLY A 116 -1.493 -1.713 -19.409 1.00 0.00 N ATOM 1746 CA GLY A 116 -2.284 -2.095 -20.569 1.00 0.00 C ATOM 1747 C GLY A 116 -1.590 -1.705 -21.867 1.00 0.00 C ATOM 1748 O GLY A 116 -1.492 -0.517 -22.179 1.00 0.00 O ATOM 0 H GLY A 116 -0.785 -2.400 -19.150 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -2.456 -3.171 -20.556 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -3.261 -1.615 -20.519 1.00 0.00 H new ATOM 1752 N THR A 117 -1.094 -2.701 -22.619 1.00 0.00 N ATOM 1753 CA THR A 117 -0.505 -2.488 -23.948 1.00 0.00 C ATOM 1754 C THR A 117 -1.540 -2.845 -25.035 1.00 0.00 C ATOM 1755 O THR A 117 -1.974 -3.998 -25.161 1.00 0.00 O ATOM 1756 CB THR A 117 0.824 -3.308 -24.130 1.00 0.00 C ATOM 1757 OG1 THR A 117 1.372 -3.090 -25.434 1.00 0.00 O ATOM 1758 CG2 THR A 117 0.644 -4.817 -23.895 1.00 0.00 C ATOM 0 H THR A 117 -1.091 -3.677 -22.321 1.00 0.00 H new ATOM 0 HA THR A 117 -0.240 -1.435 -24.047 1.00 0.00 H new ATOM 0 HB THR A 117 1.512 -2.943 -23.367 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.323 -3.326 -25.433 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.599 -5.324 -24.036 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.290 -4.987 -22.878 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.084 -5.211 -24.604 1.00 0.00 H new ATOM 1766 N GLN A 118 -1.976 -1.821 -25.786 1.00 0.00 N ATOM 1767 CA GLN A 118 -2.948 -1.989 -26.872 1.00 0.00 C ATOM 1768 C GLN A 118 -2.196 -2.462 -28.119 1.00 0.00 C ATOM 1769 O GLN A 118 -1.240 -1.809 -28.545 1.00 0.00 O ATOM 1770 CB GLN A 118 -3.727 -0.654 -27.137 1.00 0.00 C ATOM 1771 CG GLN A 118 -5.119 -0.810 -27.816 1.00 0.00 C ATOM 1772 CD GLN A 118 -5.095 -1.293 -29.276 1.00 0.00 C ATOM 1773 OE1 GLN A 118 -6.096 -2.067 -29.677 1.00 0.00 O flip ATOM 1774 NE2 GLN A 118 -4.177 -0.982 -30.034 1.00 0.00 N flip ATOM 0 H GLN A 118 -1.665 -0.858 -25.656 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.694 -2.735 -26.596 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.862 -0.139 -26.186 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.108 -0.011 -27.763 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -5.713 -1.511 -27.230 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -5.632 0.151 -27.778 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -3.420 -0.386 -29.700 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -4.173 -1.320 -30.996 1.00 0.00 H new ATOM 1783 N VAL A 119 -2.609 -3.612 -28.674 1.00 0.00 N ATOM 1784 CA VAL A 119 -2.095 -4.122 -29.958 1.00 0.00 C ATOM 1785 C VAL A 119 -3.211 -4.016 -31.010 1.00 0.00 C ATOM 1786 O VAL A 119 -4.388 -4.261 -30.707 1.00 0.00 O ATOM 1787 CB VAL A 119 -1.565 -5.611 -29.845 1.00 0.00 C ATOM 1788 CG1 VAL A 119 -0.508 -5.730 -28.721 1.00 0.00 C ATOM 1789 CG2 VAL A 119 -2.713 -6.634 -29.638 1.00 0.00 C ATOM 0 H VAL A 119 -3.310 -4.217 -28.246 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.240 -3.516 -30.256 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.093 -5.856 -30.796 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.157 -6.760 -28.660 1.00 0.00 H new ATOM 0 HG12 VAL A 119 0.333 -5.072 -28.941 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.955 -5.442 -27.769 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.297 -7.639 -29.567 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.250 -6.398 -28.719 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.400 -6.585 -30.482 1.00 0.00 H new ATOM 1799 N THR A 120 -2.853 -3.612 -32.229 1.00 0.00 N ATOM 1800 CA THR A 120 -3.787 -3.538 -33.354 1.00 0.00 C ATOM 1801 C THR A 120 -3.317 -4.500 -34.440 1.00 0.00 C ATOM 1802 O THR A 120 -2.328 -4.231 -35.123 1.00 0.00 O ATOM 1803 CB THR A 120 -3.874 -2.081 -33.932 1.00 0.00 C ATOM 1804 OG1 THR A 120 -4.145 -1.151 -32.874 1.00 0.00 O ATOM 1805 CG2 THR A 120 -4.964 -1.947 -35.023 1.00 0.00 C ATOM 0 H THR A 120 -1.903 -3.326 -32.465 1.00 0.00 H new ATOM 0 HA THR A 120 -4.782 -3.814 -33.006 1.00 0.00 H new ATOM 0 HB THR A 120 -2.911 -1.859 -34.393 1.00 0.00 H new ATOM 0 HG1 THR A 120 -4.196 -0.244 -33.241 1.00 0.00 H new ATOM 0 HG21 THR A 120 -4.986 -0.921 -35.392 1.00 0.00 H new ATOM 0 HG22 THR A 120 -4.739 -2.624 -35.847 1.00 0.00 H new ATOM 0 HG23 THR A 120 -5.936 -2.201 -34.600 1.00 0.00 H new ATOM 1813 N VAL A 121 -4.001 -5.637 -34.572 1.00 0.00 N ATOM 1814 CA VAL A 121 -3.755 -6.566 -35.672 1.00 0.00 C ATOM 1815 C VAL A 121 -4.651 -6.158 -36.851 1.00 0.00 C ATOM 1816 O VAL A 121 -5.866 -6.399 -36.864 1.00 0.00 O ATOM 1817 CB VAL A 121 -3.935 -8.070 -35.244 1.00 0.00 C ATOM 1818 CG1 VAL A 121 -5.248 -8.295 -34.488 1.00 0.00 C ATOM 1819 CG2 VAL A 121 -3.802 -9.027 -36.456 1.00 0.00 C ATOM 0 H VAL A 121 -4.732 -5.936 -33.927 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.712 -6.501 -35.982 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.125 -8.306 -34.553 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.333 -9.346 -34.211 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.260 -7.680 -33.588 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.087 -8.019 -35.126 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.932 -10.057 -36.123 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.566 -8.786 -37.195 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.815 -8.912 -36.903 1.00 0.00 H new ATOM 1829 N SER A 122 -4.011 -5.475 -37.810 1.00 0.00 N ATOM 1830 CA SER A 122 -4.657 -4.882 -38.974 1.00 0.00 C ATOM 1831 C SER A 122 -5.230 -5.986 -39.875 1.00 0.00 C ATOM 1832 O SER A 122 -4.474 -6.789 -40.447 1.00 0.00 O ATOM 1833 CB SER A 122 -3.635 -3.999 -39.745 1.00 0.00 C ATOM 1834 OG SER A 122 -4.255 -3.213 -40.757 1.00 0.00 O ATOM 0 H SER A 122 -3.003 -5.319 -37.791 1.00 0.00 H new ATOM 0 HA SER A 122 -5.483 -4.248 -38.652 1.00 0.00 H new ATOM 0 HB2 SER A 122 -3.122 -3.343 -39.042 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.876 -4.637 -40.198 1.00 0.00 H new ATOM 0 HG SER A 122 -3.576 -2.673 -41.214 1.00 0.00 H new ATOM 1840 N SER A 123 -6.568 -6.031 -39.962 1.00 0.00 N ATOM 1841 CA SER A 123 -7.290 -6.977 -40.809 1.00 0.00 C ATOM 1842 C SER A 123 -7.079 -6.611 -42.289 1.00 0.00 C ATOM 1843 O SER A 123 -7.760 -5.730 -42.824 1.00 0.00 O ATOM 1844 CB SER A 123 -8.793 -7.002 -40.422 1.00 0.00 C ATOM 1845 OG SER A 123 -9.342 -5.696 -40.350 1.00 0.00 O ATOM 0 H SER A 123 -7.180 -5.404 -39.440 1.00 0.00 H new ATOM 0 HA SER A 123 -6.900 -7.983 -40.656 1.00 0.00 H new ATOM 0 HB2 SER A 123 -9.347 -7.589 -41.155 1.00 0.00 H new ATOM 0 HB3 SER A 123 -8.912 -7.499 -39.459 1.00 0.00 H new ATOM 0 HG SER A 123 -9.036 -5.170 -41.118 1.00 0.00 H new