USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 536 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 11:sc= 0.131! USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -2.37 F(o=-4.2!,f=-2.4) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.746 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 24 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.16) USER MOD Single : A 25 HIS : no HD1:sc= -0.0517 X(o=-0.052,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0407 K(o=-0.041,f=-0.79) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.504 K(o=-0.5,f=-1.1) USER MOD Single : A 55 TYR OH : rot -174:sc= -4.38! USER MOD Single : A 56 HIS : no HD1:sc= -0.635 X(o=-0.64,f=-0.48) USER MOD Single : A 67 SER OG : rot 171:sc= -0.242 USER MOD Single : A 69 MET CE :methyl -163:sc= 0 (180deg=-0.506) USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= 0.204 (180deg=0.0589) USER MOD Single : A 71 ASN : amide:sc= -1.48! C(o=-1.5!,f=-1.1!) USER MOD Single : A 73 HIS : no HD1:sc= -0.002 X(o=-0.002,f=-0.0029) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.949 41.593 -7.422 1.00 0.00 N ATOM 2 CA GLY A 1 -3.276 41.492 -6.141 1.00 0.00 C ATOM 3 C GLY A 1 -4.141 40.841 -5.081 1.00 0.00 C ATOM 4 O GLY A 1 -4.322 41.390 -3.994 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.316 42.045 -8.112 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.203 40.642 -7.756 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.811 42.165 -7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.358 40.916 -6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.986 42.488 -5.807 1.00 0.00 H new ATOM 8 N SER A 2 -4.679 39.667 -5.397 1.00 0.00 N ATOM 9 CA SER A 2 -5.536 38.943 -4.465 1.00 0.00 C ATOM 10 C SER A 2 -4.713 38.001 -3.592 1.00 0.00 C ATOM 11 O SER A 2 -4.504 36.838 -3.939 1.00 0.00 O ATOM 12 CB SER A 2 -6.600 38.151 -5.228 1.00 0.00 C ATOM 13 OG SER A 2 -7.559 37.601 -4.341 1.00 0.00 O ATOM 0 H SER A 2 -4.537 39.197 -6.291 1.00 0.00 H new ATOM 0 HA SER A 2 -6.028 39.671 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.097 38.802 -5.947 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.125 37.352 -5.797 1.00 0.00 H new ATOM 0 HG SER A 2 -8.229 37.101 -4.853 1.00 0.00 H new ATOM 19 N SER A 3 -4.248 38.511 -2.456 1.00 0.00 N ATOM 20 CA SER A 3 -3.445 37.718 -1.533 1.00 0.00 C ATOM 21 C SER A 3 -4.323 36.763 -0.731 1.00 0.00 C ATOM 22 O SER A 3 -4.755 37.081 0.376 1.00 0.00 O ATOM 23 CB SER A 3 -2.667 38.633 -0.585 1.00 0.00 C ATOM 24 OG SER A 3 -1.565 37.952 -0.010 1.00 0.00 O ATOM 0 H SER A 3 -4.414 39.471 -2.153 1.00 0.00 H new ATOM 0 HA SER A 3 -2.739 37.129 -2.118 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.314 39.509 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.328 38.992 0.203 1.00 0.00 H new ATOM 0 HG SER A 3 -1.083 38.558 0.591 1.00 0.00 H new ATOM 30 N GLY A 4 -4.584 35.590 -1.300 1.00 0.00 N ATOM 31 CA GLY A 4 -5.410 34.606 -0.625 1.00 0.00 C ATOM 32 C GLY A 4 -6.742 35.174 -0.179 1.00 0.00 C ATOM 33 O GLY A 4 -7.081 36.311 -0.508 1.00 0.00 O ATOM 0 H GLY A 4 -4.238 35.304 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.584 33.763 -1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.874 34.220 0.242 1.00 0.00 H new ATOM 37 N SER A 5 -7.502 34.381 0.570 1.00 0.00 N ATOM 38 CA SER A 5 -8.808 34.810 1.056 1.00 0.00 C ATOM 39 C SER A 5 -9.392 33.783 2.022 1.00 0.00 C ATOM 40 O SER A 5 -9.241 32.577 1.828 1.00 0.00 O ATOM 41 CB SER A 5 -9.766 35.028 -0.116 1.00 0.00 C ATOM 42 OG SER A 5 -10.954 35.673 0.309 1.00 0.00 O ATOM 0 H SER A 5 -7.236 33.438 0.853 1.00 0.00 H new ATOM 0 HA SER A 5 -8.679 35.752 1.589 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.277 35.629 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.012 34.069 -0.572 1.00 0.00 H new ATOM 0 HG SER A 5 -11.549 35.802 -0.459 1.00 0.00 H new ATOM 48 N SER A 6 -10.060 34.271 3.062 1.00 0.00 N ATOM 49 CA SER A 6 -10.664 33.397 4.061 1.00 0.00 C ATOM 50 C SER A 6 -11.450 32.272 3.394 1.00 0.00 C ATOM 51 O SER A 6 -12.290 32.515 2.528 1.00 0.00 O ATOM 52 CB SER A 6 -11.584 34.200 4.983 1.00 0.00 C ATOM 53 OG SER A 6 -12.786 34.554 4.321 1.00 0.00 O ATOM 0 H SER A 6 -10.197 35.267 3.235 1.00 0.00 H new ATOM 0 HA SER A 6 -9.863 32.956 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.814 33.614 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.071 35.101 5.319 1.00 0.00 H new ATOM 0 HG SER A 6 -12.851 34.062 3.476 1.00 0.00 H new ATOM 59 N GLY A 7 -11.171 31.039 3.804 1.00 0.00 N ATOM 60 CA GLY A 7 -11.859 29.894 3.237 1.00 0.00 C ATOM 61 C GLY A 7 -10.904 28.881 2.638 1.00 0.00 C ATOM 62 O GLY A 7 -10.193 29.180 1.679 1.00 0.00 O ATOM 0 H GLY A 7 -10.480 30.812 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.455 29.412 4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.552 30.235 2.467 1.00 0.00 H new ATOM 66 N MET A 8 -10.884 27.680 3.207 1.00 0.00 N ATOM 67 CA MET A 8 -10.008 26.620 2.723 1.00 0.00 C ATOM 68 C MET A 8 -10.754 25.292 2.640 1.00 0.00 C ATOM 69 O MET A 8 -11.868 25.164 3.148 1.00 0.00 O ATOM 70 CB MET A 8 -8.790 26.478 3.638 1.00 0.00 C ATOM 71 CG MET A 8 -7.831 27.655 3.561 1.00 0.00 C ATOM 72 SD MET A 8 -6.799 27.614 2.083 1.00 0.00 S ATOM 73 CE MET A 8 -5.176 27.868 2.797 1.00 0.00 C ATOM 0 H MET A 8 -11.464 27.417 4.003 1.00 0.00 H new ATOM 0 HA MET A 8 -9.672 26.890 1.722 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.130 26.364 4.667 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.254 25.566 3.377 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.400 28.584 3.576 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.193 27.658 4.445 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.426 27.868 2.006 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.153 28.825 3.318 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.959 27.066 3.502 1.00 0.00 H new ATOM 83 N ALA A 9 -10.134 24.308 1.998 1.00 0.00 N ATOM 84 CA ALA A 9 -10.739 22.991 1.851 1.00 0.00 C ATOM 85 C ALA A 9 -10.178 22.011 2.877 1.00 0.00 C ATOM 86 O ALA A 9 -9.023 22.122 3.289 1.00 0.00 O ATOM 87 CB ALA A 9 -10.520 22.463 0.441 1.00 0.00 C ATOM 0 H ALA A 9 -9.212 24.398 1.571 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.810 23.090 2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.977 21.478 0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.974 23.145 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.451 22.387 0.243 1.00 0.00 H new ATOM 93 N LEU A 10 -11.003 21.054 3.286 1.00 0.00 N ATOM 94 CA LEU A 10 -10.590 20.055 4.265 1.00 0.00 C ATOM 95 C LEU A 10 -10.540 18.665 3.637 1.00 0.00 C ATOM 96 O LEU A 10 -11.375 18.320 2.802 1.00 0.00 O ATOM 97 CB LEU A 10 -11.547 20.054 5.458 1.00 0.00 C ATOM 98 CG LEU A 10 -12.816 19.215 5.300 1.00 0.00 C ATOM 99 CD1 LEU A 10 -12.587 17.800 5.809 1.00 0.00 C ATOM 100 CD2 LEU A 10 -13.980 19.865 6.032 1.00 0.00 C ATOM 0 H LEU A 10 -11.962 20.949 2.955 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.589 20.314 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.005 19.695 6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.839 21.084 5.664 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.064 19.162 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.501 17.218 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.782 17.334 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.314 17.832 6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.874 19.254 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.742 19.949 7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.160 20.858 5.621 1.00 0.00 H new ATOM 112 N VAL A 11 -9.556 17.871 4.047 1.00 0.00 N ATOM 113 CA VAL A 11 -9.399 16.518 3.528 1.00 0.00 C ATOM 114 C VAL A 11 -9.282 15.504 4.661 1.00 0.00 C ATOM 115 O VAL A 11 -8.362 15.553 5.478 1.00 0.00 O ATOM 116 CB VAL A 11 -8.158 16.404 2.622 1.00 0.00 C ATOM 117 CG1 VAL A 11 -6.932 16.970 3.323 1.00 0.00 C ATOM 118 CG2 VAL A 11 -7.929 14.958 2.212 1.00 0.00 C ATOM 0 H VAL A 11 -8.856 18.142 4.737 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.290 16.300 2.940 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.333 16.989 1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.065 16.881 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.101 18.020 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.750 16.415 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.049 14.896 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.775 14.348 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.799 14.592 1.667 1.00 0.00 H new ATOM 128 N PRO A 12 -10.235 14.562 4.713 1.00 0.00 N ATOM 129 CA PRO A 12 -10.260 13.518 5.741 1.00 0.00 C ATOM 130 C PRO A 12 -9.132 12.506 5.568 1.00 0.00 C ATOM 131 O PRO A 12 -8.532 12.408 4.498 1.00 0.00 O ATOM 132 CB PRO A 12 -11.618 12.845 5.530 1.00 0.00 C ATOM 133 CG PRO A 12 -11.949 13.099 4.100 1.00 0.00 C ATOM 134 CD PRO A 12 -11.361 14.443 3.772 1.00 0.00 C ATOM 0 HA PRO A 12 -10.123 13.928 6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.567 11.777 5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.375 13.265 6.192 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.531 12.323 3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.028 13.096 3.942 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.026 14.493 2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.087 15.244 3.911 1.00 0.00 H new ATOM 142 N VAL A 13 -8.848 11.756 6.628 1.00 0.00 N ATOM 143 CA VAL A 13 -7.793 10.750 6.592 1.00 0.00 C ATOM 144 C VAL A 13 -8.306 9.435 6.017 1.00 0.00 C ATOM 145 O VAL A 13 -9.499 9.138 6.088 1.00 0.00 O ATOM 146 CB VAL A 13 -7.214 10.493 7.996 1.00 0.00 C ATOM 147 CG1 VAL A 13 -6.581 11.759 8.553 1.00 0.00 C ATOM 148 CG2 VAL A 13 -8.297 9.974 8.931 1.00 0.00 C ATOM 0 H VAL A 13 -9.334 11.826 7.522 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.005 11.141 5.948 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.438 9.732 7.916 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.178 11.558 9.545 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.777 12.084 7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.335 12.544 8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.871 9.798 9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.096 10.711 9.007 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.700 9.041 8.538 1.00 0.00 H new ATOM 158 N TYR A 14 -7.398 8.650 5.449 1.00 0.00 N ATOM 159 CA TYR A 14 -7.759 7.366 4.860 1.00 0.00 C ATOM 160 C TYR A 14 -6.843 6.256 5.368 1.00 0.00 C ATOM 161 O TYR A 14 -7.273 5.370 6.107 1.00 0.00 O ATOM 162 CB TYR A 14 -7.686 7.443 3.334 1.00 0.00 C ATOM 163 CG TYR A 14 -8.283 8.709 2.763 1.00 0.00 C ATOM 164 CD1 TYR A 14 -7.538 9.879 2.687 1.00 0.00 C ATOM 165 CD2 TYR A 14 -9.592 8.735 2.298 1.00 0.00 C ATOM 166 CE1 TYR A 14 -8.080 11.038 2.166 1.00 0.00 C ATOM 167 CE2 TYR A 14 -10.142 9.889 1.774 1.00 0.00 C ATOM 168 CZ TYR A 14 -9.382 11.038 1.711 1.00 0.00 C ATOM 169 OH TYR A 14 -9.924 12.191 1.191 1.00 0.00 O ATOM 0 H TYR A 14 -6.406 8.880 5.384 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.781 7.133 5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.643 7.371 3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.205 6.583 2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.518 9.883 3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.190 7.837 2.347 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.487 11.939 2.115 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.161 9.891 1.416 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.849 12.022 0.915 1.00 0.00 H new ATOM 179 N CYS A 15 -5.578 6.312 4.967 1.00 0.00 N ATOM 180 CA CYS A 15 -4.599 5.314 5.381 1.00 0.00 C ATOM 181 C CYS A 15 -4.733 5.004 6.869 1.00 0.00 C ATOM 182 O CYS A 15 -5.409 5.724 7.606 1.00 0.00 O ATOM 183 CB CYS A 15 -3.181 5.803 5.076 1.00 0.00 C ATOM 184 SG CYS A 15 -1.899 4.521 5.254 1.00 0.00 S ATOM 0 H CYS A 15 -5.206 7.039 4.355 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.790 4.400 4.819 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.153 6.191 4.058 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.944 6.634 5.740 1.00 0.00 H new ATOM 189 N LEU A 16 -4.086 3.929 7.304 1.00 0.00 N ATOM 190 CA LEU A 16 -4.132 3.523 8.705 1.00 0.00 C ATOM 191 C LEU A 16 -3.405 4.532 9.588 1.00 0.00 C ATOM 192 O LEU A 16 -3.704 4.663 10.775 1.00 0.00 O ATOM 193 CB LEU A 16 -3.509 2.137 8.875 1.00 0.00 C ATOM 194 CG LEU A 16 -3.879 1.100 7.814 1.00 0.00 C ATOM 195 CD1 LEU A 16 -2.804 0.028 7.717 1.00 0.00 C ATOM 196 CD2 LEU A 16 -5.231 0.475 8.127 1.00 0.00 C ATOM 0 H LEU A 16 -3.523 3.322 6.707 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.177 3.485 9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.425 2.247 8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.798 1.748 9.851 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.949 1.604 6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.085 -0.701 6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.854 0.489 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.702 -0.473 8.680 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.478 -0.260 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.189 -0.014 9.100 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.996 1.252 8.144 1.00 0.00 H new ATOM 208 N CYS A 17 -2.449 5.244 9.001 1.00 0.00 N ATOM 209 CA CYS A 17 -1.679 6.243 9.733 1.00 0.00 C ATOM 210 C CYS A 17 -2.572 7.395 10.183 1.00 0.00 C ATOM 211 O CYS A 17 -2.179 8.210 11.018 1.00 0.00 O ATOM 212 CB CYS A 17 -0.538 6.776 8.864 1.00 0.00 C ATOM 213 SG CYS A 17 0.593 5.487 8.250 1.00 0.00 S ATOM 0 H CYS A 17 -2.189 5.148 8.019 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.259 5.765 10.618 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.962 7.308 8.012 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.035 7.502 9.441 1.00 0.00 H new ATOM 218 N ARG A 18 -3.776 7.457 9.623 1.00 0.00 N ATOM 219 CA ARG A 18 -4.725 8.510 9.965 1.00 0.00 C ATOM 220 C ARG A 18 -4.324 9.833 9.321 1.00 0.00 C ATOM 221 O ARG A 18 -4.408 10.890 9.947 1.00 0.00 O ATOM 222 CB ARG A 18 -4.810 8.675 11.484 1.00 0.00 C ATOM 223 CG ARG A 18 -4.860 7.356 12.238 1.00 0.00 C ATOM 224 CD ARG A 18 -5.992 6.472 11.740 1.00 0.00 C ATOM 225 NE ARG A 18 -6.521 5.613 12.796 1.00 0.00 N ATOM 226 CZ ARG A 18 -7.335 6.042 13.754 1.00 0.00 C ATOM 227 NH1 ARG A 18 -7.712 7.313 13.787 1.00 0.00 N ATOM 228 NH2 ARG A 18 -7.774 5.200 14.680 1.00 0.00 N ATOM 0 H ARG A 18 -4.117 6.790 8.930 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.704 8.221 9.582 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.949 9.248 11.828 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.698 9.258 11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.911 6.833 12.122 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.989 7.549 13.303 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.793 7.097 11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.634 5.855 10.916 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.251 4.630 12.798 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.377 7.963 13.076 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.337 7.641 14.523 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.487 4.222 14.657 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.399 5.531 15.415 1.00 0.00 H new ATOM 242 N GLN A 19 -3.887 9.767 8.067 1.00 0.00 N ATOM 243 CA GLN A 19 -3.472 10.960 7.339 1.00 0.00 C ATOM 244 C GLN A 19 -4.368 11.199 6.129 1.00 0.00 C ATOM 245 O GLN A 19 -4.922 10.268 5.543 1.00 0.00 O ATOM 246 CB GLN A 19 -2.015 10.830 6.892 1.00 0.00 C ATOM 247 CG GLN A 19 -1.058 10.497 8.026 1.00 0.00 C ATOM 248 CD GLN A 19 -1.291 11.352 9.255 1.00 0.00 C ATOM 249 OE1 GLN A 19 -1.947 10.781 10.259 1.00 0.00 O flip ATOM 250 NE2 GLN A 19 -0.886 12.514 9.304 1.00 0.00 N flip ATOM 0 H GLN A 19 -3.811 8.900 7.535 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.564 11.814 8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -1.945 10.054 6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.702 11.764 6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.168 9.446 8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.032 10.633 7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.386 12.914 8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.050 13.077 10.139 1.00 0.00 H new ATOM 259 N PRO A 20 -4.516 12.475 5.744 1.00 0.00 N ATOM 260 CA PRO A 20 -5.345 12.866 4.599 1.00 0.00 C ATOM 261 C PRO A 20 -4.738 12.432 3.269 1.00 0.00 C ATOM 262 O PRO A 20 -5.370 11.719 2.490 1.00 0.00 O ATOM 263 CB PRO A 20 -5.386 14.393 4.696 1.00 0.00 C ATOM 264 CG PRO A 20 -4.143 14.760 5.431 1.00 0.00 C ATOM 265 CD PRO A 20 -3.886 13.635 6.396 1.00 0.00 C ATOM 0 HA PRO A 20 -6.329 12.397 4.628 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.411 14.852 3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.275 14.732 5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.306 14.884 4.744 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.266 15.706 5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.819 13.477 6.554 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.326 13.835 7.373 1.00 0.00 H new ATOM 273 N TYR A 21 -3.508 12.867 3.016 1.00 0.00 N ATOM 274 CA TYR A 21 -2.817 12.526 1.779 1.00 0.00 C ATOM 275 C TYR A 21 -1.392 13.073 1.782 1.00 0.00 C ATOM 276 O TYR A 21 -1.121 14.124 2.361 1.00 0.00 O ATOM 277 CB TYR A 21 -3.583 13.074 0.573 1.00 0.00 C ATOM 278 CG TYR A 21 -2.828 12.949 -0.731 1.00 0.00 C ATOM 279 CD1 TYR A 21 -2.468 11.704 -1.232 1.00 0.00 C ATOM 280 CD2 TYR A 21 -2.477 14.076 -1.463 1.00 0.00 C ATOM 281 CE1 TYR A 21 -1.778 11.586 -2.423 1.00 0.00 C ATOM 282 CE2 TYR A 21 -1.788 13.967 -2.656 1.00 0.00 C ATOM 283 CZ TYR A 21 -1.440 12.720 -3.131 1.00 0.00 C ATOM 284 OH TYR A 21 -0.754 12.606 -4.319 1.00 0.00 O ATOM 0 H TYR A 21 -2.970 13.456 3.651 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.770 11.439 1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.532 12.546 0.486 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.817 14.124 0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.732 10.813 -0.681 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.747 15.054 -1.094 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.505 10.611 -2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.524 14.854 -3.213 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.595 13.498 -4.692 1.00 0.00 H new ATOM 294 N ASN A 22 -0.487 12.351 1.130 1.00 0.00 N ATOM 295 CA ASN A 22 0.910 12.763 1.057 1.00 0.00 C ATOM 296 C ASN A 22 1.432 12.663 -0.373 1.00 0.00 C ATOM 297 O ASN A 22 2.008 11.649 -0.767 1.00 0.00 O ATOM 298 CB ASN A 22 1.767 11.900 1.985 1.00 0.00 C ATOM 299 CG ASN A 22 1.670 12.338 3.434 1.00 0.00 C ATOM 300 OD1 ASN A 22 0.643 12.144 4.085 1.00 0.00 O ATOM 301 ND2 ASN A 22 2.742 12.932 3.946 1.00 0.00 N ATOM 0 H ASN A 22 -0.696 11.478 0.645 1.00 0.00 H new ATOM 0 HA ASN A 22 0.973 13.803 1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.454 10.859 1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.807 11.947 1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.736 13.248 4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.572 13.072 3.369 1.00 0.00 H new ATOM 308 N VAL A 23 1.228 13.725 -1.147 1.00 0.00 N ATOM 309 CA VAL A 23 1.679 13.759 -2.533 1.00 0.00 C ATOM 310 C VAL A 23 3.144 13.350 -2.645 1.00 0.00 C ATOM 311 O VAL A 23 3.591 12.884 -3.692 1.00 0.00 O ATOM 312 CB VAL A 23 1.501 15.160 -3.148 1.00 0.00 C ATOM 313 CG1 VAL A 23 2.242 16.202 -2.325 1.00 0.00 C ATOM 314 CG2 VAL A 23 1.977 15.172 -4.593 1.00 0.00 C ATOM 0 H VAL A 23 0.753 14.573 -0.837 1.00 0.00 H new ATOM 0 HA VAL A 23 1.063 13.048 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 23 0.440 15.411 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.105 17.185 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.849 16.210 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.304 15.959 -2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.844 16.170 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.032 14.900 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.397 14.455 -5.173 1.00 0.00 H new ATOM 324 N ASN A 24 3.886 13.527 -1.557 1.00 0.00 N ATOM 325 CA ASN A 24 5.302 13.177 -1.532 1.00 0.00 C ATOM 326 C ASN A 24 5.489 11.664 -1.592 1.00 0.00 C ATOM 327 O ASN A 24 6.468 11.170 -2.152 1.00 0.00 O ATOM 328 CB ASN A 24 5.964 13.734 -0.270 1.00 0.00 C ATOM 329 CG ASN A 24 5.472 15.127 0.074 1.00 0.00 C ATOM 330 OD1 ASN A 24 4.830 15.333 1.104 1.00 0.00 O ATOM 331 ND2 ASN A 24 5.772 16.090 -0.789 1.00 0.00 N ATOM 0 H ASN A 24 3.531 13.911 -0.681 1.00 0.00 H new ATOM 0 HA ASN A 24 5.776 13.619 -2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.765 13.064 0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.045 13.758 -0.410 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.468 17.047 -0.611 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.307 15.873 -1.630 1.00 0.00 H new ATOM 338 N HIS A 25 4.542 10.933 -1.011 1.00 0.00 N ATOM 339 CA HIS A 25 4.602 9.475 -0.999 1.00 0.00 C ATOM 340 C HIS A 25 3.533 8.881 -1.911 1.00 0.00 C ATOM 341 O HIS A 25 2.448 9.443 -2.062 1.00 0.00 O ATOM 342 CB HIS A 25 4.424 8.948 0.425 1.00 0.00 C ATOM 343 CG HIS A 25 5.648 9.099 1.276 1.00 0.00 C ATOM 344 ND1 HIS A 25 5.607 9.550 2.578 1.00 0.00 N ATOM 345 CD2 HIS A 25 6.951 8.854 1.004 1.00 0.00 C ATOM 346 CE1 HIS A 25 6.833 9.577 3.071 1.00 0.00 C ATOM 347 NE2 HIS A 25 7.667 9.159 2.136 1.00 0.00 N ATOM 0 H HIS A 25 3.725 11.326 -0.543 1.00 0.00 H new ATOM 0 HA HIS A 25 5.581 9.173 -1.370 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.595 9.475 0.898 1.00 0.00 H new ATOM 0 HB3 HIS A 25 4.149 7.894 0.382 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.353 8.487 0.071 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.106 9.888 4.069 1.00 0.00 H new ATOM 0 HE2 HIS A 25 8.679 9.076 2.238 1.00 0.00 H new ATOM 356 N PHE A 26 3.847 7.741 -2.518 1.00 0.00 N ATOM 357 CA PHE A 26 2.914 7.071 -3.417 1.00 0.00 C ATOM 358 C PHE A 26 1.664 6.622 -2.667 1.00 0.00 C ATOM 359 O PHE A 26 1.735 6.219 -1.507 1.00 0.00 O ATOM 360 CB PHE A 26 3.587 5.866 -4.078 1.00 0.00 C ATOM 361 CG PHE A 26 2.645 4.727 -4.348 1.00 0.00 C ATOM 362 CD1 PHE A 26 2.091 4.006 -3.302 1.00 0.00 C ATOM 363 CD2 PHE A 26 2.313 4.378 -5.647 1.00 0.00 C ATOM 364 CE1 PHE A 26 1.224 2.958 -3.546 1.00 0.00 C ATOM 365 CE2 PHE A 26 1.446 3.331 -5.897 1.00 0.00 C ATOM 366 CZ PHE A 26 0.902 2.620 -4.846 1.00 0.00 C ATOM 0 H PHE A 26 4.740 7.262 -2.404 1.00 0.00 H new ATOM 0 HA PHE A 26 2.617 7.781 -4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.040 6.183 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.395 5.514 -3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.340 4.266 -2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.736 4.930 -6.473 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.799 2.404 -2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.194 3.069 -6.914 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.226 1.801 -5.040 1.00 0.00 H new ATOM 376 N MET A 27 0.520 6.696 -3.339 1.00 0.00 N ATOM 377 CA MET A 27 -0.747 6.297 -2.737 1.00 0.00 C ATOM 378 C MET A 27 -1.690 5.718 -3.787 1.00 0.00 C ATOM 379 O MET A 27 -1.657 6.118 -4.951 1.00 0.00 O ATOM 380 CB MET A 27 -1.407 7.492 -2.045 1.00 0.00 C ATOM 381 CG MET A 27 -0.886 7.743 -0.639 1.00 0.00 C ATOM 382 SD MET A 27 -1.896 6.950 0.627 1.00 0.00 S ATOM 383 CE MET A 27 -3.058 8.261 1.003 1.00 0.00 C ATOM 0 H MET A 27 0.444 7.028 -4.300 1.00 0.00 H new ATOM 0 HA MET A 27 -0.541 5.526 -1.995 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.246 8.385 -2.648 1.00 0.00 H new ATOM 0 HB3 MET A 27 -2.484 7.327 -2.001 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.138 7.376 -0.564 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.854 8.817 -0.454 1.00 0.00 H new ATOM 0 HE1 MET A 27 -3.752 7.923 1.772 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.516 9.136 1.362 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.614 8.523 0.103 1.00 0.00 H new ATOM 393 N ILE A 28 -2.528 4.776 -3.368 1.00 0.00 N ATOM 394 CA ILE A 28 -3.480 4.144 -4.274 1.00 0.00 C ATOM 395 C ILE A 28 -4.904 4.259 -3.741 1.00 0.00 C ATOM 396 O ILE A 28 -5.145 4.902 -2.720 1.00 0.00 O ATOM 397 CB ILE A 28 -3.145 2.657 -4.495 1.00 0.00 C ATOM 398 CG1 ILE A 28 -2.191 2.160 -3.406 1.00 0.00 C ATOM 399 CG2 ILE A 28 -2.537 2.451 -5.874 1.00 0.00 C ATOM 400 CD1 ILE A 28 -2.841 2.031 -2.046 1.00 0.00 C ATOM 0 H ILE A 28 -2.567 4.434 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.407 4.670 -5.226 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.067 2.079 -4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.789 1.191 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.347 2.846 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.306 1.395 -6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.247 2.772 -6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.622 3.038 -5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.106 1.674 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.218 3.003 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.667 1.322 -2.103 1.00 0.00 H new ATOM 412 N GLU A 29 -5.844 3.630 -4.440 1.00 0.00 N ATOM 413 CA GLU A 29 -7.245 3.661 -4.036 1.00 0.00 C ATOM 414 C GLU A 29 -7.861 2.266 -4.099 1.00 0.00 C ATOM 415 O GLU A 29 -7.631 1.516 -5.048 1.00 0.00 O ATOM 416 CB GLU A 29 -8.035 4.620 -4.929 1.00 0.00 C ATOM 417 CG GLU A 29 -9.470 4.831 -4.475 1.00 0.00 C ATOM 418 CD GLU A 29 -10.214 5.829 -5.341 1.00 0.00 C ATOM 419 OE1 GLU A 29 -9.576 6.791 -5.818 1.00 0.00 O ATOM 420 OE2 GLU A 29 -11.433 5.649 -5.541 1.00 0.00 O ATOM 0 H GLU A 29 -5.661 3.093 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.292 4.013 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.525 5.583 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.038 4.235 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.997 3.877 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.473 5.178 -3.442 1.00 0.00 H new ATOM 427 N CYS A 30 -8.643 1.925 -3.081 1.00 0.00 N ATOM 428 CA CYS A 30 -9.292 0.621 -3.018 1.00 0.00 C ATOM 429 C CYS A 30 -10.580 0.614 -3.837 1.00 0.00 C ATOM 430 O CYS A 30 -11.450 1.463 -3.652 1.00 0.00 O ATOM 431 CB CYS A 30 -9.597 0.249 -1.566 1.00 0.00 C ATOM 432 SG CYS A 30 -10.534 -1.302 -1.376 1.00 0.00 S ATOM 0 H CYS A 30 -8.843 2.534 -2.288 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.609 -0.117 -3.440 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.658 0.163 -1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.161 1.060 -1.105 1.00 0.00 H new ATOM 437 N GLY A 31 -10.692 -0.352 -4.744 1.00 0.00 N ATOM 438 CA GLY A 31 -11.876 -0.452 -5.578 1.00 0.00 C ATOM 439 C GLY A 31 -13.032 -1.126 -4.866 1.00 0.00 C ATOM 440 O GLY A 31 -13.951 -1.639 -5.505 1.00 0.00 O ATOM 0 H GLY A 31 -9.985 -1.066 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.180 0.546 -5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.634 -1.012 -6.481 1.00 0.00 H new ATOM 444 N LEU A 32 -12.986 -1.128 -3.538 1.00 0.00 N ATOM 445 CA LEU A 32 -14.037 -1.746 -2.737 1.00 0.00 C ATOM 446 C LEU A 32 -14.603 -0.756 -1.724 1.00 0.00 C ATOM 447 O LEU A 32 -15.802 -0.754 -1.445 1.00 0.00 O ATOM 448 CB LEU A 32 -13.495 -2.980 -2.014 1.00 0.00 C ATOM 449 CG LEU A 32 -12.857 -4.050 -2.899 1.00 0.00 C ATOM 450 CD1 LEU A 32 -12.564 -5.306 -2.092 1.00 0.00 C ATOM 451 CD2 LEU A 32 -13.759 -4.373 -4.081 1.00 0.00 C ATOM 0 H LEU A 32 -12.232 -0.709 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.841 -2.050 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.755 -2.653 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.312 -3.438 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.914 -3.661 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.110 -6.057 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.879 -5.065 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.493 -5.698 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.288 -5.137 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.718 -4.741 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.918 -3.472 -4.674 1.00 0.00 H new ATOM 463 N CYS A 33 -13.732 0.087 -1.178 1.00 0.00 N ATOM 464 CA CYS A 33 -14.144 1.083 -0.197 1.00 0.00 C ATOM 465 C CYS A 33 -13.933 2.496 -0.735 1.00 0.00 C ATOM 466 O CYS A 33 -14.357 3.474 -0.120 1.00 0.00 O ATOM 467 CB CYS A 33 -13.363 0.900 1.106 1.00 0.00 C ATOM 468 SG CYS A 33 -13.145 -0.838 1.604 1.00 0.00 S ATOM 0 H CYS A 33 -12.736 0.100 -1.399 1.00 0.00 H new ATOM 0 HA CYS A 33 -15.207 0.943 0.001 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.382 1.361 0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.879 1.434 1.904 1.00 0.00 H new ATOM 473 N GLN A 34 -13.277 2.592 -1.886 1.00 0.00 N ATOM 474 CA GLN A 34 -13.010 3.884 -2.507 1.00 0.00 C ATOM 475 C GLN A 34 -12.124 4.745 -1.612 1.00 0.00 C ATOM 476 O GLN A 34 -12.147 5.973 -1.696 1.00 0.00 O ATOM 477 CB GLN A 34 -14.322 4.614 -2.800 1.00 0.00 C ATOM 478 CG GLN A 34 -15.169 3.938 -3.866 1.00 0.00 C ATOM 479 CD GLN A 34 -16.030 4.919 -4.637 1.00 0.00 C ATOM 480 OE1 GLN A 34 -16.275 6.037 -4.183 1.00 0.00 O ATOM 481 NE2 GLN A 34 -16.495 4.505 -5.810 1.00 0.00 N ATOM 0 H GLN A 34 -12.921 1.791 -2.408 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.484 3.706 -3.445 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.901 4.687 -1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.098 5.633 -3.117 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.517 3.409 -4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.808 3.190 -3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -16.267 3.570 -6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -17.080 5.122 -6.373 1.00 0.00 H new ATOM 490 N ASP A 35 -11.346 4.093 -0.755 1.00 0.00 N ATOM 491 CA ASP A 35 -10.453 4.799 0.156 1.00 0.00 C ATOM 492 C ASP A 35 -9.030 4.829 -0.393 1.00 0.00 C ATOM 493 O ASP A 35 -8.781 4.406 -1.522 1.00 0.00 O ATOM 494 CB ASP A 35 -10.467 4.137 1.534 1.00 0.00 C ATOM 495 CG ASP A 35 -11.762 4.386 2.283 1.00 0.00 C ATOM 496 OD1 ASP A 35 -12.078 5.565 2.546 1.00 0.00 O ATOM 497 OD2 ASP A 35 -12.459 3.401 2.606 1.00 0.00 O ATOM 0 H ASP A 35 -11.316 3.077 -0.672 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.809 5.825 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.318 3.063 1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.631 4.514 2.124 1.00 0.00 H new ATOM 502 N TRP A 36 -8.101 5.332 0.412 1.00 0.00 N ATOM 503 CA TRP A 36 -6.703 5.418 0.006 1.00 0.00 C ATOM 504 C TRP A 36 -5.786 4.869 1.093 1.00 0.00 C ATOM 505 O TRP A 36 -6.181 4.754 2.253 1.00 0.00 O ATOM 506 CB TRP A 36 -6.330 6.868 -0.308 1.00 0.00 C ATOM 507 CG TRP A 36 -7.016 7.407 -1.528 1.00 0.00 C ATOM 508 CD1 TRP A 36 -8.315 7.815 -1.624 1.00 0.00 C ATOM 509 CD2 TRP A 36 -6.437 7.594 -2.824 1.00 0.00 C ATOM 510 NE1 TRP A 36 -8.580 8.244 -2.902 1.00 0.00 N ATOM 511 CE2 TRP A 36 -7.444 8.120 -3.657 1.00 0.00 C ATOM 512 CE3 TRP A 36 -5.167 7.371 -3.361 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -7.217 8.423 -4.997 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -4.943 7.672 -4.691 1.00 0.00 C ATOM 515 CH2 TRP A 36 -5.964 8.194 -5.497 1.00 0.00 C ATOM 0 H TRP A 36 -8.291 5.686 1.349 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.574 4.814 -0.892 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.582 7.494 0.548 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.251 6.936 -0.447 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.030 7.802 -0.814 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -9.477 8.597 -3.235 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.374 6.970 -2.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.002 8.825 -5.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.965 7.502 -5.116 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.758 8.420 -6.533 1.00 0.00 H new ATOM 526 N PHE A 37 -4.559 4.530 0.710 1.00 0.00 N ATOM 527 CA PHE A 37 -3.586 3.991 1.653 1.00 0.00 C ATOM 528 C PHE A 37 -2.171 4.089 1.089 1.00 0.00 C ATOM 529 O PHE A 37 -1.931 3.771 -0.076 1.00 0.00 O ATOM 530 CB PHE A 37 -3.916 2.534 1.982 1.00 0.00 C ATOM 531 CG PHE A 37 -5.279 2.349 2.584 1.00 0.00 C ATOM 532 CD1 PHE A 37 -6.397 2.222 1.775 1.00 0.00 C ATOM 533 CD2 PHE A 37 -5.444 2.304 3.959 1.00 0.00 C ATOM 534 CE1 PHE A 37 -7.653 2.052 2.326 1.00 0.00 C ATOM 535 CE2 PHE A 37 -6.697 2.134 4.516 1.00 0.00 C ATOM 536 CZ PHE A 37 -7.803 2.008 3.698 1.00 0.00 C ATOM 0 H PHE A 37 -4.215 4.619 -0.246 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.636 4.583 2.567 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.846 1.940 1.071 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.167 2.147 2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.285 2.256 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.583 2.403 4.603 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.516 1.954 1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.812 2.100 5.589 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.784 1.875 4.131 1.00 0.00 H new ATOM 546 N HIS A 38 -1.237 4.532 1.925 1.00 0.00 N ATOM 547 CA HIS A 38 0.155 4.673 1.511 1.00 0.00 C ATOM 548 C HIS A 38 0.712 3.341 1.019 1.00 0.00 C ATOM 549 O HIS A 38 0.505 2.301 1.644 1.00 0.00 O ATOM 550 CB HIS A 38 1.003 5.198 2.670 1.00 0.00 C ATOM 551 CG HIS A 38 0.594 6.559 3.143 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.374 6.859 4.470 1.00 0.00 N ATOM 553 CD2 HIS A 38 0.368 7.703 2.457 1.00 0.00 C ATOM 554 CE1 HIS A 38 0.028 8.129 4.580 1.00 0.00 C ATOM 555 NE2 HIS A 38 0.017 8.665 3.373 1.00 0.00 N ATOM 0 H HIS A 38 -1.419 4.799 2.892 1.00 0.00 H new ATOM 0 HA HIS A 38 0.194 5.389 0.690 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.938 4.498 3.503 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.048 5.229 2.360 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.449 7.835 1.388 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.206 8.642 5.501 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.214 9.635 3.156 1.00 0.00 H new ATOM 563 N GLY A 39 1.421 3.380 -0.105 1.00 0.00 N ATOM 564 CA GLY A 39 1.996 2.169 -0.662 1.00 0.00 C ATOM 565 C GLY A 39 3.021 1.538 0.259 1.00 0.00 C ATOM 566 O GLY A 39 3.380 0.372 0.093 1.00 0.00 O ATOM 0 H GLY A 39 1.608 4.228 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.200 1.451 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.465 2.400 -1.619 1.00 0.00 H new ATOM 570 N SER A 40 3.495 2.310 1.232 1.00 0.00 N ATOM 571 CA SER A 40 4.490 1.821 2.180 1.00 0.00 C ATOM 572 C SER A 40 3.819 1.129 3.362 1.00 0.00 C ATOM 573 O SER A 40 4.410 0.260 4.005 1.00 0.00 O ATOM 574 CB SER A 40 5.362 2.975 2.677 1.00 0.00 C ATOM 575 OG SER A 40 6.177 3.484 1.636 1.00 0.00 O ATOM 0 H SER A 40 3.206 3.276 1.385 1.00 0.00 H new ATOM 0 HA SER A 40 5.120 1.095 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.729 3.771 3.069 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.990 2.632 3.500 1.00 0.00 H new ATOM 0 HG SER A 40 6.723 4.222 1.979 1.00 0.00 H new ATOM 581 N CYS A 41 2.581 1.520 3.644 1.00 0.00 N ATOM 582 CA CYS A 41 1.828 0.939 4.749 1.00 0.00 C ATOM 583 C CYS A 41 1.050 -0.291 4.290 1.00 0.00 C ATOM 584 O CYS A 41 0.710 -1.160 5.093 1.00 0.00 O ATOM 585 CB CYS A 41 0.866 1.974 5.338 1.00 0.00 C ATOM 586 SG CYS A 41 1.691 3.425 6.067 1.00 0.00 S ATOM 0 H CYS A 41 2.078 2.237 3.122 1.00 0.00 H new ATOM 0 HA CYS A 41 2.537 0.633 5.518 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.187 2.311 4.554 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.256 1.494 6.103 1.00 0.00 H new ATOM 591 N VAL A 42 0.771 -0.357 2.992 1.00 0.00 N ATOM 592 CA VAL A 42 0.034 -1.481 2.425 1.00 0.00 C ATOM 593 C VAL A 42 0.973 -2.452 1.717 1.00 0.00 C ATOM 594 O VAL A 42 0.701 -3.649 1.640 1.00 0.00 O ATOM 595 CB VAL A 42 -1.039 -1.003 1.429 1.00 0.00 C ATOM 596 CG1 VAL A 42 -2.064 -0.124 2.130 1.00 0.00 C ATOM 597 CG2 VAL A 42 -0.395 -0.262 0.267 1.00 0.00 C ATOM 0 H VAL A 42 1.044 0.354 2.313 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.454 -1.992 3.255 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.556 -1.876 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.814 0.204 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.547 -0.692 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.566 0.746 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.168 0.069 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.148 0.604 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.297 -0.927 -0.250 1.00 0.00 H new ATOM 607 N GLY A 43 2.080 -1.926 1.200 1.00 0.00 N ATOM 608 CA GLY A 43 3.042 -2.760 0.505 1.00 0.00 C ATOM 609 C GLY A 43 2.859 -2.726 -0.999 1.00 0.00 C ATOM 610 O GLY A 43 2.972 -3.754 -1.668 1.00 0.00 O ATOM 0 H GLY A 43 2.327 -0.938 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.051 -2.429 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.948 -3.788 0.856 1.00 0.00 H new ATOM 614 N ILE A 44 2.573 -1.543 -1.533 1.00 0.00 N ATOM 615 CA ILE A 44 2.373 -1.381 -2.967 1.00 0.00 C ATOM 616 C ILE A 44 3.259 -0.273 -3.524 1.00 0.00 C ATOM 617 O ILE A 44 3.277 0.842 -3.002 1.00 0.00 O ATOM 618 CB ILE A 44 0.903 -1.062 -3.298 1.00 0.00 C ATOM 619 CG1 ILE A 44 0.019 -2.280 -3.020 1.00 0.00 C ATOM 620 CG2 ILE A 44 0.769 -0.624 -4.749 1.00 0.00 C ATOM 621 CD1 ILE A 44 -1.458 -2.010 -3.207 1.00 0.00 C ATOM 0 H ILE A 44 2.475 -0.683 -0.994 1.00 0.00 H new ATOM 0 HA ILE A 44 2.645 -2.329 -3.432 1.00 0.00 H new ATOM 0 HB ILE A 44 0.572 -0.243 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.318 -3.094 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.192 -2.619 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.276 -0.402 -4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.372 0.268 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.114 -1.424 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.024 -2.917 -2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.772 -1.218 -2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.644 -1.701 -4.235 1.00 0.00 H new ATOM 633 N GLU A 45 3.992 -0.587 -4.588 1.00 0.00 N ATOM 634 CA GLU A 45 4.881 0.384 -5.216 1.00 0.00 C ATOM 635 C GLU A 45 4.192 1.070 -6.393 1.00 0.00 C ATOM 636 O GLU A 45 3.189 0.580 -6.909 1.00 0.00 O ATOM 637 CB GLU A 45 6.165 -0.299 -5.690 1.00 0.00 C ATOM 638 CG GLU A 45 7.156 -0.576 -4.572 1.00 0.00 C ATOM 639 CD GLU A 45 7.162 0.511 -3.515 1.00 0.00 C ATOM 640 OE1 GLU A 45 7.182 1.702 -3.891 1.00 0.00 O ATOM 641 OE2 GLU A 45 7.148 0.172 -2.314 1.00 0.00 O ATOM 0 H GLU A 45 3.988 -1.505 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 45 5.134 1.141 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.908 -1.240 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.644 0.329 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.913 -1.530 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.156 -0.673 -4.994 1.00 0.00 H new ATOM 648 N GLU A 46 4.740 2.207 -6.810 1.00 0.00 N ATOM 649 CA GLU A 46 4.178 2.961 -7.924 1.00 0.00 C ATOM 650 C GLU A 46 4.337 2.195 -9.235 1.00 0.00 C ATOM 651 O GLU A 46 3.460 2.232 -10.097 1.00 0.00 O ATOM 652 CB GLU A 46 4.853 4.330 -8.035 1.00 0.00 C ATOM 653 CG GLU A 46 4.226 5.234 -9.083 1.00 0.00 C ATOM 654 CD GLU A 46 5.069 6.460 -9.376 1.00 0.00 C ATOM 655 OE1 GLU A 46 5.614 7.047 -8.417 1.00 0.00 O ATOM 656 OE2 GLU A 46 5.184 6.832 -10.562 1.00 0.00 O ATOM 0 H GLU A 46 5.572 2.626 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 46 3.114 3.103 -7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.810 4.827 -7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.907 4.188 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.080 4.669 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.240 5.549 -8.743 1.00 0.00 H new ATOM 663 N GLU A 47 5.463 1.503 -9.376 1.00 0.00 N ATOM 664 CA GLU A 47 5.738 0.730 -10.581 1.00 0.00 C ATOM 665 C GLU A 47 4.710 -0.383 -10.759 1.00 0.00 C ATOM 666 O GLU A 47 4.457 -0.836 -11.875 1.00 0.00 O ATOM 667 CB GLU A 47 7.146 0.135 -10.522 1.00 0.00 C ATOM 668 CG GLU A 47 7.303 -0.953 -9.473 1.00 0.00 C ATOM 669 CD GLU A 47 8.474 -1.873 -9.757 1.00 0.00 C ATOM 670 OE1 GLU A 47 8.771 -2.106 -10.948 1.00 0.00 O ATOM 671 OE2 GLU A 47 9.094 -2.361 -8.789 1.00 0.00 O ATOM 0 H GLU A 47 6.199 1.462 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 47 5.672 1.402 -11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.399 -0.275 -11.500 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.860 0.932 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.437 -0.492 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.387 -1.541 -9.425 1.00 0.00 H new ATOM 678 N ASN A 48 4.121 -0.820 -9.651 1.00 0.00 N ATOM 679 CA ASN A 48 3.121 -1.881 -9.683 1.00 0.00 C ATOM 680 C ASN A 48 1.720 -1.304 -9.856 1.00 0.00 C ATOM 681 O ASN A 48 0.867 -1.902 -10.512 1.00 0.00 O ATOM 682 CB ASN A 48 3.188 -2.713 -8.401 1.00 0.00 C ATOM 683 CG ASN A 48 4.556 -3.329 -8.182 1.00 0.00 C ATOM 684 OD1 ASN A 48 5.245 -3.693 -9.135 1.00 0.00 O ATOM 685 ND2 ASN A 48 4.955 -3.449 -6.921 1.00 0.00 N ATOM 0 H ASN A 48 4.319 -0.456 -8.719 1.00 0.00 H new ATOM 0 HA ASN A 48 3.337 -2.524 -10.536 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.936 -2.082 -7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.439 -3.504 -8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.866 -3.857 -6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.350 -3.133 -6.163 1.00 0.00 H new ATOM 692 N ALA A 49 1.490 -0.137 -9.263 1.00 0.00 N ATOM 693 CA ALA A 49 0.193 0.524 -9.354 1.00 0.00 C ATOM 694 C ALA A 49 -0.323 0.526 -10.789 1.00 0.00 C ATOM 695 O ALA A 49 -1.456 0.123 -11.052 1.00 0.00 O ATOM 696 CB ALA A 49 0.287 1.946 -8.823 1.00 0.00 C ATOM 0 H ALA A 49 2.184 0.370 -8.715 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.515 -0.035 -8.742 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.688 2.427 -8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.603 1.925 -7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.014 2.507 -9.411 1.00 0.00 H new ATOM 702 N VAL A 50 0.515 0.983 -11.714 1.00 0.00 N ATOM 703 CA VAL A 50 0.144 1.037 -13.123 1.00 0.00 C ATOM 704 C VAL A 50 -0.400 -0.305 -13.599 1.00 0.00 C ATOM 705 O VAL A 50 -1.175 -0.369 -14.554 1.00 0.00 O ATOM 706 CB VAL A 50 1.342 1.436 -14.004 1.00 0.00 C ATOM 707 CG1 VAL A 50 2.455 0.405 -13.891 1.00 0.00 C ATOM 708 CG2 VAL A 50 0.905 1.604 -15.451 1.00 0.00 C ATOM 0 H VAL A 50 1.456 1.321 -11.513 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.634 1.795 -13.217 1.00 0.00 H new ATOM 0 HB VAL A 50 1.728 2.392 -13.651 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.293 0.704 -14.521 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.785 0.338 -12.854 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.085 -0.567 -14.217 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.764 1.886 -16.060 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.493 0.664 -15.818 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.145 2.382 -15.513 1.00 0.00 H new ATOM 718 N ASP A 51 0.011 -1.376 -12.929 1.00 0.00 N ATOM 719 CA ASP A 51 -0.435 -2.718 -13.283 1.00 0.00 C ATOM 720 C ASP A 51 -1.614 -3.145 -12.414 1.00 0.00 C ATOM 721 O ASP A 51 -2.309 -4.113 -12.726 1.00 0.00 O ATOM 722 CB ASP A 51 0.713 -3.717 -13.133 1.00 0.00 C ATOM 723 CG ASP A 51 1.626 -3.735 -14.343 1.00 0.00 C ATOM 724 OD1 ASP A 51 2.031 -2.644 -14.798 1.00 0.00 O ATOM 725 OD2 ASP A 51 1.937 -4.840 -14.836 1.00 0.00 O ATOM 0 H ASP A 51 0.653 -1.341 -12.137 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.759 -2.704 -14.324 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.295 -3.467 -12.246 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.304 -4.715 -12.975 1.00 0.00 H new ATOM 730 N ILE A 52 -1.833 -2.418 -11.324 1.00 0.00 N ATOM 731 CA ILE A 52 -2.927 -2.722 -10.410 1.00 0.00 C ATOM 732 C ILE A 52 -4.227 -2.076 -10.876 1.00 0.00 C ATOM 733 O ILE A 52 -4.493 -0.910 -10.582 1.00 0.00 O ATOM 734 CB ILE A 52 -2.614 -2.247 -8.979 1.00 0.00 C ATOM 735 CG1 ILE A 52 -1.382 -2.972 -8.435 1.00 0.00 C ATOM 736 CG2 ILE A 52 -3.813 -2.476 -8.071 1.00 0.00 C ATOM 737 CD1 ILE A 52 -0.920 -2.455 -7.091 1.00 0.00 C ATOM 0 H ILE A 52 -1.267 -1.614 -11.052 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.044 -3.806 -10.406 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.401 -1.178 -9.006 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.605 -4.035 -8.349 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.567 -2.874 -9.152 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.576 -2.135 -7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.669 -1.918 -8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.054 -3.539 -8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.043 -3.015 -6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.665 -1.399 -7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.719 -2.578 -6.360 1.00 0.00 H new ATOM 749 N ASP A 53 -5.035 -2.841 -11.601 1.00 0.00 N ATOM 750 CA ASP A 53 -6.311 -2.345 -12.105 1.00 0.00 C ATOM 751 C ASP A 53 -7.240 -1.967 -10.955 1.00 0.00 C ATOM 752 O ASP A 53 -7.834 -0.889 -10.953 1.00 0.00 O ATOM 753 CB ASP A 53 -6.978 -3.397 -12.992 1.00 0.00 C ATOM 754 CG ASP A 53 -7.792 -2.779 -14.111 1.00 0.00 C ATOM 755 OD1 ASP A 53 -7.590 -1.581 -14.401 1.00 0.00 O ATOM 756 OD2 ASP A 53 -8.631 -3.494 -14.698 1.00 0.00 O ATOM 0 H ASP A 53 -4.829 -3.808 -11.853 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.116 -1.452 -12.699 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.213 -4.046 -13.419 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.625 -4.026 -12.381 1.00 0.00 H new ATOM 761 N ILE A 54 -7.360 -2.862 -9.981 1.00 0.00 N ATOM 762 CA ILE A 54 -8.217 -2.623 -8.826 1.00 0.00 C ATOM 763 C ILE A 54 -7.513 -3.010 -7.530 1.00 0.00 C ATOM 764 O ILE A 54 -7.452 -4.186 -7.171 1.00 0.00 O ATOM 765 CB ILE A 54 -9.538 -3.407 -8.933 1.00 0.00 C ATOM 766 CG1 ILE A 54 -10.218 -3.122 -10.274 1.00 0.00 C ATOM 767 CG2 ILE A 54 -10.461 -3.049 -7.778 1.00 0.00 C ATOM 768 CD1 ILE A 54 -11.572 -3.781 -10.417 1.00 0.00 C ATOM 0 H ILE A 54 -6.875 -3.759 -9.968 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.438 -1.556 -8.812 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.317 -4.473 -8.879 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.333 -2.045 -10.392 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.570 -3.464 -11.081 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.391 -3.611 -7.867 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.976 -3.298 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.679 -1.981 -7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.995 -3.536 -11.391 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.461 -4.862 -10.331 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.237 -3.421 -9.632 1.00 0.00 H new ATOM 780 N TYR A 55 -6.984 -2.012 -6.830 1.00 0.00 N ATOM 781 CA TYR A 55 -6.283 -2.248 -5.573 1.00 0.00 C ATOM 782 C TYR A 55 -7.256 -2.678 -4.480 1.00 0.00 C ATOM 783 O TYR A 55 -8.390 -2.202 -4.419 1.00 0.00 O ATOM 784 CB TYR A 55 -5.535 -0.987 -5.138 1.00 0.00 C ATOM 785 CG TYR A 55 -5.162 -0.979 -3.673 1.00 0.00 C ATOM 786 CD1 TYR A 55 -4.255 -1.899 -3.161 1.00 0.00 C ATOM 787 CD2 TYR A 55 -5.717 -0.051 -2.800 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.913 -1.896 -1.823 1.00 0.00 C ATOM 789 CE2 TYR A 55 -5.379 -0.039 -1.461 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.477 -0.964 -0.977 1.00 0.00 C ATOM 791 OH TYR A 55 -4.137 -0.956 0.357 1.00 0.00 O ATOM 0 H TYR A 55 -7.027 -1.033 -7.112 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.564 -3.052 -5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.629 -0.888 -5.735 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.154 -0.116 -5.351 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.810 -2.629 -3.821 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.425 0.673 -3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.208 -2.619 -1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.818 0.690 -0.797 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.691 -0.302 0.832 1.00 0.00 H new ATOM 801 N HIS A 56 -6.804 -3.582 -3.616 1.00 0.00 N ATOM 802 CA HIS A 56 -7.633 -4.076 -2.522 1.00 0.00 C ATOM 803 C HIS A 56 -6.993 -3.766 -1.173 1.00 0.00 C ATOM 804 O HIS A 56 -5.997 -4.380 -0.790 1.00 0.00 O ATOM 805 CB HIS A 56 -7.852 -5.583 -2.662 1.00 0.00 C ATOM 806 CG HIS A 56 -8.995 -5.941 -3.561 1.00 0.00 C ATOM 807 ND1 HIS A 56 -9.522 -7.213 -3.637 1.00 0.00 N ATOM 808 CD2 HIS A 56 -9.713 -5.185 -4.424 1.00 0.00 C ATOM 809 CE1 HIS A 56 -10.514 -7.224 -4.510 1.00 0.00 C ATOM 810 NE2 HIS A 56 -10.651 -6.006 -5.001 1.00 0.00 N ATOM 0 H HIS A 56 -5.869 -3.987 -3.652 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.597 -3.570 -2.571 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.941 -6.040 -3.047 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.030 -6.009 -1.675 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.574 -4.132 -4.622 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -11.111 -8.083 -4.777 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -11.341 -5.721 -5.696 1.00 0.00 H new ATOM 819 N CYS A 57 -7.572 -2.809 -0.455 1.00 0.00 N ATOM 820 CA CYS A 57 -7.059 -2.415 0.851 1.00 0.00 C ATOM 821 C CYS A 57 -6.765 -3.641 1.712 1.00 0.00 C ATOM 822 O CYS A 57 -7.295 -4.730 1.487 1.00 0.00 O ATOM 823 CB CYS A 57 -8.062 -1.506 1.564 1.00 0.00 C ATOM 824 SG CYS A 57 -9.501 -2.384 2.255 1.00 0.00 S ATOM 0 H CYS A 57 -8.398 -2.292 -0.757 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.129 -1.868 0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.550 -0.979 2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.414 -0.750 0.862 1.00 0.00 H new ATOM 829 N PRO A 58 -5.902 -3.461 2.722 1.00 0.00 N ATOM 830 CA PRO A 58 -5.519 -4.540 3.638 1.00 0.00 C ATOM 831 C PRO A 58 -6.662 -4.952 4.559 1.00 0.00 C ATOM 832 O PRO A 58 -6.484 -5.779 5.454 1.00 0.00 O ATOM 833 CB PRO A 58 -4.373 -3.928 4.448 1.00 0.00 C ATOM 834 CG PRO A 58 -4.613 -2.459 4.393 1.00 0.00 C ATOM 835 CD PRO A 58 -5.233 -2.191 3.049 1.00 0.00 C ATOM 0 HA PRO A 58 -5.243 -5.449 3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.376 -4.291 5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.404 -4.187 4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.275 -2.141 5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.681 -1.907 4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.941 -1.363 3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.481 -1.930 2.305 1.00 0.00 H new ATOM 843 N ASP A 59 -7.835 -4.371 4.334 1.00 0.00 N ATOM 844 CA ASP A 59 -9.008 -4.679 5.143 1.00 0.00 C ATOM 845 C ASP A 59 -10.004 -5.526 4.357 1.00 0.00 C ATOM 846 O ASP A 59 -10.810 -6.255 4.936 1.00 0.00 O ATOM 847 CB ASP A 59 -9.680 -3.389 5.618 1.00 0.00 C ATOM 848 CG ASP A 59 -10.345 -3.547 6.971 1.00 0.00 C ATOM 849 OD1 ASP A 59 -11.209 -4.439 7.108 1.00 0.00 O ATOM 850 OD2 ASP A 59 -10.000 -2.780 7.894 1.00 0.00 O ATOM 0 H ASP A 59 -7.999 -3.684 3.598 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.679 -5.250 6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.936 -2.594 5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.424 -3.079 4.885 1.00 0.00 H new ATOM 855 N CYS A 60 -9.944 -5.423 3.033 1.00 0.00 N ATOM 856 CA CYS A 60 -10.841 -6.178 2.166 1.00 0.00 C ATOM 857 C CYS A 60 -10.205 -7.498 1.742 1.00 0.00 C ATOM 858 O CYS A 60 -10.896 -8.499 1.553 1.00 0.00 O ATOM 859 CB CYS A 60 -11.201 -5.353 0.929 1.00 0.00 C ATOM 860 SG CYS A 60 -12.172 -3.854 1.291 1.00 0.00 S ATOM 0 H CYS A 60 -9.284 -4.824 2.537 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.750 -6.397 2.727 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.282 -5.063 0.419 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -11.765 -5.980 0.239 1.00 0.00 H new ATOM 865 N GLU A 61 -8.883 -7.493 1.596 1.00 0.00 N ATOM 866 CA GLU A 61 -8.154 -8.690 1.195 1.00 0.00 C ATOM 867 C GLU A 61 -8.381 -9.824 2.190 1.00 0.00 C ATOM 868 O GLU A 61 -8.017 -10.971 1.933 1.00 0.00 O ATOM 869 CB GLU A 61 -6.659 -8.389 1.080 1.00 0.00 C ATOM 870 CG GLU A 61 -5.812 -9.615 0.779 1.00 0.00 C ATOM 871 CD GLU A 61 -4.340 -9.285 0.631 1.00 0.00 C ATOM 872 OE1 GLU A 61 -4.008 -8.418 -0.205 1.00 0.00 O ATOM 873 OE2 GLU A 61 -3.520 -9.892 1.350 1.00 0.00 O ATOM 0 H GLU A 61 -8.296 -6.673 1.750 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.530 -9.004 0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.505 -7.650 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.315 -7.940 2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.938 -10.344 1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.170 -10.083 -0.138 1.00 0.00 H new ATOM 880 N ALA A 62 -8.985 -9.494 3.327 1.00 0.00 N ATOM 881 CA ALA A 62 -9.262 -10.484 4.360 1.00 0.00 C ATOM 882 C ALA A 62 -10.575 -11.210 4.087 1.00 0.00 C ATOM 883 O ALA A 62 -10.915 -12.177 4.769 1.00 0.00 O ATOM 884 CB ALA A 62 -9.298 -9.822 5.730 1.00 0.00 C ATOM 0 H ALA A 62 -9.292 -8.549 3.556 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.459 -11.221 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.506 -10.573 6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.334 -9.355 5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.080 -9.063 5.747 1.00 0.00 H new ATOM 890 N VAL A 63 -11.310 -10.737 3.085 1.00 0.00 N ATOM 891 CA VAL A 63 -12.586 -11.342 2.722 1.00 0.00 C ATOM 892 C VAL A 63 -12.688 -11.545 1.214 1.00 0.00 C ATOM 893 O VAL A 63 -13.065 -12.620 0.746 1.00 0.00 O ATOM 894 CB VAL A 63 -13.771 -10.478 3.194 1.00 0.00 C ATOM 895 CG1 VAL A 63 -15.084 -11.223 3.004 1.00 0.00 C ATOM 896 CG2 VAL A 63 -13.586 -10.069 4.647 1.00 0.00 C ATOM 0 H VAL A 63 -11.044 -9.937 2.511 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.631 -12.310 3.220 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.803 -9.573 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.910 -10.597 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -15.218 -11.461 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -15.066 -12.146 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -14.432 -9.459 4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.527 -10.961 5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.666 -9.494 4.749 1.00 0.00 H new ATOM 906 N PHE A 64 -12.349 -10.506 0.458 1.00 0.00 N ATOM 907 CA PHE A 64 -12.403 -10.570 -0.997 1.00 0.00 C ATOM 908 C PHE A 64 -11.217 -11.355 -1.552 1.00 0.00 C ATOM 909 O PHE A 64 -11.388 -12.288 -2.334 1.00 0.00 O ATOM 910 CB PHE A 64 -12.418 -9.160 -1.591 1.00 0.00 C ATOM 911 CG PHE A 64 -13.748 -8.473 -1.471 1.00 0.00 C ATOM 912 CD1 PHE A 64 -14.122 -7.860 -0.286 1.00 0.00 C ATOM 913 CD2 PHE A 64 -14.625 -8.440 -2.544 1.00 0.00 C ATOM 914 CE1 PHE A 64 -15.345 -7.226 -0.173 1.00 0.00 C ATOM 915 CE2 PHE A 64 -15.849 -7.808 -2.436 1.00 0.00 C ATOM 916 CZ PHE A 64 -16.210 -7.202 -1.249 1.00 0.00 C ATOM 0 H PHE A 64 -12.034 -9.610 0.829 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.321 -11.085 -1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.660 -8.556 -1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.140 -9.215 -2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -13.450 -7.878 0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -14.349 -8.913 -3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -15.624 -6.750 0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -16.523 -7.788 -3.280 1.00 0.00 H new ATOM 0 HZ PHE A 64 -17.167 -6.710 -1.162 1.00 0.00 H new ATOM 926 N GLY A 65 -10.014 -10.967 -1.139 1.00 0.00 N ATOM 927 CA GLY A 65 -8.817 -11.644 -1.605 1.00 0.00 C ATOM 928 C GLY A 65 -7.768 -10.678 -2.119 1.00 0.00 C ATOM 929 O GLY A 65 -7.677 -9.533 -1.676 1.00 0.00 O ATOM 0 H GLY A 65 -9.847 -10.197 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.396 -12.233 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.084 -12.342 -2.398 1.00 0.00 H new ATOM 933 N PRO A 66 -6.950 -11.141 -3.076 1.00 0.00 N ATOM 934 CA PRO A 66 -5.887 -10.326 -3.670 1.00 0.00 C ATOM 935 C PRO A 66 -6.436 -9.205 -4.546 1.00 0.00 C ATOM 936 O PRO A 66 -7.620 -9.192 -4.884 1.00 0.00 O ATOM 937 CB PRO A 66 -5.102 -11.331 -4.518 1.00 0.00 C ATOM 938 CG PRO A 66 -6.084 -12.404 -4.839 1.00 0.00 C ATOM 939 CD PRO A 66 -7.001 -12.496 -3.651 1.00 0.00 C ATOM 0 HA PRO A 66 -5.286 -9.825 -2.911 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.713 -10.866 -5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.247 -11.728 -3.971 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.641 -12.164 -5.744 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.580 -13.354 -5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.014 -12.770 -3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.662 -13.248 -2.939 1.00 0.00 H new ATOM 947 N SER A 67 -5.569 -8.266 -4.910 1.00 0.00 N ATOM 948 CA SER A 67 -5.968 -7.139 -5.744 1.00 0.00 C ATOM 949 C SER A 67 -5.920 -7.512 -7.222 1.00 0.00 C ATOM 950 O SER A 67 -5.016 -8.221 -7.665 1.00 0.00 O ATOM 951 CB SER A 67 -5.061 -5.935 -5.481 1.00 0.00 C ATOM 952 OG SER A 67 -4.968 -5.661 -4.094 1.00 0.00 O ATOM 0 H SER A 67 -4.585 -8.263 -4.640 1.00 0.00 H new ATOM 0 HA SER A 67 -6.994 -6.875 -5.487 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.067 -6.129 -5.884 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.451 -5.061 -6.002 1.00 0.00 H new ATOM 0 HG SER A 67 -4.275 -4.986 -3.940 1.00 0.00 H new ATOM 958 N ILE A 68 -6.900 -7.031 -7.980 1.00 0.00 N ATOM 959 CA ILE A 68 -6.970 -7.313 -9.408 1.00 0.00 C ATOM 960 C ILE A 68 -5.830 -6.633 -10.159 1.00 0.00 C ATOM 961 O ILE A 68 -5.224 -5.685 -9.661 1.00 0.00 O ATOM 962 CB ILE A 68 -8.312 -6.853 -10.008 1.00 0.00 C ATOM 963 CG1 ILE A 68 -9.475 -7.334 -9.139 1.00 0.00 C ATOM 964 CG2 ILE A 68 -8.459 -7.367 -11.432 1.00 0.00 C ATOM 965 CD1 ILE A 68 -9.551 -8.840 -9.010 1.00 0.00 C ATOM 0 H ILE A 68 -7.656 -6.444 -7.628 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.883 -8.394 -9.521 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.328 -5.763 -10.033 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.380 -6.897 -8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.410 -6.966 -9.561 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.412 -7.034 -11.843 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.645 -6.980 -12.045 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.425 -8.456 -11.431 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.399 -9.109 -8.380 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.677 -9.284 -9.998 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.632 -9.213 -8.559 1.00 0.00 H new ATOM 977 N MET A 69 -5.546 -7.122 -11.362 1.00 0.00 N ATOM 978 CA MET A 69 -4.481 -6.559 -12.183 1.00 0.00 C ATOM 979 C MET A 69 -4.996 -6.209 -13.576 1.00 0.00 C ATOM 980 O MET A 69 -5.890 -6.871 -14.103 1.00 0.00 O ATOM 981 CB MET A 69 -3.315 -7.544 -12.290 1.00 0.00 C ATOM 982 CG MET A 69 -2.546 -7.719 -10.991 1.00 0.00 C ATOM 983 SD MET A 69 -0.809 -8.118 -11.260 1.00 0.00 S ATOM 984 CE MET A 69 -0.024 -6.608 -10.702 1.00 0.00 C ATOM 0 H MET A 69 -6.038 -7.906 -11.789 1.00 0.00 H new ATOM 0 HA MET A 69 -4.131 -5.645 -11.704 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.697 -8.513 -12.610 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.630 -7.200 -13.065 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.618 -6.803 -10.405 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.010 -8.511 -10.403 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.999 -6.571 -11.075 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.579 -5.749 -11.078 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.014 -6.584 -9.612 1.00 0.00 H new ATOM 994 N LYS A 70 -4.426 -5.164 -14.167 1.00 0.00 N ATOM 995 CA LYS A 70 -4.827 -4.726 -15.499 1.00 0.00 C ATOM 996 C LYS A 70 -4.545 -5.809 -16.535 1.00 0.00 C ATOM 997 O LYS A 70 -4.072 -6.894 -16.200 1.00 0.00 O ATOM 998 CB LYS A 70 -4.090 -3.439 -15.878 1.00 0.00 C ATOM 999 CG LYS A 70 -4.269 -2.316 -14.870 1.00 0.00 C ATOM 1000 CD LYS A 70 -3.908 -0.967 -15.469 1.00 0.00 C ATOM 1001 CE LYS A 70 -3.844 0.116 -14.403 1.00 0.00 C ATOM 1002 NZ LYS A 70 -3.358 1.410 -14.956 1.00 0.00 N ATOM 0 H LYS A 70 -3.685 -4.605 -13.745 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.900 -4.533 -15.484 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.027 -3.656 -15.982 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.443 -3.101 -16.852 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.303 -2.297 -14.525 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.645 -2.506 -13.997 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.945 -1.038 -15.975 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.646 -0.693 -16.224 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.833 0.256 -13.967 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.184 -0.206 -13.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.565 2.175 -14.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.332 1.356 -15.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.838 1.604 -15.858 1.00 0.00 H new ATOM 1016 N ASN A 71 -4.838 -5.506 -17.796 1.00 0.00 N ATOM 1017 CA ASN A 71 -4.615 -6.454 -18.881 1.00 0.00 C ATOM 1018 C ASN A 71 -3.745 -5.837 -19.973 1.00 0.00 C ATOM 1019 O ASN A 71 -3.974 -6.057 -21.162 1.00 0.00 O ATOM 1020 CB ASN A 71 -5.951 -6.907 -19.474 1.00 0.00 C ATOM 1021 CG ASN A 71 -5.776 -7.918 -20.590 1.00 0.00 C ATOM 1022 OD1 ASN A 71 -5.393 -9.063 -20.351 1.00 0.00 O ATOM 1023 ND2 ASN A 71 -6.056 -7.498 -21.818 1.00 0.00 N ATOM 0 H ASN A 71 -5.230 -4.612 -18.091 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.094 -7.320 -18.472 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.566 -7.343 -18.686 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.489 -6.039 -19.855 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.956 -8.134 -22.609 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.371 -6.540 -21.970 1.00 0.00 H new ATOM 1030 N TRP A 72 -2.746 -5.066 -19.559 1.00 0.00 N ATOM 1031 CA TRP A 72 -1.841 -4.417 -20.501 1.00 0.00 C ATOM 1032 C TRP A 72 -0.521 -4.058 -19.829 1.00 0.00 C ATOM 1033 O TRP A 72 -0.478 -3.790 -18.628 1.00 0.00 O ATOM 1034 CB TRP A 72 -2.491 -3.160 -21.082 1.00 0.00 C ATOM 1035 CG TRP A 72 -2.713 -2.083 -20.064 1.00 0.00 C ATOM 1036 CD1 TRP A 72 -3.866 -1.830 -19.377 1.00 0.00 C ATOM 1037 CD2 TRP A 72 -1.758 -1.112 -19.621 1.00 0.00 C ATOM 1038 NE1 TRP A 72 -3.685 -0.760 -18.533 1.00 0.00 N ATOM 1039 CE2 TRP A 72 -2.401 -0.303 -18.663 1.00 0.00 C ATOM 1040 CE3 TRP A 72 -0.423 -0.850 -19.938 1.00 0.00 C ATOM 1041 CZ2 TRP A 72 -1.752 0.750 -18.023 1.00 0.00 C ATOM 1042 CZ3 TRP A 72 0.219 0.196 -19.302 1.00 0.00 C ATOM 1043 CH2 TRP A 72 -0.445 0.984 -18.353 1.00 0.00 C ATOM 0 H TRP A 72 -2.542 -4.875 -18.578 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.636 -5.118 -21.310 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -1.861 -2.770 -21.882 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.447 -3.428 -21.531 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -4.785 -2.388 -19.481 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.393 -0.370 -17.911 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.098 -1.454 -20.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -2.262 1.360 -17.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.250 0.409 -19.541 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.086 1.793 -17.872 1.00 0.00 H new ATOM 1054 N HIS A 73 0.555 -4.054 -20.610 1.00 0.00 N ATOM 1055 CA HIS A 73 1.877 -3.726 -20.088 1.00 0.00 C ATOM 1056 C HIS A 73 2.692 -2.953 -21.121 1.00 0.00 C ATOM 1057 O HIS A 73 2.302 -2.852 -22.284 1.00 0.00 O ATOM 1058 CB HIS A 73 2.620 -5.000 -19.686 1.00 0.00 C ATOM 1059 CG HIS A 73 3.015 -5.856 -20.849 1.00 0.00 C ATOM 1060 ND1 HIS A 73 4.328 -6.073 -21.212 1.00 0.00 N ATOM 1061 CD2 HIS A 73 2.262 -6.552 -21.733 1.00 0.00 C ATOM 1062 CE1 HIS A 73 4.365 -6.864 -22.270 1.00 0.00 C ATOM 1063 NE2 HIS A 73 3.124 -7.170 -22.605 1.00 0.00 N ATOM 0 H HIS A 73 0.537 -4.274 -21.606 1.00 0.00 H new ATOM 0 HA HIS A 73 1.747 -3.097 -19.208 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.514 -4.727 -19.126 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.989 -5.582 -19.015 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.184 -6.610 -21.749 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.258 -7.203 -22.775 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.851 -7.768 -23.385 1.00 0.00 H new ATOM 1072 N SER A 74 3.823 -2.407 -20.687 1.00 0.00 N ATOM 1073 CA SER A 74 4.690 -1.639 -21.572 1.00 0.00 C ATOM 1074 C SER A 74 6.154 -1.799 -21.172 1.00 0.00 C ATOM 1075 O SER A 74 6.462 -2.246 -20.068 1.00 0.00 O ATOM 1076 CB SER A 74 4.302 -0.160 -21.544 1.00 0.00 C ATOM 1077 OG SER A 74 4.859 0.535 -22.646 1.00 0.00 O ATOM 0 H SER A 74 4.160 -2.482 -19.727 1.00 0.00 H new ATOM 0 HA SER A 74 4.564 -2.022 -22.585 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.216 -0.065 -21.562 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.646 0.292 -20.614 1.00 0.00 H new ATOM 0 HG SER A 74 4.595 1.478 -22.606 1.00 0.00 H new ATOM 1083 N GLY A 75 7.053 -1.431 -22.081 1.00 0.00 N ATOM 1084 CA GLY A 75 8.473 -1.542 -21.806 1.00 0.00 C ATOM 1085 C GLY A 75 8.826 -1.117 -20.394 1.00 0.00 C ATOM 1086 O GLY A 75 8.819 0.068 -20.060 1.00 0.00 O ATOM 0 H GLY A 75 6.823 -1.058 -23.002 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.790 -2.573 -21.962 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.026 -0.927 -22.516 1.00 0.00 H new ATOM 1090 N PRO A 76 9.140 -2.099 -19.537 1.00 0.00 N ATOM 1091 CA PRO A 76 9.501 -1.845 -18.139 1.00 0.00 C ATOM 1092 C PRO A 76 10.858 -1.160 -18.006 1.00 0.00 C ATOM 1093 O PRO A 76 11.625 -1.090 -18.966 1.00 0.00 O ATOM 1094 CB PRO A 76 9.547 -3.246 -17.524 1.00 0.00 C ATOM 1095 CG PRO A 76 9.835 -4.153 -18.669 1.00 0.00 C ATOM 1096 CD PRO A 76 9.169 -3.534 -19.866 1.00 0.00 C ATOM 0 HA PRO A 76 8.794 -1.174 -17.651 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.320 -3.317 -16.759 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.601 -3.500 -17.046 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.909 -4.252 -18.828 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.447 -5.154 -18.481 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.729 -3.725 -20.781 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.166 -3.932 -20.018 1.00 0.00 H new ATOM 1104 N SER A 77 11.147 -0.658 -16.810 1.00 0.00 N ATOM 1105 CA SER A 77 12.410 0.024 -16.552 1.00 0.00 C ATOM 1106 C SER A 77 13.259 -0.763 -15.559 1.00 0.00 C ATOM 1107 O SER A 77 13.931 -0.184 -14.705 1.00 0.00 O ATOM 1108 CB SER A 77 12.152 1.434 -16.016 1.00 0.00 C ATOM 1109 OG SER A 77 11.370 1.395 -14.835 1.00 0.00 O ATOM 0 H SER A 77 10.524 -0.711 -16.004 1.00 0.00 H new ATOM 0 HA SER A 77 12.956 0.095 -17.493 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.102 1.928 -15.811 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.641 2.027 -16.775 1.00 0.00 H new ATOM 0 HG SER A 77 11.220 2.308 -14.511 1.00 0.00 H new ATOM 1115 N SER A 78 13.224 -2.086 -15.678 1.00 0.00 N ATOM 1116 CA SER A 78 13.987 -2.954 -14.789 1.00 0.00 C ATOM 1117 C SER A 78 15.477 -2.883 -15.108 1.00 0.00 C ATOM 1118 O SER A 78 15.881 -2.984 -16.266 1.00 0.00 O ATOM 1119 CB SER A 78 13.496 -4.398 -14.907 1.00 0.00 C ATOM 1120 OG SER A 78 13.828 -5.146 -13.749 1.00 0.00 O ATOM 0 H SER A 78 12.675 -2.580 -16.381 1.00 0.00 H new ATOM 0 HA SER A 78 13.836 -2.609 -13.766 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.416 -4.407 -15.053 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.940 -4.866 -15.786 1.00 0.00 H new ATOM 0 HG SER A 78 13.502 -6.065 -13.848 1.00 0.00 H new ATOM 1126 N GLY A 79 16.291 -2.710 -14.071 1.00 0.00 N ATOM 1127 CA GLY A 79 17.727 -2.628 -14.260 1.00 0.00 C ATOM 1128 C GLY A 79 18.498 -3.336 -13.163 1.00 0.00 C ATOM 1129 O GLY A 79 18.387 -4.555 -13.044 1.00 0.00 O ATOM 0 H GLY A 79 15.981 -2.625 -13.103 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.989 -3.065 -15.224 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.027 -1.581 -14.293 1.00 0.00 H new TER 1133 GLY A 79 HETATM 1134 ZN ZN A 201 0.157 5.160 6.023 1.00 0.00 ZN HETATM 1135 ZN ZN A 401 -11.201 -1.824 0.776 1.00 0.00 ZN