USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 602 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 40 CYS SG : rot -159:sc= 1.09 USER MOD Set 1.2: A 43 CYS SG : rot -93:sc= -1.69 USER MOD Set 1.3: A 70 CYS SG : rot -77:sc= 1.4 USER MOD Set 1.4: A 73 CYS SG : rot -25:sc= -0.701 USER MOD Set 2.1: A 24 CYS SG : rot -140:sc= -1.01 USER MOD Set 2.2: A 27 CYS SG : rot 180:sc= -1.12 USER MOD Set 2.3: A 29 CYS SG : rot -95:sc= -1.33! USER MOD Set 2.4: A 48 CYS SG : rot -146:sc= 0.411 USER MOD Set 2.5: A 51 CYS SG : rot 104:sc= 1.06 USER MOD Set 3.1: A 16 GLN : amide:sc= -2.09 X(o=-3.9,f=-3.8) USER MOD Set 3.2: A 25 ASN : amide:sc= -1.81! X(o=-3.9!,f=-3.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -164:sc= -0.0443 (180deg=-0.397) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0935 X(o=-0.094,f=-0.1) USER MOD Single : A 39 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.47) USER MOD Single : A 42 ASN : amide:sc= -21.5! C(o=-22!,f=-26!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -88:sc= 1.26 USER MOD Single : A 54 HIS : no HD1:sc= -0.599 K(o=-0.6,f=0.15) USER MOD Single : A 60 MET CE :methyl -137:sc= -0.944 (180deg=-2.6!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -28:sc= 1.07 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 82 MET CE :methyl -162:sc= -0.143 (180deg=-0.674) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.746 21.535 0.761 1.00 0.00 N ATOM 2 CA GLY A 1 -12.538 20.704 1.022 1.00 0.00 C ATOM 3 C GLY A 1 -11.484 20.855 -0.060 1.00 0.00 C ATOM 4 O GLY A 1 -11.039 21.967 -0.343 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.435 21.397 1.528 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.474 22.538 0.717 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.173 21.252 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.109 20.984 1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.831 19.657 1.096 1.00 0.00 H new ATOM 10 N PRO A 2 -11.063 19.743 -0.687 1.00 0.00 N ATOM 11 CA PRO A 2 -10.049 19.764 -1.748 1.00 0.00 C ATOM 12 C PRO A 2 -10.451 20.657 -2.918 1.00 0.00 C ATOM 13 O PRO A 2 -11.636 20.823 -3.207 1.00 0.00 O ATOM 14 CB PRO A 2 -9.956 18.298 -2.198 1.00 0.00 C ATOM 15 CG PRO A 2 -11.191 17.648 -1.675 1.00 0.00 C ATOM 16 CD PRO A 2 -11.539 18.380 -0.414 1.00 0.00 C ATOM 0 HA PRO A 2 -9.102 20.170 -1.391 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.901 18.222 -3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.061 17.820 -1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.003 17.711 -2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.022 16.589 -1.478 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.611 18.358 -0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.045 17.946 0.455 1.00 0.00 H new ATOM 24 N LEU A 3 -9.453 21.230 -3.585 1.00 0.00 N ATOM 25 CA LEU A 3 -9.695 22.108 -4.723 1.00 0.00 C ATOM 26 C LEU A 3 -9.863 21.298 -6.004 1.00 0.00 C ATOM 27 O LEU A 3 -9.172 20.301 -6.214 1.00 0.00 O ATOM 28 CB LEU A 3 -8.536 23.097 -4.880 1.00 0.00 C ATOM 29 CG LEU A 3 -8.203 23.914 -3.629 1.00 0.00 C ATOM 30 CD1 LEU A 3 -7.114 24.932 -3.928 1.00 0.00 C ATOM 31 CD2 LEU A 3 -9.449 24.606 -3.093 1.00 0.00 C ATOM 0 H LEU A 3 -8.468 21.101 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.616 22.661 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.646 22.544 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.774 23.785 -5.691 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.834 23.231 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.892 25.503 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.214 24.415 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.454 25.609 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.192 25.182 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.850 25.275 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.199 23.858 -2.836 1.00 0.00 H new ATOM 43 N GLY A 4 -10.785 21.733 -6.857 1.00 0.00 N ATOM 44 CA GLY A 4 -11.029 21.035 -8.107 1.00 0.00 C ATOM 45 C GLY A 4 -11.685 19.683 -7.898 1.00 0.00 C ATOM 46 O GLY A 4 -12.604 19.548 -7.090 1.00 0.00 O ATOM 0 H GLY A 4 -11.368 22.556 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.665 21.649 -8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.085 20.900 -8.634 1.00 0.00 H new ATOM 50 N SER A 5 -11.213 18.680 -8.631 1.00 0.00 N ATOM 51 CA SER A 5 -11.761 17.334 -8.525 1.00 0.00 C ATOM 52 C SER A 5 -10.656 16.314 -8.259 1.00 0.00 C ATOM 53 O SER A 5 -9.496 16.536 -8.604 1.00 0.00 O ATOM 54 CB SER A 5 -12.517 16.968 -9.804 1.00 0.00 C ATOM 55 OG SER A 5 -11.643 16.918 -10.919 1.00 0.00 O ATOM 0 H SER A 5 -10.453 18.774 -9.304 1.00 0.00 H new ATOM 0 HA SER A 5 -12.454 17.315 -7.684 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.005 16.002 -9.677 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.303 17.700 -9.987 1.00 0.00 H new ATOM 0 HG SER A 5 -12.151 16.680 -11.723 1.00 0.00 H new ATOM 61 N MET A 6 -11.028 15.196 -7.644 1.00 0.00 N ATOM 62 CA MET A 6 -10.072 14.140 -7.330 1.00 0.00 C ATOM 63 C MET A 6 -10.337 12.898 -8.175 1.00 0.00 C ATOM 64 O MET A 6 -11.475 12.442 -8.283 1.00 0.00 O ATOM 65 CB MET A 6 -10.148 13.782 -5.846 1.00 0.00 C ATOM 66 CG MET A 6 -9.068 12.809 -5.400 1.00 0.00 C ATOM 67 SD MET A 6 -9.280 12.268 -3.692 1.00 0.00 S ATOM 68 CE MET A 6 -9.075 13.819 -2.820 1.00 0.00 C ATOM 0 H MET A 6 -11.985 14.998 -7.353 1.00 0.00 H new ATOM 0 HA MET A 6 -9.072 14.509 -7.559 1.00 0.00 H new ATOM 0 HB2 MET A 6 -10.069 14.695 -5.256 1.00 0.00 H new ATOM 0 HB3 MET A 6 -11.126 13.349 -5.635 1.00 0.00 H new ATOM 0 HG2 MET A 6 -9.076 11.939 -6.056 1.00 0.00 H new ATOM 0 HG3 MET A 6 -8.092 13.281 -5.509 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.895 13.621 -1.763 1.00 0.00 H new ATOM 0 HE2 MET A 6 -8.227 14.362 -3.238 1.00 0.00 H new ATOM 0 HE3 MET A 6 -9.979 14.419 -2.928 1.00 0.00 H new ATOM 78 N GLY A 7 -9.280 12.352 -8.768 1.00 0.00 N ATOM 79 CA GLY A 7 -9.425 11.164 -9.589 1.00 0.00 C ATOM 80 C GLY A 7 -9.421 9.889 -8.767 1.00 0.00 C ATOM 81 O GLY A 7 -8.488 9.640 -8.003 1.00 0.00 O ATOM 0 H GLY A 7 -8.328 12.710 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.356 11.227 -10.153 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.614 11.127 -10.316 1.00 0.00 H new ATOM 85 N GLU A 8 -10.466 9.084 -8.919 1.00 0.00 N ATOM 86 CA GLU A 8 -10.581 7.832 -8.179 1.00 0.00 C ATOM 87 C GLU A 8 -9.591 6.795 -8.689 1.00 0.00 C ATOM 88 O GLU A 8 -9.405 5.750 -8.066 1.00 0.00 O ATOM 89 CB GLU A 8 -12.009 7.291 -8.253 1.00 0.00 C ATOM 90 CG GLU A 8 -13.045 8.247 -7.684 1.00 0.00 C ATOM 91 CD GLU A 8 -14.439 7.653 -7.656 1.00 0.00 C ATOM 92 OE1 GLU A 8 -14.613 6.523 -8.156 1.00 0.00 O ATOM 93 OE2 GLU A 8 -15.357 8.321 -7.133 1.00 0.00 O ATOM 0 H GLU A 8 -11.246 9.275 -9.548 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.341 8.039 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.255 7.076 -9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.061 6.346 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.755 8.530 -6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.056 9.160 -8.279 1.00 0.00 H new ATOM 100 N LYS A 9 -8.931 7.092 -9.804 1.00 0.00 N ATOM 101 CA LYS A 9 -7.939 6.177 -10.348 1.00 0.00 C ATOM 102 C LYS A 9 -6.843 5.955 -9.311 1.00 0.00 C ATOM 103 O LYS A 9 -6.006 5.061 -9.447 1.00 0.00 O ATOM 104 CB LYS A 9 -7.341 6.726 -11.646 1.00 0.00 C ATOM 105 CG LYS A 9 -6.422 5.740 -12.353 1.00 0.00 C ATOM 106 CD LYS A 9 -5.834 6.333 -13.625 1.00 0.00 C ATOM 107 CE LYS A 9 -5.001 5.310 -14.384 1.00 0.00 C ATOM 108 NZ LYS A 9 -3.553 5.656 -14.379 1.00 0.00 N ATOM 0 H LYS A 9 -9.064 7.949 -10.342 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.421 5.227 -10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.150 7.005 -12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.783 7.636 -11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.615 5.448 -11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.978 4.834 -12.596 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.639 6.695 -14.265 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.215 7.194 -13.374 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.140 4.326 -13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.355 5.246 -15.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.022 4.934 -14.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.416 6.584 -14.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.208 5.692 -13.399 1.00 0.00 H new ATOM 122 N GLN A 10 -6.869 6.782 -8.266 1.00 0.00 N ATOM 123 CA GLN A 10 -5.902 6.701 -7.185 1.00 0.00 C ATOM 124 C GLN A 10 -6.039 5.386 -6.426 1.00 0.00 C ATOM 125 O GLN A 10 -7.117 5.048 -5.939 1.00 0.00 O ATOM 126 CB GLN A 10 -6.123 7.875 -6.230 1.00 0.00 C ATOM 127 CG GLN A 10 -5.212 7.862 -5.016 1.00 0.00 C ATOM 128 CD GLN A 10 -5.478 9.028 -4.086 1.00 0.00 C ATOM 129 OE1 GLN A 10 -6.150 9.991 -4.457 1.00 0.00 O ATOM 130 NE2 GLN A 10 -4.964 8.944 -2.865 1.00 0.00 N ATOM 0 H GLN A 10 -7.561 7.523 -8.150 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.898 6.745 -7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.972 8.807 -6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.160 7.867 -5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.349 6.927 -4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.173 7.891 -5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.413 8.128 -2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.120 9.695 -2.193 1.00 0.00 H new ATOM 139 N SER A 11 -4.938 4.652 -6.328 1.00 0.00 N ATOM 140 CA SER A 11 -4.931 3.377 -5.624 1.00 0.00 C ATOM 141 C SER A 11 -3.781 3.315 -4.625 1.00 0.00 C ATOM 142 O SER A 11 -2.716 3.888 -4.856 1.00 0.00 O ATOM 143 CB SER A 11 -4.818 2.220 -6.620 1.00 0.00 C ATOM 144 OG SER A 11 -5.942 2.175 -7.482 1.00 0.00 O ATOM 0 H SER A 11 -4.038 4.918 -6.728 1.00 0.00 H new ATOM 0 HA SER A 11 -5.870 3.287 -5.078 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.908 2.332 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.733 1.278 -6.079 1.00 0.00 H new ATOM 0 HG SER A 11 -5.844 1.428 -8.109 1.00 0.00 H new ATOM 150 N LYS A 12 -3.998 2.614 -3.519 1.00 0.00 N ATOM 151 CA LYS A 12 -2.970 2.477 -2.496 1.00 0.00 C ATOM 152 C LYS A 12 -1.731 1.811 -3.084 1.00 0.00 C ATOM 153 O LYS A 12 -0.603 2.103 -2.687 1.00 0.00 O ATOM 154 CB LYS A 12 -3.500 1.659 -1.316 1.00 0.00 C ATOM 155 CG LYS A 12 -4.782 2.218 -0.722 1.00 0.00 C ATOM 156 CD LYS A 12 -4.580 3.622 -0.175 1.00 0.00 C ATOM 157 CE LYS A 12 -5.849 4.159 0.466 1.00 0.00 C ATOM 158 NZ LYS A 12 -6.674 4.933 -0.503 1.00 0.00 N ATOM 0 H LYS A 12 -4.873 2.134 -3.308 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.699 3.470 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.677 0.635 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.736 1.618 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.561 2.233 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.130 1.562 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.775 3.615 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.269 4.286 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.435 3.330 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.588 4.796 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.531 5.283 -0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.123 5.739 -0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.945 4.318 -1.297 1.00 0.00 H new ATOM 172 N GLY A 13 -1.957 0.915 -4.041 1.00 0.00 N ATOM 173 CA GLY A 13 -0.864 0.213 -4.689 1.00 0.00 C ATOM 174 C GLY A 13 -1.339 -0.603 -5.877 1.00 0.00 C ATOM 175 O GLY A 13 -2.442 -1.151 -5.857 1.00 0.00 O ATOM 0 H GLY A 13 -2.885 0.662 -4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.116 0.933 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.377 -0.444 -3.969 1.00 0.00 H new ATOM 179 N TYR A 14 -0.511 -0.687 -6.915 1.00 0.00 N ATOM 180 CA TYR A 14 -0.869 -1.444 -8.112 1.00 0.00 C ATOM 181 C TYR A 14 -0.679 -2.940 -7.893 1.00 0.00 C ATOM 182 O TYR A 14 0.417 -3.395 -7.575 1.00 0.00 O ATOM 183 CB TYR A 14 -0.025 -0.991 -9.301 1.00 0.00 C ATOM 184 CG TYR A 14 -0.372 -1.700 -10.591 1.00 0.00 C ATOM 185 CD1 TYR A 14 -1.378 -1.222 -11.422 1.00 0.00 C ATOM 186 CD2 TYR A 14 0.308 -2.847 -10.977 1.00 0.00 C ATOM 187 CE1 TYR A 14 -1.696 -1.869 -12.601 1.00 0.00 C ATOM 188 CE2 TYR A 14 -0.005 -3.500 -12.156 1.00 0.00 C ATOM 189 CZ TYR A 14 -1.007 -3.007 -12.964 1.00 0.00 C ATOM 190 OH TYR A 14 -1.322 -3.653 -14.136 1.00 0.00 O ATOM 0 H TYR A 14 0.407 -0.243 -6.952 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.921 -1.254 -8.322 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.153 0.083 -9.440 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.028 -1.160 -9.075 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.920 -0.331 -11.142 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.094 -3.236 -10.347 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.481 -1.485 -13.236 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.533 -4.392 -12.442 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.743 -4.436 -14.244 1.00 0.00 H new ATOM 200 N TRP A 15 -1.753 -3.696 -8.077 1.00 0.00 N ATOM 201 CA TRP A 15 -1.707 -5.147 -7.913 1.00 0.00 C ATOM 202 C TRP A 15 -1.476 -5.841 -9.254 1.00 0.00 C ATOM 203 O TRP A 15 -2.284 -5.716 -10.174 1.00 0.00 O ATOM 204 CB TRP A 15 -3.007 -5.651 -7.283 1.00 0.00 C ATOM 205 CG TRP A 15 -4.226 -5.325 -8.092 1.00 0.00 C ATOM 206 CD1 TRP A 15 -4.888 -4.131 -8.130 1.00 0.00 C ATOM 207 CD2 TRP A 15 -4.932 -6.205 -8.976 1.00 0.00 C ATOM 208 NE1 TRP A 15 -5.961 -4.215 -8.984 1.00 0.00 N ATOM 209 CE2 TRP A 15 -6.011 -5.477 -9.515 1.00 0.00 C ATOM 210 CE3 TRP A 15 -4.757 -7.537 -9.366 1.00 0.00 C ATOM 211 CZ2 TRP A 15 -6.909 -6.036 -10.419 1.00 0.00 C ATOM 212 CZ3 TRP A 15 -5.651 -8.090 -10.265 1.00 0.00 C ATOM 213 CH2 TRP A 15 -6.714 -7.340 -10.783 1.00 0.00 C ATOM 0 H TRP A 15 -2.668 -3.331 -8.340 1.00 0.00 H new ATOM 0 HA TRP A 15 -0.874 -5.386 -7.253 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.944 -6.731 -7.153 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.113 -5.216 -6.289 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.609 -3.250 -7.571 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.615 -3.460 -9.190 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.939 -8.123 -8.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.731 -5.461 -10.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.527 -9.118 -10.573 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -7.394 -7.801 -11.484 1.00 0.00 H new ATOM 224 N GLN A 16 -0.379 -6.590 -9.352 1.00 0.00 N ATOM 225 CA GLN A 16 -0.053 -7.324 -10.574 1.00 0.00 C ATOM 226 C GLN A 16 -0.762 -8.676 -10.580 1.00 0.00 C ATOM 227 O GLN A 16 -0.741 -9.411 -9.594 1.00 0.00 O ATOM 228 CB GLN A 16 1.461 -7.511 -10.706 1.00 0.00 C ATOM 229 CG GLN A 16 1.883 -8.199 -11.993 1.00 0.00 C ATOM 230 CD GLN A 16 3.390 -8.269 -12.148 1.00 0.00 C ATOM 231 OE1 GLN A 16 4.134 -7.678 -11.364 1.00 0.00 O ATOM 232 NE2 GLN A 16 3.849 -8.991 -13.162 1.00 0.00 N ATOM 0 H GLN A 16 0.300 -6.705 -8.599 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.399 -6.744 -11.429 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.945 -6.536 -10.651 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.821 -8.094 -9.858 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.472 -9.208 -12.013 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.458 -7.665 -12.843 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.197 -9.464 -13.787 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.854 -9.073 -13.316 1.00 0.00 H new ATOM 241 N GLU A 17 -1.417 -8.969 -11.698 1.00 0.00 N ATOM 242 CA GLU A 17 -2.179 -10.204 -11.862 1.00 0.00 C ATOM 243 C GLU A 17 -1.325 -11.457 -11.673 1.00 0.00 C ATOM 244 O GLU A 17 -0.116 -11.448 -11.902 1.00 0.00 O ATOM 245 CB GLU A 17 -2.838 -10.233 -13.242 1.00 0.00 C ATOM 246 CG GLU A 17 -3.818 -9.093 -13.467 1.00 0.00 C ATOM 247 CD GLU A 17 -4.505 -9.170 -14.815 1.00 0.00 C ATOM 248 OE1 GLU A 17 -4.102 -10.020 -15.638 1.00 0.00 O ATOM 249 OE2 GLU A 17 -5.445 -8.382 -15.050 1.00 0.00 O ATOM 0 H GLU A 17 -1.435 -8.359 -12.515 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.940 -10.212 -11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.063 -10.193 -14.007 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.360 -11.181 -13.367 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.571 -9.106 -12.679 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.289 -8.143 -13.387 1.00 0.00 H new ATOM 256 N ASP A 18 -1.989 -12.538 -11.276 1.00 0.00 N ATOM 257 CA ASP A 18 -1.339 -13.828 -11.070 1.00 0.00 C ATOM 258 C ASP A 18 -0.602 -14.276 -12.325 1.00 0.00 C ATOM 259 O ASP A 18 0.531 -14.753 -12.260 1.00 0.00 O ATOM 260 CB ASP A 18 -2.396 -14.876 -10.719 1.00 0.00 C ATOM 261 CG ASP A 18 -1.794 -16.128 -10.111 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.565 -16.152 -9.892 1.00 0.00 O ATOM 263 OD2 ASP A 18 -2.555 -17.084 -9.851 1.00 0.00 O ATOM 0 H ASP A 18 -2.992 -12.545 -11.088 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.619 -13.723 -10.258 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.112 -14.445 -10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.950 -15.143 -11.619 1.00 0.00 H new ATOM 268 N GLU A 19 -1.269 -14.145 -13.463 1.00 0.00 N ATOM 269 CA GLU A 19 -0.701 -14.564 -14.743 1.00 0.00 C ATOM 270 C GLU A 19 0.509 -13.729 -15.146 1.00 0.00 C ATOM 271 O GLU A 19 1.508 -14.266 -15.625 1.00 0.00 O ATOM 272 CB GLU A 19 -1.765 -14.482 -15.837 1.00 0.00 C ATOM 273 CG GLU A 19 -2.919 -15.449 -15.637 1.00 0.00 C ATOM 274 CD GLU A 19 -3.937 -15.385 -16.759 1.00 0.00 C ATOM 275 OE1 GLU A 19 -4.736 -14.424 -16.783 1.00 0.00 O ATOM 276 OE2 GLU A 19 -3.938 -16.296 -17.615 1.00 0.00 O ATOM 0 H GLU A 19 -2.207 -13.751 -13.529 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.364 -15.593 -14.622 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.156 -13.465 -15.876 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.298 -14.681 -16.802 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.529 -16.464 -15.564 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.413 -15.228 -14.691 1.00 0.00 H new ATOM 283 N ASP A 20 0.423 -12.421 -14.951 1.00 0.00 N ATOM 284 CA ASP A 20 1.528 -11.536 -15.300 1.00 0.00 C ATOM 285 C ASP A 20 2.734 -11.816 -14.411 1.00 0.00 C ATOM 286 O ASP A 20 3.882 -11.728 -14.845 1.00 0.00 O ATOM 287 CB ASP A 20 1.103 -10.071 -15.177 1.00 0.00 C ATOM 288 CG ASP A 20 0.028 -9.695 -16.178 1.00 0.00 C ATOM 289 OD1 ASP A 20 -0.220 -10.489 -17.109 1.00 0.00 O ATOM 290 OD2 ASP A 20 -0.568 -8.606 -16.030 1.00 0.00 O ATOM 0 H ASP A 20 -0.392 -11.951 -14.557 1.00 0.00 H new ATOM 0 HA ASP A 20 1.808 -11.727 -16.336 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.736 -9.885 -14.167 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.972 -9.430 -15.323 1.00 0.00 H new ATOM 295 N ALA A 21 2.448 -12.167 -13.163 1.00 0.00 N ATOM 296 CA ALA A 21 3.488 -12.481 -12.194 1.00 0.00 C ATOM 297 C ALA A 21 3.477 -13.968 -11.858 1.00 0.00 C ATOM 298 O ALA A 21 3.042 -14.373 -10.781 1.00 0.00 O ATOM 299 CB ALA A 21 3.304 -11.651 -10.933 1.00 0.00 C ATOM 0 H ALA A 21 1.498 -12.241 -12.798 1.00 0.00 H new ATOM 0 HA ALA A 21 4.454 -12.236 -12.634 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.089 -11.897 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.360 -10.592 -11.183 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.331 -11.869 -10.493 1.00 0.00 H new ATOM 305 N PRO A 22 3.956 -14.803 -12.793 1.00 0.00 N ATOM 306 CA PRO A 22 4.006 -16.259 -12.615 1.00 0.00 C ATOM 307 C PRO A 22 5.093 -16.694 -11.639 1.00 0.00 C ATOM 308 O PRO A 22 5.103 -17.829 -11.162 1.00 0.00 O ATOM 309 CB PRO A 22 4.327 -16.767 -14.019 1.00 0.00 C ATOM 310 CG PRO A 22 5.092 -15.654 -14.647 1.00 0.00 C ATOM 311 CD PRO A 22 4.486 -14.390 -14.106 1.00 0.00 C ATOM 0 HA PRO A 22 3.078 -16.649 -12.197 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.915 -17.684 -13.985 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.419 -16.991 -14.578 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.151 -15.718 -14.399 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.016 -15.691 -15.734 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.228 -13.598 -14.009 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.698 -14.011 -14.757 1.00 0.00 H new ATOM 319 N ALA A 23 5.997 -15.774 -11.346 1.00 0.00 N ATOM 320 CA ALA A 23 7.094 -16.037 -10.422 1.00 0.00 C ATOM 321 C ALA A 23 7.247 -14.882 -9.443 1.00 0.00 C ATOM 322 O ALA A 23 6.839 -13.758 -9.737 1.00 0.00 O ATOM 323 CB ALA A 23 8.388 -16.267 -11.188 1.00 0.00 C ATOM 0 H ALA A 23 5.994 -14.832 -11.736 1.00 0.00 H new ATOM 0 HA ALA A 23 6.866 -16.940 -9.856 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.197 -16.462 -10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.270 -17.123 -11.852 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.625 -15.381 -11.777 1.00 0.00 H new ATOM 329 N CYS A 24 7.811 -15.157 -8.270 1.00 0.00 N ATOM 330 CA CYS A 24 7.985 -14.135 -7.246 1.00 0.00 C ATOM 331 C CYS A 24 8.863 -12.992 -7.735 1.00 0.00 C ATOM 332 O CYS A 24 9.995 -13.197 -8.173 1.00 0.00 O ATOM 333 CB CYS A 24 8.590 -14.748 -5.986 1.00 0.00 C ATOM 334 SG CYS A 24 8.223 -13.829 -4.477 1.00 0.00 S ATOM 0 H CYS A 24 8.155 -16.080 -8.006 1.00 0.00 H new ATOM 0 HA CYS A 24 7.000 -13.729 -7.017 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.222 -15.768 -5.877 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.671 -14.811 -6.108 1.00 0.00 H new ATOM 0 HG CYS A 24 9.278 -13.803 -3.717 1.00 0.00 H new ATOM 340 N ASN A 25 8.327 -11.782 -7.638 1.00 0.00 N ATOM 341 CA ASN A 25 9.041 -10.582 -8.047 1.00 0.00 C ATOM 342 C ASN A 25 10.291 -10.376 -7.196 1.00 0.00 C ATOM 343 O ASN A 25 11.250 -9.737 -7.629 1.00 0.00 O ATOM 344 CB ASN A 25 8.124 -9.363 -7.937 1.00 0.00 C ATOM 345 CG ASN A 25 6.976 -9.414 -8.926 1.00 0.00 C ATOM 346 OD1 ASN A 25 7.132 -9.059 -10.095 1.00 0.00 O ATOM 347 ND2 ASN A 25 5.816 -9.863 -8.461 1.00 0.00 N ATOM 0 H ASN A 25 7.390 -11.606 -7.275 1.00 0.00 H new ATOM 0 HA ASN A 25 9.350 -10.704 -9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.725 -9.301 -6.924 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.706 -8.457 -8.106 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.008 -9.925 -9.080 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.733 -10.146 -7.485 1.00 0.00 H new ATOM 354 N GLY A 26 10.259 -10.893 -5.971 1.00 0.00 N ATOM 355 CA GLY A 26 11.383 -10.723 -5.069 1.00 0.00 C ATOM 356 C GLY A 26 12.445 -11.804 -5.185 1.00 0.00 C ATOM 357 O GLY A 26 13.621 -11.497 -5.390 1.00 0.00 O ATOM 0 H GLY A 26 9.477 -11.425 -5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.844 -9.754 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.012 -10.703 -4.044 1.00 0.00 H new ATOM 361 N CYS A 27 12.051 -13.065 -5.021 1.00 0.00 N ATOM 362 CA CYS A 27 13.010 -14.167 -5.077 1.00 0.00 C ATOM 363 C CYS A 27 12.955 -14.931 -6.398 1.00 0.00 C ATOM 364 O CYS A 27 13.768 -15.825 -6.633 1.00 0.00 O ATOM 365 CB CYS A 27 12.780 -15.130 -3.911 1.00 0.00 C ATOM 366 SG CYS A 27 11.238 -16.068 -4.020 1.00 0.00 S ATOM 0 H CYS A 27 11.086 -13.348 -4.850 1.00 0.00 H new ATOM 0 HA CYS A 27 14.003 -13.724 -5.001 1.00 0.00 H new ATOM 0 HB2 CYS A 27 13.615 -15.829 -3.861 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.783 -14.563 -2.980 1.00 0.00 H new ATOM 0 HG CYS A 27 11.135 -16.855 -2.990 1.00 0.00 H new ATOM 372 N GLY A 28 12.019 -14.573 -7.271 1.00 0.00 N ATOM 373 CA GLY A 28 11.927 -15.240 -8.559 1.00 0.00 C ATOM 374 C GLY A 28 11.403 -16.663 -8.469 1.00 0.00 C ATOM 375 O GLY A 28 11.474 -17.410 -9.444 1.00 0.00 O ATOM 0 H GLY A 28 11.328 -13.840 -7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.274 -14.662 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.913 -15.253 -9.024 1.00 0.00 H new ATOM 379 N CYS A 29 10.873 -17.048 -7.311 1.00 0.00 N ATOM 380 CA CYS A 29 10.341 -18.399 -7.146 1.00 0.00 C ATOM 381 C CYS A 29 9.017 -18.540 -7.885 1.00 0.00 C ATOM 382 O CYS A 29 8.227 -17.600 -7.950 1.00 0.00 O ATOM 383 CB CYS A 29 10.168 -18.747 -5.666 1.00 0.00 C ATOM 384 SG CYS A 29 8.668 -18.076 -4.913 1.00 0.00 S ATOM 0 H CYS A 29 10.800 -16.455 -6.484 1.00 0.00 H new ATOM 0 HA CYS A 29 11.058 -19.100 -7.574 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.160 -19.832 -5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.033 -18.378 -5.115 1.00 0.00 H new ATOM 0 HG CYS A 29 8.945 -16.953 -4.320 1.00 0.00 H new ATOM 390 N VAL A 30 8.792 -19.715 -8.460 1.00 0.00 N ATOM 391 CA VAL A 30 7.571 -19.968 -9.219 1.00 0.00 C ATOM 392 C VAL A 30 6.393 -20.279 -8.307 1.00 0.00 C ATOM 393 O VAL A 30 6.517 -21.032 -7.342 1.00 0.00 O ATOM 394 CB VAL A 30 7.736 -21.136 -10.207 1.00 0.00 C ATOM 395 CG1 VAL A 30 6.843 -20.933 -11.423 1.00 0.00 C ATOM 396 CG2 VAL A 30 9.190 -21.303 -10.620 1.00 0.00 C ATOM 0 H VAL A 30 9.435 -20.505 -8.416 1.00 0.00 H new ATOM 0 HA VAL A 30 7.374 -19.050 -9.773 1.00 0.00 H new ATOM 0 HB VAL A 30 7.429 -22.053 -9.705 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.971 -21.768 -12.112 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.802 -20.882 -11.105 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.116 -20.004 -11.924 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.277 -22.135 -11.318 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.539 -20.389 -11.100 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.798 -21.505 -9.738 1.00 0.00 H new ATOM 406 N PHE A 31 5.246 -19.700 -8.636 1.00 0.00 N ATOM 407 CA PHE A 31 4.028 -19.915 -7.864 1.00 0.00 C ATOM 408 C PHE A 31 3.336 -21.196 -8.314 1.00 0.00 C ATOM 409 O PHE A 31 3.203 -21.465 -9.509 1.00 0.00 O ATOM 410 CB PHE A 31 3.086 -18.721 -8.012 1.00 0.00 C ATOM 411 CG PHE A 31 3.678 -17.439 -7.500 1.00 0.00 C ATOM 412 CD1 PHE A 31 3.789 -17.209 -6.138 1.00 0.00 C ATOM 413 CD2 PHE A 31 4.135 -16.471 -8.379 1.00 0.00 C ATOM 414 CE1 PHE A 31 4.344 -16.037 -5.663 1.00 0.00 C ATOM 415 CE2 PHE A 31 4.693 -15.297 -7.909 1.00 0.00 C ATOM 416 CZ PHE A 31 4.797 -15.080 -6.549 1.00 0.00 C ATOM 0 H PHE A 31 5.133 -19.076 -9.435 1.00 0.00 H new ATOM 0 HA PHE A 31 4.296 -20.016 -6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.825 -18.600 -9.063 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.160 -18.927 -7.475 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.438 -17.955 -5.440 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.054 -16.635 -9.443 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.424 -15.869 -4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.047 -14.550 -8.604 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.232 -14.163 -6.179 1.00 0.00 H new ATOM 426 N THR A 32 2.906 -21.982 -7.334 1.00 0.00 N ATOM 427 CA THR A 32 2.230 -23.247 -7.599 1.00 0.00 C ATOM 428 C THR A 32 0.912 -23.345 -6.836 1.00 0.00 C ATOM 429 O THR A 32 0.616 -22.516 -5.976 1.00 0.00 O ATOM 430 CB THR A 32 3.138 -24.422 -7.232 1.00 0.00 C ATOM 431 OG1 THR A 32 3.265 -24.539 -5.828 1.00 0.00 O ATOM 432 CG2 THR A 32 4.531 -24.304 -7.812 1.00 0.00 C ATOM 0 H THR A 32 3.014 -21.764 -6.343 1.00 0.00 H new ATOM 0 HA THR A 32 2.006 -23.287 -8.665 1.00 0.00 H new ATOM 0 HB THR A 32 2.657 -25.303 -7.658 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.848 -25.297 -5.614 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.124 -25.169 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.470 -24.263 -8.900 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.004 -23.395 -7.441 1.00 0.00 H new ATOM 440 N THR A 33 0.127 -24.365 -7.161 1.00 0.00 N ATOM 441 CA THR A 33 -1.162 -24.582 -6.518 1.00 0.00 C ATOM 442 C THR A 33 -1.054 -24.483 -4.999 1.00 0.00 C ATOM 443 O THR A 33 -1.895 -23.857 -4.352 1.00 0.00 O ATOM 444 CB THR A 33 -1.713 -25.956 -6.903 1.00 0.00 C ATOM 445 OG1 THR A 33 -1.770 -26.099 -8.311 1.00 0.00 O ATOM 446 CG2 THR A 33 -3.098 -26.217 -6.356 1.00 0.00 C ATOM 0 H THR A 33 0.363 -25.059 -7.871 1.00 0.00 H new ATOM 0 HA THR A 33 -1.841 -23.802 -6.863 1.00 0.00 H new ATOM 0 HB THR A 33 -1.024 -26.678 -6.463 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.123 -26.985 -8.536 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.431 -27.208 -6.665 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.075 -26.165 -5.267 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.788 -25.466 -6.740 1.00 0.00 H new ATOM 454 N THR A 34 -0.026 -25.100 -4.426 1.00 0.00 N ATOM 455 CA THR A 34 0.155 -25.061 -2.980 1.00 0.00 C ATOM 456 C THR A 34 0.445 -23.640 -2.508 1.00 0.00 C ATOM 457 O THR A 34 0.006 -23.240 -1.431 1.00 0.00 O ATOM 458 CB THR A 34 1.269 -26.014 -2.541 1.00 0.00 C ATOM 459 OG1 THR A 34 1.017 -27.327 -3.010 1.00 0.00 O ATOM 460 CG2 THR A 34 1.433 -26.088 -1.037 1.00 0.00 C ATOM 0 H THR A 34 0.686 -25.626 -4.933 1.00 0.00 H new ATOM 0 HA THR A 34 -0.775 -25.391 -2.517 1.00 0.00 H new ATOM 0 HB THR A 34 2.185 -25.609 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.740 -27.922 -2.721 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.238 -26.780 -0.792 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.674 -25.099 -0.648 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.504 -26.438 -0.587 1.00 0.00 H new ATOM 468 N VAL A 35 1.182 -22.877 -3.306 1.00 0.00 N ATOM 469 CA VAL A 35 1.509 -21.510 -2.933 1.00 0.00 C ATOM 470 C VAL A 35 0.463 -20.526 -3.436 1.00 0.00 C ATOM 471 O VAL A 35 0.311 -20.312 -4.638 1.00 0.00 O ATOM 472 CB VAL A 35 2.875 -21.080 -3.486 1.00 0.00 C ATOM 473 CG1 VAL A 35 3.142 -19.623 -3.152 1.00 0.00 C ATOM 474 CG2 VAL A 35 3.982 -21.966 -2.943 1.00 0.00 C ATOM 0 H VAL A 35 1.560 -23.178 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 35 1.535 -21.495 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 35 2.858 -21.191 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.114 -19.331 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.366 -19.000 -3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.138 -19.491 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.940 -21.642 -3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.006 -21.894 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.796 -23.000 -3.234 1.00 0.00 H new ATOM 484 N ARG A 36 -0.235 -19.920 -2.491 1.00 0.00 N ATOM 485 CA ARG A 36 -1.263 -18.931 -2.797 1.00 0.00 C ATOM 486 C ARG A 36 -0.623 -17.607 -3.204 1.00 0.00 C ATOM 487 O ARG A 36 0.462 -17.262 -2.737 1.00 0.00 O ATOM 488 CB ARG A 36 -2.180 -18.726 -1.588 1.00 0.00 C ATOM 489 CG ARG A 36 -2.972 -19.967 -1.211 1.00 0.00 C ATOM 490 CD ARG A 36 -3.959 -20.340 -2.305 1.00 0.00 C ATOM 491 NE ARG A 36 -4.816 -21.456 -1.917 1.00 0.00 N ATOM 492 CZ ARG A 36 -5.919 -21.317 -1.190 1.00 0.00 C ATOM 493 NH1 ARG A 36 -6.288 -20.115 -0.764 1.00 0.00 N ATOM 494 NH2 ARG A 36 -6.650 -22.378 -0.881 1.00 0.00 N ATOM 0 H ARG A 36 -0.109 -20.096 -1.494 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.861 -19.299 -3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.578 -18.415 -0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.874 -17.913 -1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.289 -20.798 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.508 -19.791 -0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.578 -19.475 -2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.413 -20.602 -3.211 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.554 -22.394 -2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.724 -19.297 -0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.135 -20.010 -0.206 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.366 -23.304 -1.201 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.497 -22.269 -0.323 1.00 0.00 H new ATOM 508 N ARG A 37 -1.301 -16.871 -4.075 1.00 0.00 N ATOM 509 CA ARG A 37 -0.793 -15.586 -4.542 1.00 0.00 C ATOM 510 C ARG A 37 -1.044 -14.495 -3.510 1.00 0.00 C ATOM 511 O ARG A 37 -2.091 -14.465 -2.863 1.00 0.00 O ATOM 512 CB ARG A 37 -1.440 -15.195 -5.869 1.00 0.00 C ATOM 513 CG ARG A 37 -0.876 -13.911 -6.453 1.00 0.00 C ATOM 514 CD ARG A 37 -1.510 -13.576 -7.792 1.00 0.00 C ATOM 515 NE ARG A 37 -2.917 -13.211 -7.654 1.00 0.00 N ATOM 516 CZ ARG A 37 -3.915 -14.089 -7.700 1.00 0.00 C ATOM 517 NH1 ARG A 37 -3.661 -15.382 -7.847 1.00 0.00 N ATOM 518 NH2 ARG A 37 -5.171 -13.676 -7.590 1.00 0.00 N ATOM 0 H ARG A 37 -2.201 -17.140 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 37 0.282 -15.691 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.302 -16.004 -6.586 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.514 -15.079 -5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.043 -13.090 -5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.203 -14.010 -6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.966 -12.753 -8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.421 -14.433 -8.460 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.148 -12.227 -7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.697 -15.707 -7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.429 -16.052 -7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.373 -12.683 -7.470 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.935 -14.351 -7.626 1.00 0.00 H new ATOM 532 N HIS A 38 -0.076 -13.596 -3.365 1.00 0.00 N ATOM 533 CA HIS A 38 -0.190 -12.500 -2.414 1.00 0.00 C ATOM 534 C HIS A 38 0.393 -11.213 -2.990 1.00 0.00 C ATOM 535 O HIS A 38 1.165 -11.243 -3.947 1.00 0.00 O ATOM 536 CB HIS A 38 0.515 -12.855 -1.103 1.00 0.00 C ATOM 537 CG HIS A 38 -0.080 -14.037 -0.404 1.00 0.00 C ATOM 538 ND1 HIS A 38 -1.365 -14.046 0.094 1.00 0.00 N ATOM 539 CD2 HIS A 38 0.440 -15.255 -0.123 1.00 0.00 C ATOM 540 CE1 HIS A 38 -1.608 -15.217 0.654 1.00 0.00 C ATOM 541 NE2 HIS A 38 -0.530 -15.969 0.536 1.00 0.00 N ATOM 0 H HIS A 38 0.796 -13.606 -3.895 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.249 -12.337 -2.214 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.566 -13.056 -1.308 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.480 -11.993 -0.436 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.433 -15.601 -0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.533 -15.510 1.129 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.433 -16.925 0.879 1.00 0.00 H new ATOM 550 N HIS A 39 0.006 -10.084 -2.410 1.00 0.00 N ATOM 551 CA HIS A 39 0.482 -8.788 -2.880 1.00 0.00 C ATOM 552 C HIS A 39 1.085 -7.973 -1.744 1.00 0.00 C ATOM 553 O HIS A 39 0.607 -8.023 -0.610 1.00 0.00 O ATOM 554 CB HIS A 39 -0.666 -8.003 -3.515 1.00 0.00 C ATOM 555 CG HIS A 39 -1.340 -8.729 -4.638 1.00 0.00 C ATOM 556 ND1 HIS A 39 -0.706 -9.040 -5.822 1.00 0.00 N ATOM 557 CD2 HIS A 39 -2.602 -9.206 -4.751 1.00 0.00 C ATOM 558 CE1 HIS A 39 -1.549 -9.678 -6.615 1.00 0.00 C ATOM 559 NE2 HIS A 39 -2.705 -9.792 -5.988 1.00 0.00 N ATOM 0 H HIS A 39 -0.633 -10.038 -1.617 1.00 0.00 H new ATOM 0 HA HIS A 39 1.258 -8.970 -3.624 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.405 -7.772 -2.748 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.283 -7.052 -3.886 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.382 -9.138 -4.007 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.329 -10.044 -7.607 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.540 -10.243 -6.362 1.00 0.00 H new ATOM 568 N CYS A 40 2.113 -7.189 -2.061 1.00 0.00 N ATOM 569 CA CYS A 40 2.760 -6.321 -1.088 1.00 0.00 C ATOM 570 C CYS A 40 2.078 -4.955 -1.129 1.00 0.00 C ATOM 571 O CYS A 40 1.746 -4.449 -2.201 1.00 0.00 O ATOM 572 CB CYS A 40 4.250 -6.194 -1.418 1.00 0.00 C ATOM 573 SG CYS A 40 5.123 -4.966 -0.422 1.00 0.00 S ATOM 0 H CYS A 40 2.517 -7.140 -2.996 1.00 0.00 H new ATOM 0 HA CYS A 40 2.670 -6.740 -0.086 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.726 -7.165 -1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.357 -5.935 -2.471 1.00 0.00 H new ATOM 0 HG CYS A 40 6.209 -4.602 -1.036 1.00 0.00 H new ATOM 579 N ARG A 41 1.831 -4.385 0.047 1.00 0.00 N ATOM 580 CA ARG A 41 1.140 -3.100 0.160 1.00 0.00 C ATOM 581 C ARG A 41 2.005 -1.922 -0.288 1.00 0.00 C ATOM 582 O ARG A 41 1.525 -0.792 -0.370 1.00 0.00 O ATOM 583 CB ARG A 41 0.684 -2.888 1.604 1.00 0.00 C ATOM 584 CG ARG A 41 -0.234 -3.986 2.119 1.00 0.00 C ATOM 585 CD ARG A 41 -1.551 -4.010 1.363 1.00 0.00 C ATOM 586 NE ARG A 41 -2.487 -4.979 1.925 1.00 0.00 N ATOM 587 CZ ARG A 41 -3.104 -4.812 3.089 1.00 0.00 C ATOM 588 NH1 ARG A 41 -2.883 -3.721 3.809 1.00 0.00 N ATOM 589 NH2 ARG A 41 -3.946 -5.734 3.534 1.00 0.00 N ATOM 0 H ARG A 41 2.100 -4.794 0.942 1.00 0.00 H new ATOM 0 HA ARG A 41 0.279 -3.136 -0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.561 -2.827 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.168 -1.931 1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.261 -4.952 2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.426 -3.833 3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.000 -3.017 1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.364 -4.251 0.317 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.677 -5.830 1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.238 -3.008 3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.358 -3.595 4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.121 -6.574 2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.419 -5.604 4.428 1.00 0.00 H new ATOM 603 N ASN A 42 3.272 -2.182 -0.575 1.00 0.00 N ATOM 604 CA ASN A 42 4.186 -1.130 -1.008 1.00 0.00 C ATOM 605 C ASN A 42 4.387 -1.136 -2.521 1.00 0.00 C ATOM 606 O ASN A 42 3.924 -0.234 -3.219 1.00 0.00 O ATOM 607 CB ASN A 42 5.537 -1.291 -0.312 1.00 0.00 C ATOM 608 CG ASN A 42 5.491 -0.897 1.145 1.00 0.00 C ATOM 609 OD1 ASN A 42 5.102 0.216 1.485 1.00 0.00 O ATOM 610 ND2 ASN A 42 5.896 -1.812 2.015 1.00 0.00 N ATOM 0 H ASN A 42 3.692 -3.110 -0.517 1.00 0.00 H new ATOM 0 HA ASN A 42 3.738 -0.175 -0.733 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.862 -2.328 -0.394 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.281 -0.682 -0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.892 -1.603 3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.211 -2.725 1.686 1.00 0.00 H new ATOM 617 N CYS A 43 5.101 -2.135 -3.020 1.00 0.00 N ATOM 618 CA CYS A 43 5.385 -2.228 -4.447 1.00 0.00 C ATOM 619 C CYS A 43 4.174 -2.701 -5.245 1.00 0.00 C ATOM 620 O CYS A 43 4.059 -2.420 -6.437 1.00 0.00 O ATOM 621 CB CYS A 43 6.576 -3.157 -4.690 1.00 0.00 C ATOM 622 SG CYS A 43 6.293 -4.873 -4.192 1.00 0.00 S ATOM 0 H CYS A 43 5.494 -2.892 -2.460 1.00 0.00 H new ATOM 0 HA CYS A 43 5.632 -1.225 -4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.829 -3.135 -5.750 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.440 -2.771 -4.148 1.00 0.00 H new ATOM 0 HG CYS A 43 6.712 -5.046 -2.973 1.00 0.00 H new ATOM 628 N GLY A 44 3.267 -3.411 -4.583 1.00 0.00 N ATOM 629 CA GLY A 44 2.075 -3.892 -5.258 1.00 0.00 C ATOM 630 C GLY A 44 2.365 -5.054 -6.187 1.00 0.00 C ATOM 631 O GLY A 44 1.592 -5.341 -7.100 1.00 0.00 O ATOM 0 H GLY A 44 3.335 -3.661 -3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.339 -4.200 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.630 -3.077 -5.829 1.00 0.00 H new ATOM 635 N TYR A 45 3.480 -5.728 -5.946 1.00 0.00 N ATOM 636 CA TYR A 45 3.877 -6.871 -6.757 1.00 0.00 C ATOM 637 C TYR A 45 3.490 -8.171 -6.071 1.00 0.00 C ATOM 638 O TYR A 45 3.216 -8.195 -4.872 1.00 0.00 O ATOM 639 CB TYR A 45 5.381 -6.852 -7.028 1.00 0.00 C ATOM 640 CG TYR A 45 5.855 -5.611 -7.749 1.00 0.00 C ATOM 641 CD1 TYR A 45 5.166 -5.117 -8.850 1.00 0.00 C ATOM 642 CD2 TYR A 45 6.992 -4.934 -7.330 1.00 0.00 C ATOM 643 CE1 TYR A 45 5.597 -3.983 -9.511 1.00 0.00 C ATOM 644 CE2 TYR A 45 7.431 -3.799 -7.985 1.00 0.00 C ATOM 645 CZ TYR A 45 6.730 -3.328 -9.075 1.00 0.00 C ATOM 646 OH TYR A 45 7.162 -2.198 -9.730 1.00 0.00 O ATOM 0 H TYR A 45 4.129 -5.502 -5.192 1.00 0.00 H new ATOM 0 HA TYR A 45 3.353 -6.804 -7.710 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.913 -6.936 -6.080 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.645 -7.728 -7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.279 -5.628 -9.195 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.543 -5.301 -6.477 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.050 -3.611 -10.365 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.318 -3.284 -7.645 1.00 0.00 H new ATOM 0 HH TYR A 45 7.972 -1.858 -9.296 1.00 0.00 H new ATOM 656 N VAL A 46 3.456 -9.245 -6.842 1.00 0.00 N ATOM 657 CA VAL A 46 3.088 -10.544 -6.302 1.00 0.00 C ATOM 658 C VAL A 46 4.248 -11.181 -5.548 1.00 0.00 C ATOM 659 O VAL A 46 5.359 -11.291 -6.066 1.00 0.00 O ATOM 660 CB VAL A 46 2.611 -11.508 -7.400 1.00 0.00 C ATOM 661 CG1 VAL A 46 2.286 -12.868 -6.802 1.00 0.00 C ATOM 662 CG2 VAL A 46 1.403 -10.934 -8.129 1.00 0.00 C ATOM 0 H VAL A 46 3.677 -9.244 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 46 2.264 -10.366 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 46 3.414 -11.635 -8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.949 -13.541 -7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.178 -13.280 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.498 -12.759 -6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.080 -11.631 -8.903 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.591 -10.777 -7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.673 -9.983 -8.587 1.00 0.00 H new ATOM 672 N LEU A 47 3.975 -11.611 -4.323 1.00 0.00 N ATOM 673 CA LEU A 47 4.984 -12.253 -3.490 1.00 0.00 C ATOM 674 C LEU A 47 4.434 -13.533 -2.878 1.00 0.00 C ATOM 675 O LEU A 47 3.290 -13.572 -2.429 1.00 0.00 O ATOM 676 CB LEU A 47 5.429 -11.329 -2.351 1.00 0.00 C ATOM 677 CG LEU A 47 6.234 -10.090 -2.747 1.00 0.00 C ATOM 678 CD1 LEU A 47 7.613 -10.480 -3.251 1.00 0.00 C ATOM 679 CD2 LEU A 47 5.496 -9.270 -3.787 1.00 0.00 C ATOM 0 H LEU A 47 3.059 -11.526 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 47 5.836 -12.479 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.540 -11.000 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.027 -11.914 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 47 6.357 -9.473 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.167 -9.583 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.151 -11.011 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.512 -11.126 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.091 -8.395 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.329 -9.876 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.537 -8.948 -3.382 1.00 0.00 H new ATOM 691 N CYS A 48 5.261 -14.565 -2.825 1.00 0.00 N ATOM 692 CA CYS A 48 4.852 -15.825 -2.222 1.00 0.00 C ATOM 693 C CYS A 48 4.924 -15.688 -0.709 1.00 0.00 C ATOM 694 O CYS A 48 5.281 -14.622 -0.205 1.00 0.00 O ATOM 695 CB CYS A 48 5.743 -16.975 -2.701 1.00 0.00 C ATOM 696 SG CYS A 48 7.308 -17.120 -1.808 1.00 0.00 S ATOM 0 H CYS A 48 6.214 -14.557 -3.189 1.00 0.00 H new ATOM 0 HA CYS A 48 3.830 -16.055 -2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.193 -17.911 -2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.954 -16.839 -3.762 1.00 0.00 H new ATOM 0 HG CYS A 48 8.233 -17.539 -2.619 1.00 0.00 H new ATOM 702 N GLY A 49 4.590 -16.739 0.029 1.00 0.00 N ATOM 703 CA GLY A 49 4.644 -16.646 1.471 1.00 0.00 C ATOM 704 C GLY A 49 6.017 -16.234 1.968 1.00 0.00 C ATOM 705 O GLY A 49 6.148 -15.271 2.720 1.00 0.00 O ATOM 0 H GLY A 49 4.287 -17.640 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.903 -15.924 1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.376 -17.609 1.906 1.00 0.00 H new ATOM 709 N ASP A 50 7.036 -16.974 1.539 1.00 0.00 N ATOM 710 CA ASP A 50 8.419 -16.708 1.940 1.00 0.00 C ATOM 711 C ASP A 50 8.861 -15.279 1.641 1.00 0.00 C ATOM 712 O ASP A 50 9.618 -14.681 2.406 1.00 0.00 O ATOM 713 CB ASP A 50 9.369 -17.692 1.263 1.00 0.00 C ATOM 714 CG ASP A 50 9.299 -19.080 1.870 1.00 0.00 C ATOM 715 OD1 ASP A 50 8.730 -19.215 2.972 1.00 0.00 O ATOM 716 OD2 ASP A 50 9.818 -20.028 1.245 1.00 0.00 O ATOM 0 H ASP A 50 6.931 -17.769 0.909 1.00 0.00 H new ATOM 0 HA ASP A 50 8.457 -16.839 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.129 -17.751 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.390 -17.317 1.339 1.00 0.00 H new ATOM 721 N CYS A 51 8.389 -14.739 0.525 1.00 0.00 N ATOM 722 CA CYS A 51 8.741 -13.379 0.131 1.00 0.00 C ATOM 723 C CYS A 51 7.776 -12.364 0.725 1.00 0.00 C ATOM 724 O CYS A 51 7.942 -11.158 0.545 1.00 0.00 O ATOM 725 CB CYS A 51 8.769 -13.250 -1.393 1.00 0.00 C ATOM 726 SG CYS A 51 10.390 -13.583 -2.121 1.00 0.00 S ATOM 0 H CYS A 51 7.764 -15.219 -0.122 1.00 0.00 H new ATOM 0 HA CYS A 51 9.737 -13.169 0.521 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.040 -13.939 -1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.456 -12.243 -1.669 1.00 0.00 H new ATOM 0 HG CYS A 51 10.389 -14.767 -2.659 1.00 0.00 H new ATOM 732 N SER A 52 6.776 -12.855 1.447 1.00 0.00 N ATOM 733 CA SER A 52 5.793 -11.995 2.086 1.00 0.00 C ATOM 734 C SER A 52 5.607 -12.415 3.540 1.00 0.00 C ATOM 735 O SER A 52 4.554 -12.184 4.133 1.00 0.00 O ATOM 736 CB SER A 52 4.458 -12.068 1.341 1.00 0.00 C ATOM 737 OG SER A 52 3.800 -13.297 1.593 1.00 0.00 O ATOM 0 H SER A 52 6.626 -13.852 1.604 1.00 0.00 H new ATOM 0 HA SER A 52 6.151 -10.966 2.055 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.820 -11.240 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.629 -11.956 0.270 1.00 0.00 H new ATOM 0 HG SER A 52 4.102 -13.968 0.946 1.00 0.00 H new ATOM 743 N ARG A 53 6.645 -13.021 4.115 1.00 0.00 N ATOM 744 CA ARG A 53 6.593 -13.452 5.508 1.00 0.00 C ATOM 745 C ARG A 53 6.879 -12.287 6.450 1.00 0.00 C ATOM 746 O ARG A 53 6.591 -12.366 7.645 1.00 0.00 O ATOM 747 CB ARG A 53 7.577 -14.600 5.777 1.00 0.00 C ATOM 748 CG ARG A 53 7.139 -15.939 5.206 1.00 0.00 C ATOM 749 CD ARG A 53 8.009 -17.074 5.721 1.00 0.00 C ATOM 750 NE ARG A 53 7.673 -18.347 5.090 1.00 0.00 N ATOM 751 CZ ARG A 53 6.543 -19.011 5.320 1.00 0.00 C ATOM 752 NH1 ARG A 53 5.646 -18.530 6.171 1.00 0.00 N ATOM 753 NH2 ARG A 53 6.307 -20.157 4.698 1.00 0.00 N ATOM 0 H ARG A 53 7.525 -13.223 3.641 1.00 0.00 H new ATOM 0 HA ARG A 53 5.583 -13.816 5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.548 -14.338 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.713 -14.703 6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.099 -16.127 5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.189 -15.906 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.057 -16.842 5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.890 -17.161 6.801 1.00 0.00 H new ATOM 0 HE ARG A 53 8.343 -18.751 4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.821 -17.648 6.652 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.781 -19.042 6.344 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.992 -20.532 4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.440 -20.665 4.876 1.00 0.00 H new ATOM 767 N HIS A 54 7.453 -11.208 5.922 1.00 0.00 N ATOM 768 CA HIS A 54 7.773 -10.048 6.746 1.00 0.00 C ATOM 769 C HIS A 54 6.578 -9.119 6.881 1.00 0.00 C ATOM 770 O HIS A 54 5.592 -9.239 6.152 1.00 0.00 O ATOM 771 CB HIS A 54 8.944 -9.263 6.152 1.00 0.00 C ATOM 772 CG HIS A 54 10.265 -9.954 6.272 1.00 0.00 C ATOM 773 ND1 HIS A 54 10.881 -10.202 7.482 1.00 0.00 N ATOM 774 CD2 HIS A 54 11.100 -10.439 5.323 1.00 0.00 C ATOM 775 CE1 HIS A 54 12.036 -10.805 7.270 1.00 0.00 C ATOM 776 NE2 HIS A 54 12.193 -10.961 5.969 1.00 0.00 N ATOM 0 H HIS A 54 7.703 -11.114 4.938 1.00 0.00 H new ATOM 0 HA HIS A 54 8.047 -10.423 7.732 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.741 -9.070 5.099 1.00 0.00 H new ATOM 0 HB3 HIS A 54 9.006 -8.294 6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 54 10.936 -10.419 4.256 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.734 -11.118 8.032 1.00 0.00 H new ATOM 0 HE2 HIS A 54 12.996 -11.398 5.517 1.00 0.00 H new ATOM 785 N ARG A 55 6.681 -8.184 7.814 1.00 0.00 N ATOM 786 CA ARG A 55 5.620 -7.218 8.044 1.00 0.00 C ATOM 787 C ARG A 55 6.207 -5.857 8.414 1.00 0.00 C ATOM 788 O ARG A 55 7.194 -5.772 9.146 1.00 0.00 O ATOM 789 CB ARG A 55 4.677 -7.717 9.133 1.00 0.00 C ATOM 790 CG ARG A 55 4.463 -9.220 9.090 1.00 0.00 C ATOM 791 CD ARG A 55 3.382 -9.662 10.061 1.00 0.00 C ATOM 792 NE ARG A 55 3.305 -11.116 10.158 1.00 0.00 N ATOM 793 CZ ARG A 55 4.018 -11.838 11.019 1.00 0.00 C ATOM 794 NH1 ARG A 55 4.866 -11.245 11.847 1.00 0.00 N ATOM 795 NH2 ARG A 55 3.891 -13.157 11.044 1.00 0.00 N ATOM 0 H ARG A 55 7.491 -8.075 8.425 1.00 0.00 H new ATOM 0 HA ARG A 55 5.048 -7.101 7.123 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.078 -7.440 10.108 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.715 -7.215 9.030 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.188 -9.520 8.079 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.397 -9.728 9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.584 -9.242 11.046 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.419 -9.267 9.737 1.00 0.00 H new ATOM 0 HE ARG A 55 2.668 -11.607 9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.974 -10.231 11.826 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.410 -11.803 12.505 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.246 -13.620 10.403 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.438 -13.710 11.704 1.00 0.00 H new ATOM 809 N ALA A 56 5.595 -4.806 7.902 1.00 0.00 N ATOM 810 CA ALA A 56 6.058 -3.450 8.176 1.00 0.00 C ATOM 811 C ALA A 56 4.964 -2.426 7.933 1.00 0.00 C ATOM 812 O ALA A 56 4.065 -2.646 7.121 1.00 0.00 O ATOM 813 CB ALA A 56 7.278 -3.130 7.325 1.00 0.00 C ATOM 0 H ALA A 56 4.777 -4.860 7.295 1.00 0.00 H new ATOM 0 HA ALA A 56 6.332 -3.398 9.230 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.614 -2.115 7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.078 -3.834 7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.017 -3.211 6.270 1.00 0.00 H new ATOM 819 N ALA A 57 5.060 -1.287 8.613 1.00 0.00 N ATOM 820 CA ALA A 57 4.097 -0.214 8.439 1.00 0.00 C ATOM 821 C ALA A 57 4.571 0.698 7.324 1.00 0.00 C ATOM 822 O ALA A 57 5.774 0.831 7.094 1.00 0.00 O ATOM 823 CB ALA A 57 3.920 0.569 9.733 1.00 0.00 C ATOM 0 H ALA A 57 5.797 -1.087 9.289 1.00 0.00 H new ATOM 0 HA ALA A 57 3.128 -0.639 8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.194 1.367 9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.563 -0.099 10.517 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.876 1.000 10.031 1.00 0.00 H new ATOM 829 N ILE A 58 3.638 1.317 6.620 1.00 0.00 N ATOM 830 CA ILE A 58 3.981 2.202 5.522 1.00 0.00 C ATOM 831 C ILE A 58 3.345 3.574 5.720 1.00 0.00 C ATOM 832 O ILE A 58 2.285 3.869 5.168 1.00 0.00 O ATOM 833 CB ILE A 58 3.523 1.595 4.186 1.00 0.00 C ATOM 834 CG1 ILE A 58 3.671 0.069 4.228 1.00 0.00 C ATOM 835 CG2 ILE A 58 4.327 2.179 3.041 1.00 0.00 C ATOM 836 CD1 ILE A 58 3.103 -0.637 3.016 1.00 0.00 C ATOM 0 H ILE A 58 2.637 1.222 6.790 1.00 0.00 H new ATOM 0 HA ILE A 58 5.064 2.322 5.502 1.00 0.00 H new ATOM 0 HB ILE A 58 2.473 1.839 4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.728 -0.181 4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.175 -0.310 5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.993 1.741 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.183 3.259 3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.384 1.958 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.246 -1.712 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.038 -0.419 2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.615 -0.289 2.119 1.00 0.00 H new ATOM 848 N PRO A 59 3.985 4.421 6.542 1.00 0.00 N ATOM 849 CA PRO A 59 3.483 5.766 6.858 1.00 0.00 C ATOM 850 C PRO A 59 3.479 6.729 5.675 1.00 0.00 C ATOM 851 O PRO A 59 2.846 7.783 5.738 1.00 0.00 O ATOM 852 CB PRO A 59 4.428 6.255 7.956 1.00 0.00 C ATOM 853 CG PRO A 59 5.675 5.461 7.774 1.00 0.00 C ATOM 854 CD PRO A 59 5.241 4.121 7.249 1.00 0.00 C ATOM 0 HA PRO A 59 2.435 5.726 7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.623 7.323 7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.999 6.095 8.945 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.352 5.953 7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.211 5.355 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.986 3.691 6.579 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.087 3.404 8.056 1.00 0.00 H new ATOM 862 N MET A 60 4.145 6.368 4.586 1.00 0.00 N ATOM 863 CA MET A 60 4.154 7.221 3.404 1.00 0.00 C ATOM 864 C MET A 60 2.927 6.913 2.560 1.00 0.00 C ATOM 865 O MET A 60 2.315 7.802 1.968 1.00 0.00 O ATOM 866 CB MET A 60 5.426 6.987 2.589 1.00 0.00 C ATOM 867 CG MET A 60 6.695 7.423 3.304 1.00 0.00 C ATOM 868 SD MET A 60 8.158 7.301 2.259 1.00 0.00 S ATOM 869 CE MET A 60 8.119 5.563 1.829 1.00 0.00 C ATOM 0 H MET A 60 4.679 5.504 4.496 1.00 0.00 H new ATOM 0 HA MET A 60 4.133 8.266 3.712 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.502 5.927 2.345 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.347 7.526 1.645 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.581 8.452 3.643 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.836 6.808 4.193 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.125 5.149 1.896 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.462 5.032 2.518 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.746 5.448 0.811 1.00 0.00 H new ATOM 879 N ARG A 61 2.585 5.633 2.519 1.00 0.00 N ATOM 880 CA ARG A 61 1.438 5.160 1.756 1.00 0.00 C ATOM 881 C ARG A 61 0.146 5.327 2.555 1.00 0.00 C ATOM 882 O ARG A 61 -0.937 4.966 2.093 1.00 0.00 O ATOM 883 CB ARG A 61 1.635 3.689 1.385 1.00 0.00 C ATOM 884 CG ARG A 61 2.964 3.415 0.698 1.00 0.00 C ATOM 885 CD ARG A 61 3.090 4.170 -0.612 1.00 0.00 C ATOM 886 NE ARG A 61 2.175 3.661 -1.628 1.00 0.00 N ATOM 887 CZ ARG A 61 2.063 4.184 -2.843 1.00 0.00 C ATOM 888 NH1 ARG A 61 2.805 5.228 -3.191 1.00 0.00 N ATOM 889 NH2 ARG A 61 1.208 3.663 -3.713 1.00 0.00 N ATOM 0 H ARG A 61 3.091 4.897 3.011 1.00 0.00 H new ATOM 0 HA ARG A 61 1.358 5.756 0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.568 3.082 2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.823 3.375 0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.781 3.700 1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.063 2.346 0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.890 5.228 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.114 4.094 -0.977 1.00 0.00 H new ATOM 0 HE ARG A 61 1.590 2.860 -1.392 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.464 5.631 -2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.717 5.628 -4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.637 2.861 -3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.122 4.065 -4.647 1.00 0.00 H new ATOM 903 N GLY A 62 0.278 5.881 3.756 1.00 0.00 N ATOM 904 CA GLY A 62 -0.874 6.097 4.611 1.00 0.00 C ATOM 905 C GLY A 62 -1.092 4.962 5.590 1.00 0.00 C ATOM 906 O GLY A 62 -2.113 4.912 6.275 1.00 0.00 O ATOM 0 H GLY A 62 1.167 6.185 4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.743 7.028 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.764 6.215 3.993 1.00 0.00 H new ATOM 910 N ILE A 63 -0.129 4.048 5.658 1.00 0.00 N ATOM 911 CA ILE A 63 -0.215 2.909 6.559 1.00 0.00 C ATOM 912 C ILE A 63 0.597 3.179 7.826 1.00 0.00 C ATOM 913 O ILE A 63 1.823 3.078 7.824 1.00 0.00 O ATOM 914 CB ILE A 63 0.310 1.638 5.858 1.00 0.00 C ATOM 915 CG1 ILE A 63 -0.473 1.397 4.565 1.00 0.00 C ATOM 916 CG2 ILE A 63 0.217 0.426 6.773 1.00 0.00 C ATOM 917 CD1 ILE A 63 0.129 0.329 3.680 1.00 0.00 C ATOM 0 H ILE A 63 0.722 4.076 5.097 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.259 2.756 6.834 1.00 0.00 H new ATOM 0 HB ILE A 63 1.362 1.789 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.495 1.114 4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.530 2.331 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.594 -0.454 6.251 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.813 0.600 7.669 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.823 0.262 7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.480 0.214 2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.141 0.619 3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.160 -0.617 4.221 1.00 0.00 H new ATOM 929 N THR A 64 -0.099 3.540 8.903 1.00 0.00 N ATOM 930 CA THR A 64 0.560 3.846 10.172 1.00 0.00 C ATOM 931 C THR A 64 0.736 2.600 11.032 1.00 0.00 C ATOM 932 O THR A 64 1.547 2.586 11.957 1.00 0.00 O ATOM 933 CB THR A 64 -0.228 4.909 10.936 1.00 0.00 C ATOM 934 OG1 THR A 64 -1.562 4.487 11.152 1.00 0.00 O ATOM 935 CG2 THR A 64 -0.275 6.244 10.222 1.00 0.00 C ATOM 0 H THR A 64 -1.115 3.628 8.923 1.00 0.00 H new ATOM 0 HA THR A 64 1.553 4.232 9.943 1.00 0.00 H new ATOM 0 HB THR A 64 0.300 5.039 11.881 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.049 5.181 11.644 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.849 6.955 10.817 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.739 6.620 10.086 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.749 6.119 9.248 1.00 0.00 H new ATOM 943 N GLU A 65 -0.010 1.551 10.717 1.00 0.00 N ATOM 944 CA GLU A 65 0.089 0.302 11.456 1.00 0.00 C ATOM 945 C GLU A 65 0.889 -0.702 10.642 1.00 0.00 C ATOM 946 O GLU A 65 0.774 -0.742 9.419 1.00 0.00 O ATOM 947 CB GLU A 65 -1.304 -0.255 11.757 1.00 0.00 C ATOM 948 CG GLU A 65 -1.983 0.417 12.938 1.00 0.00 C ATOM 949 CD GLU A 65 -3.414 0.818 12.638 1.00 0.00 C ATOM 950 OE1 GLU A 65 -4.200 -0.055 12.217 1.00 0.00 O ATOM 951 OE2 GLU A 65 -3.748 2.007 12.827 1.00 0.00 O ATOM 0 H GLU A 65 -0.689 1.540 9.956 1.00 0.00 H new ATOM 0 HA GLU A 65 0.595 0.488 12.403 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.932 -0.139 10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.224 -1.324 11.954 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.971 -0.260 13.792 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.414 1.302 13.224 1.00 0.00 H new ATOM 958 N PRO A 66 1.724 -1.520 11.291 1.00 0.00 N ATOM 959 CA PRO A 66 2.537 -2.502 10.580 1.00 0.00 C ATOM 960 C PRO A 66 1.681 -3.423 9.715 1.00 0.00 C ATOM 961 O PRO A 66 0.771 -4.090 10.207 1.00 0.00 O ATOM 962 CB PRO A 66 3.239 -3.277 11.699 1.00 0.00 C ATOM 963 CG PRO A 66 3.209 -2.363 12.881 1.00 0.00 C ATOM 964 CD PRO A 66 1.953 -1.544 12.745 1.00 0.00 C ATOM 0 HA PRO A 66 3.239 -2.037 9.887 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.725 -4.214 11.912 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.262 -3.530 11.422 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.205 -2.930 13.812 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.091 -1.723 12.901 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.117 -1.998 13.277 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.081 -0.540 13.149 1.00 0.00 H new ATOM 972 N GLU A 67 1.980 -3.441 8.419 1.00 0.00 N ATOM 973 CA GLU A 67 1.246 -4.263 7.464 1.00 0.00 C ATOM 974 C GLU A 67 2.193 -5.197 6.722 1.00 0.00 C ATOM 975 O GLU A 67 3.411 -5.030 6.776 1.00 0.00 O ATOM 976 CB GLU A 67 0.498 -3.377 6.467 1.00 0.00 C ATOM 977 CG GLU A 67 -0.525 -2.460 7.113 1.00 0.00 C ATOM 978 CD GLU A 67 -1.604 -3.224 7.855 1.00 0.00 C ATOM 979 OE1 GLU A 67 -1.748 -4.439 7.606 1.00 0.00 O ATOM 980 OE2 GLU A 67 -2.306 -2.606 8.682 1.00 0.00 O ATOM 0 H GLU A 67 2.732 -2.891 8.004 1.00 0.00 H new ATOM 0 HA GLU A 67 0.523 -4.865 8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.220 -2.772 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.005 -4.011 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.019 -1.788 7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.987 -1.839 6.346 1.00 0.00 H new ATOM 987 N ARG A 68 1.632 -6.186 6.038 1.00 0.00 N ATOM 988 CA ARG A 68 2.433 -7.152 5.299 1.00 0.00 C ATOM 989 C ARG A 68 3.067 -6.518 4.063 1.00 0.00 C ATOM 990 O ARG A 68 2.441 -5.736 3.349 1.00 0.00 O ATOM 991 CB ARG A 68 1.574 -8.345 4.899 1.00 0.00 C ATOM 992 CG ARG A 68 0.930 -9.046 6.084 1.00 0.00 C ATOM 993 CD ARG A 68 0.224 -10.325 5.662 1.00 0.00 C ATOM 994 NE ARG A 68 -0.772 -10.087 4.620 1.00 0.00 N ATOM 995 CZ ARG A 68 -0.517 -10.177 3.317 1.00 0.00 C ATOM 996 NH1 ARG A 68 0.703 -10.481 2.892 1.00 0.00 N ATOM 997 NH2 ARG A 68 -1.485 -9.960 2.437 1.00 0.00 N ATOM 0 H ARG A 68 0.625 -6.340 5.980 1.00 0.00 H new ATOM 0 HA ARG A 68 3.238 -7.493 5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.794 -8.009 4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.189 -9.060 4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.692 -9.279 6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.215 -8.375 6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.961 -11.043 5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.260 -10.774 6.529 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.718 -9.837 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.451 -10.647 3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.893 -10.549 1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.424 -9.724 2.759 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.291 -10.029 1.438 1.00 0.00 H new ATOM 1011 N VAL A 69 4.321 -6.890 3.827 1.00 0.00 N ATOM 1012 CA VAL A 69 5.089 -6.407 2.684 1.00 0.00 C ATOM 1013 C VAL A 69 6.052 -7.482 2.205 1.00 0.00 C ATOM 1014 O VAL A 69 6.111 -8.574 2.773 1.00 0.00 O ATOM 1015 CB VAL A 69 5.902 -5.149 3.031 1.00 0.00 C ATOM 1016 CG1 VAL A 69 4.976 -3.991 3.367 1.00 0.00 C ATOM 1017 CG2 VAL A 69 6.873 -5.437 4.170 1.00 0.00 C ATOM 0 H VAL A 69 4.835 -7.537 4.425 1.00 0.00 H new ATOM 0 HA VAL A 69 4.372 -6.159 1.901 1.00 0.00 H new ATOM 0 HB VAL A 69 6.490 -4.861 2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.569 -3.109 3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.338 -3.774 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.355 -4.258 4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.440 -4.535 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.316 -5.752 5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.559 -6.230 3.872 1.00 0.00 H new ATOM 1027 N CYS A 70 6.828 -7.160 1.177 1.00 0.00 N ATOM 1028 CA CYS A 70 7.815 -8.082 0.643 1.00 0.00 C ATOM 1029 C CYS A 70 9.172 -7.784 1.266 1.00 0.00 C ATOM 1030 O CYS A 70 9.251 -7.101 2.286 1.00 0.00 O ATOM 1031 CB CYS A 70 7.884 -7.989 -0.883 1.00 0.00 C ATOM 1032 SG CYS A 70 8.994 -6.713 -1.509 1.00 0.00 S ATOM 0 H CYS A 70 6.790 -6.261 0.696 1.00 0.00 H new ATOM 0 HA CYS A 70 7.521 -9.101 0.895 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.201 -8.954 -1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.882 -7.801 -1.268 1.00 0.00 H new ATOM 0 HG CYS A 70 8.424 -5.550 -1.400 1.00 0.00 H new ATOM 1038 N ASP A 71 10.234 -8.305 0.674 1.00 0.00 N ATOM 1039 CA ASP A 71 11.571 -8.082 1.217 1.00 0.00 C ATOM 1040 C ASP A 71 12.150 -6.724 0.809 1.00 0.00 C ATOM 1041 O ASP A 71 12.742 -6.029 1.635 1.00 0.00 O ATOM 1042 CB ASP A 71 12.516 -9.207 0.797 1.00 0.00 C ATOM 1043 CG ASP A 71 12.059 -10.563 1.301 1.00 0.00 C ATOM 1044 OD1 ASP A 71 11.133 -10.605 2.136 1.00 0.00 O ATOM 1045 OD2 ASP A 71 12.624 -11.584 0.854 1.00 0.00 O ATOM 0 H ASP A 71 10.203 -8.877 -0.170 1.00 0.00 H new ATOM 0 HA ASP A 71 11.475 -8.079 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.587 -9.231 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.516 -8.999 1.177 1.00 0.00 H new ATOM 1050 N ALA A 72 11.992 -6.349 -0.455 1.00 0.00 N ATOM 1051 CA ALA A 72 12.519 -5.073 -0.937 1.00 0.00 C ATOM 1052 C ALA A 72 11.793 -3.889 -0.304 1.00 0.00 C ATOM 1053 O ALA A 72 12.424 -2.933 0.148 1.00 0.00 O ATOM 1054 CB ALA A 72 12.419 -5.003 -2.453 1.00 0.00 C ATOM 0 H ALA A 72 11.508 -6.903 -1.161 1.00 0.00 H new ATOM 0 HA ALA A 72 13.567 -5.014 -0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.814 -4.048 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.996 -5.816 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.375 -5.094 -2.753 1.00 0.00 H new ATOM 1060 N CYS A 73 10.469 -3.959 -0.271 1.00 0.00 N ATOM 1061 CA CYS A 73 9.661 -2.896 0.311 1.00 0.00 C ATOM 1062 C CYS A 73 9.952 -2.769 1.796 1.00 0.00 C ATOM 1063 O CYS A 73 10.058 -1.662 2.323 1.00 0.00 O ATOM 1064 CB CYS A 73 8.177 -3.175 0.083 1.00 0.00 C ATOM 1065 SG CYS A 73 7.765 -3.499 -1.644 1.00 0.00 S ATOM 0 H CYS A 73 9.931 -4.742 -0.641 1.00 0.00 H new ATOM 0 HA CYS A 73 9.917 -1.955 -0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.879 -4.032 0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.597 -2.321 0.433 1.00 0.00 H new ATOM 0 HG CYS A 73 8.647 -2.935 -2.414 1.00 0.00 H new ATOM 1071 N TYR A 74 10.110 -3.900 2.464 1.00 0.00 N ATOM 1072 CA TYR A 74 10.421 -3.886 3.880 1.00 0.00 C ATOM 1073 C TYR A 74 11.697 -3.084 4.103 1.00 0.00 C ATOM 1074 O TYR A 74 11.809 -2.326 5.064 1.00 0.00 O ATOM 1075 CB TYR A 74 10.586 -5.313 4.412 1.00 0.00 C ATOM 1076 CG TYR A 74 10.884 -5.377 5.894 1.00 0.00 C ATOM 1077 CD1 TYR A 74 9.864 -5.296 6.832 1.00 0.00 C ATOM 1078 CD2 TYR A 74 12.188 -5.515 6.350 1.00 0.00 C ATOM 1079 CE1 TYR A 74 10.135 -5.353 8.186 1.00 0.00 C ATOM 1080 CE2 TYR A 74 12.467 -5.572 7.703 1.00 0.00 C ATOM 1081 CZ TYR A 74 11.437 -5.491 8.616 1.00 0.00 C ATOM 1082 OH TYR A 74 11.710 -5.545 9.963 1.00 0.00 O ATOM 0 H TYR A 74 10.029 -4.830 2.052 1.00 0.00 H new ATOM 0 HA TYR A 74 9.599 -3.420 4.423 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.675 -5.875 4.209 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.392 -5.804 3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.843 -5.187 6.498 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.997 -5.579 5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.330 -5.290 8.904 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.486 -5.679 8.043 1.00 0.00 H new ATOM 0 HH TYR A 74 12.676 -5.645 10.097 1.00 0.00 H new ATOM 1092 N LEU A 75 12.654 -3.264 3.195 1.00 0.00 N ATOM 1093 CA LEU A 75 13.935 -2.566 3.267 1.00 0.00 C ATOM 1094 C LEU A 75 13.813 -1.085 2.917 1.00 0.00 C ATOM 1095 O LEU A 75 14.282 -0.224 3.659 1.00 0.00 O ATOM 1096 CB LEU A 75 14.942 -3.224 2.329 1.00 0.00 C ATOM 1097 CG LEU A 75 15.734 -4.380 2.938 1.00 0.00 C ATOM 1098 CD1 LEU A 75 16.308 -5.268 1.844 1.00 0.00 C ATOM 1099 CD2 LEU A 75 16.843 -3.848 3.835 1.00 0.00 C ATOM 0 H LEU A 75 12.565 -3.892 2.396 1.00 0.00 H new ATOM 0 HA LEU A 75 14.278 -2.636 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.411 -3.590 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.644 -2.465 1.984 1.00 0.00 H new ATOM 0 HG LEU A 75 15.058 -4.981 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.869 -6.086 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.496 -5.675 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.971 -4.681 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.398 -4.683 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.518 -3.225 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.408 -3.254 4.638 1.00 0.00 H new ATOM 1111 N ALA A 76 13.208 -0.792 1.766 1.00 0.00 N ATOM 1112 CA ALA A 76 13.068 0.593 1.321 1.00 0.00 C ATOM 1113 C ALA A 76 12.488 1.455 2.432 1.00 0.00 C ATOM 1114 O ALA A 76 13.042 2.502 2.763 1.00 0.00 O ATOM 1115 CB ALA A 76 12.212 0.674 0.066 1.00 0.00 C ATOM 0 H ALA A 76 12.812 -1.486 1.132 1.00 0.00 H new ATOM 0 HA ALA A 76 14.059 0.976 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.122 1.714 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.679 0.095 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.221 0.271 0.275 1.00 0.00 H new ATOM 1121 N LEU A 77 11.397 1.001 3.031 1.00 0.00 N ATOM 1122 CA LEU A 77 10.795 1.738 4.131 1.00 0.00 C ATOM 1123 C LEU A 77 11.770 1.746 5.299 1.00 0.00 C ATOM 1124 O LEU A 77 11.964 2.754 5.977 1.00 0.00 O ATOM 1125 CB LEU A 77 9.470 1.096 4.539 1.00 0.00 C ATOM 1126 CG LEU A 77 8.399 1.073 3.445 1.00 0.00 C ATOM 1127 CD1 LEU A 77 7.266 0.140 3.837 1.00 0.00 C ATOM 1128 CD2 LEU A 77 7.865 2.474 3.173 1.00 0.00 C ATOM 0 H LEU A 77 10.916 0.138 2.778 1.00 0.00 H new ATOM 0 HA LEU A 77 10.587 2.762 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.663 0.072 4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.075 1.631 5.402 1.00 0.00 H new ATOM 0 HG LEU A 77 8.857 0.703 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.512 0.133 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.656 -0.868 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.816 0.485 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.106 2.429 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.424 2.879 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.682 3.118 2.848 1.00 0.00 H new ATOM 1140 N ARG A 78 12.381 0.588 5.503 1.00 0.00 N ATOM 1141 CA ARG A 78 13.363 0.370 6.559 1.00 0.00 C ATOM 1142 C ARG A 78 14.538 1.340 6.458 1.00 0.00 C ATOM 1143 O ARG A 78 15.250 1.562 7.438 1.00 0.00 O ATOM 1144 CB ARG A 78 13.878 -1.067 6.461 1.00 0.00 C ATOM 1145 CG ARG A 78 14.970 -1.414 7.452 1.00 0.00 C ATOM 1146 CD ARG A 78 15.613 -2.749 7.107 1.00 0.00 C ATOM 1147 NE ARG A 78 16.613 -3.150 8.090 1.00 0.00 N ATOM 1148 CZ ARG A 78 17.040 -4.400 8.235 1.00 0.00 C ATOM 1149 NH1 ARG A 78 16.546 -5.366 7.471 1.00 0.00 N ATOM 1150 NH2 ARG A 78 17.960 -4.685 9.146 1.00 0.00 N ATOM 0 H ARG A 78 12.207 -0.239 4.932 1.00 0.00 H new ATOM 0 HA ARG A 78 12.877 0.544 7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.041 -1.750 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.254 -1.236 5.452 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.728 -0.630 7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.553 -1.456 8.458 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.841 -3.516 7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 78 16.079 -2.683 6.124 1.00 0.00 H new ATOM 0 HE ARG A 78 17.006 -2.432 8.699 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.837 -5.150 6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.875 -6.325 7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 78 18.340 -3.945 9.736 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.288 -5.645 9.257 1.00 0.00 H new ATOM 1164 N SER A 79 14.749 1.906 5.274 1.00 0.00 N ATOM 1165 CA SER A 79 15.854 2.837 5.073 1.00 0.00 C ATOM 1166 C SER A 79 15.365 4.281 5.026 1.00 0.00 C ATOM 1167 O SER A 79 14.213 4.547 4.684 1.00 0.00 O ATOM 1168 CB SER A 79 16.600 2.502 3.780 1.00 0.00 C ATOM 1169 OG SER A 79 15.801 2.783 2.644 1.00 0.00 O ATOM 0 H SER A 79 14.176 1.739 4.447 1.00 0.00 H new ATOM 0 HA SER A 79 16.532 2.734 5.920 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.524 3.078 3.730 1.00 0.00 H new ATOM 0 HB3 SER A 79 16.880 1.449 3.780 1.00 0.00 H new ATOM 0 HG SER A 79 14.854 2.692 2.880 1.00 0.00 H new ATOM 1175 N SER A 80 16.255 5.211 5.367 1.00 0.00 N ATOM 1176 CA SER A 80 15.923 6.629 5.360 1.00 0.00 C ATOM 1177 C SER A 80 16.999 7.430 4.632 1.00 0.00 C ATOM 1178 O SER A 80 18.151 7.004 4.549 1.00 0.00 O ATOM 1179 CB SER A 80 15.763 7.145 6.790 1.00 0.00 C ATOM 1180 OG SER A 80 17.012 7.206 7.457 1.00 0.00 O ATOM 0 H SER A 80 17.212 5.005 5.652 1.00 0.00 H new ATOM 0 HA SER A 80 14.978 6.756 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.308 8.136 6.773 1.00 0.00 H new ATOM 0 HB3 SER A 80 15.085 6.493 7.341 1.00 0.00 H new ATOM 0 HG SER A 80 16.880 7.541 8.369 1.00 0.00 H new ATOM 1186 N ASN A 81 16.618 8.589 4.104 1.00 0.00 N ATOM 1187 CA ASN A 81 17.553 9.446 3.383 1.00 0.00 C ATOM 1188 C ASN A 81 18.178 10.478 4.315 1.00 0.00 C ATOM 1189 O ASN A 81 17.504 11.032 5.184 1.00 0.00 O ATOM 1190 CB ASN A 81 16.843 10.154 2.227 1.00 0.00 C ATOM 1191 CG ASN A 81 16.326 9.183 1.185 1.00 0.00 C ATOM 1192 OD1 ASN A 81 16.760 8.033 1.120 1.00 0.00 O ATOM 1193 ND2 ASN A 81 15.389 9.642 0.361 1.00 0.00 N ATOM 0 H ASN A 81 15.668 8.956 4.162 1.00 0.00 H new ATOM 0 HA ASN A 81 18.347 8.815 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.011 10.739 2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 81 17.532 10.855 1.756 1.00 0.00 H new ATOM 0 HD21 ASN A 81 15.001 9.034 -0.360 1.00 0.00 H new ATOM 0 HD22 ASN A 81 15.058 10.603 0.450 1.00 0.00 H new ATOM 1200 N MET A 82 19.469 10.734 4.129 1.00 0.00 N ATOM 1201 CA MET A 82 20.182 11.703 4.952 1.00 0.00 C ATOM 1202 C MET A 82 19.548 13.085 4.829 1.00 0.00 C ATOM 1203 O MET A 82 19.520 13.855 5.787 1.00 0.00 O ATOM 1204 CB MET A 82 21.654 11.769 4.546 1.00 0.00 C ATOM 1205 CG MET A 82 22.420 10.485 4.813 1.00 0.00 C ATOM 1206 SD MET A 82 24.183 10.657 4.488 1.00 0.00 S ATOM 1207 CE MET A 82 24.156 11.174 2.773 1.00 0.00 C ATOM 0 H MET A 82 20.042 10.284 3.416 1.00 0.00 H new ATOM 0 HA MET A 82 20.115 11.379 5.991 1.00 0.00 H new ATOM 0 HB2 MET A 82 21.718 12.006 3.484 1.00 0.00 H new ATOM 0 HB3 MET A 82 22.134 12.586 5.084 1.00 0.00 H new ATOM 0 HG2 MET A 82 22.272 10.186 5.851 1.00 0.00 H new ATOM 0 HG3 MET A 82 22.015 9.687 4.191 1.00 0.00 H new ATOM 0 HE1 MET A 82 25.140 11.017 2.330 1.00 0.00 H new ATOM 0 HE2 MET A 82 23.415 10.589 2.228 1.00 0.00 H new ATOM 0 HE3 MET A 82 23.897 12.231 2.716 1.00 0.00 H new ATOM 1217 N ALA A 83 19.039 13.388 3.638 1.00 0.00 N ATOM 1218 CA ALA A 83 18.403 14.675 3.384 1.00 0.00 C ATOM 1219 C ALA A 83 17.171 14.857 4.262 1.00 0.00 C ATOM 1220 O ALA A 83 16.769 15.983 4.559 1.00 0.00 O ATOM 1221 CB ALA A 83 18.028 14.794 1.914 1.00 0.00 C ATOM 0 H ALA A 83 19.055 12.760 2.835 1.00 0.00 H new ATOM 0 HA ALA A 83 19.114 15.463 3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 83 17.554 15.759 1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 83 18.926 14.713 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 83 17.335 13.995 1.649 1.00 0.00 H new ATOM 1227 N GLY A 84 16.574 13.744 4.676 1.00 0.00 N ATOM 1228 CA GLY A 84 15.395 13.807 5.519 1.00 0.00 C ATOM 1229 C GLY A 84 15.742 13.922 6.990 1.00 0.00 C ATOM 1230 O GLY A 84 16.147 15.023 7.417 1.00 0.00 O ATOM 1231 OXT GLY A 84 15.610 12.913 7.713 1.00 0.00 O ATOM 0 H GLY A 84 16.885 12.801 4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.786 14.662 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.790 12.915 5.360 1.00 0.00 H new TER 1235 GLY A 84