USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 645 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 43 THR OG1 : rot -130:sc= -0.186 USER MOD Set 1.2: A 62 CYS SG : rot -88:sc= -3.59 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0 (180deg=-0.197) USER MOD Single : A 2 ASN :FLIP amide:sc=-0.00509 F(o=-1.2!,f=-0.0051) USER MOD Single : A 5 HIS : no HD1:sc= -0.503 X(o=-0.5,f=-0.015) USER MOD Single : A 6 TYR OH : rot 153:sc= 0.0515 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= 0.0118 K(o=0.012,f=-1.4) USER MOD Single : A 16 GLN : amide:sc= -1.84 K(o=-1.8,f=-3.3!) USER MOD Single : A 17 TYR OH : rot -5:sc= -2.31! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -27:sc= -0.741 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 93:sc= 0.24 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc=-0.00264 USER MOD Single : A 70 HIS : no HD1:sc= -0.082 K(o=-0.082,f=-1.7) USER MOD Single : A 74 HIS : no HD1:sc= -0.0226 X(o=-0.023,f=-0.37) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.349 -2.744 -12.853 1.00 0.00 N ATOM 2 CA MET A 1 3.658 -3.440 -12.696 1.00 0.00 C ATOM 3 C MET A 1 4.732 -2.399 -12.382 1.00 0.00 C ATOM 4 O MET A 1 5.618 -2.625 -11.583 1.00 0.00 O ATOM 5 CB MET A 1 4.013 -4.163 -14.003 1.00 0.00 C ATOM 6 CG MET A 1 5.305 -4.963 -13.816 1.00 0.00 C ATOM 7 SD MET A 1 5.708 -5.826 -15.357 1.00 0.00 S ATOM 8 CE MET A 1 4.825 -7.365 -14.997 1.00 0.00 C ATOM 0 H1 MET A 1 1.579 -3.443 -12.830 1.00 0.00 H new ATOM 0 H2 MET A 1 2.222 -2.064 -12.077 1.00 0.00 H new ATOM 0 H3 MET A 1 2.331 -2.239 -13.762 1.00 0.00 H new ATOM 0 HA MET A 1 3.598 -4.169 -11.888 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.200 -4.829 -14.294 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.136 -3.439 -14.809 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.121 -4.297 -13.536 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.187 -5.681 -13.005 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.942 -8.056 -15.832 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.234 -7.816 -14.093 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.766 -7.151 -14.849 1.00 0.00 H new ATOM 20 N ASN A 2 4.649 -1.260 -13.012 1.00 0.00 N ATOM 21 CA ASN A 2 5.655 -0.180 -12.779 1.00 0.00 C ATOM 22 C ASN A 2 5.296 0.605 -11.519 1.00 0.00 C ATOM 23 O ASN A 2 4.144 0.856 -11.229 1.00 0.00 O ATOM 24 CB ASN A 2 5.671 0.767 -13.984 1.00 0.00 C ATOM 25 CG ASN A 2 6.220 0.038 -15.216 1.00 0.00 C ATOM 26 OD1 ASN A 2 7.022 -0.979 -15.064 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 5.914 0.403 -16.334 1.00 0.00 N flip ATOM 0 H ASN A 2 3.920 -1.027 -13.686 1.00 0.00 H new ATOM 0 HA ASN A 2 6.640 -0.629 -12.650 1.00 0.00 H new ATOM 0 HB2 ASN A 2 4.663 1.130 -14.185 1.00 0.00 H new ATOM 0 HB3 ASN A 2 6.286 1.639 -13.763 1.00 0.00 H new ATOM 0 HD21 ASN A 2 5.287 1.198 -16.457 1.00 0.00 H new ATOM 0 HD22 ASN A 2 6.284 -0.086 -17.149 1.00 0.00 H new ATOM 34 N VAL A 3 6.292 0.991 -10.770 1.00 0.00 N ATOM 35 CA VAL A 3 6.053 1.756 -9.513 1.00 0.00 C ATOM 36 C VAL A 3 5.856 3.232 -9.832 1.00 0.00 C ATOM 37 O VAL A 3 6.583 3.823 -10.603 1.00 0.00 O ATOM 38 CB VAL A 3 7.248 1.584 -8.569 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.498 0.092 -8.337 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.501 2.219 -9.182 1.00 0.00 C ATOM 0 H VAL A 3 7.273 0.807 -10.978 1.00 0.00 H new ATOM 0 HA VAL A 3 5.154 1.375 -9.029 1.00 0.00 H new ATOM 0 HB VAL A 3 7.027 2.075 -7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.348 -0.035 -7.666 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.612 -0.360 -7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.712 -0.393 -9.289 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.344 2.091 -8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.725 1.736 -10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.327 3.282 -9.347 1.00 0.00 H new ATOM 50 N ALA A 4 4.858 3.823 -9.239 1.00 0.00 N ATOM 51 CA ALA A 4 4.563 5.264 -9.485 1.00 0.00 C ATOM 52 C ALA A 4 5.249 6.124 -8.436 1.00 0.00 C ATOM 53 O ALA A 4 5.619 5.663 -7.378 1.00 0.00 O ATOM 54 CB ALA A 4 3.053 5.492 -9.413 1.00 0.00 C ATOM 0 H ALA A 4 4.224 3.363 -8.585 1.00 0.00 H new ATOM 0 HA ALA A 4 4.934 5.539 -10.472 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.835 6.545 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.557 4.885 -10.170 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.689 5.209 -8.425 1.00 0.00 H new ATOM 60 N HIS A 5 5.415 7.379 -8.736 1.00 0.00 N ATOM 61 CA HIS A 5 6.081 8.317 -7.784 1.00 0.00 C ATOM 62 C HIS A 5 5.051 9.264 -7.188 1.00 0.00 C ATOM 63 O HIS A 5 4.083 9.636 -7.820 1.00 0.00 O ATOM 64 CB HIS A 5 7.144 9.125 -8.528 1.00 0.00 C ATOM 65 CG HIS A 5 8.234 8.201 -8.999 1.00 0.00 C ATOM 66 ND1 HIS A 5 9.234 8.620 -9.862 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.494 6.877 -8.739 1.00 0.00 C ATOM 68 CE1 HIS A 5 10.042 7.568 -10.087 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.635 6.481 -9.428 1.00 0.00 N ATOM 0 H HIS A 5 5.114 7.804 -9.613 1.00 0.00 H new ATOM 0 HA HIS A 5 6.549 7.745 -6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.696 9.640 -9.378 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.559 9.891 -7.873 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.902 6.241 -8.097 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.914 7.599 -10.723 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.068 5.558 -9.429 1.00 0.00 H new ATOM 77 N TYR A 6 5.263 9.650 -5.963 1.00 0.00 N ATOM 78 CA TYR A 6 4.315 10.576 -5.288 1.00 0.00 C ATOM 79 C TYR A 6 5.053 11.407 -4.235 1.00 0.00 C ATOM 80 O TYR A 6 5.612 10.891 -3.286 1.00 0.00 O ATOM 81 CB TYR A 6 3.202 9.768 -4.624 1.00 0.00 C ATOM 82 CG TYR A 6 2.123 10.711 -4.142 1.00 0.00 C ATOM 83 CD1 TYR A 6 1.288 11.348 -5.069 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.958 10.951 -2.773 1.00 0.00 C ATOM 85 CE1 TYR A 6 0.289 12.223 -4.626 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.959 11.823 -2.332 1.00 0.00 C ATOM 87 CZ TYR A 6 0.125 12.460 -3.257 1.00 0.00 C ATOM 88 OH TYR A 6 -0.861 13.322 -2.819 1.00 0.00 O ATOM 0 H TYR A 6 6.060 9.361 -5.395 1.00 0.00 H new ATOM 0 HA TYR A 6 3.883 11.250 -6.028 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.785 9.051 -5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.602 9.195 -3.787 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.415 11.164 -6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.603 10.462 -2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.355 12.715 -5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.831 12.005 -1.275 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.135 13.072 -1.912 1.00 0.00 H new ATOM 98 N ARG A 7 5.038 12.696 -4.416 1.00 0.00 N ATOM 99 CA ARG A 7 5.708 13.630 -3.466 1.00 0.00 C ATOM 100 C ARG A 7 7.106 13.123 -3.116 1.00 0.00 C ATOM 101 O ARG A 7 7.606 13.347 -2.033 1.00 0.00 O ATOM 102 CB ARG A 7 4.857 13.773 -2.201 1.00 0.00 C ATOM 103 CG ARG A 7 3.519 14.429 -2.562 1.00 0.00 C ATOM 104 CD ARG A 7 2.632 14.526 -1.313 1.00 0.00 C ATOM 105 NE ARG A 7 3.262 15.455 -0.326 1.00 0.00 N ATOM 106 CZ ARG A 7 2.724 15.641 0.856 1.00 0.00 C ATOM 107 NH1 ARG A 7 1.624 15.017 1.198 1.00 0.00 N ATOM 108 NH2 ARG A 7 3.292 16.456 1.700 1.00 0.00 N ATOM 0 H ARG A 7 4.578 13.154 -5.202 1.00 0.00 H new ATOM 0 HA ARG A 7 5.810 14.607 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.686 12.795 -1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.383 14.376 -1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.691 15.423 -2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.014 13.846 -3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.640 14.886 -1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.502 13.539 -0.868 1.00 0.00 H new ATOM 0 HE ARG A 7 4.119 15.949 -0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.175 14.377 0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.216 15.171 2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.149 16.944 1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.879 16.606 2.621 1.00 0.00 H new ATOM 122 N GLY A 8 7.747 12.462 -4.042 1.00 0.00 N ATOM 123 CA GLY A 8 9.133 11.950 -3.802 1.00 0.00 C ATOM 124 C GLY A 8 9.070 10.496 -3.338 1.00 0.00 C ATOM 125 O GLY A 8 10.021 9.753 -3.471 1.00 0.00 O ATOM 0 H GLY A 8 7.368 12.251 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.722 12.025 -4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.632 12.561 -3.050 1.00 0.00 H new ATOM 129 N TYR A 9 7.958 10.089 -2.791 1.00 0.00 N ATOM 130 CA TYR A 9 7.821 8.685 -2.302 1.00 0.00 C ATOM 131 C TYR A 9 7.429 7.761 -3.449 1.00 0.00 C ATOM 132 O TYR A 9 6.643 8.106 -4.307 1.00 0.00 O ATOM 133 CB TYR A 9 6.754 8.626 -1.204 1.00 0.00 C ATOM 134 CG TYR A 9 7.296 9.251 0.060 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.213 10.636 0.256 1.00 0.00 C ATOM 136 CD2 TYR A 9 7.884 8.440 1.040 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.718 11.207 1.431 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.388 9.013 2.214 1.00 0.00 C ATOM 139 CZ TYR A 9 8.305 10.396 2.410 1.00 0.00 C ATOM 140 OH TYR A 9 8.803 10.961 3.566 1.00 0.00 O ATOM 0 H TYR A 9 7.131 10.672 -2.660 1.00 0.00 H new ATOM 0 HA TYR A 9 8.779 8.356 -1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.856 9.153 -1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.467 7.591 -1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.760 11.263 -0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.948 7.372 0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.655 12.274 1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.841 8.387 2.969 1.00 0.00 H new ATOM 0 HH TYR A 9 9.175 10.259 4.139 1.00 0.00 H new ATOM 150 N GLU A 10 7.981 6.579 -3.456 1.00 0.00 N ATOM 151 CA GLU A 10 7.674 5.593 -4.535 1.00 0.00 C ATOM 152 C GLU A 10 6.551 4.673 -4.084 1.00 0.00 C ATOM 153 O GLU A 10 6.492 4.246 -2.949 1.00 0.00 O ATOM 154 CB GLU A 10 8.920 4.758 -4.840 1.00 0.00 C ATOM 155 CG GLU A 10 9.979 5.640 -5.504 1.00 0.00 C ATOM 156 CD GLU A 10 11.248 4.820 -5.755 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.252 3.649 -5.414 1.00 0.00 O ATOM 158 OE2 GLU A 10 12.194 5.379 -6.285 1.00 0.00 O ATOM 0 H GLU A 10 8.640 6.249 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 10 7.367 6.130 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.316 4.327 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.661 3.927 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.598 6.037 -6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.206 6.495 -4.867 1.00 0.00 H new ATOM 165 N ILE A 11 5.661 4.363 -4.986 1.00 0.00 N ATOM 166 CA ILE A 11 4.510 3.465 -4.665 1.00 0.00 C ATOM 167 C ILE A 11 4.600 2.197 -5.500 1.00 0.00 C ATOM 168 O ILE A 11 4.738 2.236 -6.707 1.00 0.00 O ATOM 169 CB ILE A 11 3.198 4.187 -4.976 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.052 5.391 -4.041 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.030 3.224 -4.760 1.00 0.00 C ATOM 172 CD1 ILE A 11 1.876 6.257 -4.496 1.00 0.00 C ATOM 0 H ILE A 11 5.681 4.699 -5.949 1.00 0.00 H new ATOM 0 HA ILE A 11 4.541 3.203 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 11 3.199 4.529 -6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.892 5.052 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.970 5.978 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.092 3.734 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.140 2.365 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.024 2.886 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.775 7.113 -3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.055 6.608 -5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.959 5.668 -4.472 1.00 0.00 H new ATOM 184 N GLU A 12 4.510 1.069 -4.849 1.00 0.00 N ATOM 185 CA GLU A 12 4.576 -0.242 -5.558 1.00 0.00 C ATOM 186 C GLU A 12 3.313 -1.055 -5.227 1.00 0.00 C ATOM 187 O GLU A 12 3.241 -1.702 -4.198 1.00 0.00 O ATOM 188 CB GLU A 12 5.814 -1.006 -5.112 1.00 0.00 C ATOM 189 CG GLU A 12 5.812 -2.390 -5.770 1.00 0.00 C ATOM 190 CD GLU A 12 7.164 -3.070 -5.549 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.680 -2.975 -4.449 1.00 0.00 O ATOM 192 OE2 GLU A 12 7.657 -3.680 -6.484 1.00 0.00 O ATOM 0 H GLU A 12 4.391 0.999 -3.838 1.00 0.00 H new ATOM 0 HA GLU A 12 4.633 -0.076 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.715 -0.458 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.824 -1.105 -4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.014 -3.002 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.612 -2.295 -6.837 1.00 0.00 H new ATOM 199 N PRO A 13 2.315 -1.011 -6.083 1.00 0.00 N ATOM 200 CA PRO A 13 1.033 -1.745 -5.871 1.00 0.00 C ATOM 201 C PRO A 13 1.158 -3.241 -6.149 1.00 0.00 C ATOM 202 O PRO A 13 1.994 -3.678 -6.913 1.00 0.00 O ATOM 203 CB PRO A 13 0.067 -1.078 -6.860 1.00 0.00 C ATOM 204 CG PRO A 13 0.932 -0.555 -7.963 1.00 0.00 C ATOM 205 CD PRO A 13 2.301 -0.261 -7.351 1.00 0.00 C ATOM 0 HA PRO A 13 0.700 -1.688 -4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.664 -1.792 -7.238 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.491 -0.273 -6.382 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.017 -1.286 -8.767 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.501 0.347 -8.397 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.107 -0.584 -8.010 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.437 0.807 -7.181 1.00 0.00 H new ATOM 213 N GLY A 14 0.315 -4.021 -5.539 1.00 0.00 N ATOM 214 CA GLY A 14 0.354 -5.493 -5.761 1.00 0.00 C ATOM 215 C GLY A 14 -0.437 -6.193 -4.656 1.00 0.00 C ATOM 216 O GLY A 14 0.068 -6.460 -3.584 1.00 0.00 O ATOM 0 H GLY A 14 -0.405 -3.702 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.068 -5.736 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.386 -5.845 -5.764 1.00 0.00 H new ATOM 220 N HIS A 15 -1.678 -6.493 -4.925 1.00 0.00 N ATOM 221 CA HIS A 15 -2.540 -7.176 -3.917 1.00 0.00 C ATOM 222 C HIS A 15 -1.794 -8.358 -3.312 1.00 0.00 C ATOM 223 O HIS A 15 -1.001 -9.010 -3.958 1.00 0.00 O ATOM 224 CB HIS A 15 -3.825 -7.669 -4.597 1.00 0.00 C ATOM 225 CG HIS A 15 -3.509 -8.783 -5.558 1.00 0.00 C ATOM 226 ND1 HIS A 15 -3.048 -8.544 -6.842 1.00 0.00 N ATOM 227 CD2 HIS A 15 -3.590 -10.150 -5.438 1.00 0.00 C ATOM 228 CE1 HIS A 15 -2.871 -9.737 -7.440 1.00 0.00 C ATOM 229 NE2 HIS A 15 -3.187 -10.750 -6.628 1.00 0.00 N ATOM 0 H HIS A 15 -2.138 -6.291 -5.813 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.794 -6.473 -3.124 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.533 -8.017 -3.845 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.303 -6.846 -5.128 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -2.874 -7.630 -7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.917 -10.678 -4.555 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.517 -9.860 -8.453 1.00 0.00 H new ATOM 237 N GLN A 16 -2.049 -8.628 -2.063 1.00 0.00 N ATOM 238 CA GLN A 16 -1.364 -9.759 -1.378 1.00 0.00 C ATOM 239 C GLN A 16 -2.303 -10.385 -0.347 1.00 0.00 C ATOM 240 O GLN A 16 -3.255 -9.769 0.120 1.00 0.00 O ATOM 241 CB GLN A 16 -0.103 -9.249 -0.680 1.00 0.00 C ATOM 242 CG GLN A 16 0.722 -10.444 -0.197 1.00 0.00 C ATOM 243 CD GLN A 16 2.067 -9.964 0.351 1.00 0.00 C ATOM 244 OE1 GLN A 16 2.512 -8.877 0.038 1.00 0.00 O ATOM 245 NE2 GLN A 16 2.738 -10.736 1.161 1.00 0.00 N ATOM 0 H GLN A 16 -2.708 -8.109 -1.482 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.089 -10.512 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.485 -8.639 -1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.372 -8.612 0.163 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.177 -10.984 0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.883 -11.141 -1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.364 -11.648 1.423 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.637 -10.428 1.532 1.00 0.00 H new ATOM 254 N TYR A 17 -2.035 -11.617 0.003 1.00 0.00 N ATOM 255 CA TYR A 17 -2.883 -12.337 0.996 1.00 0.00 C ATOM 256 C TYR A 17 -2.191 -12.338 2.355 1.00 0.00 C ATOM 257 O TYR A 17 -1.096 -12.843 2.515 1.00 0.00 O ATOM 258 CB TYR A 17 -3.102 -13.775 0.526 1.00 0.00 C ATOM 259 CG TYR A 17 -4.044 -14.467 1.480 1.00 0.00 C ATOM 260 CD1 TYR A 17 -5.425 -14.332 1.313 1.00 0.00 C ATOM 261 CD2 TYR A 17 -3.538 -15.238 2.533 1.00 0.00 C ATOM 262 CE1 TYR A 17 -6.304 -14.970 2.195 1.00 0.00 C ATOM 263 CE2 TYR A 17 -4.416 -15.875 3.417 1.00 0.00 C ATOM 264 CZ TYR A 17 -5.799 -15.741 3.247 1.00 0.00 C ATOM 265 OH TYR A 17 -6.666 -16.367 4.118 1.00 0.00 O ATOM 0 H TYR A 17 -1.253 -12.161 -0.363 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.846 -11.835 1.086 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.515 -13.782 -0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.151 -14.306 0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.814 -13.734 0.502 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.471 -15.341 2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.371 -14.867 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.027 -16.470 4.230 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.587 -16.105 3.908 1.00 0.00 H new ATOM 275 N ARG A 18 -2.839 -11.767 3.332 1.00 0.00 N ATOM 276 CA ARG A 18 -2.256 -11.700 4.708 1.00 0.00 C ATOM 277 C ARG A 18 -2.785 -12.854 5.556 1.00 0.00 C ATOM 278 O ARG A 18 -3.951 -13.188 5.526 1.00 0.00 O ATOM 279 CB ARG A 18 -2.636 -10.365 5.360 1.00 0.00 C ATOM 280 CG ARG A 18 -1.946 -9.215 4.616 1.00 0.00 C ATOM 281 CD ARG A 18 -2.319 -7.873 5.263 1.00 0.00 C ATOM 282 NE ARG A 18 -1.714 -7.792 6.626 1.00 0.00 N ATOM 283 CZ ARG A 18 -1.961 -6.767 7.405 1.00 0.00 C ATOM 284 NH1 ARG A 18 -2.740 -5.795 7.003 1.00 0.00 N ATOM 285 NH2 ARG A 18 -1.422 -6.714 8.590 1.00 0.00 N ATOM 0 H ARG A 18 -3.759 -11.338 3.237 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.171 -11.777 4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.717 -10.231 5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.339 -10.363 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.865 -9.352 4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.244 -9.218 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.963 -7.048 4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.403 -7.777 5.328 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.103 -8.541 6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.162 -5.830 6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.925 -5.002 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.812 -7.467 8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.610 -5.919 9.201 1.00 0.00 H new ATOM 299 N ASP A 19 -1.917 -13.459 6.318 1.00 0.00 N ATOM 300 CA ASP A 19 -2.324 -14.596 7.190 1.00 0.00 C ATOM 301 C ASP A 19 -2.989 -14.048 8.456 1.00 0.00 C ATOM 302 O ASP A 19 -3.774 -14.719 9.095 1.00 0.00 O ATOM 303 CB ASP A 19 -1.078 -15.403 7.581 1.00 0.00 C ATOM 304 CG ASP A 19 -0.568 -16.182 6.364 1.00 0.00 C ATOM 305 OD1 ASP A 19 -1.293 -16.256 5.387 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.540 -16.689 6.434 1.00 0.00 O ATOM 0 H ASP A 19 -0.929 -13.210 6.374 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.025 -15.237 6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.300 -14.734 7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.317 -16.091 8.392 1.00 0.00 H new ATOM 311 N ASP A 20 -2.677 -12.832 8.816 1.00 0.00 N ATOM 312 CA ASP A 20 -3.276 -12.217 10.040 1.00 0.00 C ATOM 313 C ASP A 20 -4.790 -12.106 9.870 1.00 0.00 C ATOM 314 O ASP A 20 -5.543 -12.428 10.765 1.00 0.00 O ATOM 315 CB ASP A 20 -2.685 -10.816 10.238 1.00 0.00 C ATOM 316 CG ASP A 20 -3.339 -10.136 11.446 1.00 0.00 C ATOM 317 OD1 ASP A 20 -4.021 -10.820 12.190 1.00 0.00 O ATOM 318 OD2 ASP A 20 -3.145 -8.940 11.605 1.00 0.00 O ATOM 0 H ASP A 20 -2.026 -12.231 8.310 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.054 -12.839 10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.608 -10.885 10.388 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.844 -10.216 9.342 1.00 0.00 H new ATOM 323 N ILE A 21 -5.241 -11.657 8.726 1.00 0.00 N ATOM 324 CA ILE A 21 -6.716 -11.522 8.478 1.00 0.00 C ATOM 325 C ILE A 21 -7.169 -12.621 7.514 1.00 0.00 C ATOM 326 O ILE A 21 -8.325 -12.701 7.149 1.00 0.00 O ATOM 327 CB ILE A 21 -7.017 -10.139 7.882 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.035 -9.829 6.743 1.00 0.00 C ATOM 329 CG2 ILE A 21 -6.874 -9.081 8.982 1.00 0.00 C ATOM 330 CD1 ILE A 21 -6.502 -8.579 5.989 1.00 0.00 C ATOM 0 H ILE A 21 -4.649 -11.375 7.945 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.257 -11.624 9.419 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.032 -10.130 7.484 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.034 -9.671 7.145 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.974 -10.677 6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.086 -8.095 8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.577 -9.296 9.787 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.857 -9.099 9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.804 -8.360 5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.495 -8.754 5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.540 -7.733 6.675 1.00 0.00 H new ATOM 342 N ARG A 22 -6.258 -13.468 7.106 1.00 0.00 N ATOM 343 CA ARG A 22 -6.598 -14.581 6.169 1.00 0.00 C ATOM 344 C ARG A 22 -7.517 -14.063 5.068 1.00 0.00 C ATOM 345 O ARG A 22 -8.447 -14.725 4.651 1.00 0.00 O ATOM 346 CB ARG A 22 -7.275 -15.718 6.941 1.00 0.00 C ATOM 347 CG ARG A 22 -6.252 -16.359 7.885 1.00 0.00 C ATOM 348 CD ARG A 22 -6.898 -17.525 8.636 1.00 0.00 C ATOM 349 NE ARG A 22 -7.956 -17.009 9.552 1.00 0.00 N ATOM 350 CZ ARG A 22 -7.636 -16.404 10.670 1.00 0.00 C ATOM 351 NH1 ARG A 22 -6.383 -16.244 11.007 1.00 0.00 N ATOM 352 NH2 ARG A 22 -8.580 -15.965 11.454 1.00 0.00 N ATOM 0 H ARG A 22 -5.278 -13.434 7.387 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.685 -14.964 5.712 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.123 -15.335 7.509 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.666 -16.463 6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.391 -16.713 7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.883 -15.618 8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.330 -18.232 7.927 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.143 -18.066 9.206 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.939 -17.128 9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.643 -16.591 10.398 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.146 -15.772 11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.558 -16.093 11.196 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.340 -15.493 12.326 1.00 0.00 H new ATOM 366 N LYS A 23 -7.252 -12.874 4.597 1.00 0.00 N ATOM 367 CA LYS A 23 -8.092 -12.282 3.519 1.00 0.00 C ATOM 368 C LYS A 23 -7.232 -11.422 2.591 1.00 0.00 C ATOM 369 O LYS A 23 -6.139 -11.002 2.934 1.00 0.00 O ATOM 370 CB LYS A 23 -9.184 -11.408 4.155 1.00 0.00 C ATOM 371 CG LYS A 23 -10.377 -11.284 3.192 1.00 0.00 C ATOM 372 CD LYS A 23 -11.325 -12.473 3.386 1.00 0.00 C ATOM 373 CE LYS A 23 -12.538 -12.315 2.472 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.466 -13.463 2.678 1.00 0.00 N ATOM 0 H LYS A 23 -6.484 -12.284 4.916 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.547 -13.084 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.510 -11.846 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.785 -10.420 4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.908 -10.350 3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.023 -11.253 2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.806 -13.405 3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.646 -12.530 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.049 -11.377 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.219 -12.273 1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.293 -13.357 2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.975 -14.351 2.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.779 -13.483 3.670 1.00 0.00 H new ATOM 388 N TYR A 24 -7.736 -11.151 1.414 1.00 0.00 N ATOM 389 CA TYR A 24 -6.984 -10.321 0.436 1.00 0.00 C ATOM 390 C TYR A 24 -7.262 -8.847 0.702 1.00 0.00 C ATOM 391 O TYR A 24 -8.398 -8.422 0.865 1.00 0.00 O ATOM 392 CB TYR A 24 -7.424 -10.677 -0.990 1.00 0.00 C ATOM 393 CG TYR A 24 -7.043 -12.107 -1.298 1.00 0.00 C ATOM 394 CD1 TYR A 24 -7.910 -13.156 -0.964 1.00 0.00 C ATOM 395 CD2 TYR A 24 -5.820 -12.382 -1.922 1.00 0.00 C ATOM 396 CE1 TYR A 24 -7.554 -14.480 -1.256 1.00 0.00 C ATOM 397 CE2 TYR A 24 -5.464 -13.706 -2.212 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.330 -14.754 -1.879 1.00 0.00 C ATOM 399 OH TYR A 24 -5.979 -16.058 -2.166 1.00 0.00 O ATOM 0 H TYR A 24 -8.647 -11.475 1.089 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.917 -10.515 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.502 -10.548 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.953 -10.003 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.853 -12.944 -0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.151 -11.574 -2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.223 -15.288 -1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.520 -13.918 -2.693 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.100 -16.072 -2.599 1.00 0.00 H new ATOM 409 N VAL A 25 -6.218 -8.062 0.739 1.00 0.00 N ATOM 410 CA VAL A 25 -6.379 -6.602 0.990 1.00 0.00 C ATOM 411 C VAL A 25 -5.283 -5.821 0.244 1.00 0.00 C ATOM 412 O VAL A 25 -4.178 -6.303 0.077 1.00 0.00 O ATOM 413 CB VAL A 25 -6.265 -6.316 2.491 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.456 -6.946 3.212 1.00 0.00 C ATOM 415 CG2 VAL A 25 -4.964 -6.904 3.046 1.00 0.00 C ATOM 0 H VAL A 25 -5.256 -8.372 0.605 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.360 -6.289 0.632 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.260 -5.238 2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.381 -6.746 4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.382 -6.519 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.455 -8.023 3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.896 -6.694 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.955 -7.982 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.114 -6.455 2.533 1.00 0.00 H new ATOM 425 N PRO A 26 -5.581 -4.618 -0.187 1.00 0.00 N ATOM 426 CA PRO A 26 -4.603 -3.754 -0.902 1.00 0.00 C ATOM 427 C PRO A 26 -3.222 -3.803 -0.255 1.00 0.00 C ATOM 428 O PRO A 26 -3.018 -3.311 0.835 1.00 0.00 O ATOM 429 CB PRO A 26 -5.215 -2.351 -0.790 1.00 0.00 C ATOM 430 CG PRO A 26 -6.691 -2.566 -0.643 1.00 0.00 C ATOM 431 CD PRO A 26 -6.886 -3.960 -0.046 1.00 0.00 C ATOM 0 HA PRO A 26 -4.444 -4.072 -1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.810 -1.814 0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.992 -1.754 -1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.128 -1.806 0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.190 -2.488 -1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.189 -3.903 1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.665 -4.510 -0.574 1.00 0.00 H new ATOM 439 N TYR A 27 -2.279 -4.401 -0.927 1.00 0.00 N ATOM 440 CA TYR A 27 -0.895 -4.511 -0.378 1.00 0.00 C ATOM 441 C TYR A 27 0.079 -3.779 -1.285 1.00 0.00 C ATOM 442 O TYR A 27 0.213 -4.078 -2.455 1.00 0.00 O ATOM 443 CB TYR A 27 -0.511 -5.987 -0.290 1.00 0.00 C ATOM 444 CG TYR A 27 0.834 -6.112 0.386 1.00 0.00 C ATOM 445 CD1 TYR A 27 2.008 -6.066 -0.376 1.00 0.00 C ATOM 446 CD2 TYR A 27 0.907 -6.267 1.775 1.00 0.00 C ATOM 447 CE1 TYR A 27 3.255 -6.176 0.252 1.00 0.00 C ATOM 448 CE2 TYR A 27 2.152 -6.378 2.402 1.00 0.00 C ATOM 449 CZ TYR A 27 3.327 -6.332 1.641 1.00 0.00 C ATOM 450 OH TYR A 27 4.556 -6.437 2.260 1.00 0.00 O ATOM 0 H TYR A 27 -2.408 -4.825 -1.846 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.857 -4.062 0.614 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.266 -6.538 0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.472 -6.425 -1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.952 -5.946 -1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.002 -6.301 2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.161 -6.140 -0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.208 -6.499 3.474 1.00 0.00 H new ATOM 0 HH TYR A 27 5.208 -6.810 1.631 1.00 0.00 H new ATOM 460 N ALA A 28 0.770 -2.816 -0.738 1.00 0.00 N ATOM 461 CA ALA A 28 1.763 -2.043 -1.544 1.00 0.00 C ATOM 462 C ALA A 28 2.979 -1.706 -0.689 1.00 0.00 C ATOM 463 O ALA A 28 2.902 -1.607 0.518 1.00 0.00 O ATOM 464 CB ALA A 28 1.114 -0.750 -2.057 1.00 0.00 C ATOM 0 H ALA A 28 0.690 -2.529 0.237 1.00 0.00 H new ATOM 0 HA ALA A 28 2.084 -2.648 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.839 -0.187 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.255 -0.997 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.786 -0.147 -1.210 1.00 0.00 H new ATOM 470 N LEU A 29 4.101 -1.520 -1.327 1.00 0.00 N ATOM 471 CA LEU A 29 5.362 -1.182 -0.598 1.00 0.00 C ATOM 472 C LEU A 29 5.764 0.250 -0.924 1.00 0.00 C ATOM 473 O LEU A 29 5.832 0.649 -2.070 1.00 0.00 O ATOM 474 CB LEU A 29 6.470 -2.142 -1.035 1.00 0.00 C ATOM 475 CG LEU A 29 6.015 -3.587 -0.799 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.099 -4.552 -1.285 1.00 0.00 C ATOM 477 CD2 LEU A 29 5.761 -3.810 0.703 1.00 0.00 C ATOM 0 H LEU A 29 4.202 -1.589 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 29 5.204 -1.277 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.703 -1.990 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.383 -1.940 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 29 5.094 -3.770 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.774 -5.579 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.274 -4.397 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.022 -4.369 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.438 -4.838 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.680 -3.625 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.985 -3.126 1.046 1.00 0.00 H new ATOM 489 N ILE A 30 6.027 1.025 0.092 1.00 0.00 N ATOM 490 CA ILE A 30 6.426 2.452 -0.107 1.00 0.00 C ATOM 491 C ILE A 30 7.901 2.627 0.228 1.00 0.00 C ATOM 492 O ILE A 30 8.374 2.210 1.267 1.00 0.00 O ATOM 493 CB ILE A 30 5.584 3.344 0.807 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.112 3.232 0.404 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.045 4.795 0.658 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.237 3.912 1.459 1.00 0.00 C ATOM 0 H ILE A 30 5.982 0.728 1.067 1.00 0.00 H new ATOM 0 HA ILE A 30 6.260 2.733 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 30 5.703 3.028 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.955 3.698 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.831 2.184 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.448 5.435 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.096 4.874 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.920 5.112 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.189 3.831 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.386 3.426 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.512 4.964 1.536 1.00 0.00 H new ATOM 508 N ARG A 31 8.627 3.250 -0.659 1.00 0.00 N ATOM 509 CA ARG A 31 10.089 3.482 -0.439 1.00 0.00 C ATOM 510 C ARG A 31 10.423 4.947 -0.704 1.00 0.00 C ATOM 511 O ARG A 31 10.061 5.514 -1.715 1.00 0.00 O ATOM 512 CB ARG A 31 10.897 2.595 -1.385 1.00 0.00 C ATOM 513 CG ARG A 31 10.743 1.130 -0.973 1.00 0.00 C ATOM 514 CD ARG A 31 11.538 0.246 -1.941 1.00 0.00 C ATOM 515 NE ARG A 31 11.369 -1.188 -1.558 1.00 0.00 N ATOM 516 CZ ARG A 31 12.141 -2.111 -2.075 1.00 0.00 C ATOM 517 NH1 ARG A 31 13.079 -1.794 -2.933 1.00 0.00 N ATOM 518 NH2 ARG A 31 11.972 -3.356 -1.732 1.00 0.00 N ATOM 0 H ARG A 31 8.267 3.615 -1.541 1.00 0.00 H new ATOM 0 HA ARG A 31 10.341 3.235 0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.554 2.733 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.948 2.882 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.102 0.987 0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.691 0.846 -0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.192 0.404 -2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.593 0.518 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 31 10.646 -1.451 -0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.214 -0.820 -3.205 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.675 -2.521 -3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.242 -3.607 -1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.569 -4.080 -2.130 1.00 0.00 H new ATOM 532 N LYS A 32 11.124 5.552 0.212 1.00 0.00 N ATOM 533 CA LYS A 32 11.515 6.984 0.066 1.00 0.00 C ATOM 534 C LYS A 32 12.793 7.090 -0.760 1.00 0.00 C ATOM 535 O LYS A 32 13.740 6.354 -0.572 1.00 0.00 O ATOM 536 CB LYS A 32 11.738 7.596 1.453 1.00 0.00 C ATOM 537 CG LYS A 32 12.067 9.084 1.303 1.00 0.00 C ATOM 538 CD LYS A 32 12.228 9.724 2.684 1.00 0.00 C ATOM 539 CE LYS A 32 12.541 11.215 2.522 1.00 0.00 C ATOM 540 NZ LYS A 32 12.665 11.847 3.866 1.00 0.00 N ATOM 0 H LYS A 32 11.449 5.108 1.071 1.00 0.00 H new ATOM 0 HA LYS A 32 10.719 7.526 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.846 7.469 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.552 7.081 1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.984 9.206 0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.274 9.587 0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.315 9.594 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.029 9.231 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.467 11.344 1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.751 11.703 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.877 12.859 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.771 11.736 4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.433 11.388 4.396 1.00 0.00 H new ATOM 554 N VAL A 33 12.813 8.016 -1.675 1.00 0.00 N ATOM 555 CA VAL A 33 14.004 8.211 -2.546 1.00 0.00 C ATOM 556 C VAL A 33 15.185 8.709 -1.717 1.00 0.00 C ATOM 557 O VAL A 33 15.066 9.609 -0.913 1.00 0.00 O ATOM 558 CB VAL A 33 13.672 9.235 -3.640 1.00 0.00 C ATOM 559 CG1 VAL A 33 14.934 9.556 -4.447 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.608 8.650 -4.577 1.00 0.00 C ATOM 0 H VAL A 33 12.041 8.657 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 33 14.272 7.259 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 33 13.295 10.148 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.695 10.283 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.694 9.969 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.312 8.644 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.370 9.375 -5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.989 7.738 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.708 8.421 -4.007 1.00 0.00 H new ATOM 570 N GLY A 34 16.327 8.114 -1.920 1.00 0.00 N ATOM 571 CA GLY A 34 17.556 8.515 -1.167 1.00 0.00 C ATOM 572 C GLY A 34 17.851 7.449 -0.112 1.00 0.00 C ATOM 573 O GLY A 34 18.946 7.360 0.405 1.00 0.00 O ATOM 0 H GLY A 34 16.466 7.354 -2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.401 8.617 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.410 9.486 -0.693 1.00 0.00 H new ATOM 577 N VAL A 35 16.878 6.637 0.198 1.00 0.00 N ATOM 578 CA VAL A 35 17.074 5.558 1.210 1.00 0.00 C ATOM 579 C VAL A 35 16.077 4.424 0.938 1.00 0.00 C ATOM 580 O VAL A 35 15.302 4.048 1.795 1.00 0.00 O ATOM 581 CB VAL A 35 16.845 6.128 2.618 1.00 0.00 C ATOM 582 CG1 VAL A 35 17.977 7.100 2.963 1.00 0.00 C ATOM 583 CG2 VAL A 35 15.505 6.874 2.676 1.00 0.00 C ATOM 0 H VAL A 35 15.944 6.675 -0.211 1.00 0.00 H new ATOM 0 HA VAL A 35 18.090 5.170 1.143 1.00 0.00 H new ATOM 0 HB VAL A 35 16.828 5.306 3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.816 7.506 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.931 6.573 2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.991 7.914 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.354 7.273 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.513 7.693 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.695 6.186 2.434 1.00 0.00 H new ATOM 593 N PRO A 36 16.106 3.877 -0.253 1.00 0.00 N ATOM 594 CA PRO A 36 15.196 2.758 -0.648 1.00 0.00 C ATOM 595 C PRO A 36 15.574 1.463 0.072 1.00 0.00 C ATOM 596 O PRO A 36 14.843 0.494 0.063 1.00 0.00 O ATOM 597 CB PRO A 36 15.414 2.627 -2.168 1.00 0.00 C ATOM 598 CG PRO A 36 16.781 3.186 -2.418 1.00 0.00 C ATOM 599 CD PRO A 36 17.012 4.263 -1.351 1.00 0.00 C ATOM 0 HA PRO A 36 14.155 2.950 -0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.350 1.587 -2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.655 3.178 -2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 36 17.538 2.405 -2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.849 3.611 -3.419 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.051 4.283 -1.023 1.00 0.00 H new ATOM 0 HD3 PRO A 36 16.778 5.258 -1.731 1.00 0.00 H new ATOM 607 N ASP A 37 16.721 1.450 0.687 1.00 0.00 N ATOM 608 CA ASP A 37 17.189 0.233 1.409 1.00 0.00 C ATOM 609 C ASP A 37 16.367 0.037 2.689 1.00 0.00 C ATOM 610 O ASP A 37 15.155 -0.043 2.653 1.00 0.00 O ATOM 611 CB ASP A 37 18.677 0.408 1.760 1.00 0.00 C ATOM 612 CG ASP A 37 19.222 -0.878 2.390 1.00 0.00 C ATOM 613 OD1 ASP A 37 18.426 -1.744 2.713 1.00 0.00 O ATOM 614 OD2 ASP A 37 20.431 -0.976 2.532 1.00 0.00 O ATOM 0 H ASP A 37 17.364 2.241 0.722 1.00 0.00 H new ATOM 0 HA ASP A 37 17.061 -0.645 0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 37 19.245 0.652 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.800 1.242 2.451 1.00 0.00 H new ATOM 619 N ARG A 38 17.023 -0.055 3.812 1.00 0.00 N ATOM 620 CA ARG A 38 16.310 -0.263 5.111 1.00 0.00 C ATOM 621 C ARG A 38 15.230 -1.323 4.964 1.00 0.00 C ATOM 622 O ARG A 38 15.134 -2.000 3.961 1.00 0.00 O ATOM 623 CB ARG A 38 15.662 1.044 5.587 1.00 0.00 C ATOM 624 CG ARG A 38 16.741 2.026 6.079 1.00 0.00 C ATOM 625 CD ARG A 38 17.085 1.747 7.555 1.00 0.00 C ATOM 626 NE ARG A 38 15.878 1.991 8.403 1.00 0.00 N ATOM 627 CZ ARG A 38 15.876 1.650 9.669 1.00 0.00 C ATOM 628 NH1 ARG A 38 16.928 1.088 10.208 1.00 0.00 N ATOM 629 NH2 ARG A 38 14.817 1.866 10.396 1.00 0.00 N ATOM 0 H ARG A 38 18.038 0.006 3.889 1.00 0.00 H new ATOM 0 HA ARG A 38 17.046 -0.592 5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 38 15.095 1.494 4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 38 14.956 0.836 6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.637 1.930 5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 38 16.387 3.051 5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.423 0.717 7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.904 2.390 7.876 1.00 0.00 H new ATOM 0 HE ARG A 38 15.051 2.426 7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.758 0.912 9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.918 0.826 11.194 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.993 2.299 9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.812 1.602 11.381 1.00 0.00 H new ATOM 643 N THR A 39 14.416 -1.469 5.977 1.00 0.00 N ATOM 644 CA THR A 39 13.331 -2.481 5.943 1.00 0.00 C ATOM 645 C THR A 39 12.056 -1.819 5.398 1.00 0.00 C ATOM 646 O THR A 39 11.664 -0.762 5.859 1.00 0.00 O ATOM 647 CB THR A 39 13.070 -3.008 7.354 1.00 0.00 C ATOM 648 OG1 THR A 39 14.295 -3.454 7.914 1.00 0.00 O ATOM 649 CG2 THR A 39 12.082 -4.176 7.291 1.00 0.00 C ATOM 0 H THR A 39 14.462 -0.920 6.836 1.00 0.00 H new ATOM 0 HA THR A 39 13.623 -3.313 5.302 1.00 0.00 H new ATOM 0 HB THR A 39 12.649 -2.214 7.971 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.137 -3.792 8.820 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.897 -4.551 8.298 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.144 -3.836 6.852 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.501 -4.974 6.678 1.00 0.00 H new ATOM 657 N PRO A 40 11.411 -2.418 4.423 1.00 0.00 N ATOM 658 CA PRO A 40 10.172 -1.853 3.822 1.00 0.00 C ATOM 659 C PRO A 40 8.959 -2.020 4.723 1.00 0.00 C ATOM 660 O PRO A 40 8.837 -2.991 5.448 1.00 0.00 O ATOM 661 CB PRO A 40 10.018 -2.648 2.522 1.00 0.00 C ATOM 662 CG PRO A 40 10.643 -3.973 2.813 1.00 0.00 C ATOM 663 CD PRO A 40 11.779 -3.698 3.791 1.00 0.00 C ATOM 0 HA PRO A 40 10.243 -0.777 3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.969 -2.757 2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.516 -2.149 1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.916 -4.661 3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.018 -4.436 1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.870 -4.495 4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.738 -3.627 3.278 1.00 0.00 H new ATOM 671 N ILE A 41 8.055 -1.078 4.667 1.00 0.00 N ATOM 672 CA ILE A 41 6.826 -1.144 5.502 1.00 0.00 C ATOM 673 C ILE A 41 5.605 -1.304 4.580 1.00 0.00 C ATOM 674 O ILE A 41 5.411 -0.524 3.665 1.00 0.00 O ATOM 675 CB ILE A 41 6.676 0.143 6.310 1.00 0.00 C ATOM 676 CG1 ILE A 41 7.994 0.451 7.038 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.550 -0.031 7.335 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.428 -0.743 7.901 1.00 0.00 C ATOM 0 H ILE A 41 8.120 -0.255 4.068 1.00 0.00 H new ATOM 0 HA ILE A 41 6.897 -1.991 6.185 1.00 0.00 H new ATOM 0 HB ILE A 41 6.435 0.968 5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.772 0.682 6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.871 1.334 7.665 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.440 0.886 7.914 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.616 -0.247 6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.792 -0.856 8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.363 -0.505 8.408 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.657 -0.956 8.642 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.572 -1.617 7.266 1.00 0.00 H new ATOM 690 N PRO A 42 4.782 -2.304 4.810 1.00 0.00 N ATOM 691 CA PRO A 42 3.571 -2.548 3.980 1.00 0.00 C ATOM 692 C PRO A 42 2.453 -1.561 4.284 1.00 0.00 C ATOM 693 O PRO A 42 2.270 -1.140 5.407 1.00 0.00 O ATOM 694 CB PRO A 42 3.168 -3.979 4.350 1.00 0.00 C ATOM 695 CG PRO A 42 3.660 -4.169 5.749 1.00 0.00 C ATOM 696 CD PRO A 42 4.909 -3.307 5.883 1.00 0.00 C ATOM 0 HA PRO A 42 3.767 -2.418 2.916 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.088 -4.113 4.290 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.618 -4.704 3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.901 -3.870 6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.888 -5.217 5.942 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.962 -2.834 6.864 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.816 -3.901 5.766 1.00 0.00 H new ATOM 704 N THR A 43 1.704 -1.201 3.282 1.00 0.00 N ATOM 705 CA THR A 43 0.577 -0.241 3.471 1.00 0.00 C ATOM 706 C THR A 43 -0.723 -0.882 3.004 1.00 0.00 C ATOM 707 O THR A 43 -0.815 -1.438 1.920 1.00 0.00 O ATOM 708 CB THR A 43 0.853 1.036 2.671 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.355 1.767 2.523 1.00 0.00 O ATOM 710 CG2 THR A 43 1.419 0.692 1.287 1.00 0.00 C ATOM 0 H THR A 43 1.824 -1.534 2.326 1.00 0.00 H new ATOM 0 HA THR A 43 0.487 0.014 4.527 1.00 0.00 H new ATOM 0 HB THR A 43 1.587 1.638 3.207 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.479 2.007 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.609 1.611 0.733 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.351 0.139 1.402 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.700 0.081 0.741 1.00 0.00 H new ATOM 718 N THR A 44 -1.725 -0.804 3.835 1.00 0.00 N ATOM 719 CA THR A 44 -3.053 -1.390 3.502 1.00 0.00 C ATOM 720 C THR A 44 -4.156 -0.466 3.996 1.00 0.00 C ATOM 721 O THR A 44 -3.925 0.458 4.754 1.00 0.00 O ATOM 722 CB THR A 44 -3.203 -2.761 4.162 1.00 0.00 C ATOM 723 OG1 THR A 44 -3.338 -2.607 5.569 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.971 -3.613 3.859 1.00 0.00 C ATOM 0 H THR A 44 -1.678 -0.350 4.747 1.00 0.00 H new ATOM 0 HA THR A 44 -3.129 -1.505 2.421 1.00 0.00 H new ATOM 0 HB THR A 44 -4.092 -3.253 3.767 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.436 -3.488 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.079 -4.590 4.330 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.872 -3.739 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.082 -3.119 4.250 1.00 0.00 H new ATOM 732 N TYR A 45 -5.358 -0.718 3.556 1.00 0.00 N ATOM 733 CA TYR A 45 -6.520 0.119 3.960 1.00 0.00 C ATOM 734 C TYR A 45 -7.598 -0.784 4.589 1.00 0.00 C ATOM 735 O TYR A 45 -8.013 -1.760 3.991 1.00 0.00 O ATOM 736 CB TYR A 45 -7.100 0.804 2.727 1.00 0.00 C ATOM 737 CG TYR A 45 -8.111 1.846 3.156 1.00 0.00 C ATOM 738 CD1 TYR A 45 -7.678 3.069 3.687 1.00 0.00 C ATOM 739 CD2 TYR A 45 -9.482 1.591 3.019 1.00 0.00 C ATOM 740 CE1 TYR A 45 -8.615 4.033 4.081 1.00 0.00 C ATOM 741 CE2 TYR A 45 -10.417 2.555 3.412 1.00 0.00 C ATOM 742 CZ TYR A 45 -9.985 3.777 3.942 1.00 0.00 C ATOM 743 OH TYR A 45 -10.907 4.727 4.328 1.00 0.00 O ATOM 0 H TYR A 45 -5.587 -1.483 2.922 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.199 0.870 4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.303 1.272 2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.574 0.068 2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.622 3.268 3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.817 0.650 2.610 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.281 4.974 4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.473 2.356 3.306 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.812 4.390 4.163 1.00 0.00 H new ATOM 753 N PRO A 46 -8.056 -0.464 5.782 1.00 0.00 N ATOM 754 CA PRO A 46 -9.107 -1.261 6.475 1.00 0.00 C ATOM 755 C PRO A 46 -10.280 -1.608 5.547 1.00 0.00 C ATOM 756 O PRO A 46 -11.298 -0.950 5.535 1.00 0.00 O ATOM 757 CB PRO A 46 -9.563 -0.345 7.626 1.00 0.00 C ATOM 758 CG PRO A 46 -8.405 0.565 7.898 1.00 0.00 C ATOM 759 CD PRO A 46 -7.614 0.678 6.599 1.00 0.00 C ATOM 0 HA PRO A 46 -8.729 -2.224 6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.451 0.223 7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.821 -0.926 8.511 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.753 1.545 8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.780 0.166 8.697 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.815 1.624 6.096 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.541 0.638 6.786 1.00 0.00 H new ATOM 767 N GLU A 47 -10.140 -2.649 4.778 1.00 0.00 N ATOM 768 CA GLU A 47 -11.243 -3.059 3.862 1.00 0.00 C ATOM 769 C GLU A 47 -10.916 -4.421 3.253 1.00 0.00 C ATOM 770 O GLU A 47 -9.771 -4.756 3.032 1.00 0.00 O ATOM 771 CB GLU A 47 -11.415 -2.019 2.755 1.00 0.00 C ATOM 772 CG GLU A 47 -12.686 -2.326 1.956 1.00 0.00 C ATOM 773 CD GLU A 47 -13.922 -2.058 2.821 1.00 0.00 C ATOM 774 OE1 GLU A 47 -13.760 -1.533 3.911 1.00 0.00 O ATOM 775 OE2 GLU A 47 -15.010 -2.383 2.377 1.00 0.00 O ATOM 0 H GLU A 47 -9.307 -3.237 4.743 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.174 -3.129 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.477 -1.020 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.547 -2.028 2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.719 -1.710 1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.678 -3.366 1.629 1.00 0.00 H new ATOM 782 N PHE A 48 -11.925 -5.209 2.990 1.00 0.00 N ATOM 783 CA PHE A 48 -11.709 -6.571 2.404 1.00 0.00 C ATOM 784 C PHE A 48 -12.199 -6.593 0.965 1.00 0.00 C ATOM 785 O PHE A 48 -13.320 -6.233 0.669 1.00 0.00 O ATOM 786 CB PHE A 48 -12.477 -7.607 3.222 1.00 0.00 C ATOM 787 CG PHE A 48 -12.006 -7.556 4.659 1.00 0.00 C ATOM 788 CD1 PHE A 48 -10.711 -7.977 4.987 1.00 0.00 C ATOM 789 CD2 PHE A 48 -12.860 -7.079 5.660 1.00 0.00 C ATOM 790 CE1 PHE A 48 -10.274 -7.923 6.317 1.00 0.00 C ATOM 791 CE2 PHE A 48 -12.423 -7.024 6.987 1.00 0.00 C ATOM 792 CZ PHE A 48 -11.130 -7.446 7.316 1.00 0.00 C ATOM 0 H PHE A 48 -12.902 -4.967 3.157 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.645 -6.808 2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.547 -7.408 3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.318 -8.604 2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.050 -8.343 4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.858 -6.753 5.407 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.276 -8.250 6.571 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.083 -6.656 7.758 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.793 -7.404 8.341 1.00 0.00 H new ATOM 802 N TYR A 49 -11.352 -7.027 0.071 1.00 0.00 N ATOM 803 CA TYR A 49 -11.725 -7.101 -1.377 1.00 0.00 C ATOM 804 C TYR A 49 -11.547 -8.527 -1.883 1.00 0.00 C ATOM 805 O TYR A 49 -10.546 -9.171 -1.650 1.00 0.00 O ATOM 806 CB TYR A 49 -10.841 -6.136 -2.177 1.00 0.00 C ATOM 807 CG TYR A 49 -11.372 -4.731 -2.008 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.481 -4.317 -2.752 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.768 -3.853 -1.104 1.00 0.00 C ATOM 810 CE1 TYR A 49 -12.987 -3.023 -2.592 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.273 -2.560 -0.941 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.382 -2.144 -1.685 1.00 0.00 C ATOM 813 OH TYR A 49 -12.883 -0.868 -1.523 1.00 0.00 O ATOM 0 H TYR A 49 -10.404 -7.338 0.283 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.769 -6.816 -1.503 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.810 -6.193 -1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.838 -6.414 -3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -12.947 -4.996 -3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.911 -4.174 -0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -13.843 -2.702 -3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.807 -1.882 -0.241 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.349 -0.389 -0.856 1.00 0.00 H new ATOM 823 N ASP A 50 -12.530 -9.011 -2.590 1.00 0.00 N ATOM 824 CA ASP A 50 -12.468 -10.390 -3.150 1.00 0.00 C ATOM 825 C ASP A 50 -11.768 -10.327 -4.508 1.00 0.00 C ATOM 826 O ASP A 50 -11.219 -11.302 -4.978 1.00 0.00 O ATOM 827 CB ASP A 50 -13.892 -10.931 -3.354 1.00 0.00 C ATOM 828 CG ASP A 50 -14.560 -11.209 -2.003 1.00 0.00 C ATOM 829 OD1 ASP A 50 -13.862 -11.218 -1.005 1.00 0.00 O ATOM 830 OD2 ASP A 50 -15.766 -11.411 -1.995 1.00 0.00 O ATOM 0 H ASP A 50 -13.387 -8.501 -2.807 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.926 -11.043 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.484 -10.210 -3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.858 -11.846 -3.945 1.00 0.00 H new ATOM 835 N LEU A 51 -11.804 -9.184 -5.144 1.00 0.00 N ATOM 836 CA LEU A 51 -11.165 -9.033 -6.489 1.00 0.00 C ATOM 837 C LEU A 51 -9.846 -8.277 -6.351 1.00 0.00 C ATOM 838 O LEU A 51 -9.757 -7.252 -5.707 1.00 0.00 O ATOM 839 CB LEU A 51 -12.106 -8.254 -7.415 1.00 0.00 C ATOM 840 CG LEU A 51 -13.468 -8.958 -7.481 1.00 0.00 C ATOM 841 CD1 LEU A 51 -14.421 -8.151 -8.369 1.00 0.00 C ATOM 842 CD2 LEU A 51 -13.297 -10.372 -8.064 1.00 0.00 C ATOM 0 H LEU A 51 -12.253 -8.340 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.972 -10.020 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.230 -7.235 -7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.674 -8.184 -8.413 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.882 -9.031 -6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.388 -8.652 -8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.549 -7.152 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.005 -8.073 -9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.267 -10.867 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.878 -10.303 -9.068 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.624 -10.948 -7.429 1.00 0.00 H new ATOM 854 N GLU A 52 -8.823 -8.793 -6.964 1.00 0.00 N ATOM 855 CA GLU A 52 -7.485 -8.147 -6.906 1.00 0.00 C ATOM 856 C GLU A 52 -7.527 -6.832 -7.688 1.00 0.00 C ATOM 857 O GLU A 52 -6.879 -5.868 -7.335 1.00 0.00 O ATOM 858 CB GLU A 52 -6.436 -9.082 -7.535 1.00 0.00 C ATOM 859 CG GLU A 52 -6.967 -9.676 -8.853 1.00 0.00 C ATOM 860 CD GLU A 52 -7.859 -10.890 -8.565 1.00 0.00 C ATOM 861 OE1 GLU A 52 -7.514 -11.658 -7.682 1.00 0.00 O ATOM 862 OE2 GLU A 52 -8.873 -11.023 -9.228 1.00 0.00 O ATOM 0 H GLU A 52 -8.857 -9.652 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.219 -7.949 -5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.514 -8.531 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.192 -9.885 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.533 -8.921 -9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.133 -9.971 -9.490 1.00 0.00 H new ATOM 869 N ALA A 53 -8.281 -6.798 -8.752 1.00 0.00 N ATOM 870 CA ALA A 53 -8.371 -5.565 -9.586 1.00 0.00 C ATOM 871 C ALA A 53 -8.767 -4.385 -8.702 1.00 0.00 C ATOM 872 O ALA A 53 -8.165 -3.332 -8.753 1.00 0.00 O ATOM 873 CB ALA A 53 -9.440 -5.767 -10.668 1.00 0.00 C ATOM 0 H ALA A 53 -8.845 -7.581 -9.083 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.406 -5.365 -10.052 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.511 -4.869 -11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.166 -6.615 -11.296 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.403 -5.961 -10.196 1.00 0.00 H new ATOM 879 N ASP A 54 -9.770 -4.559 -7.888 1.00 0.00 N ATOM 880 CA ASP A 54 -10.213 -3.457 -6.983 1.00 0.00 C ATOM 881 C ASP A 54 -9.105 -3.153 -5.974 1.00 0.00 C ATOM 882 O ASP A 54 -8.879 -2.017 -5.612 1.00 0.00 O ATOM 883 CB ASP A 54 -11.488 -3.898 -6.227 1.00 0.00 C ATOM 884 CG ASP A 54 -12.736 -3.628 -7.078 1.00 0.00 C ATOM 885 OD1 ASP A 54 -12.601 -3.040 -8.139 1.00 0.00 O ATOM 886 OD2 ASP A 54 -13.810 -4.014 -6.650 1.00 0.00 O ATOM 0 H ASP A 54 -10.307 -5.423 -7.809 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.426 -2.564 -7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.427 -4.959 -5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.562 -3.361 -5.281 1.00 0.00 H new ATOM 891 N ALA A 55 -8.427 -4.166 -5.515 1.00 0.00 N ATOM 892 CA ALA A 55 -7.337 -3.966 -4.518 1.00 0.00 C ATOM 893 C ALA A 55 -6.185 -3.196 -5.166 1.00 0.00 C ATOM 894 O ALA A 55 -5.540 -2.384 -4.535 1.00 0.00 O ATOM 895 CB ALA A 55 -6.829 -5.332 -4.039 1.00 0.00 C ATOM 0 H ALA A 55 -8.582 -5.136 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.721 -3.399 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.032 -5.188 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.648 -5.883 -3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.446 -5.896 -4.889 1.00 0.00 H new ATOM 901 N GLU A 56 -5.923 -3.457 -6.416 1.00 0.00 N ATOM 902 CA GLU A 56 -4.809 -2.753 -7.119 1.00 0.00 C ATOM 903 C GLU A 56 -5.100 -1.255 -7.169 1.00 0.00 C ATOM 904 O GLU A 56 -4.278 -0.440 -6.798 1.00 0.00 O ATOM 905 CB GLU A 56 -4.703 -3.285 -8.556 1.00 0.00 C ATOM 906 CG GLU A 56 -4.121 -4.699 -8.545 1.00 0.00 C ATOM 907 CD GLU A 56 -2.647 -4.644 -8.146 1.00 0.00 C ATOM 908 OE1 GLU A 56 -2.111 -3.551 -8.067 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.077 -5.701 -7.939 1.00 0.00 O ATOM 0 H GLU A 56 -6.434 -4.131 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.876 -2.929 -6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.687 -3.291 -9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.071 -2.626 -9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.674 -5.325 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.225 -5.153 -9.530 1.00 0.00 H new ATOM 916 N ARG A 57 -6.266 -0.893 -7.627 1.00 0.00 N ATOM 917 CA ARG A 57 -6.629 0.550 -7.714 1.00 0.00 C ATOM 918 C ARG A 57 -6.667 1.152 -6.312 1.00 0.00 C ATOM 919 O ARG A 57 -6.180 2.240 -6.077 1.00 0.00 O ATOM 920 CB ARG A 57 -8.012 0.686 -8.362 1.00 0.00 C ATOM 921 CG ARG A 57 -8.352 2.168 -8.525 1.00 0.00 C ATOM 922 CD ARG A 57 -9.707 2.307 -9.222 1.00 0.00 C ATOM 923 NE ARG A 57 -9.982 3.752 -9.485 1.00 0.00 N ATOM 924 CZ ARG A 57 -9.561 4.324 -10.586 1.00 0.00 C ATOM 925 NH1 ARG A 57 -8.885 3.644 -11.476 1.00 0.00 N ATOM 926 NH2 ARG A 57 -9.820 5.584 -10.796 1.00 0.00 N ATOM 0 H ARG A 57 -6.988 -1.539 -7.947 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.888 1.076 -8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.021 0.190 -9.333 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.765 0.194 -7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.381 2.655 -7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.578 2.668 -9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.706 1.749 -10.158 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.494 1.883 -8.599 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.503 4.299 -8.800 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.680 2.658 -11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.563 4.100 -12.329 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.347 6.118 -10.105 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.495 6.036 -11.651 1.00 0.00 H new ATOM 940 N VAL A 58 -7.244 0.447 -5.383 1.00 0.00 N ATOM 941 CA VAL A 58 -7.330 0.948 -3.983 1.00 0.00 C ATOM 942 C VAL A 58 -5.920 1.053 -3.401 1.00 0.00 C ATOM 943 O VAL A 58 -5.608 1.973 -2.678 1.00 0.00 O ATOM 944 CB VAL A 58 -8.168 -0.023 -3.142 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.093 0.378 -1.665 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.628 0.023 -3.605 1.00 0.00 C ATOM 0 H VAL A 58 -7.666 -0.469 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.803 1.930 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.778 -1.033 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.689 -0.313 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.056 0.344 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.480 1.389 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.222 -0.668 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.016 1.034 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.686 -0.265 -4.655 1.00 0.00 H new ATOM 956 N SER A 59 -5.079 0.103 -3.698 1.00 0.00 N ATOM 957 CA SER A 59 -3.688 0.121 -3.155 1.00 0.00 C ATOM 958 C SER A 59 -3.010 1.435 -3.533 1.00 0.00 C ATOM 959 O SER A 59 -2.343 2.051 -2.725 1.00 0.00 O ATOM 960 CB SER A 59 -2.898 -1.051 -3.762 1.00 0.00 C ATOM 961 OG SER A 59 -3.472 -2.284 -3.347 1.00 0.00 O ATOM 0 H SER A 59 -5.295 -0.693 -4.298 1.00 0.00 H new ATOM 0 HA SER A 59 -3.716 0.027 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.907 -0.983 -4.850 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.855 -1.000 -3.448 1.00 0.00 H new ATOM 0 HG SER A 59 -4.126 -2.581 -4.014 1.00 0.00 H new ATOM 967 N ILE A 60 -3.180 1.868 -4.749 1.00 0.00 N ATOM 968 CA ILE A 60 -2.551 3.147 -5.190 1.00 0.00 C ATOM 969 C ILE A 60 -3.142 4.313 -4.390 1.00 0.00 C ATOM 970 O ILE A 60 -2.428 5.168 -3.895 1.00 0.00 O ATOM 971 CB ILE A 60 -2.855 3.355 -6.681 1.00 0.00 C ATOM 972 CG1 ILE A 60 -2.119 2.293 -7.503 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.391 4.749 -7.111 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.616 2.320 -8.951 1.00 0.00 C ATOM 0 H ILE A 60 -3.730 1.390 -5.462 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.474 3.105 -5.026 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.928 3.266 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.045 2.478 -7.474 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.285 1.306 -7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.608 4.894 -8.169 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.916 5.504 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.318 4.843 -6.944 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.089 1.562 -9.531 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.686 2.114 -8.972 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.427 3.303 -9.382 1.00 0.00 H new ATOM 986 N ALA A 61 -4.438 4.343 -4.252 1.00 0.00 N ATOM 987 CA ALA A 61 -5.094 5.442 -3.484 1.00 0.00 C ATOM 988 C ALA A 61 -4.727 5.314 -2.006 1.00 0.00 C ATOM 989 O ALA A 61 -4.543 6.294 -1.312 1.00 0.00 O ATOM 990 CB ALA A 61 -6.617 5.334 -3.643 1.00 0.00 C ATOM 0 H ALA A 61 -5.077 3.649 -4.640 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.755 6.407 -3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.099 6.135 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.880 5.419 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.955 4.371 -3.261 1.00 0.00 H new ATOM 996 N CYS A 62 -4.631 4.107 -1.524 1.00 0.00 N ATOM 997 CA CYS A 62 -4.289 3.888 -0.090 1.00 0.00 C ATOM 998 C CYS A 62 -2.866 4.374 0.181 1.00 0.00 C ATOM 999 O CYS A 62 -2.623 5.109 1.115 1.00 0.00 O ATOM 1000 CB CYS A 62 -4.377 2.391 0.232 1.00 0.00 C ATOM 1001 SG CYS A 62 -3.753 2.097 1.906 1.00 0.00 S ATOM 0 H CYS A 62 -4.776 3.255 -2.066 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.989 4.443 0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.409 2.051 0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.796 1.818 -0.490 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.468 1.904 1.862 1.00 0.00 H new ATOM 1007 N ALA A 63 -1.930 3.966 -0.634 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.508 4.380 -0.435 1.00 0.00 C ATOM 1009 C ALA A 63 -0.424 5.903 -0.343 1.00 0.00 C ATOM 1010 O ALA A 63 0.317 6.445 0.452 1.00 0.00 O ATOM 1011 CB ALA A 63 0.326 3.903 -1.633 1.00 0.00 C ATOM 0 H ALA A 63 -2.090 3.358 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.126 3.939 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.365 4.202 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.267 2.817 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.062 4.351 -2.548 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.183 6.589 -1.149 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.168 8.082 -1.122 1.00 0.00 C ATOM 1019 C LYS A 64 -1.678 8.579 0.235 1.00 0.00 C ATOM 1020 O LYS A 64 -1.172 9.537 0.784 1.00 0.00 O ATOM 1021 CB LYS A 64 -2.083 8.614 -2.232 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.461 8.316 -3.600 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.381 8.836 -4.708 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.762 8.542 -6.078 1.00 0.00 C ATOM 1025 NZ LYS A 64 -2.663 9.056 -7.150 1.00 0.00 N ATOM 0 H LYS A 64 -1.819 6.178 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.150 8.438 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.066 8.150 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.228 9.688 -2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.481 8.788 -3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.308 7.243 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.360 8.363 -4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.535 9.909 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.782 9.013 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.611 7.469 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.244 8.857 -8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.589 8.587 -7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.785 10.083 -7.038 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.689 7.939 0.764 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.258 8.366 2.080 1.00 0.00 C ATOM 1041 C ILE A 65 -2.216 8.173 3.184 1.00 0.00 C ATOM 1042 O ILE A 65 -2.041 9.015 4.041 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.495 7.513 2.406 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.621 7.840 1.418 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -4.963 7.817 3.834 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -6.780 6.853 1.601 1.00 0.00 C ATOM 0 H ILE A 65 -3.148 7.134 0.339 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.537 9.418 2.021 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.238 6.457 2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.972 8.860 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.246 7.788 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.840 7.213 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.164 7.581 4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.218 8.873 3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.576 7.092 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.426 5.838 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.163 6.926 2.619 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.541 7.061 3.175 1.00 0.00 N ATOM 1059 CA ILE A 66 -0.514 6.786 4.221 1.00 0.00 C ATOM 1060 C ILE A 66 0.622 7.800 4.098 1.00 0.00 C ATOM 1061 O ILE A 66 1.110 8.317 5.084 1.00 0.00 O ATOM 1062 CB ILE A 66 0.031 5.349 4.031 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -0.956 4.321 4.623 1.00 0.00 C ATOM 1064 CG2 ILE A 66 1.396 5.200 4.720 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.117 4.088 3.658 1.00 0.00 C ATOM 0 H ILE A 66 -1.656 6.322 2.482 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.960 6.873 5.212 1.00 0.00 H new ATOM 0 HB ILE A 66 0.146 5.165 2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.440 3.380 4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.335 4.679 5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.766 4.185 4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.102 5.908 4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.289 5.401 5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.806 3.361 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.642 5.028 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.733 3.709 2.711 1.00 0.00 H new ATOM 1077 N ILE A 67 1.050 8.065 2.899 1.00 0.00 N ATOM 1078 CA ILE A 67 2.165 9.031 2.685 1.00 0.00 C ATOM 1079 C ILE A 67 1.729 10.423 3.152 1.00 0.00 C ATOM 1080 O ILE A 67 2.462 11.120 3.825 1.00 0.00 O ATOM 1081 CB ILE A 67 2.500 9.078 1.184 1.00 0.00 C ATOM 1082 CG1 ILE A 67 3.128 7.746 0.752 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.485 10.216 0.909 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.164 7.658 -0.778 1.00 0.00 C ATOM 0 H ILE A 67 0.672 7.650 2.047 1.00 0.00 H new ATOM 0 HA ILE A 67 3.042 8.718 3.252 1.00 0.00 H new ATOM 0 HB ILE A 67 1.583 9.248 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.138 7.663 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.554 6.914 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.719 10.245 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.038 11.164 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.400 10.050 1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.611 6.710 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.149 7.720 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.758 8.481 -1.176 1.00 0.00 H new ATOM 1096 N ASP A 68 0.538 10.821 2.798 1.00 0.00 N ATOM 1097 CA ASP A 68 0.022 12.161 3.209 1.00 0.00 C ATOM 1098 C ASP A 68 -0.251 12.171 4.715 1.00 0.00 C ATOM 1099 O ASP A 68 0.082 13.108 5.413 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.287 12.449 2.459 1.00 0.00 C ATOM 1101 CG ASP A 68 -0.987 12.774 0.995 1.00 0.00 C ATOM 1102 OD1 ASP A 68 0.160 13.058 0.695 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -1.913 12.741 0.199 1.00 0.00 O ATOM 0 H ASP A 68 -0.109 10.269 2.235 1.00 0.00 H new ATOM 0 HA ASP A 68 0.764 12.923 2.970 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.949 11.585 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.808 13.284 2.927 1.00 0.00 H new ATOM 1108 N SER A 69 -0.873 11.136 5.209 1.00 0.00 N ATOM 1109 CA SER A 69 -1.198 11.060 6.664 1.00 0.00 C ATOM 1110 C SER A 69 0.093 10.979 7.479 1.00 0.00 C ATOM 1111 O SER A 69 0.227 11.607 8.511 1.00 0.00 O ATOM 1112 CB SER A 69 -2.042 9.808 6.925 1.00 0.00 C ATOM 1113 OG SER A 69 -2.126 9.579 8.326 1.00 0.00 O ATOM 0 H SER A 69 -1.174 10.330 4.661 1.00 0.00 H new ATOM 0 HA SER A 69 -1.754 11.950 6.959 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.040 9.935 6.506 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.596 8.945 6.430 1.00 0.00 H new ATOM 0 HG SER A 69 -2.667 8.779 8.495 1.00 0.00 H new ATOM 1119 N HIS A 70 1.037 10.202 7.023 1.00 0.00 N ATOM 1120 CA HIS A 70 2.324 10.056 7.761 1.00 0.00 C ATOM 1121 C HIS A 70 2.995 11.424 7.891 1.00 0.00 C ATOM 1122 O HIS A 70 3.485 11.786 8.942 1.00 0.00 O ATOM 1123 CB HIS A 70 3.250 9.111 6.979 1.00 0.00 C ATOM 1124 CG HIS A 70 4.552 8.955 7.717 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.666 8.180 8.861 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.805 9.471 7.489 1.00 0.00 C ATOM 1127 CE1 HIS A 70 5.945 8.254 9.276 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.681 9.028 8.474 1.00 0.00 N ATOM 0 H HIS A 70 0.971 9.657 6.163 1.00 0.00 H new ATOM 0 HA HIS A 70 2.132 9.648 8.753 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.773 8.139 6.854 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.432 9.508 5.980 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.069 10.122 6.669 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.329 7.749 10.150 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.673 9.247 8.565 1.00 0.00 H new ATOM 1136 N LEU A 71 3.021 12.179 6.828 1.00 0.00 N ATOM 1137 CA LEU A 71 3.663 13.526 6.867 1.00 0.00 C ATOM 1138 C LEU A 71 2.906 14.438 7.828 1.00 0.00 C ATOM 1139 O LEU A 71 3.499 15.161 8.602 1.00 0.00 O ATOM 1140 CB LEU A 71 3.631 14.138 5.457 1.00 0.00 C ATOM 1141 CG LEU A 71 4.574 13.351 4.535 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.329 13.762 3.078 1.00 0.00 C ATOM 1143 CD2 LEU A 71 6.042 13.636 4.910 1.00 0.00 C ATOM 0 H LEU A 71 2.622 11.920 5.926 1.00 0.00 H new ATOM 0 HA LEU A 71 4.693 13.424 7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.615 14.114 5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.933 15.184 5.496 1.00 0.00 H new ATOM 0 HG LEU A 71 4.377 12.285 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.999 13.203 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.295 13.546 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.519 14.829 2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.702 13.073 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.245 14.702 4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.219 13.335 5.943 1.00 0.00 H new ATOM 1155 N ASP A 72 1.605 14.409 7.785 1.00 0.00 N ATOM 1156 CA ASP A 72 0.799 15.273 8.696 1.00 0.00 C ATOM 1157 C ASP A 72 0.577 14.535 10.018 1.00 0.00 C ATOM 1158 O ASP A 72 1.131 14.887 11.041 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.565 15.556 8.050 1.00 0.00 C ATOM 1160 CG ASP A 72 -0.402 16.550 6.896 1.00 0.00 C ATOM 1161 OD1 ASP A 72 0.640 17.180 6.824 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -1.326 16.666 6.105 1.00 0.00 O ATOM 0 H ASP A 72 1.060 13.821 7.155 1.00 0.00 H new ATOM 0 HA ASP A 72 1.326 16.210 8.875 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.002 14.628 7.682 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.252 15.959 8.794 1.00 0.00 H new ATOM 1167 N ARG A 73 -0.238 13.515 9.995 1.00 0.00 N ATOM 1168 CA ARG A 73 -0.528 12.731 11.233 1.00 0.00 C ATOM 1169 C ARG A 73 0.624 11.769 11.526 1.00 0.00 C ATOM 1170 O ARG A 73 1.276 11.264 10.635 1.00 0.00 O ATOM 1171 CB ARG A 73 -1.837 11.945 11.048 1.00 0.00 C ATOM 1172 CG ARG A 73 -3.014 12.923 10.948 1.00 0.00 C ATOM 1173 CD ARG A 73 -4.328 12.153 10.742 1.00 0.00 C ATOM 1174 NE ARG A 73 -4.354 11.550 9.372 1.00 0.00 N ATOM 1175 CZ ARG A 73 -5.378 10.828 8.981 1.00 0.00 C ATOM 1176 NH1 ARG A 73 -6.391 10.614 9.782 1.00 0.00 N ATOM 1177 NH2 ARG A 73 -5.387 10.321 7.780 1.00 0.00 N ATOM 0 H ARG A 73 -0.722 13.186 9.160 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.635 13.415 12.075 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.782 11.333 10.147 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.986 11.265 11.887 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.075 13.524 11.855 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.854 13.612 10.119 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.424 11.371 11.495 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.177 12.824 10.870 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.570 11.701 8.738 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.390 11.010 10.722 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.181 10.051 9.466 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.601 10.486 7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.180 9.759 7.470 1.00 0.00 H new ATOM 1191 N HIS A 74 0.873 11.525 12.785 1.00 0.00 N ATOM 1192 CA HIS A 74 1.980 10.611 13.187 1.00 0.00 C ATOM 1193 C HIS A 74 1.793 9.253 12.508 1.00 0.00 C ATOM 1194 O HIS A 74 2.316 9.011 11.440 1.00 0.00 O ATOM 1195 CB HIS A 74 1.961 10.431 14.713 1.00 0.00 C ATOM 1196 CG HIS A 74 3.130 9.583 15.137 1.00 0.00 C ATOM 1197 ND1 HIS A 74 2.988 8.255 15.512 1.00 0.00 N ATOM 1198 CD2 HIS A 74 4.470 9.860 15.245 1.00 0.00 C ATOM 1199 CE1 HIS A 74 4.211 7.788 15.825 1.00 0.00 C ATOM 1200 NE2 HIS A 74 5.150 8.726 15.680 1.00 0.00 N ATOM 0 H HIS A 74 0.348 11.926 13.562 1.00 0.00 H new ATOM 0 HA HIS A 74 2.936 11.038 12.882 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.007 11.403 15.204 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.027 9.961 15.022 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.927 10.813 15.026 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.409 6.778 16.153 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.151 8.632 15.851 1.00 0.00 H new ATOM 1208 N ASP A 75 1.052 8.372 13.125 1.00 0.00 N ATOM 1209 CA ASP A 75 0.821 7.021 12.532 1.00 0.00 C ATOM 1210 C ASP A 75 2.140 6.468 11.992 1.00 0.00 C ATOM 1211 O ASP A 75 2.347 6.375 10.798 1.00 0.00 O ATOM 1212 CB ASP A 75 -0.213 7.136 11.410 1.00 0.00 C ATOM 1213 CG ASP A 75 -0.637 5.737 10.960 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -0.026 4.782 11.408 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -1.568 5.646 10.176 1.00 0.00 O ATOM 0 H ASP A 75 0.593 8.531 14.022 1.00 0.00 H new ATOM 0 HA ASP A 75 0.444 6.338 13.293 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.081 7.696 11.757 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.207 7.688 10.569 1.00 0.00 H new ATOM 1220 N GLN A 76 3.036 6.115 12.878 1.00 0.00 N ATOM 1221 CA GLN A 76 4.365 5.581 12.454 1.00 0.00 C ATOM 1222 C GLN A 76 4.182 4.583 11.320 1.00 0.00 C ATOM 1223 O GLN A 76 3.932 3.417 11.532 1.00 0.00 O ATOM 1224 CB GLN A 76 5.069 4.906 13.646 1.00 0.00 C ATOM 1225 CG GLN A 76 4.050 4.130 14.493 1.00 0.00 C ATOM 1226 CD GLN A 76 4.768 3.433 15.657 1.00 0.00 C ATOM 1227 OE1 GLN A 76 6.046 3.178 15.573 1.00 0.00 O flip ATOM 1228 NE2 GLN A 76 4.156 3.111 16.657 1.00 0.00 N flip ATOM 0 H GLN A 76 2.902 6.175 13.887 1.00 0.00 H new ATOM 0 HA GLN A 76 4.985 6.407 12.104 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.843 4.229 13.285 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.564 5.659 14.259 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.289 4.810 14.877 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.536 3.393 13.876 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.158 3.307 16.729 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.641 2.645 17.424 1.00 0.00 H new ATOM 1237 N GLY A 77 4.318 5.052 10.113 1.00 0.00 N ATOM 1238 CA GLY A 77 4.168 4.171 8.916 1.00 0.00 C ATOM 1239 C GLY A 77 5.485 4.159 8.141 1.00 0.00 C ATOM 1240 O GLY A 77 6.102 3.131 7.964 1.00 0.00 O ATOM 0 H GLY A 77 4.531 6.026 9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.903 3.160 9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.360 4.533 8.280 1.00 0.00 H new ATOM 1244 N LEU A 78 5.912 5.301 7.676 1.00 0.00 N ATOM 1245 CA LEU A 78 7.187 5.385 6.896 1.00 0.00 C ATOM 1246 C LEU A 78 8.290 5.890 7.825 1.00 0.00 C ATOM 1247 O LEU A 78 9.300 6.408 7.392 1.00 0.00 O ATOM 1248 CB LEU A 78 6.994 6.364 5.727 1.00 0.00 C ATOM 1249 CG LEU A 78 5.716 6.004 4.957 1.00 0.00 C ATOM 1250 CD1 LEU A 78 5.529 6.978 3.790 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.825 4.572 4.416 1.00 0.00 C ATOM 0 H LEU A 78 5.429 6.191 7.803 1.00 0.00 H new ATOM 0 HA LEU A 78 7.461 4.407 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.929 7.385 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.855 6.324 5.060 1.00 0.00 H new ATOM 0 HG LEU A 78 4.860 6.073 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.621 6.721 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.446 7.995 4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.386 6.912 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.916 4.319 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.682 4.500 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.954 3.878 5.247 1.00 0.00 H new ATOM 1263 N ALA A 79 8.087 5.737 9.105 1.00 0.00 N ATOM 1264 CA ALA A 79 9.091 6.197 10.109 1.00 0.00 C ATOM 1265 C ALA A 79 10.408 5.436 9.918 1.00 0.00 C ATOM 1266 O ALA A 79 11.477 6.006 10.003 1.00 0.00 O ATOM 1267 CB ALA A 79 8.550 5.906 11.517 1.00 0.00 C ATOM 0 H ALA A 79 7.254 5.305 9.505 1.00 0.00 H new ATOM 0 HA ALA A 79 9.269 7.265 9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.275 6.237 12.261 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.610 6.439 11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.381 4.835 11.628 1.00 0.00 H new ATOM 1273 N ASP A 80 10.331 4.158 9.669 1.00 0.00 N ATOM 1274 CA ASP A 80 11.569 3.341 9.476 1.00 0.00 C ATOM 1275 C ASP A 80 12.290 3.796 8.204 1.00 0.00 C ATOM 1276 O ASP A 80 13.502 3.792 8.132 1.00 0.00 O ATOM 1277 CB ASP A 80 11.189 1.860 9.330 1.00 0.00 C ATOM 1278 CG ASP A 80 10.737 1.297 10.682 1.00 0.00 C ATOM 1279 OD1 ASP A 80 10.971 1.951 11.684 1.00 0.00 O ATOM 1280 OD2 ASP A 80 10.162 0.221 10.688 1.00 0.00 O ATOM 0 H ASP A 80 9.457 3.638 9.590 1.00 0.00 H new ATOM 0 HA ASP A 80 12.223 3.472 10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.390 1.752 8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.042 1.293 8.958 1.00 0.00 H new ATOM 1285 N LEU A 81 11.545 4.166 7.197 1.00 0.00 N ATOM 1286 CA LEU A 81 12.165 4.604 5.909 1.00 0.00 C ATOM 1287 C LEU A 81 12.519 6.089 5.992 1.00 0.00 C ATOM 1288 O LEU A 81 13.135 6.637 5.101 1.00 0.00 O ATOM 1289 CB LEU A 81 11.157 4.385 4.767 1.00 0.00 C ATOM 1290 CG LEU A 81 10.848 2.886 4.626 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.657 2.689 3.678 1.00 0.00 C ATOM 1292 CD2 LEU A 81 12.077 2.145 4.068 1.00 0.00 C ATOM 0 H LEU A 81 10.525 4.184 7.210 1.00 0.00 H new ATOM 0 HA LEU A 81 13.070 4.025 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.239 4.937 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.563 4.772 3.832 1.00 0.00 H new ATOM 0 HG LEU A 81 10.601 2.482 5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.441 1.625 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.783 3.201 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.900 3.101 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.849 1.083 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.334 2.551 3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.920 2.275 4.747 1.00 0.00 H new ATOM 1304 N GLY A 82 12.132 6.739 7.053 1.00 0.00 N ATOM 1305 CA GLY A 82 12.434 8.196 7.209 1.00 0.00 C ATOM 1306 C GLY A 82 13.781 8.372 7.917 1.00 0.00 C ATOM 1307 O GLY A 82 13.778 8.840 9.044 1.00 0.00 O ATOM 1308 OXT GLY A 82 14.790 8.038 7.321 1.00 0.00 O ATOM 0 H GLY A 82 11.615 6.323 7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.460 8.678 6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.645 8.681 7.783 1.00 0.00 H new TER 1312 GLY A 82