USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 Single : A 1 VAL N :NH3+ -125:sc= -0.134 (180deg=-0.485) USER MOD Single : A 5 TYR OH : rot 143:sc= 1.25 USER MOD Single : A 8 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.328 K(o=0.33,f=-6.1!) USER MOD Single : A 12 CYS SG : rot 35:sc= 0.609 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.096 USER MOD Single : A 25 THR OG1 : rot 63:sc= 1.48 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0167 (180deg=-0.211) USER MOD Single : A 30 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0598) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00809 USER MOD Single : A 34 SER OG : rot 5:sc= 1.22 USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.396 F(o=-1.8,f=-0.39) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.944 X(o=-0.94,f=-0.64) USER MOD Single : A 50 ASN : amide:sc= 1.06 K(o=1.1,f=-4.2!) USER MOD Single : A 55 ASN : amide:sc= 0.35 K(o=0.35,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.706 12.444 5.601 1.00 0.00 N ATOM 2 CA VAL A 1 5.533 11.134 4.924 1.00 0.00 C ATOM 3 C VAL A 1 4.578 10.272 5.712 1.00 0.00 C ATOM 4 O VAL A 1 4.234 10.588 6.854 1.00 0.00 O ATOM 5 CB VAL A 1 6.877 10.422 4.710 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.802 11.300 3.836 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.560 10.039 6.043 1.00 0.00 C ATOM 0 H1 VAL A 1 5.485 13.211 4.934 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.065 12.500 6.418 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.689 12.540 5.926 1.00 0.00 H new ATOM 0 HA VAL A 1 5.111 11.314 3.935 1.00 0.00 H new ATOM 0 HB VAL A 1 6.680 9.485 4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.754 10.790 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.330 11.476 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.975 12.254 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.506 9.539 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.746 10.939 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.910 9.368 6.605 1.00 0.00 H new ATOM 19 N ARG A 2 4.129 9.144 5.113 1.00 0.00 N ATOM 20 CA ARG A 2 3.299 8.169 5.781 1.00 0.00 C ATOM 21 C ARG A 2 4.134 6.934 5.983 1.00 0.00 C ATOM 22 O ARG A 2 5.140 6.731 5.298 1.00 0.00 O ATOM 23 CB ARG A 2 2.060 7.689 4.976 1.00 0.00 C ATOM 24 CG ARG A 2 1.083 8.772 4.482 1.00 0.00 C ATOM 25 CD ARG A 2 1.414 9.318 3.079 1.00 0.00 C ATOM 26 NE ARG A 2 0.148 9.675 2.346 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.575 10.813 2.580 1.00 0.00 C ATOM 28 NH1 ARG A 2 -0.219 11.694 3.559 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.665 11.073 1.799 1.00 0.00 N ATOM 0 H ARG A 2 4.346 8.903 4.146 1.00 0.00 H new ATOM 0 HA ARG A 2 2.943 8.657 6.688 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.415 7.132 4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.503 6.989 5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.074 8.360 4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.083 9.599 5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.053 10.197 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.972 8.572 2.513 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.191 9.030 1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.602 11.511 4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.774 12.536 3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.927 10.424 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.217 11.916 1.958 1.00 0.00 H new ATOM 43 N ASP A 3 3.674 6.040 6.886 1.00 0.00 N ATOM 44 CA ASP A 3 4.046 4.655 6.898 1.00 0.00 C ATOM 45 C ASP A 3 2.653 4.132 6.996 1.00 0.00 C ATOM 46 O ASP A 3 1.888 4.654 7.809 1.00 0.00 O ATOM 47 CB ASP A 3 4.854 4.183 8.137 1.00 0.00 C ATOM 48 CG ASP A 3 6.112 5.037 8.311 1.00 0.00 C ATOM 49 OD1 ASP A 3 6.916 5.117 7.346 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.285 5.622 9.413 1.00 0.00 O ATOM 0 H ASP A 3 3.023 6.291 7.630 1.00 0.00 H new ATOM 0 HA ASP A 3 4.694 4.356 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.234 4.251 9.031 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.131 3.135 8.021 1.00 0.00 H new ATOM 55 N GLY A 4 2.232 3.202 6.118 1.00 0.00 N ATOM 56 CA GLY A 4 0.904 2.673 6.216 1.00 0.00 C ATOM 57 C GLY A 4 0.987 1.430 5.421 1.00 0.00 C ATOM 58 O GLY A 4 2.071 1.080 4.954 1.00 0.00 O ATOM 0 H GLY A 4 2.795 2.823 5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.623 2.474 7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.163 3.363 5.812 1.00 0.00 H new ATOM 62 N TYR A 5 -0.180 0.803 5.147 1.00 0.00 N ATOM 63 CA TYR A 5 -0.270 -0.195 4.115 1.00 0.00 C ATOM 64 C TYR A 5 -0.383 0.605 2.853 1.00 0.00 C ATOM 65 O TYR A 5 -1.029 1.650 2.868 1.00 0.00 O ATOM 66 CB TYR A 5 -1.519 -1.091 4.207 1.00 0.00 C ATOM 67 CG TYR A 5 -1.402 -2.059 5.344 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.824 -1.718 6.642 1.00 0.00 C ATOM 69 CD2 TYR A 5 -0.896 -3.347 5.107 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.770 -2.660 7.677 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.860 -4.296 6.133 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.312 -3.958 7.416 1.00 0.00 C ATOM 73 OH TYR A 5 -1.367 -4.949 8.420 1.00 0.00 O ATOM 0 H TYR A 5 -1.056 0.986 5.637 1.00 0.00 H new ATOM 0 HA TYR A 5 0.586 -0.866 4.183 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.406 -0.472 4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.650 -1.636 3.272 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.192 -0.723 6.842 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.532 -3.607 4.124 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.081 -2.386 8.674 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.484 -5.289 5.937 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.596 -5.812 8.016 1.00 0.00 H new ATOM 83 N ILE A 6 0.245 0.162 1.743 1.00 0.00 N ATOM 84 CA ILE A 6 0.127 0.847 0.482 1.00 0.00 C ATOM 85 C ILE A 6 -1.049 0.217 -0.218 1.00 0.00 C ATOM 86 O ILE A 6 -1.300 -1.001 -0.120 1.00 0.00 O ATOM 87 CB ILE A 6 1.402 0.961 -0.366 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.258 2.010 -1.507 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.868 -0.416 -0.855 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.489 2.167 -2.405 1.00 0.00 C ATOM 0 H ILE A 6 0.835 -0.670 1.717 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.044 1.908 0.665 1.00 0.00 H new ATOM 0 HB ILE A 6 2.196 1.344 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.407 1.733 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.026 2.978 -1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.773 -0.303 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.077 -1.055 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.086 -0.870 -1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.289 2.920 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.342 2.479 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.713 1.214 -2.885 1.00 0.00 H new ATOM 102 N ALA A 7 -1.784 1.131 -0.890 1.00 0.00 N ATOM 103 CA ALA A 7 -3.008 0.930 -1.589 1.00 0.00 C ATOM 104 C ALA A 7 -2.757 1.303 -3.006 1.00 0.00 C ATOM 105 O ALA A 7 -1.631 1.280 -3.488 1.00 0.00 O ATOM 106 CB ALA A 7 -4.131 1.865 -1.108 1.00 0.00 C ATOM 0 H ALA A 7 -1.482 2.104 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.317 -0.104 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.039 1.666 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.321 1.691 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.830 2.902 -1.257 1.00 0.00 H new ATOM 112 N GLN A 8 -3.832 1.719 -3.687 1.00 0.00 N ATOM 113 CA GLN A 8 -3.817 2.245 -5.005 1.00 0.00 C ATOM 114 C GLN A 8 -4.600 3.476 -4.675 1.00 0.00 C ATOM 115 O GLN A 8 -5.429 3.358 -3.766 1.00 0.00 O ATOM 116 CB GLN A 8 -4.632 1.367 -5.982 1.00 0.00 C ATOM 117 CG GLN A 8 -4.133 -0.086 -6.022 1.00 0.00 C ATOM 118 CD GLN A 8 -5.150 -0.935 -6.781 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.302 -0.778 -7.996 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.869 -1.837 -6.056 1.00 0.00 N ATOM 0 H GLN A 8 -4.771 1.685 -3.289 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.842 2.351 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.681 1.380 -5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.576 1.795 -6.983 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.160 -0.137 -6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.003 -0.468 -5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.707 -1.930 -5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.569 -2.419 -6.516 1.00 0.00 H new ATOM 129 N PRO A 9 -4.407 4.631 -5.292 1.00 0.00 N ATOM 130 CA PRO A 9 -5.237 5.792 -5.032 1.00 0.00 C ATOM 131 C PRO A 9 -6.609 5.505 -5.612 1.00 0.00 C ATOM 132 O PRO A 9 -6.674 4.785 -6.606 1.00 0.00 O ATOM 133 CB PRO A 9 -4.528 6.936 -5.776 1.00 0.00 C ATOM 134 CG PRO A 9 -3.712 6.249 -6.881 1.00 0.00 C ATOM 135 CD PRO A 9 -3.344 4.900 -6.260 1.00 0.00 C ATOM 0 HA PRO A 9 -5.367 6.040 -3.978 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.248 7.639 -6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.883 7.503 -5.105 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.295 6.126 -7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.825 6.826 -7.144 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.291 4.117 -7.017 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.369 4.941 -5.775 1.00 0.00 H new ATOM 143 N GLU A 10 -7.734 5.985 -5.036 1.00 0.00 N ATOM 144 CA GLU A 10 -7.830 6.981 -3.999 1.00 0.00 C ATOM 145 C GLU A 10 -7.574 6.351 -2.663 1.00 0.00 C ATOM 146 O GLU A 10 -6.891 6.896 -1.803 1.00 0.00 O ATOM 147 CB GLU A 10 -9.257 7.582 -3.956 1.00 0.00 C ATOM 148 CG GLU A 10 -9.691 8.262 -5.268 1.00 0.00 C ATOM 149 CD GLU A 10 -8.720 9.390 -5.618 1.00 0.00 C ATOM 150 OE1 GLU A 10 -8.604 10.344 -4.804 1.00 0.00 O ATOM 151 OE2 GLU A 10 -8.075 9.306 -6.698 1.00 0.00 O ATOM 0 H GLU A 10 -8.654 5.648 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.096 7.758 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.967 6.790 -3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.309 8.311 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.717 7.530 -6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.701 8.659 -5.165 1.00 0.00 H new ATOM 158 N ASN A 11 -8.145 5.157 -2.488 1.00 0.00 N ATOM 159 CA ASN A 11 -8.141 4.356 -1.319 1.00 0.00 C ATOM 160 C ASN A 11 -8.319 3.096 -2.077 1.00 0.00 C ATOM 161 O ASN A 11 -8.921 3.170 -3.146 1.00 0.00 O ATOM 162 CB ASN A 11 -9.414 4.542 -0.453 1.00 0.00 C ATOM 163 CG ASN A 11 -9.419 3.609 0.765 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.364 3.156 1.222 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.631 3.362 1.335 1.00 0.00 N ATOM 0 H ASN A 11 -8.662 4.710 -3.245 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.308 4.502 -0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.477 5.577 -0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.298 4.350 -1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.692 2.783 2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.477 3.756 0.925 1.00 0.00 H new ATOM 172 N CYS A 12 -7.835 1.974 -1.551 1.00 0.00 N ATOM 173 CA CYS A 12 -8.059 0.618 -1.991 1.00 0.00 C ATOM 174 C CYS A 12 -7.106 -0.040 -1.052 1.00 0.00 C ATOM 175 O CYS A 12 -6.779 0.527 -0.009 1.00 0.00 O ATOM 176 CB CYS A 12 -7.720 0.241 -3.479 1.00 0.00 C ATOM 177 SG CYS A 12 -8.884 0.836 -4.745 1.00 0.00 S ATOM 0 H CYS A 12 -7.224 2.004 -0.735 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.115 0.348 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.730 0.631 -3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.660 -0.845 -3.552 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.351 1.997 -4.393 1.00 0.00 H new ATOM 182 N VAL A 13 -6.590 -1.212 -1.437 1.00 0.00 N ATOM 183 CA VAL A 13 -5.421 -1.830 -0.910 1.00 0.00 C ATOM 184 C VAL A 13 -4.760 -2.139 -2.217 1.00 0.00 C ATOM 185 O VAL A 13 -5.394 -1.993 -3.270 1.00 0.00 O ATOM 186 CB VAL A 13 -5.660 -3.118 -0.132 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.906 -2.747 1.338 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.822 -3.932 -0.738 1.00 0.00 C ATOM 0 H VAL A 13 -7.023 -1.770 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.889 -1.217 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.785 -3.765 -0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.080 -3.653 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.034 -2.226 1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.779 -2.098 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.967 -4.845 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.735 -3.337 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.586 -4.190 -1.770 1.00 0.00 H new ATOM 198 N TYR A 14 -3.483 -2.580 -2.181 1.00 0.00 N ATOM 199 CA TYR A 14 -2.848 -3.213 -3.313 1.00 0.00 C ATOM 200 C TYR A 14 -3.222 -4.659 -3.158 1.00 0.00 C ATOM 201 O TYR A 14 -4.156 -4.981 -2.434 1.00 0.00 O ATOM 202 CB TYR A 14 -1.297 -3.010 -3.352 1.00 0.00 C ATOM 203 CG TYR A 14 -0.897 -2.274 -4.608 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.280 -2.740 -5.881 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.176 -1.073 -4.525 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.034 -1.975 -7.029 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.063 -0.300 -5.668 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.398 -0.731 -6.915 1.00 0.00 C ATOM 209 OH TYR A 14 -0.229 0.115 -8.033 1.00 0.00 O ATOM 0 H TYR A 14 -2.882 -2.498 -1.361 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.179 -2.781 -4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.975 -2.449 -2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.796 -3.977 -3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.769 -3.698 -5.973 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.199 -0.741 -3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.334 -2.343 -7.999 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.604 0.631 -5.586 1.00 0.00 H new ATOM 0 HH TYR A 14 0.233 0.934 -7.757 1.00 0.00 H new ATOM 219 N HIS A 15 -2.516 -5.584 -3.812 1.00 0.00 N ATOM 220 CA HIS A 15 -2.615 -6.957 -3.476 1.00 0.00 C ATOM 221 C HIS A 15 -1.183 -7.232 -3.694 1.00 0.00 C ATOM 222 O HIS A 15 -0.466 -6.404 -4.266 1.00 0.00 O ATOM 223 CB HIS A 15 -3.526 -7.825 -4.368 1.00 0.00 C ATOM 224 CG HIS A 15 -4.967 -7.659 -3.968 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.789 -6.695 -4.488 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.648 -8.267 -2.969 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.936 -6.721 -3.821 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.875 -7.668 -2.893 1.00 0.00 N ATOM 0 H HIS A 15 -1.874 -5.379 -4.577 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.067 -7.178 -2.509 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.398 -7.543 -5.413 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.237 -8.873 -4.283 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.289 -9.074 -2.348 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.783 -6.076 -4.004 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.617 -7.908 -2.235 1.00 0.00 H new ATOM 237 N CYS A 16 -0.714 -8.356 -3.176 1.00 0.00 N ATOM 238 CA CYS A 16 0.655 -8.708 -3.207 1.00 0.00 C ATOM 239 C CYS A 16 0.413 -10.155 -2.967 1.00 0.00 C ATOM 240 O CYS A 16 -0.694 -10.635 -3.219 1.00 0.00 O ATOM 241 CB CYS A 16 1.486 -8.011 -2.102 1.00 0.00 C ATOM 242 SG CYS A 16 3.268 -8.372 -2.122 1.00 0.00 S ATOM 0 H CYS A 16 -1.305 -9.049 -2.717 1.00 0.00 H new ATOM 0 HA CYS A 16 1.238 -8.439 -4.087 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.350 -6.933 -2.194 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.084 -8.302 -1.131 1.00 0.00 H new ATOM 247 N PHE A 17 1.406 -10.875 -2.449 1.00 0.00 N ATOM 248 CA PHE A 17 1.455 -12.287 -2.392 1.00 0.00 C ATOM 249 C PHE A 17 2.178 -12.414 -1.083 1.00 0.00 C ATOM 250 O PHE A 17 2.644 -11.369 -0.617 1.00 0.00 O ATOM 251 CB PHE A 17 2.337 -12.813 -3.551 1.00 0.00 C ATOM 252 CG PHE A 17 1.859 -12.254 -4.877 1.00 0.00 C ATOM 253 CD1 PHE A 17 0.612 -12.627 -5.414 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.605 -11.258 -5.542 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.156 -12.073 -6.617 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.151 -10.704 -6.744 1.00 0.00 C ATOM 257 CZ PHE A 17 0.932 -11.122 -7.289 1.00 0.00 C ATOM 0 H PHE A 17 2.233 -10.438 -2.041 1.00 0.00 H new ATOM 0 HA PHE A 17 0.508 -12.822 -2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.376 -12.529 -3.383 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.304 -13.902 -3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.000 -13.348 -4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.538 -10.919 -5.118 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.795 -12.380 -7.026 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.741 -9.954 -7.251 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.590 -10.711 -8.227 1.00 0.00 H new ATOM 267 N PRO A 18 2.330 -13.548 -0.429 1.00 0.00 N ATOM 268 CA PRO A 18 3.039 -13.619 0.844 1.00 0.00 C ATOM 269 C PRO A 18 4.547 -13.570 0.656 1.00 0.00 C ATOM 270 O PRO A 18 5.227 -14.556 0.930 1.00 0.00 O ATOM 271 CB PRO A 18 2.573 -14.959 1.448 1.00 0.00 C ATOM 272 CG PRO A 18 2.122 -15.801 0.246 1.00 0.00 C ATOM 273 CD PRO A 18 1.541 -14.749 -0.696 1.00 0.00 C ATOM 0 HA PRO A 18 2.820 -12.772 1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.381 -15.449 1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.756 -14.811 2.155 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.955 -16.337 -0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.379 -16.547 0.529 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.627 -15.058 -1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.482 -14.581 -0.500 1.00 0.00 H new ATOM 281 N GLY A 19 5.102 -12.426 0.222 1.00 0.00 N ATOM 282 CA GLY A 19 6.513 -12.233 0.179 1.00 0.00 C ATOM 283 C GLY A 19 6.562 -10.857 -0.362 1.00 0.00 C ATOM 284 O GLY A 19 5.556 -10.367 -0.875 1.00 0.00 O ATOM 0 H GLY A 19 4.562 -11.624 -0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.976 -12.312 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.014 -12.954 -0.467 1.00 0.00 H new ATOM 288 N SER A 20 7.728 -10.188 -0.288 1.00 0.00 N ATOM 289 CA SER A 20 7.901 -8.833 -0.758 1.00 0.00 C ATOM 290 C SER A 20 8.165 -8.797 -2.243 1.00 0.00 C ATOM 291 O SER A 20 8.564 -7.762 -2.776 1.00 0.00 O ATOM 292 CB SER A 20 9.130 -8.181 -0.078 1.00 0.00 C ATOM 293 OG SER A 20 9.128 -8.457 1.320 1.00 0.00 O ATOM 0 H SER A 20 8.576 -10.593 0.107 1.00 0.00 H new ATOM 0 HA SER A 20 6.981 -8.299 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.047 -8.560 -0.529 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.116 -7.104 -0.243 1.00 0.00 H new ATOM 0 HG SER A 20 9.911 -8.040 1.737 1.00 0.00 H new ATOM 299 N SER A 21 7.972 -9.944 -2.927 1.00 0.00 N ATOM 300 CA SER A 21 8.435 -10.291 -4.239 1.00 0.00 C ATOM 301 C SER A 21 8.147 -9.259 -5.295 1.00 0.00 C ATOM 302 O SER A 21 9.062 -8.760 -5.941 1.00 0.00 O ATOM 303 CB SER A 21 7.846 -11.669 -4.625 1.00 0.00 C ATOM 304 OG SER A 21 7.796 -12.504 -3.465 1.00 0.00 O ATOM 0 H SER A 21 7.434 -10.706 -2.514 1.00 0.00 H new ATOM 0 HA SER A 21 9.523 -10.337 -4.195 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.846 -11.546 -5.042 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.458 -12.136 -5.397 1.00 0.00 H new ATOM 0 HG SER A 21 7.422 -13.377 -3.706 1.00 0.00 H new ATOM 310 N GLY A 22 6.866 -8.883 -5.496 1.00 0.00 N ATOM 311 CA GLY A 22 6.535 -7.938 -6.542 1.00 0.00 C ATOM 312 C GLY A 22 6.625 -6.544 -6.008 1.00 0.00 C ATOM 313 O GLY A 22 6.910 -5.581 -6.728 1.00 0.00 O ATOM 0 H GLY A 22 6.072 -9.220 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.216 -8.060 -7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.529 -8.131 -6.915 1.00 0.00 H new ATOM 317 N CYS A 23 6.362 -6.395 -4.695 1.00 0.00 N ATOM 318 CA CYS A 23 6.120 -5.091 -4.147 1.00 0.00 C ATOM 319 C CYS A 23 7.410 -4.411 -3.796 1.00 0.00 C ATOM 320 O CYS A 23 7.395 -3.235 -3.464 1.00 0.00 O ATOM 321 CB CYS A 23 5.156 -5.084 -2.943 1.00 0.00 C ATOM 322 SG CYS A 23 4.385 -3.450 -2.691 1.00 0.00 S ATOM 0 H CYS A 23 6.317 -7.161 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 23 5.617 -4.530 -4.935 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.378 -5.832 -3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.699 -5.371 -2.043 1.00 0.00 H new ATOM 327 N ASP A 24 8.577 -5.087 -3.919 1.00 0.00 N ATOM 328 CA ASP A 24 9.871 -4.439 -3.824 1.00 0.00 C ATOM 329 C ASP A 24 9.939 -3.376 -4.900 1.00 0.00 C ATOM 330 O ASP A 24 10.132 -2.197 -4.613 1.00 0.00 O ATOM 331 CB ASP A 24 11.043 -5.448 -3.976 1.00 0.00 C ATOM 332 CG ASP A 24 12.412 -4.843 -3.633 1.00 0.00 C ATOM 333 OD1 ASP A 24 12.464 -3.731 -3.044 1.00 0.00 O ATOM 334 OD2 ASP A 24 13.432 -5.511 -3.953 1.00 0.00 O ATOM 0 H ASP A 24 8.629 -6.092 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 24 9.976 -3.993 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.861 -6.307 -3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.064 -5.819 -5.001 1.00 0.00 H new ATOM 339 N THR A 25 9.665 -3.773 -6.159 1.00 0.00 N ATOM 340 CA THR A 25 9.516 -2.885 -7.277 1.00 0.00 C ATOM 341 C THR A 25 8.429 -1.854 -7.055 1.00 0.00 C ATOM 342 O THR A 25 8.694 -0.661 -7.201 1.00 0.00 O ATOM 343 CB THR A 25 9.232 -3.657 -8.558 1.00 0.00 C ATOM 344 OG1 THR A 25 8.932 -5.029 -8.286 1.00 0.00 O ATOM 345 CG2 THR A 25 10.501 -3.623 -9.434 1.00 0.00 C ATOM 0 H THR A 25 9.542 -4.754 -6.409 1.00 0.00 H new ATOM 0 HA THR A 25 10.465 -2.358 -7.376 1.00 0.00 H new ATOM 0 HB THR A 25 8.377 -3.197 -9.054 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.118 -5.084 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.320 -4.171 -10.359 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.753 -2.589 -9.669 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.328 -4.085 -8.895 1.00 0.00 H new ATOM 353 N LEU A 26 7.190 -2.282 -6.688 1.00 0.00 N ATOM 354 CA LEU A 26 6.056 -1.374 -6.596 1.00 0.00 C ATOM 355 C LEU A 26 6.278 -0.342 -5.527 1.00 0.00 C ATOM 356 O LEU A 26 5.972 0.835 -5.704 1.00 0.00 O ATOM 357 CB LEU A 26 4.685 -2.024 -6.274 1.00 0.00 C ATOM 358 CG LEU A 26 3.946 -2.668 -7.470 1.00 0.00 C ATOM 359 CD1 LEU A 26 4.584 -3.957 -8.003 1.00 0.00 C ATOM 360 CD2 LEU A 26 2.472 -2.915 -7.103 1.00 0.00 C ATOM 0 H LEU A 26 6.971 -3.251 -6.455 1.00 0.00 H new ATOM 0 HA LEU A 26 6.006 -0.956 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.837 -2.788 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.037 -1.263 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 26 4.025 -1.950 -8.286 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.997 -4.335 -8.840 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.600 -3.749 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.609 -4.705 -7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.957 -3.369 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.418 -3.584 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.995 -1.967 -6.854 1.00 0.00 H new ATOM 372 N CYS A 27 6.835 -0.752 -4.373 1.00 0.00 N ATOM 373 CA CYS A 27 7.050 0.137 -3.261 1.00 0.00 C ATOM 374 C CYS A 27 8.060 1.173 -3.659 1.00 0.00 C ATOM 375 O CYS A 27 7.851 2.356 -3.404 1.00 0.00 O ATOM 376 CB CYS A 27 7.502 -0.606 -1.977 1.00 0.00 C ATOM 377 SG CYS A 27 7.361 0.369 -0.462 1.00 0.00 S ATOM 0 H CYS A 27 7.141 -1.710 -4.204 1.00 0.00 H new ATOM 0 HA CYS A 27 6.099 0.611 -3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.907 -1.513 -1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.539 -0.918 -2.099 1.00 0.00 H new ATOM 382 N LYS A 28 9.145 0.774 -4.363 1.00 0.00 N ATOM 383 CA LYS A 28 10.198 1.704 -4.701 1.00 0.00 C ATOM 384 C LYS A 28 9.731 2.704 -5.721 1.00 0.00 C ATOM 385 O LYS A 28 10.052 3.883 -5.603 1.00 0.00 O ATOM 386 CB LYS A 28 11.490 1.026 -5.222 1.00 0.00 C ATOM 387 CG LYS A 28 12.238 0.217 -4.145 1.00 0.00 C ATOM 388 CD LYS A 28 12.887 1.072 -3.042 1.00 0.00 C ATOM 389 CE LYS A 28 13.491 0.249 -1.893 1.00 0.00 C ATOM 390 NZ LYS A 28 12.448 -0.536 -1.191 1.00 0.00 N ATOM 0 H LYS A 28 9.295 -0.179 -4.696 1.00 0.00 H new ATOM 0 HA LYS A 28 10.445 2.203 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.235 0.365 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.157 1.791 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.540 -0.481 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.012 -0.379 -4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.669 1.688 -3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.139 1.752 -2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.254 -0.424 -2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.986 0.915 -1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.828 -0.890 -0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.623 0.070 -1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.160 -1.340 -1.785 1.00 0.00 H new ATOM 404 N GLU A 29 8.944 2.274 -6.735 1.00 0.00 N ATOM 405 CA GLU A 29 8.495 3.180 -7.775 1.00 0.00 C ATOM 406 C GLU A 29 7.436 4.141 -7.282 1.00 0.00 C ATOM 407 O GLU A 29 7.351 5.264 -7.777 1.00 0.00 O ATOM 408 CB GLU A 29 8.009 2.463 -9.062 1.00 0.00 C ATOM 409 CG GLU A 29 6.755 1.592 -8.897 1.00 0.00 C ATOM 410 CD GLU A 29 6.525 0.760 -10.157 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.282 1.370 -11.232 1.00 0.00 O ATOM 412 OE2 GLU A 29 6.589 -0.495 -10.063 1.00 0.00 O ATOM 0 H GLU A 29 8.619 1.313 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 29 9.384 3.750 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.810 3.216 -9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.819 1.837 -9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.869 0.936 -8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.887 2.223 -8.705 1.00 0.00 H new ATOM 419 N LYS A 30 6.608 3.729 -6.289 1.00 0.00 N ATOM 420 CA LYS A 30 5.601 4.591 -5.698 1.00 0.00 C ATOM 421 C LYS A 30 6.234 5.481 -4.657 1.00 0.00 C ATOM 422 O LYS A 30 5.740 6.572 -4.373 1.00 0.00 O ATOM 423 CB LYS A 30 4.442 3.803 -5.045 1.00 0.00 C ATOM 424 CG LYS A 30 3.606 2.972 -6.044 1.00 0.00 C ATOM 425 CD LYS A 30 2.746 3.781 -7.035 1.00 0.00 C ATOM 426 CE LYS A 30 1.611 4.603 -6.397 1.00 0.00 C ATOM 427 NZ LYS A 30 0.647 3.741 -5.670 1.00 0.00 N ATOM 0 H LYS A 30 6.634 2.791 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 30 5.181 5.183 -6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.852 3.136 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.784 4.504 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.283 2.336 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.950 2.311 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.397 4.458 -7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.312 3.093 -7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.035 5.335 -5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.086 5.161 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.306 4.151 -5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.647 2.790 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.924 3.678 -4.669 1.00 0.00 H new ATOM 441 N GLY A 31 7.372 5.037 -4.088 1.00 0.00 N ATOM 442 CA GLY A 31 8.304 5.909 -3.417 1.00 0.00 C ATOM 443 C GLY A 31 8.361 5.584 -1.967 1.00 0.00 C ATOM 444 O GLY A 31 8.457 6.487 -1.141 1.00 0.00 O ATOM 0 H GLY A 31 7.654 4.057 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.295 5.804 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.003 6.948 -3.552 1.00 0.00 H new ATOM 448 N GLY A 32 8.290 4.284 -1.613 1.00 0.00 N ATOM 449 CA GLY A 32 8.477 3.817 -0.269 1.00 0.00 C ATOM 450 C GLY A 32 9.781 3.097 -0.295 1.00 0.00 C ATOM 451 O GLY A 32 10.092 2.363 -1.234 1.00 0.00 O ATOM 0 H GLY A 32 8.097 3.537 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.497 4.646 0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.666 3.156 0.037 1.00 0.00 H new ATOM 455 N THR A 33 10.607 3.327 0.740 1.00 0.00 N ATOM 456 CA THR A 33 11.997 2.963 0.742 1.00 0.00 C ATOM 457 C THR A 33 12.189 1.770 1.638 1.00 0.00 C ATOM 458 O THR A 33 13.311 1.354 1.932 1.00 0.00 O ATOM 459 CB THR A 33 12.835 4.144 1.188 1.00 0.00 C ATOM 460 OG1 THR A 33 12.211 4.800 2.290 1.00 0.00 O ATOM 461 CG2 THR A 33 12.920 5.131 0.004 1.00 0.00 C ATOM 0 H THR A 33 10.304 3.779 1.603 1.00 0.00 H new ATOM 0 HA THR A 33 12.321 2.692 -0.263 1.00 0.00 H new ATOM 0 HB THR A 33 13.825 3.805 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.761 5.561 2.572 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.518 5.995 0.293 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.385 4.637 -0.849 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.917 5.459 -0.269 1.00 0.00 H new ATOM 469 N SER A 34 11.086 1.154 2.089 1.00 0.00 N ATOM 470 CA SER A 34 11.111 -0.161 2.643 1.00 0.00 C ATOM 471 C SER A 34 9.680 -0.501 2.489 1.00 0.00 C ATOM 472 O SER A 34 8.863 0.418 2.371 1.00 0.00 O ATOM 473 CB SER A 34 11.515 -0.227 4.127 1.00 0.00 C ATOM 474 OG SER A 34 12.895 0.087 4.249 1.00 0.00 O ATOM 0 H SER A 34 10.158 1.577 2.069 1.00 0.00 H new ATOM 0 HA SER A 34 11.841 -0.816 2.167 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.917 0.473 4.711 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.319 -1.222 4.526 1.00 0.00 H new ATOM 0 HG SER A 34 13.251 0.343 3.373 1.00 0.00 H new ATOM 480 N GLY A 35 9.347 -1.805 2.468 1.00 0.00 N ATOM 481 CA GLY A 35 8.007 -2.236 2.274 1.00 0.00 C ATOM 482 C GLY A 35 8.160 -3.697 2.435 1.00 0.00 C ATOM 483 O GLY A 35 9.292 -4.176 2.520 1.00 0.00 O ATOM 0 H GLY A 35 10.018 -2.564 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.325 -1.808 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.625 -1.967 1.289 1.00 0.00 H new ATOM 487 N HIS A 36 7.030 -4.419 2.496 1.00 0.00 N ATOM 488 CA HIS A 36 6.961 -5.840 2.662 1.00 0.00 C ATOM 489 C HIS A 36 5.513 -5.998 2.343 1.00 0.00 C ATOM 490 O HIS A 36 4.881 -5.003 1.977 1.00 0.00 O ATOM 491 CB HIS A 36 7.281 -6.382 4.083 1.00 0.00 C ATOM 492 CG HIS A 36 6.476 -5.772 5.204 1.00 0.00 C ATOM 493 ND1 HIS A 36 5.368 -6.237 5.829 1.00 0.00 N flip ATOM 494 CD2 HIS A 36 6.781 -4.564 5.773 1.00 0.00 C flip ATOM 495 CE1 HIS A 36 5.016 -5.308 6.771 1.00 0.00 C flip ATOM 496 NE2 HIS A 36 5.888 -4.311 6.720 1.00 0.00 N flip ATOM 0 H HIS A 36 6.109 -3.987 2.425 1.00 0.00 H new ATOM 0 HA HIS A 36 7.692 -6.388 2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.120 -7.460 4.087 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.339 -6.217 4.287 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.608 -3.926 5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.172 -5.376 7.441 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.874 -3.482 7.314 1.00 0.00 H new ATOM 505 N CYS A 37 4.925 -7.199 2.476 1.00 0.00 N ATOM 506 CA CYS A 37 3.531 -7.374 2.173 1.00 0.00 C ATOM 507 C CYS A 37 2.992 -8.036 3.384 1.00 0.00 C ATOM 508 O CYS A 37 3.768 -8.580 4.171 1.00 0.00 O ATOM 509 CB CYS A 37 3.285 -8.218 0.909 1.00 0.00 C ATOM 510 SG CYS A 37 3.905 -7.305 -0.534 1.00 0.00 S ATOM 0 H CYS A 37 5.404 -8.043 2.789 1.00 0.00 H new ATOM 0 HA CYS A 37 3.046 -6.424 1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.791 -9.180 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.221 -8.426 0.795 1.00 0.00 H new ATOM 515 N GLY A 38 1.663 -7.966 3.592 1.00 0.00 N ATOM 516 CA GLY A 38 1.057 -8.441 4.792 1.00 0.00 C ATOM 517 C GLY A 38 -0.374 -8.167 4.506 1.00 0.00 C ATOM 518 O GLY A 38 -0.700 -7.676 3.419 1.00 0.00 O ATOM 0 H GLY A 38 1.005 -7.575 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.249 -9.500 4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.412 -7.908 5.674 1.00 0.00 H new ATOM 522 N PHE A 39 -1.263 -8.489 5.469 1.00 0.00 N ATOM 523 CA PHE A 39 -2.691 -8.453 5.282 1.00 0.00 C ATOM 524 C PHE A 39 -3.170 -7.204 5.957 1.00 0.00 C ATOM 525 O PHE A 39 -2.595 -6.813 6.979 1.00 0.00 O ATOM 526 CB PHE A 39 -3.377 -9.683 5.943 1.00 0.00 C ATOM 527 CG PHE A 39 -4.681 -10.045 5.283 1.00 0.00 C ATOM 528 CD1 PHE A 39 -4.695 -10.940 4.201 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.902 -9.535 5.750 1.00 0.00 C ATOM 530 CE1 PHE A 39 -5.900 -11.327 3.604 1.00 0.00 C ATOM 531 CE2 PHE A 39 -7.112 -9.910 5.153 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.112 -10.819 4.087 1.00 0.00 C ATOM 0 H PHE A 39 -0.984 -8.783 6.405 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.935 -8.472 4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.702 -10.538 5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.554 -9.472 6.998 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.763 -11.335 3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.909 -8.844 6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.895 -12.016 2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.043 -9.499 5.514 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.045 -11.127 3.639 1.00 0.00 H new ATOM 542 N LYS A 40 -4.234 -6.572 5.409 1.00 0.00 N ATOM 543 CA LYS A 40 -4.910 -5.474 6.044 1.00 0.00 C ATOM 544 C LYS A 40 -6.292 -6.029 6.206 1.00 0.00 C ATOM 545 O LYS A 40 -6.984 -6.298 5.224 1.00 0.00 O ATOM 546 CB LYS A 40 -4.928 -4.188 5.178 1.00 0.00 C ATOM 547 CG LYS A 40 -5.359 -2.891 5.899 1.00 0.00 C ATOM 548 CD LYS A 40 -6.831 -2.840 6.346 1.00 0.00 C ATOM 549 CE LYS A 40 -7.357 -1.440 6.695 1.00 0.00 C ATOM 550 NZ LYS A 40 -6.611 -0.838 7.824 1.00 0.00 N ATOM 0 H LYS A 40 -4.632 -6.830 4.506 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.429 -5.158 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.930 -4.037 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.599 -4.351 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.726 -2.756 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.169 -2.047 5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.451 -3.256 5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.953 -3.485 7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.278 -0.794 5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.415 -1.502 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.995 0.106 8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.707 -1.442 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.606 -0.755 7.571 1.00 0.00 H new ATOM 564 N VAL A 41 -6.727 -6.255 7.461 1.00 0.00 N ATOM 565 CA VAL A 41 -7.982 -6.906 7.739 1.00 0.00 C ATOM 566 C VAL A 41 -9.051 -5.857 7.576 1.00 0.00 C ATOM 567 O VAL A 41 -8.902 -4.742 8.066 1.00 0.00 O ATOM 568 CB VAL A 41 -8.045 -7.529 9.129 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.239 -8.505 9.208 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.717 -8.259 9.434 1.00 0.00 C ATOM 0 H VAL A 41 -6.206 -5.985 8.295 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.117 -7.740 7.050 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.188 -6.747 9.875 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.281 -8.949 10.203 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.165 -7.964 9.012 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.115 -9.292 8.465 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.766 -8.703 10.428 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.554 -9.043 8.694 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.893 -7.547 9.395 1.00 0.00 H new ATOM 580 N GLY A 42 -10.135 -6.183 6.840 1.00 0.00 N ATOM 581 CA GLY A 42 -11.125 -5.199 6.467 1.00 0.00 C ATOM 582 C GLY A 42 -10.848 -4.755 5.064 1.00 0.00 C ATOM 583 O GLY A 42 -11.357 -3.734 4.608 1.00 0.00 O ATOM 0 H GLY A 42 -10.330 -7.125 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.127 -5.623 6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.089 -4.348 7.148 1.00 0.00 H new ATOM 587 N HIS A 43 -10.021 -5.525 4.334 1.00 0.00 N ATOM 588 CA HIS A 43 -9.828 -5.314 2.928 1.00 0.00 C ATOM 589 C HIS A 43 -9.460 -6.658 2.376 1.00 0.00 C ATOM 590 O HIS A 43 -10.284 -7.350 1.782 1.00 0.00 O ATOM 591 CB HIS A 43 -8.681 -4.329 2.589 1.00 0.00 C ATOM 592 CG HIS A 43 -9.044 -2.868 2.488 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.561 -2.321 1.341 1.00 0.00 N ATOM 594 CD2 HIS A 43 -8.717 -1.837 3.302 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.528 -0.999 1.455 1.00 0.00 C ATOM 596 NE2 HIS A 43 -9.021 -0.680 2.636 1.00 0.00 N ATOM 0 H HIS A 43 -9.481 -6.300 4.719 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.735 -4.879 2.509 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.907 -4.435 3.349 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.240 -4.635 1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.295 -1.913 4.293 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.861 -0.297 0.705 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.881 0.267 2.989 1.00 0.00 H new ATOM 605 N GLY A 44 -8.190 -7.069 2.537 1.00 0.00 N ATOM 606 CA GLY A 44 -7.682 -8.174 1.796 1.00 0.00 C ATOM 607 C GLY A 44 -6.225 -8.030 2.013 1.00 0.00 C ATOM 608 O GLY A 44 -5.793 -7.221 2.840 1.00 0.00 O ATOM 0 H GLY A 44 -7.522 -6.638 3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.060 -9.126 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.947 -8.117 0.740 1.00 0.00 H new ATOM 612 N LEU A 45 -5.421 -8.797 1.249 1.00 0.00 N ATOM 613 CA LEU A 45 -3.983 -8.751 1.342 1.00 0.00 C ATOM 614 C LEU A 45 -3.580 -7.483 0.638 1.00 0.00 C ATOM 615 O LEU A 45 -4.243 -7.099 -0.324 1.00 0.00 O ATOM 616 CB LEU A 45 -3.325 -10.028 0.754 1.00 0.00 C ATOM 617 CG LEU A 45 -1.911 -10.358 1.295 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.736 -11.872 1.528 1.00 0.00 C ATOM 619 CD2 LEU A 45 -0.795 -9.846 0.374 1.00 0.00 C ATOM 0 H LEU A 45 -5.769 -9.459 0.556 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.636 -8.737 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.979 -10.877 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.265 -9.919 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.825 -9.838 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.733 -12.068 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.472 -12.216 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.878 -12.404 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.175 -10.104 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.894 -10.307 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.872 -8.763 0.276 1.00 0.00 H new ATOM 631 N ALA A 46 -2.559 -6.766 1.153 1.00 0.00 N ATOM 632 CA ALA A 46 -2.271 -5.413 0.745 1.00 0.00 C ATOM 633 C ALA A 46 -0.796 -5.394 0.502 1.00 0.00 C ATOM 634 O ALA A 46 -0.186 -6.458 0.410 1.00 0.00 O ATOM 635 CB ALA A 46 -2.630 -4.416 1.866 1.00 0.00 C ATOM 0 H ALA A 46 -1.922 -7.127 1.863 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.846 -5.123 -0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.405 -3.402 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.692 -4.495 2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.047 -4.646 2.758 1.00 0.00 H new ATOM 641 N CYS A 47 -0.147 -4.205 0.419 1.00 0.00 N ATOM 642 CA CYS A 47 1.299 -4.212 0.481 1.00 0.00 C ATOM 643 C CYS A 47 1.522 -3.212 1.568 1.00 0.00 C ATOM 644 O CYS A 47 0.576 -2.513 1.925 1.00 0.00 O ATOM 645 CB CYS A 47 1.978 -3.871 -0.876 1.00 0.00 C ATOM 646 SG CYS A 47 3.771 -3.545 -0.782 1.00 0.00 S ATOM 0 H CYS A 47 -0.587 -3.291 0.315 1.00 0.00 H new ATOM 0 HA CYS A 47 1.748 -5.184 0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.810 -4.697 -1.567 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.487 -2.996 -1.301 1.00 0.00 H new ATOM 651 N TRP A 48 2.742 -3.125 2.142 1.00 0.00 N ATOM 652 CA TRP A 48 3.069 -2.177 3.172 1.00 0.00 C ATOM 653 C TRP A 48 4.234 -1.438 2.595 1.00 0.00 C ATOM 654 O TRP A 48 5.015 -2.027 1.852 1.00 0.00 O ATOM 655 CB TRP A 48 3.439 -2.861 4.522 1.00 0.00 C ATOM 656 CG TRP A 48 3.978 -1.942 5.610 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.242 -1.431 5.704 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.235 -1.379 6.707 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.330 -0.551 6.747 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.106 -0.493 7.380 1.00 0.00 C ATOM 661 CE3 TRP A 48 1.922 -1.557 7.132 1.00 0.00 C ATOM 662 CZ2 TRP A 48 3.669 0.244 8.476 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.487 -0.826 8.246 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.345 0.067 8.905 1.00 0.00 C ATOM 0 H TRP A 48 3.522 -3.730 1.883 1.00 0.00 H new ATOM 0 HA TRP A 48 2.227 -1.532 3.424 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.552 -3.365 4.906 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.183 -3.632 4.324 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.059 -1.687 5.045 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.163 -0.025 7.013 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.258 -2.238 6.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.330 0.932 8.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.475 -0.952 8.603 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.981 0.626 9.754 1.00 0.00 H new ATOM 675 N CYS A 49 4.381 -0.132 2.931 1.00 0.00 N ATOM 676 CA CYS A 49 5.513 0.656 2.520 1.00 0.00 C ATOM 677 C CYS A 49 5.776 1.572 3.674 1.00 0.00 C ATOM 678 O CYS A 49 4.852 1.923 4.408 1.00 0.00 O ATOM 679 CB CYS A 49 5.255 1.551 1.290 1.00 0.00 C ATOM 680 SG CYS A 49 5.365 0.645 -0.273 1.00 0.00 S ATOM 0 H CYS A 49 3.704 0.381 3.495 1.00 0.00 H new ATOM 0 HA CYS A 49 6.326 -0.018 2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.266 2.001 1.375 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.977 2.368 1.283 1.00 0.00 H new ATOM 685 N ASN A 50 7.047 1.995 3.833 1.00 0.00 N ATOM 686 CA ASN A 50 7.449 2.996 4.789 1.00 0.00 C ATOM 687 C ASN A 50 7.957 4.128 3.953 1.00 0.00 C ATOM 688 O ASN A 50 8.659 3.896 2.968 1.00 0.00 O ATOM 689 CB ASN A 50 8.646 2.600 5.707 1.00 0.00 C ATOM 690 CG ASN A 50 8.192 1.839 6.959 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.691 0.712 6.880 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.378 2.463 8.159 1.00 0.00 N ATOM 0 H ASN A 50 7.823 1.631 3.280 1.00 0.00 H new ATOM 0 HA ASN A 50 6.598 3.193 5.440 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.345 1.983 5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.185 3.499 6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.101 1.999 9.024 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.794 3.394 8.191 1.00 0.00 H new ATOM 699 N ALA A 51 7.642 5.373 4.383 1.00 0.00 N ATOM 700 CA ALA A 51 8.214 6.621 3.935 1.00 0.00 C ATOM 701 C ALA A 51 7.659 7.024 2.608 1.00 0.00 C ATOM 702 O ALA A 51 8.377 7.529 1.748 1.00 0.00 O ATOM 703 CB ALA A 51 9.754 6.686 3.913 1.00 0.00 C ATOM 0 H ALA A 51 6.932 5.518 5.100 1.00 0.00 H new ATOM 0 HA ALA A 51 7.915 7.336 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.072 7.667 3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.140 6.519 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.141 5.917 3.244 1.00 0.00 H new ATOM 709 N LEU A 52 6.331 6.858 2.438 1.00 0.00 N ATOM 710 CA LEU A 52 5.670 7.253 1.218 1.00 0.00 C ATOM 711 C LEU A 52 5.358 8.711 1.380 1.00 0.00 C ATOM 712 O LEU A 52 4.891 9.086 2.457 1.00 0.00 O ATOM 713 CB LEU A 52 4.325 6.541 0.944 1.00 0.00 C ATOM 714 CG LEU A 52 4.482 5.125 0.356 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.172 4.340 0.491 1.00 0.00 C ATOM 716 CD2 LEU A 52 4.922 5.152 -1.119 1.00 0.00 C ATOM 0 H LEU A 52 5.713 6.452 3.140 1.00 0.00 H new ATOM 0 HA LEU A 52 6.331 6.999 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.761 6.478 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.737 7.148 0.256 1.00 0.00 H new ATOM 0 HG LEU A 52 5.266 4.629 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.301 3.343 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.904 4.258 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.379 4.860 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.019 4.131 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.177 5.683 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.882 5.661 -1.203 1.00 0.00 H new ATOM 728 N PRO A 53 5.595 9.572 0.403 1.00 0.00 N ATOM 729 CA PRO A 53 5.326 10.986 0.542 1.00 0.00 C ATOM 730 C PRO A 53 3.845 11.247 0.423 1.00 0.00 C ATOM 731 O PRO A 53 3.065 10.344 0.123 1.00 0.00 O ATOM 732 CB PRO A 53 6.121 11.629 -0.603 1.00 0.00 C ATOM 733 CG PRO A 53 6.215 10.541 -1.682 1.00 0.00 C ATOM 734 CD PRO A 53 6.233 9.244 -0.874 1.00 0.00 C ATOM 0 HA PRO A 53 5.618 11.392 1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.618 12.518 -0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.111 11.941 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.366 10.578 -2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.115 10.651 -2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.692 8.451 -1.391 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.253 8.889 -0.724 1.00 0.00 H new ATOM 742 N ASP A 54 3.445 12.500 0.680 1.00 0.00 N ATOM 743 CA ASP A 54 2.069 12.884 0.873 1.00 0.00 C ATOM 744 C ASP A 54 1.266 12.905 -0.399 1.00 0.00 C ATOM 745 O ASP A 54 0.046 13.051 -0.360 1.00 0.00 O ATOM 746 CB ASP A 54 1.967 14.307 1.465 1.00 0.00 C ATOM 747 CG ASP A 54 2.557 14.362 2.878 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.803 14.232 3.015 1.00 0.00 O ATOM 749 OD2 ASP A 54 1.765 14.544 3.841 1.00 0.00 O ATOM 0 H ASP A 54 4.096 13.281 0.758 1.00 0.00 H new ATOM 0 HA ASP A 54 1.668 12.127 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.494 15.011 0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.923 14.619 1.491 1.00 0.00 H new ATOM 754 N ASN A 55 1.922 12.766 -1.567 1.00 0.00 N ATOM 755 CA ASN A 55 1.270 12.807 -2.857 1.00 0.00 C ATOM 756 C ASN A 55 0.868 11.419 -3.273 1.00 0.00 C ATOM 757 O ASN A 55 0.380 11.225 -4.385 1.00 0.00 O ATOM 758 CB ASN A 55 2.152 13.438 -3.976 1.00 0.00 C ATOM 759 CG ASN A 55 3.513 12.735 -4.096 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.297 12.775 -3.139 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.787 12.083 -5.260 1.00 0.00 N ATOM 0 H ASN A 55 2.930 12.621 -1.624 1.00 0.00 H new ATOM 0 HA ASN A 55 0.395 13.445 -2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.627 13.378 -4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.307 14.496 -3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.676 11.595 -5.374 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.104 12.082 -6.017 1.00 0.00 H new ATOM 768 N VAL A 56 1.058 10.421 -2.388 1.00 0.00 N ATOM 769 CA VAL A 56 0.650 9.066 -2.626 1.00 0.00 C ATOM 770 C VAL A 56 -0.578 8.958 -1.780 1.00 0.00 C ATOM 771 O VAL A 56 -0.656 9.593 -0.731 1.00 0.00 O ATOM 772 CB VAL A 56 1.702 8.042 -2.197 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.374 6.656 -2.794 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.086 8.566 -2.641 1.00 0.00 C ATOM 0 H VAL A 56 1.507 10.559 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 56 0.492 8.854 -3.684 1.00 0.00 H new ATOM 0 HB VAL A 56 1.707 7.916 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.131 5.937 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.395 6.330 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.364 6.722 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.856 7.853 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.099 8.688 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.281 9.527 -2.166 1.00 0.00 H new ATOM 784 N GLY A 57 -1.572 8.151 -2.197 1.00 0.00 N ATOM 785 CA GLY A 57 -2.752 7.919 -1.409 1.00 0.00 C ATOM 786 C GLY A 57 -2.629 6.473 -1.131 1.00 0.00 C ATOM 787 O GLY A 57 -2.120 5.726 -1.967 1.00 0.00 O ATOM 0 H GLY A 57 -1.561 7.654 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.761 8.515 -0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.665 8.157 -1.955 1.00 0.00 H new ATOM 791 N ILE A 58 -3.041 6.060 0.078 1.00 0.00 N ATOM 792 CA ILE A 58 -2.746 4.758 0.602 1.00 0.00 C ATOM 793 C ILE A 58 -4.061 4.263 1.116 1.00 0.00 C ATOM 794 O ILE A 58 -5.095 4.625 0.559 1.00 0.00 O ATOM 795 CB ILE A 58 -1.631 4.789 1.636 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.888 5.758 2.812 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.330 5.158 0.890 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.837 5.599 3.909 1.00 0.00 C ATOM 0 H ILE A 58 -3.592 6.641 0.709 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.345 4.077 -0.148 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.565 3.806 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.881 6.785 2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.879 5.574 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.498 5.191 1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.124 4.409 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.445 6.135 0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.049 6.296 4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.862 4.579 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.151 5.809 3.499 1.00 0.00 H new ATOM 810 N ILE A 59 -4.077 3.413 2.176 1.00 0.00 N ATOM 811 CA ILE A 59 -5.292 2.962 2.832 1.00 0.00 C ATOM 812 C ILE A 59 -5.828 4.204 3.476 1.00 0.00 C ATOM 813 O ILE A 59 -5.148 4.833 4.285 1.00 0.00 O ATOM 814 CB ILE A 59 -5.089 1.881 3.914 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.996 0.440 3.352 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.228 1.872 4.972 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.073 0.213 2.160 1.00 0.00 C ATOM 0 H ILE A 59 -3.227 3.028 2.589 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.948 2.490 2.101 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.138 2.159 4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.672 -0.217 4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.999 0.124 3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.034 1.092 5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.269 2.840 5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.181 1.677 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.104 -0.837 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.401 0.830 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.053 0.484 2.433 1.00 0.00 H new ATOM 829 N VAL A 60 -7.048 4.601 3.085 1.00 0.00 N ATOM 830 CA VAL A 60 -7.693 5.763 3.618 1.00 0.00 C ATOM 831 C VAL A 60 -8.498 5.279 4.781 1.00 0.00 C ATOM 832 O VAL A 60 -8.412 5.843 5.867 1.00 0.00 O ATOM 833 CB VAL A 60 -8.522 6.476 2.566 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.274 7.679 3.158 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.568 6.928 1.440 1.00 0.00 C ATOM 0 H VAL A 60 -7.601 4.107 2.384 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.975 6.516 3.943 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.279 5.797 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.857 8.165 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.942 7.337 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.557 8.389 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.137 7.445 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.816 7.602 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.077 6.056 1.007 1.00 0.00 H new