USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 497 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 29 TYR OH : rot -120:sc= -1.86 USER MOD Set 1.2: A 38 ASN : amide:sc= -6.95! C(o=-8.8!,f=-12!) USER MOD Set 2.1: A 17 THR OG1 : rot 159:sc= 0.893 USER MOD Set 2.2: A 51 GLN : amide:sc= 0.232 K(o=1.1,f=-7.2!) USER MOD Single : A 1 GLU N :NH3+ -113:sc= -0.548 (180deg=-2.84!) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0657 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= -1.38 (180deg=-2.24!) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.211 F(o=-1.4,f=-0.21) USER MOD Single : A 12 THR OG1 : rot 164:sc= -11.9! USER MOD Single : A 14 ASN : amide:sc= -0.515 X(o=-0.52,f=-0.11) USER MOD Single : A 15 SER OG : rot 160:sc= -0.538 USER MOD Single : A 18 ASN :FLIP amide:sc= 0.958 F(o=-0.41,f=0.96) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 154:sc= -2.22! USER MOD Single : A 31 ASN :FLIP amide:sc= 0.34 F(o=-0.99,f=0.34) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 39:sc= 0.149 USER MOD Single : A 66 ASN : amide:sc= 0.0109 K(o=0.011,f=-2!) USER MOD Single : A 70 HIS : no HD1:sc= -0.746 K(o=-0.75,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 13.129 -6.262 0.311 1.00 0.00 N ATOM 2 CA GLU A 1 11.734 -5.974 0.755 1.00 0.00 C ATOM 3 C GLU A 1 11.141 -7.207 1.450 1.00 0.00 C ATOM 4 O GLU A 1 10.493 -7.096 2.472 1.00 0.00 O ATOM 5 CB GLU A 1 10.879 -5.579 -0.456 1.00 0.00 C ATOM 6 CG GLU A 1 10.499 -6.819 -1.268 1.00 0.00 C ATOM 7 CD GLU A 1 11.741 -7.379 -1.964 1.00 0.00 C ATOM 8 OE1 GLU A 1 12.568 -6.587 -2.384 1.00 0.00 O ATOM 9 OE2 GLU A 1 11.845 -8.590 -2.062 1.00 0.00 O ATOM 0 H1 GLU A 1 13.795 -5.679 0.857 1.00 0.00 H new ATOM 0 H2 GLU A 1 13.342 -7.268 0.466 1.00 0.00 H new ATOM 0 H3 GLU A 1 13.224 -6.040 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 1 11.744 -5.147 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 1 9.978 -5.066 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 1 11.429 -4.879 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 1 10.065 -7.575 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 1 9.740 -6.563 -2.007 1.00 0.00 H new ATOM 18 N THR A 2 11.359 -8.381 0.918 1.00 0.00 N ATOM 19 CA THR A 2 10.809 -9.607 1.568 1.00 0.00 C ATOM 20 C THR A 2 9.295 -9.489 1.701 1.00 0.00 C ATOM 21 O THR A 2 8.799 -8.879 2.619 1.00 0.00 O ATOM 22 CB THR A 2 11.415 -9.756 2.961 1.00 0.00 C ATOM 23 OG1 THR A 2 12.718 -9.190 2.975 1.00 0.00 O ATOM 24 CG2 THR A 2 11.493 -11.237 3.334 1.00 0.00 C ATOM 0 H THR A 2 11.893 -8.544 0.064 1.00 0.00 H new ATOM 0 HA THR A 2 11.056 -10.475 0.957 1.00 0.00 H new ATOM 0 HB THR A 2 10.787 -9.237 3.685 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.106 -9.284 3.870 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.926 -11.339 4.329 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.491 -11.667 3.328 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.117 -11.762 2.611 1.00 0.00 H new ATOM 32 N VAL A 3 8.554 -10.078 0.805 1.00 0.00 N ATOM 33 CA VAL A 3 7.073 -9.998 0.902 1.00 0.00 C ATOM 34 C VAL A 3 6.642 -10.242 2.355 1.00 0.00 C ATOM 35 O VAL A 3 5.602 -9.792 2.788 1.00 0.00 O ATOM 36 CB VAL A 3 6.448 -11.055 -0.014 1.00 0.00 C ATOM 37 CG1 VAL A 3 4.947 -10.799 -0.151 1.00 0.00 C ATOM 38 CG2 VAL A 3 7.099 -10.984 -1.399 1.00 0.00 C ATOM 0 H VAL A 3 8.910 -10.610 0.011 1.00 0.00 H new ATOM 0 HA VAL A 3 6.736 -9.009 0.592 1.00 0.00 H new ATOM 0 HB VAL A 3 6.611 -12.042 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.507 -11.553 -0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.478 -10.851 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.784 -9.810 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.653 -11.737 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.938 -9.994 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.169 -11.171 -1.308 1.00 0.00 H new ATOM 48 N GLU A 4 7.437 -10.945 3.114 1.00 0.00 N ATOM 49 CA GLU A 4 7.070 -11.207 4.534 1.00 0.00 C ATOM 50 C GLU A 4 6.886 -9.877 5.275 1.00 0.00 C ATOM 51 O GLU A 4 5.841 -9.608 5.833 1.00 0.00 O ATOM 52 CB GLU A 4 8.182 -12.017 5.205 1.00 0.00 C ATOM 53 CG GLU A 4 7.565 -13.124 6.063 1.00 0.00 C ATOM 54 CD GLU A 4 7.512 -12.667 7.520 1.00 0.00 C ATOM 55 OE1 GLU A 4 8.536 -12.734 8.179 1.00 0.00 O ATOM 56 OE2 GLU A 4 6.448 -12.257 7.954 1.00 0.00 O ATOM 0 H GLU A 4 8.324 -11.349 2.813 1.00 0.00 H new ATOM 0 HA GLU A 4 6.137 -11.769 4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.836 -12.451 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.798 -11.365 5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.562 -13.358 5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.155 -14.037 5.978 1.00 0.00 H new ATOM 63 N SER A 5 7.892 -9.043 5.287 1.00 0.00 N ATOM 64 CA SER A 5 7.768 -7.735 5.996 1.00 0.00 C ATOM 65 C SER A 5 6.973 -6.758 5.132 1.00 0.00 C ATOM 66 O SER A 5 6.117 -6.044 5.614 1.00 0.00 O ATOM 67 CB SER A 5 9.160 -7.166 6.269 1.00 0.00 C ATOM 68 OG SER A 5 9.039 -5.987 7.054 1.00 0.00 O ATOM 0 H SER A 5 8.792 -9.210 4.838 1.00 0.00 H new ATOM 0 HA SER A 5 7.248 -7.884 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.771 -7.903 6.790 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.664 -6.941 5.329 1.00 0.00 H new ATOM 0 HG SER A 5 9.930 -5.620 7.232 1.00 0.00 H new ATOM 74 N CYS A 6 7.242 -6.722 3.857 1.00 0.00 N ATOM 75 CA CYS A 6 6.488 -5.795 2.972 1.00 0.00 C ATOM 76 C CYS A 6 4.995 -5.967 3.243 1.00 0.00 C ATOM 77 O CYS A 6 4.224 -5.033 3.159 1.00 0.00 O ATOM 78 CB CYS A 6 6.783 -6.127 1.508 1.00 0.00 C ATOM 79 SG CYS A 6 7.647 -4.737 0.740 1.00 0.00 S ATOM 0 H CYS A 6 7.948 -7.292 3.392 1.00 0.00 H new ATOM 0 HA CYS A 6 6.788 -4.766 3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.392 -7.029 1.444 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.854 -6.331 0.976 1.00 0.00 H new ATOM 84 N LEU A 7 4.585 -7.159 3.576 1.00 0.00 N ATOM 85 CA LEU A 7 3.148 -7.401 3.863 1.00 0.00 C ATOM 86 C LEU A 7 2.927 -7.318 5.370 1.00 0.00 C ATOM 87 O LEU A 7 1.841 -7.042 5.838 1.00 0.00 O ATOM 88 CB LEU A 7 2.757 -8.774 3.331 1.00 0.00 C ATOM 89 CG LEU A 7 3.089 -8.825 1.840 1.00 0.00 C ATOM 90 CD1 LEU A 7 2.555 -10.120 1.232 1.00 0.00 C ATOM 91 CD2 LEU A 7 2.450 -7.621 1.142 1.00 0.00 C ATOM 0 H LEU A 7 5.187 -7.978 3.661 1.00 0.00 H new ATOM 0 HA LEU A 7 2.527 -6.651 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.295 -9.556 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.694 -8.954 3.489 1.00 0.00 H new ATOM 0 HG LEU A 7 4.170 -8.794 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.795 -10.149 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.014 -10.973 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.473 -10.163 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.683 -7.651 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.369 -7.653 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.842 -6.700 1.573 1.00 0.00 H new ATOM 103 N ALA A 8 3.970 -7.506 6.130 1.00 0.00 N ATOM 104 CA ALA A 8 3.846 -7.382 7.609 1.00 0.00 C ATOM 105 C ALA A 8 3.693 -5.892 7.937 1.00 0.00 C ATOM 106 O ALA A 8 3.453 -5.507 9.065 1.00 0.00 O ATOM 107 CB ALA A 8 5.103 -7.932 8.284 1.00 0.00 C ATOM 0 H ALA A 8 4.903 -7.740 5.791 1.00 0.00 H new ATOM 0 HA ALA A 8 2.986 -7.947 7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.006 -7.838 9.366 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.228 -8.982 8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.973 -7.368 7.948 1.00 0.00 H new ATOM 113 N LYS A 9 3.830 -5.063 6.933 1.00 0.00 N ATOM 114 CA LYS A 9 3.695 -3.592 7.090 1.00 0.00 C ATOM 115 C LYS A 9 2.446 -3.268 7.927 1.00 0.00 C ATOM 116 O LYS A 9 1.748 -4.168 8.352 1.00 0.00 O ATOM 117 CB LYS A 9 3.556 -3.025 5.674 1.00 0.00 C ATOM 118 CG LYS A 9 4.919 -2.525 5.198 1.00 0.00 C ATOM 119 CD LYS A 9 4.841 -2.149 3.717 1.00 0.00 C ATOM 120 CE LYS A 9 6.024 -1.248 3.342 1.00 0.00 C ATOM 121 NZ LYS A 9 6.365 -0.352 4.483 1.00 0.00 N ATOM 0 H LYS A 9 4.037 -5.362 5.980 1.00 0.00 H new ATOM 0 HA LYS A 9 4.553 -3.159 7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.180 -3.792 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.833 -2.210 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.226 -1.661 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.673 -3.297 5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.851 -3.050 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.902 -1.634 3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.887 -1.859 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.774 -0.653 2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.035 0.376 4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.500 0.105 4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.798 -0.911 5.246 1.00 0.00 H new ATOM 135 N PRO A 10 2.175 -1.997 8.131 1.00 0.00 N ATOM 136 CA PRO A 10 0.994 -1.577 8.905 1.00 0.00 C ATOM 137 C PRO A 10 -0.279 -1.911 8.123 1.00 0.00 C ATOM 138 O PRO A 10 -1.381 -1.803 8.625 1.00 0.00 O ATOM 139 CB PRO A 10 1.197 -0.074 9.110 1.00 0.00 C ATOM 140 CG PRO A 10 2.187 0.383 8.016 1.00 0.00 C ATOM 141 CD PRO A 10 2.985 -0.870 7.606 1.00 0.00 C ATOM 0 HA PRO A 10 0.885 -2.085 9.863 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.251 0.461 9.026 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.593 0.133 10.104 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.656 0.803 7.162 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.851 1.161 8.393 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.102 -0.932 6.524 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.987 -0.864 8.036 1.00 0.00 H new ATOM 149 N HIS A 11 -0.115 -2.362 6.908 1.00 0.00 N ATOM 150 CA HIS A 11 -1.274 -2.775 6.073 1.00 0.00 C ATOM 151 C HIS A 11 -2.110 -1.596 5.596 1.00 0.00 C ATOM 152 O HIS A 11 -3.162 -1.332 6.135 1.00 0.00 O ATOM 153 CB HIS A 11 -2.182 -3.714 6.863 1.00 0.00 C ATOM 154 CG HIS A 11 -1.998 -5.123 6.367 1.00 0.00 C ATOM 155 ND1 HIS A 11 -2.879 -6.031 5.832 1.00 0.00 N flip ATOM 156 CD2 HIS A 11 -0.766 -5.759 6.385 1.00 0.00 C flip ATOM 157 CE1 HIS A 11 -2.208 -7.211 5.524 1.00 0.00 C flip ATOM 158 NE2 HIS A 11 -0.938 -6.993 5.877 1.00 0.00 N flip ATOM 0 H HIS A 11 0.792 -2.462 6.453 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.857 -3.275 5.198 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.946 -3.657 7.926 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.223 -3.410 6.751 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.163 -5.340 6.742 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -2.624 -8.109 5.093 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.190 -7.679 5.774 1.00 0.00 H new ATOM 166 N THR A 12 -1.692 -0.946 4.544 1.00 0.00 N ATOM 167 CA THR A 12 -2.511 0.155 3.959 1.00 0.00 C ATOM 168 C THR A 12 -2.284 1.508 4.635 1.00 0.00 C ATOM 169 O THR A 12 -1.916 2.462 3.981 1.00 0.00 O ATOM 170 CB THR A 12 -3.997 -0.270 4.008 1.00 0.00 C ATOM 171 OG1 THR A 12 -4.606 -0.075 2.748 1.00 0.00 O ATOM 172 CG2 THR A 12 -4.787 0.510 5.074 1.00 0.00 C ATOM 0 H THR A 12 -0.813 -1.131 4.061 1.00 0.00 H new ATOM 0 HA THR A 12 -2.197 0.308 2.927 1.00 0.00 H new ATOM 0 HB THR A 12 -4.016 -1.327 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.449 -0.573 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.825 0.178 5.072 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.350 0.329 6.056 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.746 1.576 4.850 1.00 0.00 H new ATOM 180 N GLU A 13 -2.525 1.633 5.905 1.00 0.00 N ATOM 181 CA GLU A 13 -2.342 2.967 6.535 1.00 0.00 C ATOM 182 C GLU A 13 -1.027 3.583 6.057 1.00 0.00 C ATOM 183 O GLU A 13 0.043 3.269 6.540 1.00 0.00 O ATOM 184 CB GLU A 13 -2.337 2.843 8.060 1.00 0.00 C ATOM 185 CG GLU A 13 -2.610 4.215 8.681 1.00 0.00 C ATOM 186 CD GLU A 13 -1.826 4.349 9.987 1.00 0.00 C ATOM 187 OE1 GLU A 13 -1.411 3.329 10.513 1.00 0.00 O ATOM 188 OE2 GLU A 13 -1.653 5.468 10.440 1.00 0.00 O ATOM 0 H GLU A 13 -2.835 0.886 6.526 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.171 3.612 6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.095 2.129 8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.375 2.461 8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.320 5.004 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.677 4.334 8.871 1.00 0.00 H new ATOM 195 N ASN A 14 -1.117 4.455 5.095 1.00 0.00 N ATOM 196 CA ASN A 14 0.093 5.112 4.536 1.00 0.00 C ATOM 197 C ASN A 14 -0.301 5.774 3.222 1.00 0.00 C ATOM 198 O ASN A 14 -1.453 6.104 3.007 1.00 0.00 O ATOM 199 CB ASN A 14 1.179 4.065 4.271 1.00 0.00 C ATOM 200 CG ASN A 14 2.420 4.394 5.101 1.00 0.00 C ATOM 201 OD1 ASN A 14 3.030 3.515 5.677 1.00 0.00 O ATOM 202 ND2 ASN A 14 2.822 5.633 5.189 1.00 0.00 N ATOM 0 H ASN A 14 -1.995 4.745 4.665 1.00 0.00 H new ATOM 0 HA ASN A 14 0.481 5.849 5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.811 3.071 4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.432 4.048 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.648 5.863 5.741 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.310 6.371 4.705 1.00 0.00 H new ATOM 209 N SER A 15 0.625 5.969 2.329 1.00 0.00 N ATOM 210 CA SER A 15 0.255 6.601 1.042 1.00 0.00 C ATOM 211 C SER A 15 1.472 6.704 0.137 1.00 0.00 C ATOM 212 O SER A 15 2.521 6.154 0.407 1.00 0.00 O ATOM 213 CB SER A 15 -0.290 7.999 1.310 1.00 0.00 C ATOM 214 OG SER A 15 0.632 8.712 2.125 1.00 0.00 O ATOM 0 H SER A 15 1.609 5.721 2.434 1.00 0.00 H new ATOM 0 HA SER A 15 -0.503 5.991 0.550 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.447 8.528 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.259 7.936 1.806 1.00 0.00 H new ATOM 0 HG SER A 15 0.467 9.674 2.041 1.00 0.00 H new ATOM 220 N PHE A 16 1.330 7.417 -0.939 1.00 0.00 N ATOM 221 CA PHE A 16 2.458 7.580 -1.883 1.00 0.00 C ATOM 222 C PHE A 16 2.011 8.512 -3.012 1.00 0.00 C ATOM 223 O PHE A 16 0.843 8.567 -3.350 1.00 0.00 O ATOM 224 CB PHE A 16 2.837 6.217 -2.462 1.00 0.00 C ATOM 225 CG PHE A 16 3.741 6.411 -3.656 1.00 0.00 C ATOM 226 CD1 PHE A 16 4.945 7.110 -3.517 1.00 0.00 C ATOM 227 CD2 PHE A 16 3.370 5.896 -4.904 1.00 0.00 C ATOM 228 CE1 PHE A 16 5.780 7.292 -4.625 1.00 0.00 C ATOM 229 CE2 PHE A 16 4.206 6.080 -6.012 1.00 0.00 C ATOM 230 CZ PHE A 16 5.412 6.777 -5.872 1.00 0.00 C ATOM 0 H PHE A 16 0.471 7.898 -1.206 1.00 0.00 H new ATOM 0 HA PHE A 16 3.323 8.001 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.341 5.616 -1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.940 5.673 -2.756 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.230 7.509 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.440 5.357 -5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.710 7.831 -4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.920 5.684 -6.975 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.058 6.917 -6.726 1.00 0.00 H new ATOM 240 N THR A 17 2.912 9.243 -3.605 1.00 0.00 N ATOM 241 CA THR A 17 2.496 10.153 -4.707 1.00 0.00 C ATOM 242 C THR A 17 2.955 9.573 -6.042 1.00 0.00 C ATOM 243 O THR A 17 3.835 8.743 -6.097 1.00 0.00 O ATOM 244 CB THR A 17 3.091 11.548 -4.499 1.00 0.00 C ATOM 245 OG1 THR A 17 3.355 12.140 -5.763 1.00 0.00 O ATOM 246 CG2 THR A 17 4.391 11.445 -3.699 1.00 0.00 C ATOM 0 H THR A 17 3.906 9.251 -3.378 1.00 0.00 H new ATOM 0 HA THR A 17 1.410 10.243 -4.709 1.00 0.00 H new ATOM 0 HB THR A 17 2.381 12.164 -3.947 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.404 13.114 -5.664 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.809 12.441 -3.555 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.186 10.993 -2.728 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.105 10.827 -4.243 1.00 0.00 H new ATOM 254 N ASN A 18 2.346 9.982 -7.122 1.00 0.00 N ATOM 255 CA ASN A 18 2.736 9.420 -8.443 1.00 0.00 C ATOM 256 C ASN A 18 2.169 8.001 -8.548 1.00 0.00 C ATOM 257 O ASN A 18 2.530 7.234 -9.419 1.00 0.00 O ATOM 258 CB ASN A 18 4.260 9.375 -8.555 1.00 0.00 C ATOM 259 CG ASN A 18 4.665 9.381 -10.030 1.00 0.00 C ATOM 260 OD1 ASN A 18 5.275 10.425 -10.522 1.00 0.00 O flip ATOM 261 ND2 ASN A 18 4.422 8.427 -10.743 1.00 0.00 N flip ATOM 0 H ASN A 18 1.600 10.677 -7.145 1.00 0.00 H new ATOM 0 HA ASN A 18 2.343 10.043 -9.247 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.698 10.232 -8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.645 8.481 -8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.945 7.611 -10.359 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.695 8.442 -11.726 1.00 0.00 H new ATOM 268 N VAL A 19 1.283 7.651 -7.652 1.00 0.00 N ATOM 269 CA VAL A 19 0.681 6.288 -7.668 1.00 0.00 C ATOM 270 C VAL A 19 0.202 5.930 -9.077 1.00 0.00 C ATOM 271 O VAL A 19 -0.172 6.787 -9.854 1.00 0.00 O ATOM 272 CB VAL A 19 -0.511 6.272 -6.714 1.00 0.00 C ATOM 273 CG1 VAL A 19 -1.060 4.851 -6.603 1.00 0.00 C ATOM 274 CG2 VAL A 19 -0.059 6.753 -5.333 1.00 0.00 C ATOM 0 H VAL A 19 0.949 8.258 -6.904 1.00 0.00 H new ATOM 0 HA VAL A 19 1.430 5.560 -7.358 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.291 6.931 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.911 4.842 -5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.379 4.506 -7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.282 4.189 -6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.907 6.743 -4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.720 6.092 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.332 7.767 -5.411 1.00 0.00 H new ATOM 284 N TRP A 20 0.195 4.665 -9.407 1.00 0.00 N ATOM 285 CA TRP A 20 -0.279 4.249 -10.755 1.00 0.00 C ATOM 286 C TRP A 20 -1.492 3.323 -10.592 1.00 0.00 C ATOM 287 O TRP A 20 -1.962 3.083 -9.497 1.00 0.00 O ATOM 288 CB TRP A 20 0.871 3.542 -11.516 1.00 0.00 C ATOM 289 CG TRP A 20 0.678 2.050 -11.550 1.00 0.00 C ATOM 290 CD1 TRP A 20 0.059 1.366 -12.544 1.00 0.00 C ATOM 291 CD2 TRP A 20 1.104 1.055 -10.577 1.00 0.00 C ATOM 292 NE1 TRP A 20 0.060 0.020 -12.230 1.00 0.00 N ATOM 293 CE2 TRP A 20 0.700 -0.224 -11.032 1.00 0.00 C ATOM 294 CE3 TRP A 20 1.791 1.136 -9.353 1.00 0.00 C ATOM 295 CZ2 TRP A 20 0.971 -1.379 -10.301 1.00 0.00 C ATOM 296 CZ3 TRP A 20 2.064 -0.026 -8.613 1.00 0.00 C ATOM 297 CH2 TRP A 20 1.655 -1.280 -9.088 1.00 0.00 C ATOM 0 H TRP A 20 0.498 3.904 -8.799 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.581 5.120 -11.337 1.00 0.00 H new ATOM 0 HB2 TRP A 20 0.924 3.926 -12.535 1.00 0.00 H new ATOM 0 HB3 TRP A 20 1.822 3.776 -11.038 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.366 1.802 -13.436 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -0.361 -0.704 -12.812 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.111 2.098 -8.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 0.654 -2.343 -10.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 2.592 0.047 -7.673 1.00 0.00 H new ATOM 0 HH2 TRP A 20 1.869 -2.170 -8.515 1.00 0.00 H new ATOM 308 N LYS A 21 -1.985 2.791 -11.672 1.00 0.00 N ATOM 309 CA LYS A 21 -3.149 1.867 -11.589 1.00 0.00 C ATOM 310 C LYS A 21 -2.992 0.792 -12.657 1.00 0.00 C ATOM 311 O LYS A 21 -3.011 1.071 -13.839 1.00 0.00 O ATOM 312 CB LYS A 21 -4.451 2.631 -11.830 1.00 0.00 C ATOM 313 CG LYS A 21 -5.626 1.664 -11.687 1.00 0.00 C ATOM 314 CD LYS A 21 -6.632 1.904 -12.815 1.00 0.00 C ATOM 315 CE LYS A 21 -6.152 1.199 -14.086 1.00 0.00 C ATOM 316 NZ LYS A 21 -7.330 0.796 -14.907 1.00 0.00 N ATOM 0 H LYS A 21 -1.631 2.957 -12.614 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.185 1.417 -10.597 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.546 3.448 -11.115 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.448 3.076 -12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.268 0.635 -11.719 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.109 1.804 -10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.614 1.529 -12.527 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.741 2.973 -12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.505 1.862 -14.660 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.559 0.322 -13.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.004 0.317 -15.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.931 0.149 -14.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.878 1.641 -15.166 1.00 0.00 H new ATOM 330 N ASP A 22 -2.818 -0.434 -12.258 1.00 0.00 N ATOM 331 CA ASP A 22 -2.642 -1.513 -13.255 1.00 0.00 C ATOM 332 C ASP A 22 -3.989 -2.148 -13.588 1.00 0.00 C ATOM 333 O ASP A 22 -4.723 -2.575 -12.711 1.00 0.00 O ATOM 334 CB ASP A 22 -1.714 -2.581 -12.681 1.00 0.00 C ATOM 335 CG ASP A 22 -0.643 -2.934 -13.714 1.00 0.00 C ATOM 336 OD1 ASP A 22 -1.001 -3.157 -14.859 1.00 0.00 O ATOM 337 OD2 ASP A 22 0.519 -2.975 -13.343 1.00 0.00 O ATOM 0 H ASP A 22 -2.791 -0.732 -11.283 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.212 -1.091 -14.163 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.246 -2.218 -11.766 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.286 -3.470 -12.416 1.00 0.00 H new ATOM 342 N ASP A 23 -4.303 -2.243 -14.852 1.00 0.00 N ATOM 343 CA ASP A 23 -5.575 -2.892 -15.254 1.00 0.00 C ATOM 344 C ASP A 23 -5.373 -4.400 -15.116 1.00 0.00 C ATOM 345 O ASP A 23 -6.311 -5.163 -15.000 1.00 0.00 O ATOM 346 CB ASP A 23 -5.905 -2.539 -16.707 1.00 0.00 C ATOM 347 CG ASP A 23 -4.933 -3.261 -17.642 1.00 0.00 C ATOM 348 OD1 ASP A 23 -3.744 -3.009 -17.538 1.00 0.00 O ATOM 349 OD2 ASP A 23 -5.394 -4.054 -18.447 1.00 0.00 O ATOM 0 H ASP A 23 -3.730 -1.897 -15.622 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.400 -2.552 -14.628 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.930 -2.827 -16.938 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.836 -1.461 -16.855 1.00 0.00 H new ATOM 354 N LYS A 24 -4.134 -4.820 -15.101 1.00 0.00 N ATOM 355 CA LYS A 24 -3.823 -6.261 -14.940 1.00 0.00 C ATOM 356 C LYS A 24 -3.965 -6.600 -13.464 1.00 0.00 C ATOM 357 O LYS A 24 -4.750 -7.443 -13.076 1.00 0.00 O ATOM 358 CB LYS A 24 -2.381 -6.511 -15.380 1.00 0.00 C ATOM 359 CG LYS A 24 -2.345 -6.772 -16.886 1.00 0.00 C ATOM 360 CD LYS A 24 -1.328 -7.874 -17.190 1.00 0.00 C ATOM 361 CE LYS A 24 -0.688 -7.614 -18.554 1.00 0.00 C ATOM 362 NZ LYS A 24 0.795 -7.635 -18.420 1.00 0.00 N ATOM 0 H LYS A 24 -3.319 -4.214 -15.195 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.494 -6.874 -15.541 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.760 -5.649 -15.135 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.968 -7.365 -14.842 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.333 -7.068 -17.238 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.077 -5.859 -17.418 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.561 -7.900 -16.416 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.818 -8.847 -17.186 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.010 -8.372 -19.269 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.015 -6.650 -18.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.230 -7.458 -19.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.094 -6.897 -17.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.099 -8.565 -18.067 1.00 0.00 H new ATOM 376 N THR A 25 -3.232 -5.914 -12.631 1.00 0.00 N ATOM 377 CA THR A 25 -3.350 -6.161 -11.173 1.00 0.00 C ATOM 378 C THR A 25 -4.806 -5.921 -10.803 1.00 0.00 C ATOM 379 O THR A 25 -5.346 -6.519 -9.894 1.00 0.00 O ATOM 380 CB THR A 25 -2.453 -5.187 -10.402 1.00 0.00 C ATOM 381 OG1 THR A 25 -2.976 -3.872 -10.515 1.00 0.00 O ATOM 382 CG2 THR A 25 -1.037 -5.228 -10.980 1.00 0.00 C ATOM 0 H THR A 25 -2.559 -5.196 -12.899 1.00 0.00 H new ATOM 0 HA THR A 25 -3.041 -7.176 -10.923 1.00 0.00 H new ATOM 0 HB THR A 25 -2.422 -5.476 -9.351 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.696 -3.341 -9.740 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.400 -4.535 -10.431 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.637 -6.238 -10.890 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.065 -4.941 -12.031 1.00 0.00 H new ATOM 390 N LEU A 26 -5.446 -5.048 -11.533 1.00 0.00 N ATOM 391 CA LEU A 26 -6.879 -4.756 -11.268 1.00 0.00 C ATOM 392 C LEU A 26 -7.014 -3.990 -9.958 1.00 0.00 C ATOM 393 O LEU A 26 -7.672 -4.438 -9.039 1.00 0.00 O ATOM 394 CB LEU A 26 -7.643 -6.075 -11.159 1.00 0.00 C ATOM 395 CG LEU A 26 -8.700 -6.145 -12.262 1.00 0.00 C ATOM 396 CD1 LEU A 26 -9.609 -7.353 -12.024 1.00 0.00 C ATOM 397 CD2 LEU A 26 -9.538 -4.863 -12.243 1.00 0.00 C ATOM 0 H LEU A 26 -5.034 -4.523 -12.305 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.285 -4.154 -12.081 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.954 -6.915 -11.247 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.117 -6.153 -10.181 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.210 -6.247 -13.230 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.362 -7.402 -12.810 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.012 -8.265 -12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.101 -7.253 -11.056 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.292 -4.910 -13.028 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.028 -4.763 -11.274 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.891 -4.003 -12.413 1.00 0.00 H new ATOM 409 N ASP A 27 -6.403 -2.843 -9.848 1.00 0.00 N ATOM 410 CA ASP A 27 -6.523 -2.089 -8.570 1.00 0.00 C ATOM 411 C ASP A 27 -5.528 -0.931 -8.526 1.00 0.00 C ATOM 412 O ASP A 27 -4.687 -0.784 -9.390 1.00 0.00 O ATOM 413 CB ASP A 27 -6.214 -3.040 -7.418 1.00 0.00 C ATOM 414 CG ASP A 27 -7.395 -3.072 -6.444 1.00 0.00 C ATOM 415 OD1 ASP A 27 -7.566 -2.105 -5.719 1.00 0.00 O ATOM 416 OD2 ASP A 27 -8.108 -4.061 -6.440 1.00 0.00 O ATOM 0 H ASP A 27 -5.836 -2.402 -10.573 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.533 -1.687 -8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.020 -4.041 -7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.311 -2.717 -6.899 1.00 0.00 H new ATOM 421 N ARG A 28 -5.602 -0.121 -7.499 1.00 0.00 N ATOM 422 CA ARG A 28 -4.645 1.006 -7.375 1.00 0.00 C ATOM 423 C ARG A 28 -3.398 0.481 -6.671 1.00 0.00 C ATOM 424 O ARG A 28 -3.474 -0.419 -5.858 1.00 0.00 O ATOM 425 CB ARG A 28 -5.274 2.124 -6.542 1.00 0.00 C ATOM 426 CG ARG A 28 -4.420 3.388 -6.654 1.00 0.00 C ATOM 427 CD ARG A 28 -4.644 4.033 -8.020 1.00 0.00 C ATOM 428 NE ARG A 28 -6.000 4.651 -8.061 1.00 0.00 N ATOM 429 CZ ARG A 28 -6.756 4.501 -9.114 1.00 0.00 C ATOM 430 NH1 ARG A 28 -7.244 3.327 -9.406 1.00 0.00 N ATOM 431 NH2 ARG A 28 -7.027 5.529 -9.874 1.00 0.00 N ATOM 0 H ARG A 28 -6.285 -0.196 -6.745 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.391 1.403 -8.358 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.287 2.325 -6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.351 1.816 -5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.682 4.089 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.366 3.141 -6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.882 4.790 -8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.549 3.285 -8.807 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.337 5.192 -7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.035 2.525 -8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.835 3.211 -10.229 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.648 6.447 -9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.618 5.413 -10.697 1.00 0.00 H new ATOM 445 N TYR A 29 -2.250 1.012 -6.972 1.00 0.00 N ATOM 446 CA TYR A 29 -1.022 0.504 -6.307 1.00 0.00 C ATOM 447 C TYR A 29 0.011 1.620 -6.195 1.00 0.00 C ATOM 448 O TYR A 29 0.110 2.481 -7.046 1.00 0.00 O ATOM 449 CB TYR A 29 -0.443 -0.650 -7.128 1.00 0.00 C ATOM 450 CG TYR A 29 -1.413 -1.806 -7.128 1.00 0.00 C ATOM 451 CD1 TYR A 29 -2.409 -1.884 -8.109 1.00 0.00 C ATOM 452 CD2 TYR A 29 -1.315 -2.805 -6.150 1.00 0.00 C ATOM 453 CE1 TYR A 29 -3.307 -2.957 -8.112 1.00 0.00 C ATOM 454 CE2 TYR A 29 -2.215 -3.879 -6.154 1.00 0.00 C ATOM 455 CZ TYR A 29 -3.210 -3.955 -7.136 1.00 0.00 C ATOM 456 OH TYR A 29 -4.095 -5.014 -7.141 1.00 0.00 O ATOM 0 H TYR A 29 -2.108 1.768 -7.642 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.274 0.153 -5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.251 -0.323 -8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.513 -0.964 -6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.484 -1.115 -8.864 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.546 -2.747 -5.394 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.076 -3.015 -8.868 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.141 -4.648 -5.400 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.593 -5.028 -6.297 1.00 0.00 H new ATOM 466 N ALA A 30 0.784 1.604 -5.146 1.00 0.00 N ATOM 467 CA ALA A 30 1.818 2.657 -4.968 1.00 0.00 C ATOM 468 C ALA A 30 3.184 1.992 -4.799 1.00 0.00 C ATOM 469 O ALA A 30 3.500 1.453 -3.756 1.00 0.00 O ATOM 470 CB ALA A 30 1.492 3.487 -3.726 1.00 0.00 C ATOM 0 H ALA A 30 0.743 0.906 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 30 1.835 3.310 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.250 4.259 -3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.515 3.955 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.478 2.840 -2.849 1.00 0.00 H new ATOM 476 N ASN A 31 3.995 2.020 -5.821 1.00 0.00 N ATOM 477 CA ASN A 31 5.340 1.385 -5.723 1.00 0.00 C ATOM 478 C ASN A 31 6.170 2.103 -4.658 1.00 0.00 C ATOM 479 O ASN A 31 6.709 3.167 -4.889 1.00 0.00 O ATOM 480 CB ASN A 31 6.057 1.474 -7.074 1.00 0.00 C ATOM 481 CG ASN A 31 5.721 2.802 -7.756 1.00 0.00 C ATOM 482 OD1 ASN A 31 5.038 2.793 -8.868 1.00 0.00 O flip ATOM 483 ND2 ASN A 31 6.081 3.857 -7.273 1.00 0.00 N flip ATOM 0 H ASN A 31 3.785 2.455 -6.719 1.00 0.00 H new ATOM 0 HA ASN A 31 5.221 0.337 -5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.134 1.392 -6.930 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.756 0.642 -7.711 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.615 3.864 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.849 4.736 -7.737 1.00 0.00 H new ATOM 490 N TYR A 32 6.278 1.524 -3.495 1.00 0.00 N ATOM 491 CA TYR A 32 7.075 2.165 -2.412 1.00 0.00 C ATOM 492 C TYR A 32 8.534 1.722 -2.527 1.00 0.00 C ATOM 493 O TYR A 32 9.126 1.260 -1.570 1.00 0.00 O ATOM 494 CB TYR A 32 6.517 1.741 -1.054 1.00 0.00 C ATOM 495 CG TYR A 32 7.383 2.298 0.051 1.00 0.00 C ATOM 496 CD1 TYR A 32 7.387 3.674 0.313 1.00 0.00 C ATOM 497 CD2 TYR A 32 8.181 1.438 0.815 1.00 0.00 C ATOM 498 CE1 TYR A 32 8.189 4.188 1.339 1.00 0.00 C ATOM 499 CE2 TYR A 32 8.983 1.953 1.841 1.00 0.00 C ATOM 500 CZ TYR A 32 8.986 3.328 2.104 1.00 0.00 C ATOM 501 OH TYR A 32 9.775 3.837 3.115 1.00 0.00 O ATOM 0 H TYR A 32 5.848 0.633 -3.247 1.00 0.00 H new ATOM 0 HA TYR A 32 7.016 3.249 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.494 2.100 -0.943 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.482 0.654 -0.988 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.772 4.338 -0.276 1.00 0.00 H new ATOM 0 HD2 TYR A 32 8.178 0.377 0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.193 5.249 1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.599 1.289 2.429 1.00 0.00 H new ATOM 0 HH TYR A 32 10.264 3.106 3.548 1.00 0.00 H new ATOM 511 N GLU A 33 9.113 1.865 -3.691 1.00 0.00 N ATOM 512 CA GLU A 33 10.538 1.464 -3.892 1.00 0.00 C ATOM 513 C GLU A 33 10.856 0.219 -3.062 1.00 0.00 C ATOM 514 O GLU A 33 11.287 0.311 -1.930 1.00 0.00 O ATOM 515 CB GLU A 33 11.451 2.609 -3.456 1.00 0.00 C ATOM 516 CG GLU A 33 11.503 3.670 -4.556 1.00 0.00 C ATOM 517 CD GLU A 33 11.869 5.022 -3.942 1.00 0.00 C ATOM 518 OE1 GLU A 33 12.371 5.028 -2.830 1.00 0.00 O ATOM 519 OE2 GLU A 33 11.640 6.029 -4.592 1.00 0.00 O ATOM 0 H GLU A 33 8.655 2.246 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 33 10.701 1.241 -4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.082 3.049 -2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.453 2.231 -3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.238 3.391 -5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.538 3.736 -5.059 1.00 0.00 H new ATOM 526 N GLY A 34 10.645 -0.942 -3.611 1.00 0.00 N ATOM 527 CA GLY A 34 10.933 -2.186 -2.847 1.00 0.00 C ATOM 528 C GLY A 34 9.620 -2.794 -2.352 1.00 0.00 C ATOM 529 O GLY A 34 9.482 -3.996 -2.253 1.00 0.00 O ATOM 0 H GLY A 34 10.286 -1.084 -4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.462 -2.900 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.585 -1.964 -2.002 1.00 0.00 H new ATOM 533 N CYS A 35 8.654 -1.973 -2.036 1.00 0.00 N ATOM 534 CA CYS A 35 7.354 -2.512 -1.547 1.00 0.00 C ATOM 535 C CYS A 35 6.238 -2.135 -2.523 1.00 0.00 C ATOM 536 O CYS A 35 6.425 -1.333 -3.414 1.00 0.00 O ATOM 537 CB CYS A 35 7.047 -1.917 -0.171 1.00 0.00 C ATOM 538 SG CYS A 35 6.347 -3.199 0.898 1.00 0.00 S ATOM 0 H CYS A 35 8.709 -0.956 -2.095 1.00 0.00 H new ATOM 0 HA CYS A 35 7.417 -3.598 -1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.957 -1.514 0.274 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.346 -1.088 -0.270 1.00 0.00 H new ATOM 543 N LEU A 36 5.074 -2.706 -2.357 1.00 0.00 N ATOM 544 CA LEU A 36 3.945 -2.372 -3.271 1.00 0.00 C ATOM 545 C LEU A 36 2.640 -2.325 -2.491 1.00 0.00 C ATOM 546 O LEU A 36 2.106 -3.349 -2.100 1.00 0.00 O ATOM 547 CB LEU A 36 3.803 -3.434 -4.358 1.00 0.00 C ATOM 548 CG LEU A 36 2.608 -3.073 -5.241 1.00 0.00 C ATOM 549 CD1 LEU A 36 3.026 -1.987 -6.230 1.00 0.00 C ATOM 550 CD2 LEU A 36 2.132 -4.314 -6.003 1.00 0.00 C ATOM 0 H LEU A 36 4.858 -3.387 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 36 4.156 -1.403 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.713 -3.487 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.659 -4.417 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 36 1.792 -2.706 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.178 -1.725 -6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.357 -1.104 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.842 -2.355 -6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.280 -4.051 -6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.942 -4.690 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.835 -5.085 -5.293 1.00 0.00 H new ATOM 562 N TRP A 37 2.103 -1.154 -2.288 1.00 0.00 N ATOM 563 CA TRP A 37 0.813 -1.055 -1.561 1.00 0.00 C ATOM 564 C TRP A 37 -0.327 -1.119 -2.579 1.00 0.00 C ATOM 565 O TRP A 37 -0.100 -1.200 -3.770 1.00 0.00 O ATOM 566 CB TRP A 37 0.739 0.264 -0.793 1.00 0.00 C ATOM 567 CG TRP A 37 1.967 0.449 0.034 1.00 0.00 C ATOM 568 CD1 TRP A 37 3.206 0.708 -0.440 1.00 0.00 C ATOM 569 CD2 TRP A 37 2.083 0.395 1.481 1.00 0.00 C ATOM 570 NE1 TRP A 37 4.077 0.818 0.631 1.00 0.00 N ATOM 571 CE2 TRP A 37 3.429 0.633 1.837 1.00 0.00 C ATOM 572 CE3 TRP A 37 1.155 0.164 2.511 1.00 0.00 C ATOM 573 CZ2 TRP A 37 3.839 0.643 3.170 1.00 0.00 C ATOM 574 CZ3 TRP A 37 1.560 0.169 3.851 1.00 0.00 C ATOM 575 CH2 TRP A 37 2.902 0.410 4.183 1.00 0.00 C ATOM 0 H TRP A 37 2.502 -0.266 -2.594 1.00 0.00 H new ATOM 0 HA TRP A 37 0.731 -1.877 -0.850 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.634 1.094 -1.491 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.144 0.272 -0.153 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.473 0.812 -1.481 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.074 1.012 0.541 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.119 -0.019 2.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.873 0.829 3.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.837 -0.013 4.632 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.211 0.416 5.218 1.00 0.00 H new ATOM 586 N ASN A 38 -1.550 -1.092 -2.126 1.00 0.00 N ATOM 587 CA ASN A 38 -2.694 -1.166 -3.077 1.00 0.00 C ATOM 588 C ASN A 38 -3.865 -0.334 -2.551 1.00 0.00 C ATOM 589 O ASN A 38 -4.371 -0.564 -1.469 1.00 0.00 O ATOM 590 CB ASN A 38 -3.124 -2.628 -3.223 1.00 0.00 C ATOM 591 CG ASN A 38 -4.504 -2.710 -3.874 1.00 0.00 C ATOM 592 OD1 ASN A 38 -4.616 -3.046 -5.031 1.00 0.00 O ATOM 593 ND2 ASN A 38 -5.565 -2.423 -3.172 1.00 0.00 N ATOM 0 H ASN A 38 -1.806 -1.022 -1.141 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.390 -0.771 -4.046 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.396 -3.170 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.146 -3.107 -2.244 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.490 -2.482 -3.598 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.470 -2.140 -2.197 1.00 0.00 H new ATOM 600 N ALA A 39 -4.304 0.627 -3.320 1.00 0.00 N ATOM 601 CA ALA A 39 -5.445 1.474 -2.881 1.00 0.00 C ATOM 602 C ALA A 39 -6.754 0.870 -3.398 1.00 0.00 C ATOM 603 O ALA A 39 -6.845 0.426 -4.532 1.00 0.00 O ATOM 604 CB ALA A 39 -5.278 2.888 -3.441 1.00 0.00 C ATOM 0 H ALA A 39 -3.919 0.860 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.469 1.517 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.115 3.508 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.346 3.317 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.255 2.848 -4.530 1.00 0.00 H new ATOM 610 N THR A 40 -7.763 0.849 -2.568 1.00 0.00 N ATOM 611 CA THR A 40 -9.074 0.277 -2.986 1.00 0.00 C ATOM 612 C THR A 40 -10.179 1.300 -2.714 1.00 0.00 C ATOM 613 O THR A 40 -10.070 2.120 -1.824 1.00 0.00 O ATOM 614 CB THR A 40 -9.346 -0.996 -2.179 1.00 0.00 C ATOM 615 OG1 THR A 40 -10.674 -1.435 -2.425 1.00 0.00 O ATOM 616 CG2 THR A 40 -9.171 -0.704 -0.687 1.00 0.00 C ATOM 0 H THR A 40 -7.734 1.206 -1.613 1.00 0.00 H new ATOM 0 HA THR A 40 -9.052 0.038 -4.049 1.00 0.00 H new ATOM 0 HB THR A 40 -8.644 -1.774 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.849 -2.251 -1.911 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.365 -1.611 -0.114 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.152 -0.367 -0.499 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.872 0.074 -0.384 1.00 0.00 H new ATOM 624 N GLY A 41 -11.241 1.263 -3.471 1.00 0.00 N ATOM 625 CA GLY A 41 -12.347 2.238 -3.248 1.00 0.00 C ATOM 626 C GLY A 41 -11.878 3.640 -3.639 1.00 0.00 C ATOM 627 O GLY A 41 -10.929 3.803 -4.378 1.00 0.00 O ATOM 0 H GLY A 41 -11.391 0.602 -4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -13.219 1.957 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.653 2.224 -2.202 1.00 0.00 H new ATOM 631 N VAL A 42 -12.537 4.655 -3.149 1.00 0.00 N ATOM 632 CA VAL A 42 -12.124 6.044 -3.495 1.00 0.00 C ATOM 633 C VAL A 42 -11.223 6.596 -2.391 1.00 0.00 C ATOM 634 O VAL A 42 -11.581 6.609 -1.231 1.00 0.00 O ATOM 635 CB VAL A 42 -13.363 6.929 -3.633 1.00 0.00 C ATOM 636 CG1 VAL A 42 -12.932 8.365 -3.941 1.00 0.00 C ATOM 637 CG2 VAL A 42 -14.235 6.406 -4.774 1.00 0.00 C ATOM 0 H VAL A 42 -13.341 4.582 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.580 6.036 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.929 6.910 -2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.815 8.997 -4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.307 8.739 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.367 8.383 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.119 7.036 -4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -13.668 6.427 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.541 5.382 -4.558 1.00 0.00 H new ATOM 647 N VAL A 43 -10.052 7.049 -2.744 1.00 0.00 N ATOM 648 CA VAL A 43 -9.121 7.596 -1.720 1.00 0.00 C ATOM 649 C VAL A 43 -8.892 9.086 -2.003 1.00 0.00 C ATOM 650 O VAL A 43 -9.590 9.684 -2.797 1.00 0.00 O ATOM 651 CB VAL A 43 -7.788 6.842 -1.784 1.00 0.00 C ATOM 652 CG1 VAL A 43 -7.270 6.606 -0.367 1.00 0.00 C ATOM 653 CG2 VAL A 43 -7.979 5.488 -2.479 1.00 0.00 C ATOM 0 H VAL A 43 -9.699 7.064 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.549 7.474 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.072 7.438 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.322 6.070 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.122 7.564 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.996 6.015 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.025 4.962 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.700 4.891 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.347 5.648 -3.492 1.00 0.00 H new ATOM 663 N VAL A 44 -7.922 9.695 -1.370 1.00 0.00 N ATOM 664 CA VAL A 44 -7.676 11.146 -1.628 1.00 0.00 C ATOM 665 C VAL A 44 -6.588 11.302 -2.684 1.00 0.00 C ATOM 666 O VAL A 44 -5.427 11.480 -2.375 1.00 0.00 O ATOM 667 CB VAL A 44 -7.214 11.837 -0.352 1.00 0.00 C ATOM 668 CG1 VAL A 44 -8.273 11.666 0.737 1.00 0.00 C ATOM 669 CG2 VAL A 44 -5.895 11.222 0.104 1.00 0.00 C ATOM 0 H VAL A 44 -7.297 9.257 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.605 11.598 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.070 12.901 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.940 12.161 1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.211 12.110 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.424 10.605 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.561 11.714 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.037 10.158 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.144 11.354 -0.675 1.00 0.00 H new ATOM 679 N CYS A 45 -6.941 11.230 -3.931 1.00 0.00 N ATOM 680 CA CYS A 45 -5.906 11.371 -4.986 1.00 0.00 C ATOM 681 C CYS A 45 -6.080 12.720 -5.688 1.00 0.00 C ATOM 682 O CYS A 45 -7.047 12.953 -6.385 1.00 0.00 O ATOM 683 CB CYS A 45 -6.047 10.227 -5.991 1.00 0.00 C ATOM 684 SG CYS A 45 -6.444 8.699 -5.101 1.00 0.00 S ATOM 0 H CYS A 45 -7.893 11.081 -4.265 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.912 11.329 -4.540 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.831 10.456 -6.713 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.121 10.105 -6.553 1.00 0.00 H new ATOM 689 N THR A 46 -5.153 13.615 -5.493 1.00 0.00 N ATOM 690 CA THR A 46 -5.261 14.958 -6.136 1.00 0.00 C ATOM 691 C THR A 46 -4.216 15.088 -7.249 1.00 0.00 C ATOM 692 O THR A 46 -3.370 14.231 -7.430 1.00 0.00 O ATOM 693 CB THR A 46 -5.024 16.046 -5.085 1.00 0.00 C ATOM 694 OG1 THR A 46 -4.921 17.308 -5.728 1.00 0.00 O ATOM 695 CG2 THR A 46 -3.731 15.752 -4.321 1.00 0.00 C ATOM 0 H THR A 46 -4.323 13.476 -4.916 1.00 0.00 H new ATOM 0 HA THR A 46 -6.257 15.072 -6.564 1.00 0.00 H new ATOM 0 HB THR A 46 -5.859 16.061 -4.384 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.771 18.006 -5.057 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.565 16.528 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.813 14.784 -3.827 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.893 15.734 -5.018 1.00 0.00 H new ATOM 703 N GLY A 47 -4.275 16.159 -7.998 1.00 0.00 N ATOM 704 CA GLY A 47 -3.295 16.355 -9.102 1.00 0.00 C ATOM 705 C GLY A 47 -3.447 15.225 -10.114 1.00 0.00 C ATOM 706 O GLY A 47 -2.565 14.411 -10.283 1.00 0.00 O ATOM 0 H GLY A 47 -4.961 16.906 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.462 17.317 -9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.280 16.370 -8.705 1.00 0.00 H new ATOM 710 N ASP A 48 -4.566 15.154 -10.780 1.00 0.00 N ATOM 711 CA ASP A 48 -4.768 14.053 -11.759 1.00 0.00 C ATOM 712 C ASP A 48 -4.842 12.738 -10.988 1.00 0.00 C ATOM 713 O ASP A 48 -4.706 11.666 -11.545 1.00 0.00 O ATOM 714 CB ASP A 48 -3.587 14.002 -12.728 1.00 0.00 C ATOM 715 CG ASP A 48 -3.272 15.412 -13.231 1.00 0.00 C ATOM 716 OD1 ASP A 48 -4.090 16.292 -13.019 1.00 0.00 O ATOM 717 OD2 ASP A 48 -2.218 15.588 -13.820 1.00 0.00 O ATOM 0 H ASP A 48 -5.344 15.807 -10.689 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.685 14.218 -12.324 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.714 13.579 -12.231 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.822 13.349 -13.569 1.00 0.00 H new ATOM 722 N GLU A 49 -5.046 12.821 -9.701 1.00 0.00 N ATOM 723 CA GLU A 49 -5.119 11.594 -8.868 1.00 0.00 C ATOM 724 C GLU A 49 -3.769 10.875 -8.902 1.00 0.00 C ATOM 725 O GLU A 49 -3.645 9.744 -8.477 1.00 0.00 O ATOM 726 CB GLU A 49 -6.222 10.672 -9.396 1.00 0.00 C ATOM 727 CG GLU A 49 -7.579 11.197 -8.926 1.00 0.00 C ATOM 728 CD GLU A 49 -8.569 10.036 -8.819 1.00 0.00 C ATOM 729 OE1 GLU A 49 -8.355 9.178 -7.979 1.00 0.00 O ATOM 730 OE2 GLU A 49 -9.523 10.025 -9.579 1.00 0.00 O ATOM 0 H GLU A 49 -5.166 13.696 -9.190 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.353 11.866 -7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.190 10.633 -10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.067 9.655 -9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.475 11.690 -7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.953 11.944 -9.626 1.00 0.00 H new ATOM 737 N THR A 50 -2.752 11.533 -9.391 1.00 0.00 N ATOM 738 CA THR A 50 -1.404 10.901 -9.433 1.00 0.00 C ATOM 739 C THR A 50 -0.869 10.819 -8.005 1.00 0.00 C ATOM 740 O THR A 50 -0.262 9.842 -7.613 1.00 0.00 O ATOM 741 CB THR A 50 -0.461 11.747 -10.298 1.00 0.00 C ATOM 742 OG1 THR A 50 0.681 10.974 -10.644 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.019 12.992 -9.523 1.00 0.00 C ATOM 0 H THR A 50 -2.798 12.482 -9.763 1.00 0.00 H new ATOM 0 HA THR A 50 -1.469 9.903 -9.865 1.00 0.00 H new ATOM 0 HB THR A 50 -0.984 12.056 -11.203 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.284 11.512 -11.198 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.650 13.588 -10.143 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.894 13.586 -9.259 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.502 12.689 -8.614 1.00 0.00 H new ATOM 751 N GLN A 51 -1.124 11.825 -7.214 1.00 0.00 N ATOM 752 CA GLN A 51 -0.670 11.788 -5.803 1.00 0.00 C ATOM 753 C GLN A 51 -1.867 11.374 -4.973 1.00 0.00 C ATOM 754 O GLN A 51 -2.974 11.807 -5.225 1.00 0.00 O ATOM 755 CB GLN A 51 -0.190 13.168 -5.357 1.00 0.00 C ATOM 756 CG GLN A 51 0.732 13.763 -6.423 1.00 0.00 C ATOM 757 CD GLN A 51 1.704 14.745 -5.767 1.00 0.00 C ATOM 758 OE1 GLN A 51 2.640 14.342 -5.105 1.00 0.00 O ATOM 759 NE2 GLN A 51 1.520 16.029 -5.921 1.00 0.00 N ATOM 0 H GLN A 51 -1.627 12.669 -7.487 1.00 0.00 H new ATOM 0 HA GLN A 51 0.161 11.093 -5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.044 13.825 -5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.339 13.090 -4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.284 12.969 -6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.143 14.273 -7.185 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.735 16.369 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.162 16.692 -5.486 1.00 0.00 H new ATOM 768 N CYS A 52 -1.694 10.523 -4.015 1.00 0.00 N ATOM 769 CA CYS A 52 -2.890 10.101 -3.247 1.00 0.00 C ATOM 770 C CYS A 52 -2.502 9.494 -1.897 1.00 0.00 C ATOM 771 O CYS A 52 -1.388 9.054 -1.693 1.00 0.00 O ATOM 772 CB CYS A 52 -3.636 9.069 -4.090 1.00 0.00 C ATOM 773 SG CYS A 52 -5.292 8.777 -3.438 1.00 0.00 S ATOM 0 H CYS A 52 -0.805 10.109 -3.733 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.519 10.967 -3.041 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.703 9.416 -5.121 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.077 8.133 -4.105 1.00 0.00 H new ATOM 778 N TYR A 53 -3.431 9.465 -0.977 1.00 0.00 N ATOM 779 CA TYR A 53 -3.146 8.883 0.365 1.00 0.00 C ATOM 780 C TYR A 53 -4.390 8.139 0.866 1.00 0.00 C ATOM 781 O TYR A 53 -5.467 8.267 0.320 1.00 0.00 O ATOM 782 CB TYR A 53 -2.763 10.008 1.348 1.00 0.00 C ATOM 783 CG TYR A 53 -3.102 9.606 2.771 1.00 0.00 C ATOM 784 CD1 TYR A 53 -4.420 9.712 3.228 1.00 0.00 C ATOM 785 CD2 TYR A 53 -2.102 9.122 3.626 1.00 0.00 C ATOM 786 CE1 TYR A 53 -4.741 9.335 4.538 1.00 0.00 C ATOM 787 CE2 TYR A 53 -2.423 8.747 4.937 1.00 0.00 C ATOM 788 CZ TYR A 53 -3.743 8.852 5.393 1.00 0.00 C ATOM 789 OH TYR A 53 -4.060 8.480 6.683 1.00 0.00 O ATOM 0 H TYR A 53 -4.379 9.822 -1.100 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.314 8.182 0.295 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.697 10.222 1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.293 10.924 1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.191 10.085 2.570 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.084 9.038 3.274 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.759 9.417 4.889 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.652 8.377 5.596 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.252 8.167 7.141 1.00 0.00 H new ATOM 799 N GLY A 54 -4.243 7.361 1.903 1.00 0.00 N ATOM 800 CA GLY A 54 -5.407 6.606 2.444 1.00 0.00 C ATOM 801 C GLY A 54 -4.961 5.185 2.783 1.00 0.00 C ATOM 802 O GLY A 54 -3.871 4.971 3.272 1.00 0.00 O ATOM 0 H GLY A 54 -3.364 7.216 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.797 7.101 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.214 6.583 1.712 1.00 0.00 H new ATOM 806 N THR A 55 -5.785 4.208 2.520 1.00 0.00 N ATOM 807 CA THR A 55 -5.382 2.809 2.826 1.00 0.00 C ATOM 808 C THR A 55 -4.834 2.153 1.565 1.00 0.00 C ATOM 809 O THR A 55 -5.501 2.047 0.554 1.00 0.00 O ATOM 810 CB THR A 55 -6.584 2.003 3.318 1.00 0.00 C ATOM 811 OG1 THR A 55 -7.704 2.266 2.484 1.00 0.00 O ATOM 812 CG2 THR A 55 -6.913 2.398 4.754 1.00 0.00 C ATOM 0 H THR A 55 -6.712 4.317 2.110 1.00 0.00 H new ATOM 0 HA THR A 55 -4.619 2.828 3.604 1.00 0.00 H new ATOM 0 HB THR A 55 -6.346 0.940 3.282 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.408 2.344 1.553 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.770 1.822 5.102 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.054 2.193 5.393 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.150 3.461 4.794 1.00 0.00 H new ATOM 820 N TRP A 56 -3.625 1.704 1.636 1.00 0.00 N ATOM 821 CA TRP A 56 -2.988 1.035 0.481 1.00 0.00 C ATOM 822 C TRP A 56 -2.590 -0.391 0.878 1.00 0.00 C ATOM 823 O TRP A 56 -1.435 -0.665 1.110 1.00 0.00 O ATOM 824 CB TRP A 56 -1.734 1.804 0.143 1.00 0.00 C ATOM 825 CG TRP A 56 -2.069 3.230 -0.096 1.00 0.00 C ATOM 826 CD1 TRP A 56 -2.297 4.154 0.863 1.00 0.00 C ATOM 827 CD2 TRP A 56 -2.214 3.905 -1.367 1.00 0.00 C ATOM 828 NE1 TRP A 56 -2.576 5.363 0.256 1.00 0.00 N ATOM 829 CE2 TRP A 56 -2.535 5.259 -1.127 1.00 0.00 C ATOM 830 CE3 TRP A 56 -2.096 3.467 -2.695 1.00 0.00 C ATOM 831 CZ2 TRP A 56 -2.735 6.154 -2.181 1.00 0.00 C ATOM 832 CZ3 TRP A 56 -2.297 4.359 -3.754 1.00 0.00 C ATOM 833 CH2 TRP A 56 -2.615 5.699 -3.500 1.00 0.00 C ATOM 0 H TRP A 56 -3.035 1.773 2.466 1.00 0.00 H new ATOM 0 HA TRP A 56 -3.673 1.002 -0.366 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.015 1.721 0.958 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.263 1.378 -0.743 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.266 3.977 1.928 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -2.786 6.224 0.761 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -1.849 2.436 -2.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.980 7.187 -1.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -2.206 4.012 -4.773 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.768 6.382 -4.322 1.00 0.00 H new ATOM 844 N VAL A 57 -3.519 -1.291 1.002 1.00 0.00 N ATOM 845 CA VAL A 57 -3.144 -2.675 1.429 1.00 0.00 C ATOM 846 C VAL A 57 -1.857 -3.124 0.710 1.00 0.00 C ATOM 847 O VAL A 57 -1.756 -3.009 -0.494 1.00 0.00 O ATOM 848 CB VAL A 57 -4.284 -3.640 1.090 1.00 0.00 C ATOM 849 CG1 VAL A 57 -3.792 -5.083 1.223 1.00 0.00 C ATOM 850 CG2 VAL A 57 -5.449 -3.412 2.056 1.00 0.00 C ATOM 0 H VAL A 57 -4.513 -1.138 0.830 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.967 -2.679 2.505 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.616 -3.462 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.605 -5.768 0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.961 -5.249 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.459 -5.261 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.261 -4.098 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.114 -3.590 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.803 -2.385 1.964 1.00 0.00 H new ATOM 860 N PRO A 58 -0.911 -3.627 1.476 1.00 0.00 N ATOM 861 CA PRO A 58 0.380 -4.106 0.945 1.00 0.00 C ATOM 862 C PRO A 58 0.197 -5.505 0.353 1.00 0.00 C ATOM 863 O PRO A 58 -0.492 -6.334 0.913 1.00 0.00 O ATOM 864 CB PRO A 58 1.293 -4.134 2.180 1.00 0.00 C ATOM 865 CG PRO A 58 0.358 -4.217 3.411 1.00 0.00 C ATOM 866 CD PRO A 58 -1.041 -3.768 2.940 1.00 0.00 C ATOM 0 HA PRO A 58 0.790 -3.483 0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.967 -4.990 2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.915 -3.240 2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.326 -5.233 3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.719 -3.576 4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.803 -4.503 3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.333 -2.826 3.405 1.00 0.00 H new ATOM 874 N ILE A 59 0.783 -5.774 -0.784 1.00 0.00 N ATOM 875 CA ILE A 59 0.597 -7.119 -1.397 1.00 0.00 C ATOM 876 C ILE A 59 1.813 -7.530 -2.224 1.00 0.00 C ATOM 877 O ILE A 59 2.090 -8.703 -2.380 1.00 0.00 O ATOM 878 CB ILE A 59 -0.612 -7.089 -2.331 1.00 0.00 C ATOM 879 CG1 ILE A 59 -0.532 -5.845 -3.234 1.00 0.00 C ATOM 880 CG2 ILE A 59 -1.905 -7.070 -1.508 1.00 0.00 C ATOM 881 CD1 ILE A 59 -1.182 -4.639 -2.547 1.00 0.00 C ATOM 0 H ILE A 59 1.375 -5.129 -1.308 1.00 0.00 H new ATOM 0 HA ILE A 59 0.455 -7.833 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.612 -7.982 -2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.510 -5.622 -3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.032 -6.044 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.763 -7.049 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.953 -7.964 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.919 -6.184 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.116 -3.769 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.229 -4.859 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.664 -4.430 -1.611 1.00 0.00 H new ATOM 893 N GLY A 60 2.526 -6.600 -2.796 1.00 0.00 N ATOM 894 CA GLY A 60 3.680 -7.009 -3.639 1.00 0.00 C ATOM 895 C GLY A 60 4.932 -6.216 -3.289 1.00 0.00 C ATOM 896 O GLY A 60 4.933 -5.374 -2.413 1.00 0.00 O ATOM 0 H GLY A 60 2.364 -5.596 -2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.872 -8.073 -3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.435 -6.860 -4.691 1.00 0.00 H new ATOM 900 N LEU A 61 6.001 -6.480 -3.988 1.00 0.00 N ATOM 901 CA LEU A 61 7.267 -5.752 -3.729 1.00 0.00 C ATOM 902 C LEU A 61 7.240 -4.427 -4.493 1.00 0.00 C ATOM 903 O LEU A 61 7.830 -3.451 -4.076 1.00 0.00 O ATOM 904 CB LEU A 61 8.450 -6.602 -4.201 1.00 0.00 C ATOM 905 CG LEU A 61 8.270 -8.050 -3.730 1.00 0.00 C ATOM 906 CD1 LEU A 61 9.538 -8.849 -4.040 1.00 0.00 C ATOM 907 CD2 LEU A 61 8.011 -8.074 -2.221 1.00 0.00 C ATOM 0 H LEU A 61 6.048 -7.175 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 61 7.374 -5.557 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.522 -6.570 -5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.382 -6.195 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 61 7.421 -8.494 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.410 -9.878 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.722 -8.837 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.386 -8.401 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.884 -9.105 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.858 -7.627 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.107 -7.507 -1.998 1.00 0.00 H new ATOM 919 N ALA A 62 6.550 -4.374 -5.606 1.00 0.00 N ATOM 920 CA ALA A 62 6.491 -3.094 -6.368 1.00 0.00 C ATOM 921 C ALA A 62 5.777 -3.279 -7.717 1.00 0.00 C ATOM 922 O ALA A 62 6.250 -2.800 -8.727 1.00 0.00 O ATOM 923 CB ALA A 62 7.914 -2.592 -6.611 1.00 0.00 C ATOM 0 H ALA A 62 6.032 -5.152 -6.014 1.00 0.00 H new ATOM 0 HA ALA A 62 5.926 -2.369 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.879 -1.656 -7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.410 -2.427 -5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.469 -3.335 -7.184 1.00 0.00 H new ATOM 929 N ILE A 63 4.626 -3.922 -7.738 1.00 0.00 N ATOM 930 CA ILE A 63 3.876 -4.083 -9.032 1.00 0.00 C ATOM 931 C ILE A 63 2.813 -5.212 -8.978 1.00 0.00 C ATOM 932 O ILE A 63 1.759 -5.055 -9.562 1.00 0.00 O ATOM 933 CB ILE A 63 4.865 -4.319 -10.199 1.00 0.00 C ATOM 934 CG1 ILE A 63 4.895 -3.060 -11.077 1.00 0.00 C ATOM 935 CG2 ILE A 63 4.448 -5.520 -11.062 1.00 0.00 C ATOM 936 CD1 ILE A 63 3.467 -2.683 -11.501 1.00 0.00 C ATOM 0 H ILE A 63 4.178 -4.339 -6.922 1.00 0.00 H new ATOM 0 HA ILE A 63 3.332 -3.154 -9.202 1.00 0.00 H new ATOM 0 HB ILE A 63 5.849 -4.530 -9.780 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.351 -2.235 -10.529 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.511 -3.236 -11.959 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.166 -5.654 -11.871 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.423 -6.419 -10.446 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.458 -5.340 -11.482 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.496 -1.789 -12.124 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.026 -3.504 -12.066 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.864 -2.488 -10.614 1.00 0.00 H new ATOM 948 N PRO A 64 3.096 -6.322 -8.329 1.00 0.00 N ATOM 949 CA PRO A 64 2.134 -7.444 -8.280 1.00 0.00 C ATOM 950 C PRO A 64 0.899 -7.123 -7.425 1.00 0.00 C ATOM 951 O PRO A 64 0.990 -6.593 -6.335 1.00 0.00 O ATOM 952 CB PRO A 64 2.953 -8.614 -7.727 1.00 0.00 C ATOM 953 CG PRO A 64 4.179 -7.998 -7.017 1.00 0.00 C ATOM 954 CD PRO A 64 4.353 -6.573 -7.585 1.00 0.00 C ATOM 0 HA PRO A 64 1.712 -7.670 -9.259 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.360 -9.207 -7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.265 -9.282 -8.530 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.027 -7.968 -5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.071 -8.597 -7.196 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.498 -5.842 -6.789 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.223 -6.508 -8.239 1.00 0.00 H new ATOM 962 N GLU A 65 -0.261 -7.435 -7.952 1.00 0.00 N ATOM 963 CA GLU A 65 -1.545 -7.153 -7.239 1.00 0.00 C ATOM 964 C GLU A 65 -1.612 -7.902 -5.903 1.00 0.00 C ATOM 965 O GLU A 65 -0.607 -8.225 -5.301 1.00 0.00 O ATOM 966 CB GLU A 65 -2.718 -7.593 -8.130 1.00 0.00 C ATOM 967 CG GLU A 65 -2.863 -9.117 -8.082 1.00 0.00 C ATOM 968 CD GLU A 65 -3.299 -9.632 -9.455 1.00 0.00 C ATOM 969 OE1 GLU A 65 -4.375 -9.257 -9.891 1.00 0.00 O ATOM 970 OE2 GLU A 65 -2.549 -10.390 -10.049 1.00 0.00 O ATOM 0 H GLU A 65 -0.373 -7.881 -8.862 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.603 -6.084 -7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.640 -7.120 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.549 -7.267 -9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.916 -9.574 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.596 -9.400 -7.326 1.00 0.00 H new ATOM 977 N ASN A 66 -2.807 -8.164 -5.436 1.00 0.00 N ATOM 978 CA ASN A 66 -2.980 -8.875 -4.137 1.00 0.00 C ATOM 979 C ASN A 66 -3.291 -10.352 -4.388 1.00 0.00 C ATOM 980 O ASN A 66 -3.910 -11.012 -3.578 1.00 0.00 O ATOM 981 CB ASN A 66 -4.139 -8.229 -3.370 1.00 0.00 C ATOM 982 CG ASN A 66 -5.469 -8.627 -4.015 1.00 0.00 C ATOM 983 OD1 ASN A 66 -5.750 -8.247 -5.134 1.00 0.00 O ATOM 984 ND2 ASN A 66 -6.304 -9.380 -3.353 1.00 0.00 N ATOM 0 H ASN A 66 -3.677 -7.912 -5.905 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.062 -8.802 -3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.120 -8.547 -2.327 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.031 -7.144 -3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.193 -9.650 -3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.068 -9.699 -2.413 1.00 0.00 H new ATOM 991 N ALA A 67 -2.865 -10.875 -5.503 1.00 0.00 N ATOM 992 CA ALA A 67 -3.136 -12.308 -5.804 1.00 0.00 C ATOM 993 C ALA A 67 -2.210 -12.770 -6.929 1.00 0.00 C ATOM 994 O ALA A 67 -1.260 -12.098 -7.276 1.00 0.00 O ATOM 995 CB ALA A 67 -4.594 -12.472 -6.239 1.00 0.00 C ATOM 0 H ALA A 67 -2.341 -10.372 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.956 -12.910 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.792 -13.521 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.253 -12.139 -5.437 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.777 -11.873 -7.131 1.00 0.00 H new ATOM 1001 N ALA A 68 -2.478 -13.910 -7.501 1.00 0.00 N ATOM 1002 CA ALA A 68 -1.610 -14.412 -8.602 1.00 0.00 C ATOM 1003 C ALA A 68 -0.173 -14.546 -8.094 1.00 0.00 C ATOM 1004 O ALA A 68 0.230 -15.585 -7.607 1.00 0.00 O ATOM 1005 CB ALA A 68 -1.652 -13.427 -9.773 1.00 0.00 C ATOM 0 H ALA A 68 -3.260 -14.516 -7.254 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.969 -15.386 -8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.017 -13.793 -10.580 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.677 -13.332 -10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.292 -12.453 -9.442 1.00 0.00 H new ATOM 1011 N ALA A 69 0.605 -13.502 -8.202 1.00 0.00 N ATOM 1012 CA ALA A 69 2.015 -13.571 -7.725 1.00 0.00 C ATOM 1013 C ALA A 69 2.032 -13.833 -6.217 1.00 0.00 C ATOM 1014 O ALA A 69 1.299 -13.224 -5.463 1.00 0.00 O ATOM 1015 CB ALA A 69 2.719 -12.243 -8.017 1.00 0.00 C ATOM 0 H ALA A 69 0.324 -12.606 -8.600 1.00 0.00 H new ATOM 0 HA ALA A 69 2.533 -14.379 -8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.750 -12.294 -7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.708 -12.054 -9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.200 -11.435 -7.501 1.00 0.00 H new ATOM 1021 N HIS A 70 2.864 -14.734 -5.772 1.00 0.00 N ATOM 1022 CA HIS A 70 2.930 -15.032 -4.313 1.00 0.00 C ATOM 1023 C HIS A 70 4.209 -14.433 -3.727 1.00 0.00 C ATOM 1024 O HIS A 70 4.339 -14.435 -2.513 1.00 0.00 O ATOM 1025 CB HIS A 70 2.935 -16.547 -4.098 1.00 0.00 C ATOM 1026 CG HIS A 70 3.164 -16.844 -2.641 1.00 0.00 C ATOM 1027 ND1 HIS A 70 2.452 -16.208 -1.636 1.00 0.00 N ATOM 1028 CD2 HIS A 70 4.023 -17.706 -2.006 1.00 0.00 C ATOM 1029 CE1 HIS A 70 2.892 -16.693 -0.460 1.00 0.00 C ATOM 1030 NE2 HIS A 70 3.850 -17.609 -0.628 1.00 0.00 N ATOM 1031 OXT HIS A 70 5.038 -13.982 -4.501 1.00 0.00 O ATOM 0 H HIS A 70 3.501 -15.277 -6.355 1.00 0.00 H new ATOM 0 HA HIS A 70 2.062 -14.597 -3.817 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.987 -16.975 -4.423 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.716 -17.009 -4.702 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.726 -18.360 -2.500 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.516 -16.380 0.503 1.00 0.00 H new ATOM 0 HE2 HIS A 70 4.347 -18.126 0.097 1.00 0.00 H new TER 1039 HIS A 70